| 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 | 46.7 | Very low | 69.2 | Low | 248 Ų | 248 | 141.4 Ų | 141.4 | 100% | 1.222 | 70% | 0.697 | S | S | * | * | 0 | 124.2 | 0 | -145.9 | 168.6 | -172.9 | 0 | 0 | 106.6 | |||||
| 2 | K | 65.5 | Low | 68.2 | Low | 193 Ų | 193 | 139.4 Ų | 139.4 | 84% | 0.839 | 68% | 0.681 | S | S | * | * | trans | -75.7 | 133.1 | 178.9 | -75.3 | 177 | 177.7 | 174.4 | 0 | 108.5 | R4 | K2-R4 PolarHBondContact O-N 3.36Š| ||
| 3 | D | 72.3 | Confident | 67.1 | Low | 129 Ų | 129 | 140.6 Ų | 140.6 | 69% | 0.69 | 69% | 0.693 | S | S | * | * | trans | -68.1 | 115 | 179 | -173.1 | 2.5 | 0 | 0 | 0 | 109.7 | T5 | D3-T5 VanDerWaalsContact CG-OG1 3.29Å; D3-T5 VanDerWaalsContact OD1-CB 3.32Å; D3-T5 WeakPolarHBondContact OD1-CB 3.47Å; D3-T5 WeakPolarHBondContact OD1-CG2 3.1Å; D3-T5 PolarHBondContact OD1-N 3.1Å; D3-T5 PolarHBondContact OD1-OG1 2.64Å; D3-T5 PolarHBondContact OD2-OG1 3.11Å | ||
| 4 | R | 80.6 | Confident | 66.3 | Low | 163 Ų | 163 | 136.9 Ų | 136.9 | 62% | 0.615 | 69% | 0.687 | S | S | * | * | trans | -112.6 | 11.7 | 179.3 | -63.9 | -177.7 | 70 | -165.2 | -1.6 | 111.8 | K2 Q6 E7 L8 | K2-R4 PolarHBondContact O-N 3.36Å; R4-Q6 PolarHBondContact O-N 3.13Å; R4-E7 IonicContact CZ-OE2 3.64Å; R4-E7 VanDerWaalsContact CZ-OE2 3.3Å; R4-E7 IonicContact NE-OE2 3.77Å; R4-E7 PolarHBondContact NE-OE2 3.43Å; R4-E7 IonicContact NH2-OE2 3.98Å; R4-E7 PolarHBondContact NH2-OE2 2.82Å; R4-E7 PolarHBondContact O-N 3.09Å; R4-L8 PolarHBondContact O-N 3.43Å | ||
| 5 | T | 78 | Confident | 65.1 | Low | 79 Ų | 79 | 137.9 Ų | 137.9 | 49% | 0.485 | 70% | 0.696 | S | S | . | * | H | α-helix | trans | -59 | -30.8 | -179.7 | 49.1 | 0 | 0 | 0 | 0 | 112.4 | D3 L8 R9 | D3-T5 VanDerWaalsContact CG-OG1 3.29Å; D3-T5 VanDerWaalsContact OD1-CB 3.32Å; D3-T5 WeakPolarHBondContact OD1-CB 3.47Å; D3-T5 WeakPolarHBondContact OD1-CG2 3.1Å; D3-T5 PolarHBondContact OD1-N 3.1Å; D3-T5 PolarHBondContact OD1-OG1 2.64Å; D3-T5 PolarHBondContact OD2-OG1 3.11Å; T5-L8 PolarHBondContact O-N 2.95Å; T5-R9 WeakPolarHBondContact O-CG 3.35Å; T5-R9 PolarHBondContact O-N 2.88Å; T5-R9 VanDerWaalsContact O-N 3.15Å |
| 6 | Q | 73.6 | Confident | 64.3 | Low | 163 Ų | 163 | 139.2 Ų | 139.2 | 76% | 0.762 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -74.8 | -33.9 | 180 | -154.7 | 170.4 | 9.3 | 0 | 0 | 113.1 | R4 L8 S10 | R4-Q6 PolarHBondContact O-N 3.13Å; Q6-L8 VanDerWaalsContact C-N 3.34Å; Q6-S10 PolarHBondContact O-N 3.05Å; Q6-S10 PolarHBondContact O-OG 3.48Å |
| 7 | E | 75.7 | Confident | 63.3 | Low | 111 Ų | 111 | 140.1 Ų | 140.1 | 52% | 0.519 | 71% | 0.713 | S | S | . | * | H | α-helix | trans | -67.2 | -37.4 | 172.7 | -68.7 | 178.4 | -179.8 | 0 | 0 | 111 | R4 S10 A11 | R4-E7 IonicContact CZ-OE2 3.64Å; R4-E7 VanDerWaalsContact CZ-OE2 3.3Å; R4-E7 IonicContact NE-OE2 3.77Å; R4-E7 PolarHBondContact NE-OE2 3.43Å; R4-E7 IonicContact NH2-OE2 3.98Å; R4-E7 PolarHBondContact NH2-OE2 2.82Å; R4-E7 PolarHBondContact O-N 3.09Å; E7-S10 WeakPolarHBondContact CA-OG 3.35Å; E7-S10 PolarHBondContact O-OG 2.91Å; E7-A11 PolarHBondContact O-N 3.39Å; E7-A11 VanDerWaalsContact O-N 3.17Å |
| 8 | L | 69.5 | Low | 62.6 | Low | 126 Ų | 126 | 139.9 Ų | 139.9 | 66% | 0.66 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -69.8 | -35.1 | 178.4 | -71.5 | 167.5 | 0 | 0 | 0 | 112.6 | R4 T5 Q6 K12 | R4-L8 PolarHBondContact O-N 3.43Å; T5-L8 PolarHBondContact O-N 2.95Å; Q6-L8 VanDerWaalsContact C-N 3.34Å; L8-K12 PolarHBondContact O-N 3.17Å |
| 9 | R | 69.5 | Low | 61.8 | Low | 190 Ų | 190 | 142.2 Ų | 142.2 | 72% | 0.717 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -68.4 | -40.7 | 175.5 | -75.1 | -177.4 | -178.4 | -164.7 | 1 | 112.3 | T5 A11 K12 | T5-R9 WeakPolarHBondContact O-CG 3.35Å; T5-R9 PolarHBondContact O-N 2.88Å; T5-R9 VanDerWaalsContact O-N 3.15Å; R9-A11 VanDerWaalsContact C-N 3.29Å; R9-A11 PolarHBondContact O-N 3.25Å; R9-K12 WeakPolarHBondContact O-CB 2.96Å; R9-K12 PolarHBondContact O-N 3.47Å; R9-K12 VanDerWaalsContact O-N 3.15Å |
| 10 | S | 66.9 | Low | 61 | Low | 85 Ų | 85 | 140.9 Ų | 140.9 | 59% | 0.594 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -72 | -23.4 | 179.9 | 33.6 | 0 | 0 | 0 | 0 | 113.3 | Q6 E7 | Q6-S10 PolarHBondContact O-N 3.05Å; Q6-S10 PolarHBondContact O-OG 3.48Å; E7-S10 WeakPolarHBondContact CA-OG 3.35Å; E7-S10 PolarHBondContact O-OG 2.91Å |
| 11 | A | 63.3 | Low | 60.4 | Low | 68 Ų | 68 | 139.6 Ų | 139.6 | 56% | 0.562 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | -12.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | E7 R9 S14 | E7-A11 PolarHBondContact O-N 3.39Å; E7-A11 VanDerWaalsContact O-N 3.17Å; R9-A11 VanDerWaalsContact C-N 3.29Å; R9-A11 PolarHBondContact O-N 3.25Å; A11-S14 PolarHBondContact O-OG 3.17Å |
| 12 | K | 56.6 | Low | 60.1 | Low | 118 Ų | 118 | 136 Ų | 136 | 51% | 0.513 | 69% | 0.694 | S | S | . | * | G | 310 helix | trans | -87.6 | -18.7 | -174.3 | -152.1 | 179.2 | -177.9 | -168.7 | 0 | 113.6 | L8 R9 S14 E18 | L8-K12 PolarHBondContact O-N 3.17Å; R9-K12 WeakPolarHBondContact O-CB 2.96Å; R9-K12 PolarHBondContact O-N 3.47Å; R9-K12 VanDerWaalsContact O-N 3.15Å; K12-S14 PolarHBondContact O-N 3.41Å; K12-E18 WeakPolarHBondContact CE-OE1 3.45Å; K12-E18 WeakPolarHBondContact CE-OE2 3.46Å; K12-E18 IonicContact NZ-OE1 2.57Å; K12-E18 PolarHBondContact NZ-OE1 3.29Å; K12-E18 IonicContact NZ-OE2 3.29Å; K12-E18 PolarHBondContact NZ-OE2 3.02Å |
| 13 | D | 54.6 | Low | 59.5 | Low | 155 Ų | 155 | 131.9 Ų | 131.9 | 83% | 0.829 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -78.6 | 5.3 | -179.4 | -76.8 | -17.8 | 0 | 0 | 0 | 113.8 | ||
| 14 | S | 55.2 | Low | 58.3 | Low | 88 Ų | 88 | 133.1 Ų | 133.1 | 62% | 0.615 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -116.9 | 2 | -172.1 | 58.2 | 0 | 0 | 0 | 0 | 117.2 | A11 K12 | A11-S14 PolarHBondContact O-OG 3.17Å; K12-S14 PolarHBondContact O-N 3.41Å |
| 15 | D | 49 | Very low | 57 | Low | 152 Ų | 152 | 135.7 Ų | 135.7 | 81% | 0.813 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -142.3 | 119.1 | 171.9 | -88.4 | -36.2 | 0 | 0 | 0 | 110.6 | ||
| 16 | D | 51.2 | Low | 55.9 | Low | 159 Ų | 159 | 138.1 Ų | 138.1 | 85% | 0.85 | 71% | 0.712 | S | S | * | * | trans | -68 | 159.4 | -179 | -85.8 | -39.7 | 0 | 0 | 0 | 114.1 | ||||
| 17 | D | 48.7 | Very low | 55.7 | Low | 155 Ų | 155 | 137.6 Ų | 137.6 | 83% | 0.829 | 71% | 0.709 | S | S | * | * | trans | 74.7 | 65 | 167.6 | -62.6 | -26.8 | 0 | 0 | 0 | 117.6 | E19 | D17-E19 PolarHBondContact O-N 2.85Å; D17-E19 VanDerWaalsContact O-N 3.13Å | ||
| 18 | E | 49 | Very low | 55.9 | Low | 136 Ų | 136 | 137.7 Ų | 137.7 | 64% | 0.636 | 71% | 0.708 | S | S | * | * | trans | -68.5 | 102.5 | 153 | -77.1 | -168.5 | 153.4 | 0 | 0 | 109.1 | K12 V20 | K12-E18 WeakPolarHBondContact CE-OE1 3.45Å; K12-E18 WeakPolarHBondContact CE-OE2 3.46Å; K12-E18 IonicContact NZ-OE1 2.57Å; K12-E18 PolarHBondContact NZ-OE1 3.29Å; K12-E18 IonicContact NZ-OE2 3.29Å; K12-E18 PolarHBondContact NZ-OE2 3.02Å; E18-V20 PolarHBondContact O-N 3.31Å | ||
| 19 | E | 48.3 | Very low | 56.6 | Low | 183 Ų | 183 | 132.4 Ų | 132.4 | 86% | 0.855 | 68% | 0.68 | S | S | * | * | trans | -54.9 | 99.2 | 151.8 | -112.4 | -175.9 | 173.6 | 0 | 0 | 106.4 | D17 V21 | D17-E19 PolarHBondContact O-N 2.85Å; D17-E19 VanDerWaalsContact O-N 3.13Å; E19-V21 PolarHBondContact O-N 2.76Å | ||
| 20 | V | 45.7 | Very low | 57.6 | Low | 116 Ų | 116 | 126.8 Ų | 126.8 | 70% | 0.703 | 66% | 0.664 | S | S | * | * | trans | -64.3 | 94.2 | 173.1 | -177.6 | 0 | 0 | 0 | 0 | 106 | E18 Q22 | E18-V20 PolarHBondContact O-N 3.31Å; V20-Q22 PolarHBondContact O-N 3.29Å | ||
| 21 | V | 48.1 | Very low | 58.6 | Low | 114 Ų | 114 | 129.6 Ų | 129.6 | 69% | 0.691 | 67% | 0.668 | S | S | * | * | trans | -61.1 | 98.6 | 163.5 | -179.5 | 0 | 0 | 0 | 0 | 104.8 | E19 V23 | E19-V21 PolarHBondContact O-N 2.76Å; V21-V23 HydrophobicContact CG1-CG2 4.14Å; V21-V23 PolarHBondContact O-N 3.35Å | ||
| 22 | Q | 40.6 | Very low | 59.9 | Low | 172 Ų | 172 | 126.6 Ų | 126.6 | 80% | 0.804 | 64% | 0.642 | S | S | * | * | trans | -62.1 | 88.7 | 163.7 | -78.7 | -176.2 | -19.5 | 0 | 0 | 105.9 | V20 D24 | V20-Q22 PolarHBondContact O-N 3.29Å; Q22-D24 PolarHBondContact O-N 3.19Å; Q22-D24 VanDerWaalsContact O-N 3.11Å | ||
| 23 | V | 52.3 | Low | 61.7 | Low | 107 Ų | 107 | 124.6 Ų | 124.6 | 65% | 0.648 | 63% | 0.634 | S | S | * | * | trans | -64.1 | 108.9 | 158.6 | -177.6 | 0 | 0 | 0 | 0 | 103.5 | V21 R25 | V21-V23 HydrophobicContact CG1-CG2 4.14Å; V21-V23 PolarHBondContact O-N 3.35Å; V23-R25 PolarHBondContact O-N 2.89Å | ||
| 24 | D | 47.4 | Very low | 63.6 | Low | 156 Ų | 156 | 123.9 Ų | 123.9 | 83% | 0.834 | 63% | 0.625 | S | S | * | * | trans | -55.8 | 90.8 | 165.7 | -108.7 | -23.3 | 0 | 0 | 0 | 106.6 | Q22 D26 | Q22-D24 PolarHBondContact O-N 3.19Å; Q22-D24 VanDerWaalsContact O-N 3.11Å; D24-D26 VanDerWaalsContact C-N 3.3Å | ||
| 25 | R | 53.6 | Low | 65.4 | Low | 216 Ų | 216 | 122.7 Ų | 122.7 | 82% | 0.815 | 61% | 0.61 | S | S | * | * | trans | -89.6 | -4 | -169.2 | -153.8 | -178.8 | -171.3 | -160.6 | 1.3 | 111.7 | V23 H27 | V23-R25 PolarHBondContact O-N 2.89Å; R25-H27 PolarHBondContact O-N 3.21Å | ||
| 26 | D | 54.2 | Low | 67.6 | Low | 131 Ų | 131 | 116 Ų | 116 | 70% | 0.701 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | -16 | -164.2 | -89.2 | 1.2 | 0 | 0 | 0 | 114.2 | D24 | D24-D26 VanDerWaalsContact C-N 3.3Š|
| 27 | H | 70.9 | Confident | 69.8 | Low | 152 Ų | 152 | 112.9 Ų | 112.9 | 70% | 0.704 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -147 | 49.2 | -177.5 | -64.9 | -54.6 | 0 | 0 | 0 | 115.4 | R25 M29 D30 | R25-H27 PolarHBondContact O-N 3.21Å; H27-M29 PolarHBondContact O-N 3.42Å; H27-D30 WeakPolarHBondContact CA-OD2 3.44Å; H27-D30 IonicContact CE1-OD2 3.59Å; H27-D30 IonicContact CG-OD2 2.76Å; H27-D30 IonicContact ND1-OD2 3.13Å; H27-D30 PolarHBondContact ND1-OD2 2.92Å |
| 28 | F | 79.9 | Confident | 72 | Confident | 112 Ų | 112 | 108.9 Ų | 108.9 | 49% | 0.491 | 53% | 0.531 | S | S | . | . | S | Bend | trans | -81.7 | 107.4 | 174 | 178.5 | -101.6 | 0 | 0 | 0 | 111 | D30 F33 I114 | F28-D30 PolarHBondContact O-N 3.32Å; F28-F33 HydrophobicContact CD1-CE2 4.32Å; F28-F33 HydrophobicContact CE1-CE2 4.49Å; F28-I114 HydrophobicContact CE1-CD1 3.74Å; F28-I114 HydrophobicContact CZ-CD1 3.81Å |
| 29 | M | 83.7 | Confident | 74.3 | Confident | 16 Ų | 16 | 102.4 Ų | 102.4 | 8% | 0.079 | 50% | 0.501 | C | S | . | . | S | Bend | trans | 59.9 | 20.2 | 176.2 | -62.2 | -173.1 | 81.8 | 0 | 0 | 115.3 | H27 E31 F32 F33 D111 I114 R115 | H27-M29 PolarHBondContact O-N 3.42Å; M29-E31 VanDerWaalsContact C-N 3.34Å; M29-E31 PolarHBondContact O-N 2.87Å; M29-F32 HydrophobicContact CB-CB 4.28Å; M29-F32 HydrophobicContact CE-CB 4.12Å; M29-F32 HydrophobicContact CE-CD1 3.32Å; M29-F32 HydrophobicContact CE-CE1 3.86Å; M29-F32 HydrophobicContact CE-CG 3.75Å; M29-F32 WeakPolarHBondContact O-CA 3.34Å; M29-F32 WeakPolarHBondContact O-CB 3.39Å; M29-F32 PolarHBondContact O-N 3.39Å; M29-F32 HydrophobicContact SD-CD1 4.48Å; M29-F33 HydrophobicContact CB-CD2 3.78Å; M29-F33 HydrophobicContact CB-CE2 3.57Å; M29-F33 HydrophobicContact CB-CZ 4.31Å; M29-F33 WeakPolarHBondContact O-CD2 3.47Å; M29-F33 PolarHBondContact O-N 2.79Å; M29-F33 HydrophobicContact SD-CZ 4.43Å; M29-D111 WeakPolarHBondContact CE-OD1 3.5Å; M29-D111 WeakPolarHBondContact CG-OD1 3.47Å; M29-D111 HydrophobicContact SD-CB 4.34Å; M29-I114 HydrophobicContact CE-CB 4.21Å; M29-I114 HydrophobicContact CE-CG2 3.94Å; M29-I114 HydrophobicContact SD-CB 3.98Å; M29-I114 HydrophobicContact SD-CD1 3.89Å; M29-I114 HydrophobicContact SD-CG2 3.8Å; M29-R115 HydrophobicContact CE-CG 3.58Å |
| 30 | D | 89.6 | Confident | 76.7 | Confident | 72 Ų | 72 | 99.6 Ų | 99.6 | 39% | 0.385 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -51.5 | -48.6 | -175 | -71.6 | 8.1 | 0 | 0 | 0 | 113.3 | H27 F28 F32 F33 E34 | H27-D30 WeakPolarHBondContact CA-OD2 3.44Å; H27-D30 IonicContact CE1-OD2 3.59Å; H27-D30 IonicContact CG-OD2 2.76Å; H27-D30 IonicContact ND1-OD2 3.13Å; H27-D30 PolarHBondContact ND1-OD2 2.92Å; F28-D30 PolarHBondContact O-N 3.32Å; D30-F32 VanDerWaalsContact C-N 3.28Å; D30-F32 PolarHBondContact O-N 3.12Å; D30-F33 PolarHBondContact O-N 3.26Å; D30-E34 WeakPolarHBondContact O-CB 3.25Å; D30-E34 PolarHBondContact O-N 3.22Å |
| 31 | E | 89.4 | Confident | 79.1 | Confident | 143 Ų | 143 | 98 Ų | 98 | 67% | 0.668 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -60.4 | -39.4 | 178.2 | -174.8 | -176.2 | 175.1 | 0 | 0 | 111.8 | M29 E34 Q35 | M29-E31 VanDerWaalsContact C-N 3.34Å; M29-E31 PolarHBondContact O-N 2.87Å; E31-E34 PolarHBondContact O-N 2.98Å; E31-Q35 WeakPolarHBondContact O-CG 3.48Å; E31-Q35 PolarHBondContact O-N 2.84Å |
| 32 | F | 90.8 | Very high | 81.5 | Confident | 5 Ų | 5 | 93.2 Ų | 93.2 | 2% | 0.022 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -68.4 | -42.7 | 177.3 | 172.8 | -101.9 | 0 | 0 | 0 | 111.5 | M29 D30 E34 Q35 V36 I95 I114 R115 Q118 | M29-F32 HydrophobicContact CB-CB 4.28Å; M29-F32 HydrophobicContact CE-CB 4.12Å; M29-F32 HydrophobicContact CE-CD1 3.32Å; M29-F32 HydrophobicContact CE-CE1 3.86Å; M29-F32 HydrophobicContact CE-CG 3.75Å; M29-F32 WeakPolarHBondContact O-CA 3.34Å; M29-F32 WeakPolarHBondContact O-CB 3.39Å; M29-F32 PolarHBondContact O-N 3.39Å; M29-F32 HydrophobicContact SD-CD1 4.48Å; D30-F32 VanDerWaalsContact C-N 3.28Å; D30-F32 PolarHBondContact O-N 3.12Å; F32-E34 VanDerWaalsContact C-N 3.33Å; F32-E34 PolarHBondContact O-N 2.96Å; F32-Q35 WeakPolarHBondContact O-CB 3.41Å; F32-Q35 PolarHBondContact O-N 3.47Å; F32-V36 HydrophobicContact CD1-CG2 4.19Å; F32-V36 HydrophobicContact CD2-CG2 4.49Å; F32-V36 HydrophobicContact CE1-CG2 3.64Å; F32-V36 HydrophobicContact CE2-CG2 3.96Å; F32-V36 HydrophobicContact CZ-CG2 3.49Å; F32-V36 VanDerWaalsContact CZ-CG2 3.49Å; F32-V36 WeakPolarHBondContact O-CG2 3.46Å; F32-V36 PolarHBondContact O-N 3.06Å; F32-I95 HydrophobicContact CE2-CD1 4.09Å; F32-I95 HydrophobicContact CE2-CG1 4.25Å; F32-I95 HydrophobicContact CE2-CG2 3.96Å; F32-I114 HydrophobicContact CE1-CG2 4.05Å; F32-R115 HydrophobicContact CD1-CG 4.48Å; F32-R115 HydrophobicContact CD2-CG 4.08Å; F32-R115 HydrophobicContact CE1-CG 4.25Å; F32-R115 HydrophobicContact CE2-CB 4.24Å; F32-R115 HydrophobicContact CE2-CG 3.85Å; F32-R115 HydrophobicContact CG-CG 4.39Å; F32-R115 HydrophobicContact CZ-CB 4.14Å; F32-R115 HydrophobicContact CZ-CG 3.94Å; F32-Q118 HydrophobicContact CE1-CB 4.04Å; F32-Q118 HydrophobicContact CE1-CG 3.95Å; F32-Q118 HydrophobicContact CZ-CB 3.75Å; F32-Q118 HydrophobicContact CZ-CG 4.2Å |
| 33 | F | 93.4 | Very high | 84.2 | Confident | 76 Ų | 76 | 85 Ų | 85 | 33% | 0.333 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -67.6 | -33.5 | 177.2 | -71.7 | -54.4 | 0 | 0 | 0 | 112.5 | F28 M29 D30 V36 E37 I114 | F28-F33 HydrophobicContact CD1-CE2 4.32Å; F28-F33 HydrophobicContact CE1-CE2 4.49Å; M29-F33 HydrophobicContact CB-CD2 3.78Å; M29-F33 HydrophobicContact CB-CE2 3.57Å; M29-F33 HydrophobicContact CB-CZ 4.31Å; M29-F33 WeakPolarHBondContact O-CD2 3.47Å; M29-F33 PolarHBondContact O-N 2.79Å; M29-F33 HydrophobicContact SD-CZ 4.43Å; D30-F33 PolarHBondContact O-N 3.26Å; F33-V36 PolarHBondContact O-N 3.45Å; F33-E37 WeakPolarHBondContact O-CB 3.05Å; F33-E37 PolarHBondContact O-N 3.27Å; F33-I114 HydrophobicContact CE1-CG2 4.04Å; F33-I114 HydrophobicContact CZ-CG2 4Å |
| 34 | E | 94.3 | Very high | 86.4 | Confident | 141 Ų | 141 | 83.2 Ų | 83.2 | 66% | 0.659 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -62.3 | -43.9 | 170.9 | -172.3 | 175.7 | -170.2 | 0 | 0 | 111.1 | D30 E31 F32 E37 E38 | D30-E34 WeakPolarHBondContact O-CB 3.25Å; D30-E34 PolarHBondContact O-N 3.22Å; E31-E34 PolarHBondContact O-N 2.98Å; F32-E34 VanDerWaalsContact C-N 3.33Å; F32-E34 PolarHBondContact O-N 2.96Å; E34-E37 PolarHBondContact O-N 3.21Å; E34-E38 WeakPolarHBondContact O-CB 3.31Å; E34-E38 PolarHBondContact O-N 3.29Å |
| 35 | Q | 94.4 | Very high | 88.8 | Confident | 63 Ų | 63 | 79.4 Ų | 79.4 | 29% | 0.294 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62.6 | -42.8 | 174.3 | -70.5 | 177.3 | 13.7 | 0 | 0 | 112.5 | E31 F32 E38 I39 | E31-Q35 WeakPolarHBondContact O-CG 3.48Å; E31-Q35 PolarHBondContact O-N 2.84Å; F32-Q35 WeakPolarHBondContact O-CB 3.41Å; F32-Q35 PolarHBondContact O-N 3.47Å; Q35-E38 PolarHBondContact O-N 2.82Å; Q35-I39 VanDerWaalsContact O-CG1 3.29Å; Q35-I39 WeakPolarHBondContact O-CG1 3.08Å; Q35-I39 PolarHBondContact O-N 3.3Å |
| 36 | V | 94.9 | Very high | 90.8 | Very high | 12 Ų | 12 | 69.1 Ų | 69.1 | 7% | 0.073 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.4 | -46.8 | 176.6 | 161.6 | 0 | 0 | 0 | 0 | 111 | F32 F33 I39 R40 Q118 L122 | F32-V36 HydrophobicContact CD1-CG2 4.19Å; F32-V36 HydrophobicContact CD2-CG2 4.49Å; F32-V36 HydrophobicContact CE1-CG2 3.64Å; F32-V36 HydrophobicContact CE2-CG2 3.96Å; F32-V36 HydrophobicContact CZ-CG2 3.49Å; F32-V36 VanDerWaalsContact CZ-CG2 3.49Å; F32-V36 WeakPolarHBondContact O-CG2 3.46Å; F32-V36 PolarHBondContact O-N 3.06Å; F33-V36 PolarHBondContact O-N 3.45Å; V36-I39 PolarHBondContact O-N 2.91Å; V36-R40 WeakPolarHBondContact O-CB 3.42Å; V36-R40 PolarHBondContact O-N 2.92Å; V36-Q118 HydrophobicContact CG2-CB 4.03Å; V36-Q118 HydrophobicContact CG2-CG 4.36Å; V36-L122 HydrophobicContact CB-CD1 4.31Å; V36-L122 HydrophobicContact CG1-CD1 4.1Å; V36-L122 HydrophobicContact CG2-CD1 4.12Å |
| 37 | E | 95.8 | Very high | 92.9 | Very high | 92 Ų | 92 | 65.4 Ų | 65.4 | 43% | 0.43 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -67 | -38.9 | 179.9 | -171.1 | 58.5 | -159.2 | 0 | 0 | 111.2 | F33 E34 I39 R40 V41 | F33-E37 WeakPolarHBondContact O-CB 3.05Å; F33-E37 PolarHBondContact O-N 3.27Å; E34-E37 PolarHBondContact O-N 3.21Å; E37-I39 VanDerWaalsContact C-N 3.34Å; E37-I39 PolarHBondContact O-N 3.45Å; E37-R40 WeakPolarHBondContact O-CB 3.5Å; E37-R40 PolarHBondContact O-N 3.12Å; E37-R40 IonicContact OE2-NH1 3.69Å; E37-V41 WeakPolarHBondContact O-CG2 3.5Å; E37-V41 PolarHBondContact O-N 3.3Å |
| 38 | E | 96.6 | Very high | 94.2 | Very high | 72 Ų | 72 | 63.9 Ų | 63.9 | 34% | 0.336 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.3 | -41.4 | 174.8 | -164.6 | -173.6 | 155.1 | 0 | 0 | 112.1 | E34 Q35 R40 C42 K87 K91 | E34-E38 WeakPolarHBondContact O-CB 3.31Å; E34-E38 PolarHBondContact O-N 3.29Å; Q35-E38 PolarHBondContact O-N 2.82Å; E38-R40 VanDerWaalsContact C-N 3.35Å; E38-C42 PolarHBondContact O-N 3.04Å; E38-C42 PolarHBondContact O-SG 2.86Å; E38-C42 VanDerWaalsContact O-SG 3.35Å; E38-K87 WeakPolarHBondContact OE1-CE 3.3Å; E38-K87 IonicContact OE1-NZ 2.68Å; E38-K87 PolarHBondContact OE1-NZ 3.34Å; E38-K91 WeakPolarHBondContact OE1-CE 3.27Å; E38-K91 IonicContact OE1-NZ 3.62Å; E38-K91 PolarHBondContact OE1-NZ 2.83Å; E38-K91 WeakPolarHBondContact OE2-CE 3.38Å; E38-K91 IonicContact OE2-NZ 2.71Å; E38-K91 PolarHBondContact OE2-NZ 3.29Å |
| 39 | I | 97.1 | Very high | 95 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.8 | -45 | 174.6 | -67.8 | 166.4 | 0 | 0 | 0 | 110.3 | Q35 V36 E37 V41 C42 I43 V88 K91 L92 I95 L122 | Q35-I39 VanDerWaalsContact O-CG1 3.29Å; Q35-I39 WeakPolarHBondContact O-CG1 3.08Å; Q35-I39 PolarHBondContact O-N 3.3Å; V36-I39 PolarHBondContact O-N 2.91Å; E37-I39 VanDerWaalsContact C-N 3.34Å; E37-I39 PolarHBondContact O-N 3.45Å; I39-V41 PolarHBondContact O-N 2.92Å; I39-C42 PolarHBondContact O-N 2.96Å; I39-I43 HydrophobicContact CG2-CD1 3.74Å; I39-I43 HydrophobicContact CG2-CG1 4.29Å; I39-I43 WeakPolarHBondContact O-CG1 3.43Å; I39-I43 PolarHBondContact O-N 3.02Å; I39-V88 HydrophobicContact CG2-CG1 4.07Å; I39-K91 HydrophobicContact CD1-CB 3.65Å; I39-K91 HydrophobicContact CG1-CB 3.66Å; I39-K91 HydrophobicContact CG1-CD 3.78Å; I39-K91 HydrophobicContact CG1-CG 4.37Å; I39-L92 HydrophobicContact CD1-CD2 4.25Å; I39-L92 HydrophobicContact CG2-CD2 4.41Å; I39-I95 HydrophobicContact CD1-CD1 3.52Å; I39-L122 HydrophobicContact CB-CD1 4.09Å; I39-L122 HydrophobicContact CD1-CD1 4.15Å; I39-L122 HydrophobicContact CG2-CB 4.21Å; I39-L122 HydrophobicContact CG2-CD1 3.95Å; I39-L122 HydrophobicContact CG2-CD2 4.15Å; I39-L122 HydrophobicContact CG2-CG 4.35Å |
| 40 | R | 97.3 | Very high | 95.6 | Very high | 123 Ų | 123 | 58.3 Ų | 58.3 | 46% | 0.464 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -58.9 | -47.7 | 179.2 | -174.6 | -175.9 | -179.9 | 178.7 | 3.6 | 111.7 | V36 E37 E38 C42 I43 D44 L122 | V36-R40 WeakPolarHBondContact O-CB 3.42Å; V36-R40 PolarHBondContact O-N 2.92Å; E37-R40 WeakPolarHBondContact O-CB 3.5Å; E37-R40 PolarHBondContact O-N 3.12Å; E37-R40 IonicContact OE2-NH1 3.69Å; E38-R40 VanDerWaalsContact C-N 3.35Å; R40-C42 VanDerWaalsContact C-N 3.3Å; R40-C42 PolarHBondContact O-N 3.22Å; R40-I43 PolarHBondContact O-N 3.49Å; R40-I43 VanDerWaalsContact O-N 3.15Å; R40-D44 PolarHBondContact O-N 3.08Å; R40-L122 HydrophobicContact CB-CD2 4.29Å |
| 41 | V | 97.9 | Very high | 96 | Very high | 84 Ų | 84 | 58.9 Ų | 58.9 | 51% | 0.509 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -59.9 | -40.9 | 176.3 | 170.6 | 0 | 0 | 0 | 0 | 111.1 | E37 I39 D44 K45 | E37-V41 WeakPolarHBondContact O-CG2 3.5Å; E37-V41 PolarHBondContact O-N 3.3Å; I39-V41 PolarHBondContact O-N 2.92Å; V41-D44 PolarHBondContact O-N 3.02Å; V41-K45 WeakPolarHBondContact O-CB 3.47Å; V41-K45 PolarHBondContact O-N 2.68Å |
| 42 | C | 97.9 | Very high | 96.3 | Very high | 13 Ų | 13 | 55.2 Ų | 55.2 | 9% | 0.088 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.7 | -39.1 | 175.4 | -71.9 | 0 | 0 | 0 | 0 | 112.9 | E38 I39 R40 K45 L46 T84 V88 | E38-C42 PolarHBondContact O-N 3.04Å; E38-C42 PolarHBondContact O-SG 2.86Å; E38-C42 VanDerWaalsContact O-SG 3.35Å; I39-C42 PolarHBondContact O-N 2.96Å; R40-C42 VanDerWaalsContact C-N 3.3Å; R40-C42 PolarHBondContact O-N 3.22Å; C42-K45 PolarHBondContact O-N 3.38Å; C42-L46 WeakPolarHBondContact O-CG 3.27Å; C42-L46 PolarHBondContact O-N 3.3Å; C42-T84 HydrophobicContact CB-CG2 3.81Å; C42-T84 WeakPolarHBondContact O-CG2 3.33Å; C42-V88 HydrophobicContact CB-CG2 3.44Å; C42-V88 VanDerWaalsContact CB-CG2 3.44Å |
| 43 | I | 97.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.3 | -41.7 | 175.6 | -68 | 168.8 | 0 | 0 | 0 | 110.9 | I39 R40 K45 L46 S47 V88 L122 K125 F126 V129 | I39-I43 HydrophobicContact CG2-CD1 3.74Å; I39-I43 HydrophobicContact CG2-CG1 4.29Å; I39-I43 WeakPolarHBondContact O-CG1 3.43Å; I39-I43 PolarHBondContact O-N 3.02Å; R40-I43 PolarHBondContact O-N 3.49Å; R40-I43 VanDerWaalsContact O-N 3.15Å; I43-K45 VanDerWaalsContact C-N 3.35Å; I43-L46 WeakPolarHBondContact O-CB 3.37Å; I43-L46 PolarHBondContact O-N 3.09Å; I43-S47 PolarHBondContact O-N 2.97Å; I43-V88 HydrophobicContact CD1-CG1 4.36Å; I43-V88 HydrophobicContact CG1-CG1 4.08Å; I43-V88 HydrophobicContact CG1-CG2 4.19Å; I43-L122 HydrophobicContact CD1-CB 4.44Å; I43-L122 HydrophobicContact CD1-CD2 4.27Å; I43-K125 HydrophobicContact CG2-CB 4.43Å; I43-K125 HydrophobicContact CG2-CD 3.95Å; I43-K125 HydrophobicContact CG2-CG 3.84Å; I43-F126 HydrophobicContact CD1-CB 3.93Å; I43-F126 HydrophobicContact CG1-CB 4.2Å; I43-F126 HydrophobicContact CG1-CD2 4.43Å; I43-V129 HydrophobicContact CG2-CG2 4.04Å |
| 44 | D | 97.8 | Very high | 96.6 | Very high | 68 Ų | 68 | 53.8 Ų | 53.8 | 36% | 0.364 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -65.1 | -40.4 | 177.4 | -69.3 | -23 | 0 | 0 | 0 | 110.8 | R40 V41 S47 E48 K125 | R40-D44 PolarHBondContact O-N 3.08Å; V41-D44 PolarHBondContact O-N 3.02Å; D44-S47 WeakPolarHBondContact O-CB 3.4Å; D44-S47 PolarHBondContact O-N 3.16Å; D44-E48 PolarHBondContact O-N 3.46Å; D44-K125 IonicContact OD1-NZ 2.69Å; D44-K125 PolarHBondContact OD1-NZ 3.21Å |
| 45 | K | 97.6 | Very high | 96.6 | Very high | 77 Ų | 77 | 54 Ų | 54 | 34% | 0.335 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -59.4 | -46.7 | 170.7 | -173.8 | -172.7 | 174.2 | -165.8 | 0 | 111.7 | V41 C42 I43 S47 E48 D49 D80 | V41-K45 WeakPolarHBondContact O-CB 3.47Å; V41-K45 PolarHBondContact O-N 2.68Å; C42-K45 PolarHBondContact O-N 3.38Å; I43-K45 VanDerWaalsContact C-N 3.35Å; K45-S47 VanDerWaalsContact C-N 3.27Å; K45-S47 PolarHBondContact O-N 3.37Å; K45-E48 WeakPolarHBondContact O-CB 3.45Å; K45-E48 PolarHBondContact O-N 3.21Å; K45-D49 WeakPolarHBondContact CE-OD2 3.36Å; K45-D49 PolarHBondContact O-N 2.93Å; K45-D80 IonicContact NZ-OD2 3.77Å; K45-D80 PolarHBondContact NZ-OD2 3.49Å |
| 46 | L | 97.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -56.8 | -43.9 | 177 | -77.8 | 169.6 | 0 | 0 | 0 | 111.5 | C42 I43 E48 D49 V50 I81 T84 A85 V88 F126 V129 | C42-L46 WeakPolarHBondContact O-CG 3.27Å; C42-L46 PolarHBondContact O-N 3.3Å; I43-L46 WeakPolarHBondContact O-CB 3.37Å; I43-L46 PolarHBondContact O-N 3.09Å; L46-E48 VanDerWaalsContact C-N 3.28Å; L46-E48 PolarHBondContact O-N 3.42Å; L46-D49 PolarHBondContact O-N 3.29Å; L46-V50 WeakPolarHBondContact O-CB 3.49Å; L46-V50 WeakPolarHBondContact O-CG2 3.48Å; L46-V50 PolarHBondContact O-N 3.14Å; L46-I81 HydrophobicContact CD2-CB 4.26Å; L46-I81 HydrophobicContact CD2-CG1 4.37Å; L46-I81 HydrophobicContact CD2-CG2 4Å; L46-I81 WeakPolarHBondContact CD2-O 3.29Å; L46-T84 HydrophobicContact CD1-CG2 4.26Å; L46-T84 HydrophobicContact CD2-CG2 4.06Å; L46-T84 HydrophobicContact CG-CG2 3.73Å; L46-A85 HydrophobicContact CD1-CB 4.16Å; L46-A85 HydrophobicContact CD2-CB 4.12Å; L46-V88 HydrophobicContact CD1-CG2 4.24Å; L46-F126 HydrophobicContact CD1-CD2 3.95Å; L46-F126 HydrophobicContact CD1-CE2 3.66Å; L46-V129 HydrophobicContact CB-CG1 3.78Å |
| 47 | S | 97.6 | Very high | 96.5 | Very high | 53 Ų | 53 | 52.4 Ų | 52.4 | 37% | 0.371 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60.6 | -39.1 | 176.8 | -171 | 0 | 0 | 0 | 0 | 112 | I43 D44 K45 E51 | I43-S47 PolarHBondContact O-N 2.97Å; D44-S47 WeakPolarHBondContact O-CB 3.4Å; D44-S47 PolarHBondContact O-N 3.16Å; K45-S47 VanDerWaalsContact C-N 3.27Å; K45-S47 PolarHBondContact O-N 3.37Å; S47-E51 PolarHBondContact O-N 3.26Å |
| 48 | E | 97.9 | Very high | 96.4 | Very high | 119 Ų | 119 | 51.8 Ų | 51.8 | 56% | 0.556 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -66.6 | -47.3 | 175.4 | -174 | 178.9 | -179.3 | 0 | 0 | 111.8 | D44 K45 L46 V50 E51 Q52 | D44-E48 PolarHBondContact O-N 3.46Å; K45-E48 WeakPolarHBondContact O-CB 3.45Å; K45-E48 PolarHBondContact O-N 3.21Å; L46-E48 VanDerWaalsContact C-N 3.28Å; L46-E48 PolarHBondContact O-N 3.42Å; E48-V50 VanDerWaalsContact C-N 3.28Å; E48-V50 PolarHBondContact O-N 3.13Å; E48-E51 WeakPolarHBondContact O-CB 3.42Å; E48-E51 PolarHBondContact O-N 3.21Å; E48-E51 VanDerWaalsContact O-N 3.1Å; E48-Q52 WeakPolarHBondContact O-CG 3.48Å; E48-Q52 PolarHBondContact O-N 3.03Å |
| 49 | D | 97.3 | Very high | 96.2 | Very high | 9 Ų | 9 | 50.5 Ų | 50.5 | 5% | 0.048 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.2 | -39.5 | 179.4 | -65.9 | -20.5 | 0 | 0 | 0 | 110.9 | K45 L46 E51 Q52 V53 L77 I81 | K45-D49 WeakPolarHBondContact CE-OD2 3.36Å; K45-D49 PolarHBondContact O-N 2.93Å; L46-D49 PolarHBondContact O-N 3.29Å; D49-E51 PolarHBondContact O-N 2.74Å; D49-Q52 WeakPolarHBondContact O-CB 3.43Å; D49-Q52 PolarHBondContact O-N 3.46Å; D49-Q52 VanDerWaalsContact O-N 3.17Å; D49-V53 WeakPolarHBondContact O-CG2 3.46Å; D49-V53 PolarHBondContact O-N 2.94Å; D49-L77 HydrophobicContact CB-CD2 4.42Å; D49-I81 HydrophobicContact CB-CD1 3.91Å; D49-I81 HydrophobicContact CB-CG1 3.53Å |
| 50 | V | 96.2 | Very high | 95.9 | Very high | 2 Ų | 2 | 50.6 Ų | 50.6 | 1% | 0.012 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.6 | -42.6 | 174.6 | 172.3 | 0 | 0 | 0 | 0 | 111.6 | L46 E48 Q52 V53 K54 I81 V129 E132 Y133 | L46-V50 WeakPolarHBondContact O-CB 3.49Å; L46-V50 WeakPolarHBondContact O-CG2 3.48Å; L46-V50 PolarHBondContact O-N 3.14Å; E48-V50 VanDerWaalsContact C-N 3.28Å; E48-V50 PolarHBondContact O-N 3.13Å; V50-Q52 VanDerWaalsContact C-N 3.33Å; V50-V53 PolarHBondContact O-N 2.9Å; V50-K54 PolarHBondContact O-N 3.25Å; V50-K54 VanDerWaalsContact O-N 3.12Å; V50-I81 HydrophobicContact CG2-CD1 4.34Å; V50-V129 HydrophobicContact CG2-CG1 4.26Å; V50-E132 HydrophobicContact CG1-CG 4.24Å; V50-Y133 HydrophobicContact CG2-CD2 3.86Å; V50-Y133 HydrophobicContact CG2-CG 4.23Å |
| 51 | E | 96.7 | Very high | 95.6 | Very high | 84 Ų | 84 | 45.8 Ų | 45.8 | 39% | 0.393 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -67.1 | -33.8 | 175.4 | -71.5 | -58 | 135 | 0 | 0 | 112.4 | S47 E48 D49 K54 K55 | S47-E51 PolarHBondContact O-N 3.26Å; E48-E51 WeakPolarHBondContact O-CB 3.42Å; E48-E51 PolarHBondContact O-N 3.21Å; E48-E51 VanDerWaalsContact O-N 3.1Å; D49-E51 PolarHBondContact O-N 2.74Å; E51-K54 PolarHBondContact O-N 3.47Å; E51-K54 IonicContact OE1-NZ 2.81Å; E51-K54 PolarHBondContact OE1-NZ 3.02Å; E51-K54 IonicContact OE2-NZ 3.3Å; E51-K55 WeakPolarHBondContact O-CG 3.41Å; E51-K55 PolarHBondContact O-N 3.39Å |
| 52 | Q | 96.7 | Very high | 95.2 | Very high | 67 Ų | 67 | 45.6 Ų | 45.6 | 31% | 0.313 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -66.9 | -42.2 | 172.9 | -65.9 | -174.5 | 35.1 | 0 | 0 | 111.4 | E48 D49 V50 K54 K55 Q56 L77 | E48-Q52 WeakPolarHBondContact O-CG 3.48Å; E48-Q52 PolarHBondContact O-N 3.03Å; D49-Q52 WeakPolarHBondContact O-CB 3.43Å; D49-Q52 PolarHBondContact O-N 3.46Å; D49-Q52 VanDerWaalsContact O-N 3.17Å; V50-Q52 VanDerWaalsContact C-N 3.33Å; Q52-K54 VanDerWaalsContact C-N 3.31Å; Q52-K54 PolarHBondContact O-N 2.98Å; Q52-K55 WeakPolarHBondContact O-CB 3.45Å; Q52-K55 PolarHBondContact O-N 3.28Å; Q52-Q56 WeakPolarHBondContact O-CG 3.44Å; Q52-Q56 PolarHBondContact O-N 2.83Å; Q52-L77 HydrophobicContact CB-CD1 3.77Å; Q52-L77 HydrophobicContact CB-CD2 4.01Å |
| 53 | V | 95.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -56.5 | -43.7 | 174.5 | 165.9 | 0 | 0 | 0 | 0 | 111.4 | D49 V50 K55 Q56 H57 L74 L77 I81 Y133 T136 | D49-V53 WeakPolarHBondContact O-CG2 3.46Å; D49-V53 PolarHBondContact O-N 2.94Å; V50-V53 PolarHBondContact O-N 2.9Å; V53-K55 VanDerWaalsContact C-N 3.3Å; V53-K55 PolarHBondContact O-N 3.36Å; V53-Q56 PolarHBondContact O-N 3.4Å; V53-H57 VanDerWaalsContact CG1-CD2 3.49Å; V53-H57 WeakPolarHBondContact CG1-CD2 3.37Å; V53-H57 VanDerWaalsContact CG1-NE2 3.29Å; V53-H57 WeakPolarHBondContact CG1-NE2 3.42Å; V53-H57 WeakPolarHBondContact O-CB 3.5Å; V53-H57 PolarHBondContact O-CD2 2.63Å; V53-H57 PolarHBondContact O-N 3.14Å; V53-L74 HydrophobicContact CB-CD1 4.4Å; V53-L74 HydrophobicContact CG1-CD1 3.96Å; V53-L74 HydrophobicContact CG2-CD1 4.14Å; V53-L77 HydrophobicContact CG2-CB 3.87Å; V53-L77 HydrophobicContact CG2-CD1 4.2Å; V53-I81 HydrophobicContact CG2-CD1 3.71Å; V53-Y133 HydrophobicContact CG1-CE2 4.43Å; V53-Y133 HydrophobicContact CG2-CE2 4.47Å; V53-T136 HydrophobicContact CG1-CG2 4.26Å |
| 54 | K | 95.1 | Very high | 93.7 | Very high | 50 Ų | 50 | 49.2 Ų | 49.2 | 22% | 0.217 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -57 | -41.4 | 175.1 | -70.5 | 174 | -176.6 | 173.5 | 0 | 112.8 | V50 E51 Q52 S58 E132 T136 | V50-K54 PolarHBondContact O-N 3.25Å; V50-K54 VanDerWaalsContact O-N 3.12Å; E51-K54 PolarHBondContact O-N 3.47Å; E51-K54 IonicContact OE1-NZ 2.81Å; E51-K54 PolarHBondContact OE1-NZ 3.02Å; E51-K54 IonicContact OE2-NZ 3.3Å; Q52-K54 VanDerWaalsContact C-N 3.31Å; Q52-K54 PolarHBondContact O-N 2.98Å; K54-S58 WeakPolarHBondContact O-CB 3.12Å; K54-S58 PolarHBondContact O-N 2.96Å; K54-S58 VanDerWaalsContact O-N 3.08Å; K54-S58 PolarHBondContact O-OG 3.1Å; K54-E132 VanDerWaalsContact CE-OE1 3.31Å; K54-E132 WeakPolarHBondContact CE-OE1 3.48Å; K54-E132 IonicContact NZ-OE1 2.78Å; K54-E132 PolarHBondContact NZ-OE1 2.99Å; K54-T136 WeakPolarHBondContact CE-OG1 3.08Å; K54-T136 HydrophobicContact CG-CG2 3.47Å; K54-T136 VanDerWaalsContact CG-CG2 3.47Å |
| 55 | K | 94.5 | Very high | 92.9 | Very high | 146 Ų | 146 | 50.4 Ų | 50.4 | 64% | 0.635 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -66.6 | -45.4 | 178 | -67.8 | 172.6 | -175.2 | 171 | 0 | 111 | E51 Q52 V53 S58 A59 | E51-K55 WeakPolarHBondContact O-CG 3.41Å; E51-K55 PolarHBondContact O-N 3.39Å; Q52-K55 WeakPolarHBondContact O-CB 3.45Å; Q52-K55 PolarHBondContact O-N 3.28Å; V53-K55 VanDerWaalsContact C-N 3.3Å; V53-K55 PolarHBondContact O-N 3.36Å; K55-S58 WeakPolarHBondContact O-CB 3.4Å; K55-S58 PolarHBondContact O-N 3Å; K55-A59 PolarHBondContact O-N 3.06Å |
| 56 | Q | 93.3 | Very high | 92.2 | Very high | 32 Ų | 32 | 47.2 Ų | 47.2 | 15% | 0.15 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.3 | -44.3 | 179.2 | -62.2 | -61.1 | 9.2 | 0 | 0 | 111.9 | Q52 V53 S58 A59 I60 T70 E73 L74 L77 | Q52-Q56 WeakPolarHBondContact O-CG 3.44Å; Q52-Q56 PolarHBondContact O-N 2.83Å; V53-Q56 PolarHBondContact O-N 3.4Å; Q56-S58 VanDerWaalsContact C-N 3.27Å; Q56-S58 PolarHBondContact O-N 3.23Å; Q56-A59 PolarHBondContact O-N 2.99Å; Q56-A59 VanDerWaalsContact O-N 3.12Å; Q56-I60 WeakPolarHBondContact O-CB 3.38Å; Q56-I60 VanDerWaalsContact O-CG1 3.25Å; Q56-I60 WeakPolarHBondContact O-CG1 3.38Å; Q56-I60 PolarHBondContact O-N 2.86Å; Q56-T70 VanDerWaalsContact OE1-CG2 3.29Å; Q56-E73 PolarHBondContact NE2-OE2 3.17Å; Q56-L74 HydrophobicContact CB-CB 4.33Å; Q56-L74 HydrophobicContact CB-CD1 4.32Å; Q56-L77 HydrophobicContact CG-CD1 3.91Å |
| 57 | H | 93.9 | Very high | 91.7 | Very high | 9 Ų | 9 | 51.2 Ų | 51.2 | 4% | 0.042 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -53.3 | -44.4 | 171.3 | -79.4 | -24.3 | 0 | 0 | 0 | 112.6 | V53 I60 L61 Y140 | V53-H57 VanDerWaalsContact CG1-CD2 3.49Å; V53-H57 WeakPolarHBondContact CG1-CD2 3.37Å; V53-H57 VanDerWaalsContact CG1-NE2 3.29Å; V53-H57 WeakPolarHBondContact CG1-NE2 3.42Å; V53-H57 WeakPolarHBondContact O-CB 3.5Å; V53-H57 PolarHBondContact O-CD2 2.63Å; V53-H57 PolarHBondContact O-N 3.14Å; H57-I60 PolarHBondContact O-N 2.88Å; H57-L61 WeakPolarHBondContact O-CG 3.38Å; H57-L61 PolarHBondContact O-N 2.96Å; H57-Y140 HydrophobicContact CB-CD2 3.33Å; H57-Y140 HydrophobicContact CB-CE2 3.53Å; H57-Y140 HydrophobicContact CB-CG 4.1Å; H57-Y140 AromaticContact CD2-CD2 3.93Å; H57-Y140 AromaticContact CD2-CG 3.79Å; H57-Y140 AromaticContact CE1-CD1 3.54Å; H57-Y140 AromaticContact CE1-CE1 3.87Å; H57-Y140 AromaticContact CE1-CG 3.65Å; H57-Y140 AromaticContact CG-CD2 3.28Å; H57-Y140 AromaticContact CG-CE2 3.61Å; H57-Y140 AromaticContact CG-CG 3.55Å; H57-Y140 AromaticContact ND1-CD1 3.58Å; H57-Y140 AromaticContact ND1-CD2 3.41Å; H57-Y140 WeakPolarHBondContact ND1-CD2 3.26Å; H57-Y140 AromaticContact ND1-CE1 3.64Å; H57-Y140 AromaticContact ND1-CE2 3.4Å; H57-Y140 WeakPolarHBondContact ND1-CE2 3.47Å; H57-Y140 AromaticContact ND1-CG 3.46Å; H57-Y140 AromaticContact ND1-CZ 3.55Å; H57-Y140 AromaticContact NE2-CG 3.86Å; H57-Y140 WeakPolarHBondContact O-CE2 3.45Å |
| 58 | S | 92.6 | Very high | 91.3 | Very high | 79 Ų | 79 | 54.6 Ų | 54.6 | 55% | 0.552 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -65.1 | -41.6 | 177.8 | -58.9 | 0 | 0 | 0 | 0 | 112.3 | K54 K55 Q56 L61 A62 | K54-S58 WeakPolarHBondContact O-CB 3.12Å; K54-S58 PolarHBondContact O-N 2.96Å; K54-S58 VanDerWaalsContact O-N 3.08Å; K54-S58 PolarHBondContact O-OG 3.1Å; K55-S58 WeakPolarHBondContact O-CB 3.4Å; K55-S58 PolarHBondContact O-N 3Å; Q56-S58 VanDerWaalsContact C-N 3.27Å; Q56-S58 PolarHBondContact O-N 3.23Å; S58-L61 PolarHBondContact O-N 3.17Å; S58-A62 WeakPolarHBondContact O-CB 3.45Å; S58-A62 PolarHBondContact O-N 3.36Å |
| 59 | A | 92.1 | Very high | 91 | Very high | 46 Ų | 46 | 55.7 Ų | 55.7 | 38% | 0.38 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.9 | -44 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | K55 Q56 L61 A62 T70 | K55-A59 PolarHBondContact O-N 3.06Å; Q56-A59 PolarHBondContact O-N 2.99Å; Q56-A59 VanDerWaalsContact O-N 3.12Å; A59-L61 VanDerWaalsContact C-N 3.32Å; A59-L61 PolarHBondContact O-N 3.33Å; A59-A62 WeakPolarHBondContact O-CB 3.39Å; A59-A62 PolarHBondContact O-N 3.48Å; A59-A62 VanDerWaalsContact O-N 3.09Å; A59-T70 HydrophobicContact CB-CG2 4.19Å |
| 60 | I | 91.4 | Very high | 90.6 | Very high | 2 Ų | 2 | 56.1 Ų | 56.1 | 1% | 0.01 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64 | -38.4 | 179.2 | -69.6 | 169.4 | 0 | 0 | 0 | 111.2 | Q56 H57 P66 T70 L74 Y140 R197 E200 | Q56-I60 WeakPolarHBondContact O-CB 3.38Å; Q56-I60 VanDerWaalsContact O-CG1 3.25Å; Q56-I60 WeakPolarHBondContact O-CG1 3.38Å; Q56-I60 PolarHBondContact O-N 2.86Å; H57-I60 PolarHBondContact O-N 2.88Å; I60-P66 HydrophobicContact CB-CB 4.35Å; I60-P66 HydrophobicContact CG1-CB 4.32Å; I60-P66 HydrophobicContact CG2-CB 4.06Å; I60-P66 HydrophobicContact CG2-CG 3.77Å; I60-T70 HydrophobicContact CD1-CG2 4.08Å; I60-T70 HydrophobicContact CG1-CG2 3.48Å; I60-T70 VanDerWaalsContact CG1-CG2 3.48Å; I60-L74 HydrophobicContact CD1-CB 4.17Å; I60-L74 HydrophobicContact CD1-CD2 3.56Å; I60-L74 HydrophobicContact CD1-CG 4.48Å; I60-Y140 WeakPolarHBondContact CG2-OH 3.49Å; I60-R197 VanDerWaalsContact CG2-NH1 3.32Å; I60-R197 PolarHBondContact O-NH1 3.04Å; I60-R197 PolarHBondContact O-NH2 2.78Å; I60-E200 WeakPolarHBondContact CG2-OE1 3.19Å |
| 61 | L | 90.5 | Very high | 90.3 | Very high | 21 Ų | 21 | 57.9 Ų | 57.9 | 11% | 0.11 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -71.8 | -30.5 | 173.5 | -72.4 | 165.7 | 0 | 0 | 0 | 112.1 | H57 S58 A59 A63 Y140 R143 R147 | H57-L61 WeakPolarHBondContact O-CG 3.38Å; H57-L61 PolarHBondContact O-N 2.96Å; S58-L61 PolarHBondContact O-N 3.17Å; A59-L61 VanDerWaalsContact C-N 3.32Å; A59-L61 PolarHBondContact O-N 3.33Å; L61-A63 PolarHBondContact O-N 3.07Å; L61-Y140 HydrophobicContact CD1-CD2 3.7Å; L61-Y140 HydrophobicContact CD1-CE2 3.61Å; L61-Y140 HydrophobicContact CD2-CE2 4.22Å; L61-Y140 HydrophobicContact CG-CD2 4.24Å; L61-Y140 HydrophobicContact CG-CE2 3.62Å; L61-R143 HydrophobicContact CD1-CB 3.69Å; L61-R143 HydrophobicContact CD1-CG 4.34Å; L61-R143 HydrophobicContact CD2-CB 4.31Å; L61-R147 HydrophobicContact CD2-CG 4.43Å; L61-R147 PolarHBondContact O-NE 3.35Å; L61-R147 PolarHBondContact O-NH1 3.33Å; L61-R147 PolarHBondContact O-NH2 2.9Å |
| 62 | A | 90.1 | Very high | 90.1 | Very high | 81 Ų | 81 | 58.1 Ų | 58.1 | 67% | 0.669 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -65.3 | -25.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | S58 A59 | S58-A62 WeakPolarHBondContact O-CB 3.45Å; S58-A62 PolarHBondContact O-N 3.36Å; A59-A62 WeakPolarHBondContact O-CB 3.39Å; A59-A62 PolarHBondContact O-N 3.48Å; A59-A62 VanDerWaalsContact O-N 3.09Å |
| 63 | A | 85.8 | Confident | 89.9 | Confident | 33 Ų | 33 | 58.1 Ų | 58.1 | 27% | 0.273 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -109.4 | 137.2 | -180 | 0 | 0 | 0 | 0 | 0 | 111.9 | L61 N65 R197 | L61-A63 PolarHBondContact O-N 3.07Å; A63-N65 VanDerWaalsContact C-N 3.27Å; A63-N65 PolarHBondContact O-N 3.36Å; A63-R197 PolarHBondContact O-NH2 2.64Å |
| 64 | P | 78.8 | Confident | 89.8 | Confident | 55 Ų | 55 | 59.2 Ų | 59.2 | 36% | 0.357 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -59.6 | -39.8 | 171.3 | -23.2 | 33.3 | 0 | 0 | 0 | 112.3 | ||
| 65 | N | 79.9 | Confident | 89.7 | Confident | 93 Ų | 93 | 60.3 Ų | 60.3 | 50% | 0.497 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -119.9 | 91.6 | 176 | -67.7 | -17.2 | 0 | 0 | 0 | 108.4 | A63 N192 | A63-N65 VanDerWaalsContact C-N 3.27Å; A63-N65 PolarHBondContact O-N 3.36Å; N65-N192 PolarHBondContact OD1-OD1 2.85Å; N65-N192 VanDerWaalsContact OD1-OD1 3.11Å |
| 66 | P | 83.6 | Confident | 89.7 | Confident | 11 Ų | 11 | 57.5 Ų | 57.5 | 7% | 0.071 | 32% | 0.318 | C | S | . | . | trans | -66.6 | 144.6 | 177.7 | 10.6 | -4.8 | 0 | 0 | 0 | 110.3 | I60 T196 | I60-P66 HydrophobicContact CB-CB 4.35Å; I60-P66 HydrophobicContact CG1-CB 4.32Å; I60-P66 HydrophobicContact CG2-CB 4.06Å; I60-P66 HydrophobicContact CG2-CG 3.77Å; P66-T196 HydrophobicContact CG-CG2 4.25Å | ||
| 67 | D | 87.1 | Confident | 89.8 | Confident | 84 Ų | 84 | 56.7 Ų | 56.7 | 45% | 0.449 | 32% | 0.315 | S | S | . | . | trans | -68.3 | 146.8 | 177.8 | 65.5 | -73.7 | 0 | 0 | 0 | 111.2 | K69 T70 K71 | D67-K69 PolarHBondContact O-N 2.69Å; D67-K69 WeakPolarHBondContact OD2-CB 3.35Å; D67-K69 PolarHBondContact OD2-N 3.32Å; D67-T70 PolarHBondContact O-N 2.92Å; D67-T70 WeakPolarHBondContact OD1-CB 3.47Å; D67-T70 PolarHBondContact OD1-OG1 3.3Å; D67-T70 PolarHBondContact OD2-N 3.22Å; D67-T70 PolarHBondContact OD2-OG1 3.22Å; D67-K71 PolarHBondContact O-N 3.2Å | ||
| 68 | E | 88.6 | Confident | 89.7 | Confident | 124 Ų | 124 | 57.8 Ų | 57.8 | 58% | 0.579 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -64.4 | -26.3 | -175.9 | -160.6 | 60 | -159.6 | 0 | 0 | 112.3 | K71 Q72 | E68-K71 PolarHBondContact O-N 2.97Å; E68-K71 IonicContact OE2-NZ 3.19Å; E68-Q72 WeakPolarHBondContact O-CB 3.43Å; E68-Q72 PolarHBondContact O-N 2.94Å |
| 69 | K | 90.8 | Very high | 89.8 | Confident | 142 Ų | 142 | 56.8 Ų | 56.8 | 62% | 0.617 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -66.8 | -47.9 | 177.5 | 176.8 | -175.9 | 171.2 | -173.5 | 0 | 111 | D67 K71 Q72 E73 | D67-K69 PolarHBondContact O-N 2.69Å; D67-K69 WeakPolarHBondContact OD2-CB 3.35Å; D67-K69 PolarHBondContact OD2-N 3.32Å; K69-K71 VanDerWaalsContact C-N 3.26Å; K69-K71 PolarHBondContact O-N 3.47Å; K69-Q72 PolarHBondContact O-N 3.12Å; K69-E73 WeakPolarHBondContact CE-OE1 3.46Å; K69-E73 IonicContact NZ-OE1 3.85Å; K69-E73 WeakPolarHBondContact O-CG 3.49Å; K69-E73 PolarHBondContact O-N 3.22Å |
| 70 | T | 90.4 | Very high | 89.9 | Confident | 17 Ų | 17 | 57.5 Ų | 57.5 | 10% | 0.104 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59 | -38.2 | 175.3 | -59.5 | 0 | 0 | 0 | 0 | 111.8 | Q56 A59 I60 D67 L74 | Q56-T70 VanDerWaalsContact OE1-CG2 3.29Å; A59-T70 HydrophobicContact CB-CG2 4.19Å; I60-T70 HydrophobicContact CD1-CG2 4.08Å; I60-T70 HydrophobicContact CG1-CG2 3.48Å; I60-T70 VanDerWaalsContact CG1-CG2 3.48Å; D67-T70 PolarHBondContact O-N 2.92Å; D67-T70 WeakPolarHBondContact OD1-CB 3.47Å; D67-T70 PolarHBondContact OD1-OG1 3.3Å; D67-T70 PolarHBondContact OD2-N 3.22Å; D67-T70 PolarHBondContact OD2-OG1 3.22Å; T70-L74 PolarHBondContact O-N 3.5Å; T70-L74 VanDerWaalsContact O-N 3.12Å |
| 71 | K | 89 | Confident | 90.1 | Very high | 40 Ų | 40 | 57.4 Ų | 57.4 | 17% | 0.174 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65.3 | -45.1 | 174.8 | -67.1 | -179.7 | -175.6 | 171.5 | 0 | 112.1 | D67 E68 K69 E73 L74 E75 | D67-K71 PolarHBondContact O-N 3.2Å; E68-K71 PolarHBondContact O-N 2.97Å; E68-K71 IonicContact OE2-NZ 3.19Å; K69-K71 VanDerWaalsContact C-N 3.26Å; K69-K71 PolarHBondContact O-N 3.47Å; K71-E73 VanDerWaalsContact C-N 3.35Å; K71-L74 PolarHBondContact O-N 3.24Å; K71-E75 PolarHBondContact O-N 3.05Å |
| 72 | Q | 92.2 | Very high | 90.2 | Very high | 88 Ų | 88 | 59.8 Ų | 59.8 | 41% | 0.411 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62 | -43.1 | 176.8 | -173.3 | 63.1 | 56 | 0 | 0 | 111.4 | E68 K69 L74 E75 D76 | E68-Q72 WeakPolarHBondContact O-CB 3.43Å; E68-Q72 PolarHBondContact O-N 2.94Å; K69-Q72 PolarHBondContact O-N 3.12Å; Q72-L74 VanDerWaalsContact C-N 3.29Å; Q72-L74 PolarHBondContact O-N 2.97Å; Q72-E75 PolarHBondContact O-N 3.16Å; Q72-E75 VanDerWaalsContact O-N 3.14Å; Q72-D76 PolarHBondContact NE2-OD1 3.42Å; Q72-D76 VanDerWaalsContact O-CG 3.24Å; Q72-D76 PolarHBondContact O-N 3.39Å |
| 73 | E | 93.4 | Very high | 90.4 | Very high | 68 Ų | 68 | 63.1 Ų | 63.1 | 32% | 0.318 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.1 | -38.2 | 176.6 | -73.4 | 176.5 | -177 | 0 | 0 | 111.9 | Q56 K69 K71 L77 | Q56-E73 PolarHBondContact NE2-OE2 3.17Å; K69-E73 WeakPolarHBondContact CE-OE1 3.46Å; K69-E73 IonicContact NZ-OE1 3.85Å; K69-E73 WeakPolarHBondContact O-CG 3.49Å; K69-E73 PolarHBondContact O-N 3.22Å; K71-E73 VanDerWaalsContact C-N 3.35Å; E73-L77 WeakPolarHBondContact O-CB 3.28Å; E73-L77 VanDerWaalsContact O-CG 3.27Å; E73-L77 WeakPolarHBondContact O-CG 3.14Å; E73-L77 PolarHBondContact O-N 3.13Å |
| 74 | L | 93.6 | Very high | 90.9 | Very high | 23 Ų | 23 | 62 Ų | 62 | 12% | 0.12 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -66.5 | -40.6 | 174.4 | 176.9 | 63.8 | 0 | 0 | 0 | 112.4 | V53 Q56 I60 T70 K71 Q72 L77 T78 | V53-L74 HydrophobicContact CB-CD1 4.4Å; V53-L74 HydrophobicContact CG1-CD1 3.96Å; V53-L74 HydrophobicContact CG2-CD1 4.14Å; Q56-L74 HydrophobicContact CB-CB 4.33Å; Q56-L74 HydrophobicContact CB-CD1 4.32Å; I60-L74 HydrophobicContact CD1-CB 4.17Å; I60-L74 HydrophobicContact CD1-CD2 3.56Å; I60-L74 HydrophobicContact CD1-CG 4.48Å; T70-L74 PolarHBondContact O-N 3.5Å; T70-L74 VanDerWaalsContact O-N 3.12Å; K71-L74 PolarHBondContact O-N 3.24Å; Q72-L74 VanDerWaalsContact C-N 3.29Å; Q72-L74 PolarHBondContact O-N 2.97Å; L74-L77 PolarHBondContact O-N 2.9Å; L74-T78 WeakPolarHBondContact O-CB 3.49Å; L74-T78 PolarHBondContact O-N 3.31Å; L74-T78 PolarHBondContact O-OG1 2.88Å |
| 75 | E | 91.9 | Very high | 91.6 | Very high | 73 Ų | 73 | 59.4 Ų | 59.4 | 34% | 0.341 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.6 | -42.6 | 176.3 | -72.3 | -178.5 | -170.9 | 0 | 0 | 111.8 | K71 Q72 T78 A79 K203 | K71-E75 PolarHBondContact O-N 3.05Å; Q72-E75 PolarHBondContact O-N 3.16Å; Q72-E75 VanDerWaalsContact O-N 3.14Å; E75-T78 WeakPolarHBondContact O-CB 3.42Å; E75-T78 PolarHBondContact O-N 2.89Å; E75-A79 PolarHBondContact O-N 3.29Å; E75-K203 WeakPolarHBondContact OE1-CE 3.45Å; E75-K203 IonicContact OE1-NZ 3.29Å; E75-K203 PolarHBondContact OE1-NZ 3.06Å |
| 76 | D | 94.9 | Very high | 92.2 | Very high | 86 Ų | 86 | 57.1 Ų | 57.1 | 46% | 0.46 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.6 | -45.6 | 176.8 | -66.9 | -13.2 | 0 | 0 | 0 | 110.7 | Q72 T78 A79 D80 | Q72-D76 PolarHBondContact NE2-OD1 3.42Å; Q72-D76 VanDerWaalsContact O-CG 3.24Å; Q72-D76 PolarHBondContact O-N 3.39Å; D76-T78 VanDerWaalsContact C-N 3.32Å; D76-T78 PolarHBondContact O-N 2.92Å; D76-A79 PolarHBondContact O-N 2.93Å; D76-D80 WeakPolarHBondContact O-CB 3.3Å; D76-D80 PolarHBondContact O-N 3.26Å |
| 77 | L | 95.2 | Very high | 92.8 | Very high | 15 Ų | 15 | 60.9 Ų | 60.9 | 8% | 0.079 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59.7 | -41.7 | 174.2 | -76.3 | 169.5 | 0 | 0 | 0 | 112.1 | D49 Q52 V53 Q56 E73 L74 A79 D80 I81 | D49-L77 HydrophobicContact CB-CD2 4.42Å; Q52-L77 HydrophobicContact CB-CD1 3.77Å; Q52-L77 HydrophobicContact CB-CD2 4.01Å; V53-L77 HydrophobicContact CG2-CB 3.87Å; V53-L77 HydrophobicContact CG2-CD1 4.2Å; Q56-L77 HydrophobicContact CG-CD1 3.91Å; E73-L77 WeakPolarHBondContact O-CB 3.28Å; E73-L77 VanDerWaalsContact O-CG 3.27Å; E73-L77 WeakPolarHBondContact O-CG 3.14Å; E73-L77 PolarHBondContact O-N 3.13Å; L74-L77 PolarHBondContact O-N 2.9Å; L77-A79 VanDerWaalsContact C-N 3.35Å; L77-A79 PolarHBondContact O-N 2.94Å; L77-D80 PolarHBondContact O-N 2.96Å; L77-I81 WeakPolarHBondContact O-CB 3.47Å; L77-I81 VanDerWaalsContact O-CG1 3.28Å; L77-I81 WeakPolarHBondContact O-CG1 3.39Å; L77-I81 PolarHBondContact O-N 3.23Å |
| 78 | T | 92.8 | Very high | 93.1 | Very high | 32 Ų | 32 | 56.9 Ų | 56.9 | 20% | 0.196 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.5 | -42.5 | 178.3 | -58.8 | 0 | 0 | 0 | 0 | 111.2 | L74 E75 D76 K82 S207 | L74-T78 WeakPolarHBondContact O-CB 3.49Å; L74-T78 PolarHBondContact O-N 3.31Å; L74-T78 PolarHBondContact O-OG1 2.88Å; E75-T78 WeakPolarHBondContact O-CB 3.42Å; E75-T78 PolarHBondContact O-N 2.89Å; D76-T78 VanDerWaalsContact C-N 3.32Å; D76-T78 PolarHBondContact O-N 2.92Å; T78-K82 WeakPolarHBondContact O-CB 3.34Å; T78-K82 PolarHBondContact O-N 3.39Å; T78-S207 VanDerWaalsContact CG2-OG 3.28Å; T78-S207 WeakPolarHBondContact CG2-OG 3.49Å |
| 79 | A | 93.2 | Very high | 93.3 | Very high | 58 Ų | 58 | 54.1 Ų | 54.1 | 48% | 0.479 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65 | -41 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | E75 D76 L77 K82 K83 | E75-A79 PolarHBondContact O-N 3.29Å; D76-A79 PolarHBondContact O-N 2.93Å; L77-A79 VanDerWaalsContact C-N 3.35Å; L77-A79 PolarHBondContact O-N 2.94Å; A79-K82 PolarHBondContact O-N 3.49Å; A79-K83 WeakPolarHBondContact O-CB 3.41Å; A79-K83 PolarHBondContact O-N 2.77Å |
| 80 | D | 95.3 | Very high | 93.4 | Very high | 62 Ų | 62 | 51.1 Ų | 51.1 | 33% | 0.332 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -65.9 | -42.2 | 177.8 | -103.1 | 23.5 | 0 | 0 | 0 | 112.5 | K45 D76 L77 K83 T84 | K45-D80 IonicContact NZ-OD2 3.77Å; K45-D80 PolarHBondContact NZ-OD2 3.49Å; D76-D80 WeakPolarHBondContact O-CB 3.3Å; D76-D80 PolarHBondContact O-N 3.26Å; L77-D80 PolarHBondContact O-N 2.96Å; D80-K83 PolarHBondContact O-N 3.24Å; D80-T84 WeakPolarHBondContact O-CB 3.41Å; D80-T84 PolarHBondContact O-N 3.37Å; D80-T84 PolarHBondContact O-OG1 3.18Å |
| 81 | I | 94.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.3 | -50.8 | 172.9 | -73.4 | 170.3 | 0 | 0 | 0 | 109.6 | L46 D49 V50 V53 L77 K83 T84 A85 Y133 | L46-I81 HydrophobicContact CD2-CB 4.26Å; L46-I81 HydrophobicContact CD2-CG1 4.37Å; L46-I81 HydrophobicContact CD2-CG2 4Å; L46-I81 WeakPolarHBondContact CD2-O 3.29Å; D49-I81 HydrophobicContact CB-CD1 3.91Å; D49-I81 HydrophobicContact CB-CG1 3.53Å; V50-I81 HydrophobicContact CG2-CD1 4.34Å; V53-I81 HydrophobicContact CG2-CD1 3.71Å; L77-I81 WeakPolarHBondContact O-CB 3.47Å; L77-I81 VanDerWaalsContact O-CG1 3.28Å; L77-I81 WeakPolarHBondContact O-CG1 3.39Å; L77-I81 PolarHBondContact O-N 3.23Å; I81-K83 VanDerWaalsContact C-N 3.33Å; I81-K83 PolarHBondContact O-N 3.04Å; I81-T84 PolarHBondContact O-N 3.5Å; I81-A85 WeakPolarHBondContact O-CB 3.23Å; I81-A85 PolarHBondContact O-N 3.41Å; I81-Y133 HydrophobicContact CD1-CD2 3.83Å; I81-Y133 HydrophobicContact CD1-CE2 3.47Å; I81-Y133 VanDerWaalsContact CD1-CE2 3.47Å; I81-Y133 HydrophobicContact CG2-CD2 4.4Å; I81-Y133 HydrophobicContact CG2-CE1 4.4Å; I81-Y133 HydrophobicContact CG2-CE2 4.2Å |
| 82 | K | 92.8 | Very high | 93.7 | Very high | 70 Ų | 70 | 50.6 Ų | 50.6 | 30% | 0.304 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -57.5 | -45.1 | 178.7 | -179.4 | -179.5 | -178.2 | 178.4 | 0 | 112 | T78 A79 N86 E210 | T78-K82 WeakPolarHBondContact O-CB 3.34Å; T78-K82 PolarHBondContact O-N 3.39Å; A79-K82 PolarHBondContact O-N 3.49Å; K82-N86 WeakPolarHBondContact O-CB 3.4Å; K82-N86 PolarHBondContact O-N 3.45Å; K82-N86 PolarHBondContact O-ND2 3.3Å; K82-E210 WeakPolarHBondContact CE-OE2 3.43Å; K82-E210 IonicContact NZ-OE1 2.64Å; K82-E210 PolarHBondContact NZ-OE1 3.06Å; K82-E210 IonicContact NZ-OE2 3.73Å; K82-E210 PolarHBondContact NZ-OE2 3.4Å |
| 83 | K | 94.4 | Very high | 93.6 | Very high | 151 Ų | 151 | 51.3 Ų | 51.3 | 66% | 0.657 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -64.3 | -47.9 | 179.6 | -178.5 | -179.2 | 176.8 | -176.5 | 0 | 111.4 | A79 D80 I81 N86 K87 | A79-K83 WeakPolarHBondContact O-CB 3.41Å; A79-K83 PolarHBondContact O-N 2.77Å; D80-K83 PolarHBondContact O-N 3.24Å; I81-K83 VanDerWaalsContact C-N 3.33Å; I81-K83 PolarHBondContact O-N 3.04Å; K83-N86 PolarHBondContact O-N 2.86Å; K83-K87 PolarHBondContact O-N 3.06Å |
| 84 | T | 96.1 | Very high | 93.6 | Very high | 11 Ų | 11 | 50.5 Ų | 50.5 | 7% | 0.067 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -68.3 | -41.4 | -177.5 | -52.7 | 0 | 0 | 0 | 0 | 111.1 | C42 L46 D80 I81 N86 K87 V88 | C42-T84 HydrophobicContact CB-CG2 3.81Å; C42-T84 WeakPolarHBondContact O-CG2 3.33Å; L46-T84 HydrophobicContact CD1-CG2 4.26Å; L46-T84 HydrophobicContact CD2-CG2 4.06Å; L46-T84 HydrophobicContact CG-CG2 3.73Å; D80-T84 WeakPolarHBondContact O-CB 3.41Å; D80-T84 PolarHBondContact O-N 3.37Å; D80-T84 PolarHBondContact O-OG1 3.18Å; I81-T84 PolarHBondContact O-N 3.5Å; T84-N86 PolarHBondContact O-N 3.33Å; T84-K87 WeakPolarHBondContact O-CB 3.48Å; T84-K87 PolarHBondContact O-N 3.07Å; T84-V88 WeakPolarHBondContact O-CG2 3.01Å; T84-V88 PolarHBondContact O-N 3.27Å |
| 85 | A | 93.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.6 | -40.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L46 I81 K87 V88 R89 F126 M130 M214 | L46-A85 HydrophobicContact CD1-CB 4.16Å; L46-A85 HydrophobicContact CD2-CB 4.12Å; I81-A85 WeakPolarHBondContact O-CB 3.23Å; I81-A85 PolarHBondContact O-N 3.41Å; A85-K87 VanDerWaalsContact C-N 3.35Å; A85-K87 PolarHBondContact O-N 3.39Å; A85-V88 PolarHBondContact O-N 2.97Å; A85-R89 WeakPolarHBondContact O-CB 3.35Å; A85-R89 PolarHBondContact O-N 2.93Å; A85-F126 HydrophobicContact CB-CE2 3.97Å; A85-F126 HydrophobicContact CB-CZ 4.04Å; A85-F126 WeakPolarHBondContact O-CZ 3.45Å; A85-M130 HydrophobicContact CB-CE 4.18Å; A85-M130 HydrophobicContact CB-SD 3.87Å; A85-M214 HydrophobicContact CB-CE 3.61Å; A85-M214 HydrophobicContact CB-SD 3.6Å; A85-M214 VanDerWaalsContact CB-SD 3.6Å |
| 86 | N | 92.8 | Very high | 93.3 | Very high | 45 Ų | 45 | 48.3 Ų | 48.3 | 24% | 0.241 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.4 | -39.6 | 172.2 | -82.3 | -58.8 | 0 | 0 | 0 | 112.6 | K82 K83 T84 R89 S90 | K82-N86 WeakPolarHBondContact O-CB 3.4Å; K82-N86 PolarHBondContact O-N 3.45Å; K82-N86 PolarHBondContact O-ND2 3.3Å; K83-N86 PolarHBondContact O-N 2.86Å; T84-N86 PolarHBondContact O-N 3.33Å; N86-R89 PolarHBondContact O-N 3.47Å; N86-R89 PolarHBondContact OD1-NH2 3.21Å; N86-S90 PolarHBondContact O-N 2.96Å; N86-S90 PolarHBondContact O-OG 3.11Å |
| 87 | K | 94.8 | Very high | 93.1 | Very high | 90 Ų | 90 | 49.5 Ų | 49.5 | 39% | 0.391 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61.3 | -45.9 | 175.5 | -174.8 | -176.4 | 177.4 | -167.3 | 0 | 111.5 | E38 K83 T84 A85 S90 K91 | E38-K87 WeakPolarHBondContact OE1-CE 3.3Å; E38-K87 IonicContact OE1-NZ 2.68Å; E38-K87 PolarHBondContact OE1-NZ 3.34Å; K83-K87 PolarHBondContact O-N 3.06Å; T84-K87 WeakPolarHBondContact O-CB 3.48Å; T84-K87 PolarHBondContact O-N 3.07Å; A85-K87 VanDerWaalsContact C-N 3.35Å; A85-K87 PolarHBondContact O-N 3.39Å; K87-S90 PolarHBondContact O-N 3.02Å; K87-K91 HydrophobicContact CG-CD 4.42Å; K87-K91 WeakPolarHBondContact O-CG 3.41Å; K87-K91 PolarHBondContact O-N 3.24Å; K87-K91 VanDerWaalsContact O-N 3.14Å |
| 88 | V | 94.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.5 | -49.4 | 175.8 | 171.6 | 0 | 0 | 0 | 0 | 110.4 | I39 C42 I43 L46 T84 A85 S90 K91 L92 F126 | I39-V88 HydrophobicContact CG2-CG1 4.07Å; C42-V88 HydrophobicContact CB-CG2 3.44Å; C42-V88 VanDerWaalsContact CB-CG2 3.44Å; I43-V88 HydrophobicContact CD1-CG1 4.36Å; I43-V88 HydrophobicContact CG1-CG1 4.08Å; I43-V88 HydrophobicContact CG1-CG2 4.19Å; L46-V88 HydrophobicContact CD1-CG2 4.24Å; T84-V88 WeakPolarHBondContact O-CG2 3.01Å; T84-V88 PolarHBondContact O-N 3.27Å; A85-V88 PolarHBondContact O-N 2.97Å; V88-S90 PolarHBondContact O-N 3.18Å; V88-K91 PolarHBondContact O-N 2.83Å; V88-L92 HydrophobicContact CG1-CD1 3.82Å; V88-L92 HydrophobicContact CG1-CG 4.28Å; V88-L92 WeakPolarHBondContact O-CG 3.31Å; V88-L92 PolarHBondContact O-N 2.93Å; V88-F126 HydrophobicContact CB-CD2 4.19Å; V88-F126 HydrophobicContact CB-CE2 4.01Å; V88-F126 HydrophobicContact CB-CZ 4.19Å; V88-F126 HydrophobicContact CG1-CB 4.13Å; V88-F126 HydrophobicContact CG1-CD1 3.75Å; V88-F126 HydrophobicContact CG1-CD2 3.6Å; V88-F126 HydrophobicContact CG1-CE1 4.02Å; V88-F126 HydrophobicContact CG1-CE2 3.87Å; V88-F126 HydrophobicContact CG1-CG 3.54Å; V88-F126 HydrophobicContact CG1-CZ 4.07Å |
| 89 | R | 92.2 | Very high | 92.4 | Very high | 66 Ų | 66 | 49.3 Ų | 49.3 | 25% | 0.249 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -54.3 | -49.8 | 177.4 | -179.6 | 175.7 | 64.5 | 155.1 | -6.8 | 112.2 | A85 N86 K91 L92 K93 F126 D217 | A85-R89 WeakPolarHBondContact O-CB 3.35Å; A85-R89 PolarHBondContact O-N 2.93Å; N86-R89 PolarHBondContact O-N 3.47Å; N86-R89 PolarHBondContact OD1-NH2 3.21Å; R89-K91 VanDerWaalsContact C-N 3.33Å; R89-K91 PolarHBondContact O-N 3.27Å; R89-L92 PolarHBondContact O-N 3.06Å; R89-K93 WeakPolarHBondContact O-CB 3.26Å; R89-K93 PolarHBondContact O-N 3.01Å; R89-F126 HydrophobicContact CB-CE1 4.38Å; R89-D217 IonicContact CZ-OD2 3.43Å; R89-D217 IonicContact NH1-OD2 2.62Å; R89-D217 PolarHBondContact NH1-OD2 3.03Å |
| 90 | S | 92.8 | Very high | 92.2 | Very high | 78 Ų | 78 | 52 Ų | 52 | 55% | 0.545 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.9 | -39.4 | -179.7 | -65.6 | 0 | 0 | 0 | 0 | 112.7 | N86 K87 V88 A94 | N86-S90 PolarHBondContact O-N 2.96Å; N86-S90 PolarHBondContact O-OG 3.11Å; K87-S90 PolarHBondContact O-N 3.02Å; V88-S90 PolarHBondContact O-N 3.18Å; S90-A94 PolarHBondContact O-N 2.9Å; S90-A94 VanDerWaalsContact O-N 3.08Å |
| 91 | K | 94 | Very high | 91.7 | Very high | 43 Ų | 43 | 55.9 Ų | 55.9 | 19% | 0.187 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -70.6 | -41.9 | 178.3 | -74.9 | 174.6 | 163.9 | -82.2 | 0 | 112.6 | E38 I39 K87 V88 R89 K93 A94 I95 | E38-K91 WeakPolarHBondContact OE1-CE 3.27Å; E38-K91 IonicContact OE1-NZ 3.62Å; E38-K91 PolarHBondContact OE1-NZ 2.83Å; E38-K91 WeakPolarHBondContact OE2-CE 3.38Å; E38-K91 IonicContact OE2-NZ 2.71Å; E38-K91 PolarHBondContact OE2-NZ 3.29Å; I39-K91 HydrophobicContact CD1-CB 3.65Å; I39-K91 HydrophobicContact CG1-CB 3.66Å; I39-K91 HydrophobicContact CG1-CD 3.78Å; I39-K91 HydrophobicContact CG1-CG 4.37Å; K87-K91 HydrophobicContact CG-CD 4.42Å; K87-K91 WeakPolarHBondContact O-CG 3.41Å; K87-K91 PolarHBondContact O-N 3.24Å; K87-K91 VanDerWaalsContact O-N 3.14Å; V88-K91 PolarHBondContact O-N 2.83Å; R89-K91 VanDerWaalsContact C-N 3.33Å; R89-K91 PolarHBondContact O-N 3.27Å; K91-K93 VanDerWaalsContact C-N 3.34Å; K91-K93 PolarHBondContact O-N 2.82Å; K91-A94 WeakPolarHBondContact O-CB 3.44Å; K91-A94 PolarHBondContact O-N 3.06Å; K91-I95 WeakPolarHBondContact O-CG1 3.5Å; K91-I95 PolarHBondContact O-N 3.02Å; K91-I95 VanDerWaalsContact O-N 3.09Å |
| 92 | L | 92.4 | Very high | 91 | Very high | 3 Ų | 3 | 57.6 Ų | 57.6 | 2% | 0.016 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.7 | -46.1 | 174.6 | -73.9 | 174.1 | 0 | 0 | 0 | 110.9 | I39 V88 R89 A94 I95 E96 H119 L122 F126 | I39-L92 HydrophobicContact CD1-CD2 4.25Å; I39-L92 HydrophobicContact CG2-CD2 4.41Å; V88-L92 HydrophobicContact CG1-CD1 3.82Å; V88-L92 HydrophobicContact CG1-CG 4.28Å; V88-L92 WeakPolarHBondContact O-CG 3.31Å; V88-L92 PolarHBondContact O-N 2.93Å; R89-L92 PolarHBondContact O-N 3.06Å; L92-A94 VanDerWaalsContact C-N 3.29Å; L92-A94 PolarHBondContact O-N 3.17Å; L92-I95 WeakPolarHBondContact O-CB 3.45Å; L92-I95 PolarHBondContact O-N 3.46Å; L92-I95 VanDerWaalsContact O-N 3.08Å; L92-E96 PolarHBondContact O-N 2.94Å; L92-H119 PolarHBondContact O-CD2 3.24Å; L92-H119 PolarHBondContact O-NE2 2.64Å; L92-L122 HydrophobicContact CD2-CB 3.81Å; L92-F126 HydrophobicContact CD1-CB 4.32Å; L92-F126 HydrophobicContact CD1-CD1 3.81Å; L92-F126 HydrophobicContact CD1-CG 4.37Å |
| 93 | K | 90.6 | Very high | 90.4 | Very high | 103 Ų | 103 | 58.3 Ų | 58.3 | 45% | 0.448 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.6 | -34.5 | 176.6 | -166.7 | 167.4 | -169.9 | 163.1 | 0 | 113.3 | R89 K91 E96 Q97 | R89-K93 WeakPolarHBondContact O-CB 3.26Å; R89-K93 PolarHBondContact O-N 3.01Å; K91-K93 VanDerWaalsContact C-N 3.34Å; K91-K93 PolarHBondContact O-N 2.82Å; K93-E96 PolarHBondContact O-N 3.37Å; K93-Q97 WeakPolarHBondContact O-CG 3.37Å; K93-Q97 PolarHBondContact O-N 3.36Å |
| 94 | A | 92.2 | Very high | 89.4 | Confident | 51 Ų | 51 | 54.3 Ų | 54.3 | 42% | 0.421 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -66.8 | -39.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | S90 K91 L92 S98 | S90-A94 PolarHBondContact O-N 2.9Å; S90-A94 VanDerWaalsContact O-N 3.08Å; K91-A94 WeakPolarHBondContact O-CB 3.44Å; K91-A94 PolarHBondContact O-N 3.06Å; L92-A94 VanDerWaalsContact C-N 3.29Å; L92-A94 PolarHBondContact O-N 3.17Å; A94-S98 PolarHBondContact O-N 2.96Å; A94-S98 VanDerWaalsContact O-N 3.09Å |
| 95 | I | 90.8 | Very high | 88.4 | Confident | 2 Ų | 2 | 59.1 Ų | 59.1 | 1% | 0.01 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.1 | -43 | 174.6 | -65.6 | 170.7 | 0 | 0 | 0 | 110.6 | F32 I39 K91 L92 Q97 S98 I99 H119 | F32-I95 HydrophobicContact CE2-CD1 4.09Å; F32-I95 HydrophobicContact CE2-CG1 4.25Å; F32-I95 HydrophobicContact CE2-CG2 3.96Å; I39-I95 HydrophobicContact CD1-CD1 3.52Å; K91-I95 WeakPolarHBondContact O-CG1 3.5Å; K91-I95 PolarHBondContact O-N 3.02Å; K91-I95 VanDerWaalsContact O-N 3.09Å; L92-I95 WeakPolarHBondContact O-CB 3.45Å; L92-I95 PolarHBondContact O-N 3.46Å; L92-I95 VanDerWaalsContact O-N 3.08Å; I95-Q97 PolarHBondContact O-N 3.41Å; I95-S98 WeakPolarHBondContact O-CB 3.44Å; I95-S98 PolarHBondContact O-N 3.25Å; I95-I99 HydrophobicContact CG2-CD1 3.87Å; I95-I99 HydrophobicContact CG2-CG1 4.44Å; I95-I99 WeakPolarHBondContact O-CG1 3.45Å; I95-I99 PolarHBondContact O-N 3.02Å; I95-H119 HydrophobicContact CG2-CB 3.82Å |
| 96 | E | 89 | Confident | 86.9 | Confident | 48 Ų | 48 | 66.5 Ų | 66.5 | 22% | 0.224 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -55.4 | -50.7 | 175.2 | -177 | 179.4 | -149.3 | 0 | 0 | 111.7 | L92 K93 S98 I99 E100 L221 | L92-E96 PolarHBondContact O-N 2.94Å; K93-E96 PolarHBondContact O-N 3.37Å; E96-S98 VanDerWaalsContact C-N 3.29Å; E96-S98 PolarHBondContact O-N 3.45Å; E96-I99 WeakPolarHBondContact O-CB 3.14Å; E96-I99 PolarHBondContact O-N 3.04Å; E96-E100 PolarHBondContact O-N 3.24Å; E96-L221 VanDerWaalsContact OE1-CD2 3.25Å; E96-L221 WeakPolarHBondContact OE1-CD2 3.5Å |
| 97 | Q | 89.9 | Confident | 85.4 | Confident | 112 Ų | 112 | 72.2 Ų | 72.2 | 52% | 0.523 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -60.4 | -38.1 | 177 | -72.3 | 175.6 | -1.2 | 0 | 0 | 112.7 | K93 I95 I99 E100 Q101 | K93-Q97 WeakPolarHBondContact O-CG 3.37Å; K93-Q97 PolarHBondContact O-N 3.36Å; I95-Q97 PolarHBondContact O-N 3.41Å; Q97-I99 VanDerWaalsContact C-N 3.33Å; Q97-E100 PolarHBondContact O-N 3.43Å; Q97-Q101 WeakPolarHBondContact O-CB 3.38Å; Q97-Q101 PolarHBondContact O-N 3.12Å |
| 98 | S | 87.9 | Confident | 83.9 | Confident | 31 Ų | 31 | 71.2 Ų | 71.2 | 22% | 0.217 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63.3 | -39.2 | 174.4 | 179.9 | 0 | 0 | 0 | 0 | 111.7 | A94 I95 E96 E102 R115 | A94-S98 PolarHBondContact O-N 2.96Å; A94-S98 VanDerWaalsContact O-N 3.09Å; I95-S98 WeakPolarHBondContact O-CB 3.44Å; I95-S98 PolarHBondContact O-N 3.25Å; E96-S98 VanDerWaalsContact C-N 3.29Å; E96-S98 PolarHBondContact O-N 3.45Å; S98-E102 WeakPolarHBondContact O-CG 3.33Å; S98-E102 PolarHBondContact O-N 2.68Å; S98-R115 PolarHBondContact OG-NH1 3.18Å |
| 99 | I | 86.9 | Confident | 83 | Confident | 12 Ų | 12 | 72.5 Ų | 72.5 | 6% | 0.062 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -65.4 | -50 | 177.2 | -70.1 | 162.9 | 0 | 0 | 0 | 110.2 | I95 E96 Q97 Q101 E102 E103 L112 R115 K116 H119 | I95-I99 HydrophobicContact CG2-CD1 3.87Å; I95-I99 HydrophobicContact CG2-CG1 4.44Å; I95-I99 WeakPolarHBondContact O-CG1 3.45Å; I95-I99 PolarHBondContact O-N 3.02Å; E96-I99 WeakPolarHBondContact O-CB 3.14Å; E96-I99 PolarHBondContact O-N 3.04Å; Q97-I99 VanDerWaalsContact C-N 3.33Å; I99-Q101 VanDerWaalsContact C-N 3.29Å; I99-Q101 PolarHBondContact O-N 3.27Å; I99-E102 PolarHBondContact O-N 3.44Å; I99-E102 VanDerWaalsContact O-N 3.15Å; I99-E103 HydrophobicContact CG2-CG 4.45Å; I99-E103 WeakPolarHBondContact O-CG 3.47Å; I99-E103 PolarHBondContact O-N 2.86Å; I99-L112 HydrophobicContact CB-CD1 4.44Å; I99-L112 HydrophobicContact CG2-CD1 3.99Å; I99-R115 HydrophobicContact CD1-CB 4.2Å; I99-R115 HydrophobicContact CG1-CB 3.85Å; I99-K116 HydrophobicContact CD1-CG 4.14Å; I99-K116 HydrophobicContact CG1-CG 4.34Å; I99-K116 HydrophobicContact CG2-CD 4.33Å; I99-K116 HydrophobicContact CG2-CG 3.66Å; I99-H119 HydrophobicContact CD1-CB 3.79Å |
| 100 | E | 86.9 | Confident | 82.2 | Confident | 115 Ų | 115 | 71.7 Ų | 71.7 | 54% | 0.537 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -58.9 | -40.3 | 179.9 | -69.4 | 179.7 | 163.6 | 0 | 0 | 112 | E96 Q97 E103 G104 | E96-E100 PolarHBondContact O-N 3.24Å; Q97-E100 PolarHBondContact O-N 3.43Å; E100-E103 PolarHBondContact O-N 2.85Å; E100-G104 PolarHBondContact O-N 2.95Å; E100-G104 VanDerWaalsContact O-N 3.11Å |
| 101 | Q | 85.8 | Confident | 81.7 | Confident | 142 Ų | 142 | 69.7 Ų | 69.7 | 66% | 0.664 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -64 | -41.3 | 177.2 | -173.3 | 179 | 11.3 | 0 | 0 | 112.1 | Q97 I99 | Q97-Q101 WeakPolarHBondContact O-CB 3.38Å; Q97-Q101 PolarHBondContact O-N 3.12Å; I99-Q101 VanDerWaalsContact C-N 3.29Å; I99-Q101 PolarHBondContact O-N 3.27Å |
| 102 | E | 80.3 | Confident | 81.2 | Confident | 36 Ų | 36 | 68 Ų | 68 | 17% | 0.168 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -71.5 | -34.7 | 178.5 | -77.2 | -173.7 | -147 | 0 | 0 | 112.9 | S98 I99 L105 L112 R115 | S98-E102 WeakPolarHBondContact O-CG 3.33Å; S98-E102 PolarHBondContact O-N 2.68Å; I99-E102 PolarHBondContact O-N 3.44Å; I99-E102 VanDerWaalsContact O-N 3.15Å; E102-L105 PolarHBondContact O-N 3.3Å; E102-L112 HydrophobicContact CB-CD1 3.89Å; E102-R115 IonicContact OE1-CZ 2.58Å; E102-R115 IonicContact OE1-NE 3.27Å; E102-R115 PolarHBondContact OE1-NE 2.9Å |
| 103 | E | 79.8 | Confident | 80.6 | Confident | 86 Ų | 86 | 70.4 Ų | 70.4 | 40% | 0.402 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63 | -42.6 | 173.4 | -75.1 | -173 | 135 | 0 | 0 | 112.3 | I99 E100 L105 N106 L112 K116 | I99-E103 HydrophobicContact CG2-CG 4.45Å; I99-E103 WeakPolarHBondContact O-CG 3.47Å; I99-E103 PolarHBondContact O-N 2.86Å; E100-E103 PolarHBondContact O-N 2.85Å; E103-L105 PolarHBondContact O-N 2.93Å; E103-L105 VanDerWaalsContact O-N 3.07Å; E103-N106 PolarHBondContact O-N 3.35Å; E103-L112 HydrophobicContact CG-CD1 4.35Å; E103-L112 HydrophobicContact CG-CD2 4.01Å; E103-K116 WeakPolarHBondContact OE1-CE 3.23Å; E103-K116 IonicContact OE1-NZ 2.7Å; E103-K116 PolarHBondContact OE1-NZ 3.06Å |
| 104 | G | 74.1 | Confident | 80.4 | Confident | 66 Ų | 66 | 67.9 Ų | 67.9 | 68% | 0.68 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -59.5 | -20 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | E100 | E100-G104 PolarHBondContact O-N 2.95Å; E100-G104 VanDerWaalsContact O-N 3.11Å |
| 105 | L | 74.9 | Confident | 80.2 | Confident | 112 Ų | 112 | 67.3 Ų | 67.3 | 59% | 0.586 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | 5 | 176.4 | -61.8 | 173.2 | 0 | 0 | 0 | 113.5 | E102 E103 R107 | E102-L105 PolarHBondContact O-N 3.3Å; E103-L105 PolarHBondContact O-N 2.93Å; E103-L105 VanDerWaalsContact O-N 3.07Å; L105-R107 HydrophobicContact CB-CG 4.29Å; L105-R107 PolarHBondContact O-N 3.39Å; L105-R107 VanDerWaalsContact O-N 3.17Å |
| 106 | N | 62.3 | Low | 80 | Confident | 155 Ų | 155 | 70.6 Ų | 70.6 | 83% | 0.829 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 28.9 | -175.9 | -87.6 | -43.7 | 0 | 0 | 0 | 113.8 | E103 S108 | E103-N106 PolarHBondContact O-N 3.35Å; N106-S108 VanDerWaalsContact C-N 3.35Å; N106-S108 PolarHBondContact O-N 2.81Å |
| 107 | R | 61.6 | Low | 79.8 | Confident | 165 Ų | 165 | 70.6 Ų | 70.6 | 62% | 0.623 | 37% | 0.372 | S | S | * | . | trans | -87.9 | 71.3 | 175.7 | -74.2 | -176.6 | 169 | 176.8 | -2.5 | 110.1 | L105 S109 L112 | L105-R107 HydrophobicContact CB-CG 4.29Å; L105-R107 PolarHBondContact O-N 3.39Å; L105-R107 VanDerWaalsContact O-N 3.17Å; R107-S109 PolarHBondContact O-N 3.3Å; R107-L112 WeakPolarHBondContact O-CD2 3.44Å | ||
| 108 | S | 63.6 | Low | 79.8 | Confident | 69 Ų | 69 | 68.1 Ų | 68.1 | 48% | 0.483 | 36% | 0.36 | S | S | . | . | trans | -64.1 | 105.6 | 161 | -174 | 0 | 0 | 0 | 0 | 106.9 | N106 F242 | N106-S108 VanDerWaalsContact C-N 3.35Å; N106-S108 PolarHBondContact O-N 2.81Å; S108-F242 WeakPolarHBondContact O-CE2 3.28Å; S108-F242 WeakPolarHBondContact O-CZ 3.42Å | ||
| 109 | S | 74.3 | Confident | 79.9 | Confident | 28 Ų | 28 | 67.1 Ų | 67.1 | 20% | 0.196 | 35% | 0.352 | C | S | . | . | trans | -134.7 | 163.4 | -175.1 | 77.5 | 0 | 0 | 0 | 0 | 111 | R107 D111 L112 R113 | R107-S109 PolarHBondContact O-N 3.3Å; S109-D111 PolarHBondContact O-N 3.09Å; S109-D111 PolarHBondContact OG-N 3Å; S109-L112 PolarHBondContact OG-N 3.37Å; S109-L112 VanDerWaalsContact OG-N 3.1Å; S109-R113 WeakPolarHBondContact O-CG 3.44Å; S109-R113 PolarHBondContact O-N 2.88Å; S109-R113 PolarHBondContact O-NE 3.34Å | ||
| 110 | A | 76.3 | Confident | 79.9 | Confident | 49 Ų | 49 | 66.6 Ų | 66.6 | 41% | 0.405 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60.2 | -37.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | R113 I114 | A110-R113 PolarHBondContact O-N 3.04Å; A110-I114 VanDerWaalsContact O-CG1 3.28Å; A110-I114 WeakPolarHBondContact O-CG1 3.39Å; A110-I114 PolarHBondContact O-N 2.82Å |
| 111 | D | 81.9 | Confident | 80 | Confident | 35 Ų | 35 | 64.9 Ų | 64.9 | 19% | 0.187 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -59.4 | -53.2 | 176.3 | -173.3 | 98.9 | 0 | 0 | 0 | 111.7 | M29 S109 R113 I114 R115 | M29-D111 WeakPolarHBondContact CE-OD1 3.5Å; M29-D111 WeakPolarHBondContact CG-OD1 3.47Å; M29-D111 HydrophobicContact SD-CB 4.34Å; S109-D111 PolarHBondContact O-N 3.09Å; S109-D111 PolarHBondContact OG-N 3Å; D111-R113 VanDerWaalsContact C-N 3.28Å; D111-R113 PolarHBondContact O-N 3.28Å; D111-I114 WeakPolarHBondContact O-CB 3.45Å; D111-I114 PolarHBondContact O-N 2.89Å; D111-I114 VanDerWaalsContact O-N 3.1Å; D111-R115 WeakPolarHBondContact O-CG 3.46Å; D111-R115 PolarHBondContact O-N 3.44Å; D111-R115 IonicContact OD1-NH2 2.68Å; D111-R115 IonicContact OD2-CZ 2.98Å; D111-R115 IonicContact OD2-NE 2.66Å; D111-R115 PolarHBondContact OD2-NE 3.4Å; D111-R115 IonicContact OD2-NH2 2.85Å |
| 112 | L | 83.1 | Confident | 80.3 | Confident | 8 Ų | 8 | 58.6 Ų | 58.6 | 4% | 0.042 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -58.2 | -39.5 | 178.9 | -179.7 | 60.5 | 0 | 0 | 0 | 112.4 | I99 E102 E103 R107 S109 R115 K116 | I99-L112 HydrophobicContact CB-CD1 4.44Å; I99-L112 HydrophobicContact CG2-CD1 3.99Å; E102-L112 HydrophobicContact CB-CD1 3.89Å; E103-L112 HydrophobicContact CG-CD1 4.35Å; E103-L112 HydrophobicContact CG-CD2 4.01Å; R107-L112 WeakPolarHBondContact O-CD2 3.44Å; S109-L112 PolarHBondContact OG-N 3.37Å; S109-L112 VanDerWaalsContact OG-N 3.1Å; L112-R115 PolarHBondContact O-N 2.88Å; L112-K116 HydrophobicContact CG-CD 4.43Å; L112-K116 WeakPolarHBondContact O-CG 3.35Å; L112-K116 PolarHBondContact O-N 3.24Å |
| 113 | R | 81.3 | Confident | 80.8 | Confident | 53 Ų | 53 | 57.1 Ų | 57.1 | 20% | 0.2 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -67 | -43.1 | 177.6 | -71.6 | -177.7 | -67.6 | 161.1 | -1.8 | 111.8 | S109 A110 D111 R115 K116 T117 N235 S239 | S109-R113 WeakPolarHBondContact O-CG 3.44Å; S109-R113 PolarHBondContact O-N 2.88Å; S109-R113 PolarHBondContact O-NE 3.34Å; A110-R113 PolarHBondContact O-N 3.04Å; D111-R113 VanDerWaalsContact C-N 3.28Å; D111-R113 PolarHBondContact O-N 3.28Å; R113-R115 VanDerWaalsContact C-N 3.33Å; R113-R115 PolarHBondContact O-N 3.15Å; R113-K116 PolarHBondContact O-N 3.44Å; R113-T117 PolarHBondContact O-N 3Å; R113-T117 PolarHBondContact O-OG1 3.37Å; R113-T117 VanDerWaalsContact O-OG1 3.06Å; R113-N235 PolarHBondContact NH1-O 3.42Å; R113-S239 VanDerWaalsContact NH1-CA 3.31Å; R113-S239 PolarHBondContact NH1-OG 3.44Å |
| 114 | I | 85 | Confident | 81.2 | Confident | 50 Ų | 50 | 59.3 Ų | 59.3 | 26% | 0.256 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -59.5 | -46.3 | 174.9 | -69 | 164.8 | 0 | 0 | 0 | 110.1 | F28 M29 F32 F33 A110 D111 K116 T117 Q118 | F28-I114 HydrophobicContact CE1-CD1 3.74Å; F28-I114 HydrophobicContact CZ-CD1 3.81Å; M29-I114 HydrophobicContact CE-CB 4.21Å; M29-I114 HydrophobicContact CE-CG2 3.94Å; M29-I114 HydrophobicContact SD-CB 3.98Å; M29-I114 HydrophobicContact SD-CD1 3.89Å; M29-I114 HydrophobicContact SD-CG2 3.8Å; F32-I114 HydrophobicContact CE1-CG2 4.05Å; F33-I114 HydrophobicContact CE1-CG2 4.04Å; F33-I114 HydrophobicContact CZ-CG2 4Å; A110-I114 VanDerWaalsContact O-CG1 3.28Å; A110-I114 WeakPolarHBondContact O-CG1 3.39Å; A110-I114 PolarHBondContact O-N 2.82Å; D111-I114 WeakPolarHBondContact O-CB 3.45Å; D111-I114 PolarHBondContact O-N 2.89Å; D111-I114 VanDerWaalsContact O-N 3.1Å; I114-K116 PolarHBondContact O-N 3.48Å; I114-T117 PolarHBondContact O-N 3.2Å; I114-Q118 HydrophobicContact CG2-CG 4.25Å; I114-Q118 WeakPolarHBondContact O-CB 3.43Å; I114-Q118 VanDerWaalsContact O-CG 3.27Å; I114-Q118 WeakPolarHBondContact O-CG 3.48Å; I114-Q118 PolarHBondContact O-N 3.48Å |
| 115 | R | 88.9 | Confident | 82 | Confident | 40 Ų | 40 | 59.4 Ų | 59.4 | 15% | 0.151 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -57.3 | -50.1 | 177.4 | -67.8 | 179.2 | -175.7 | -92.3 | -9.1 | 112.4 | M29 F32 S98 I99 E102 D111 L112 R113 Q118 H119 | M29-R115 HydrophobicContact CE-CG 3.58Å; F32-R115 HydrophobicContact CD1-CG 4.48Å; F32-R115 HydrophobicContact CD2-CG 4.08Å; F32-R115 HydrophobicContact CE1-CG 4.25Å; F32-R115 HydrophobicContact CE2-CB 4.24Å; F32-R115 HydrophobicContact CE2-CG 3.85Å; F32-R115 HydrophobicContact CG-CG 4.39Å; F32-R115 HydrophobicContact CZ-CB 4.14Å; F32-R115 HydrophobicContact CZ-CG 3.94Å; S98-R115 PolarHBondContact OG-NH1 3.18Å; I99-R115 HydrophobicContact CD1-CB 4.2Å; I99-R115 HydrophobicContact CG1-CB 3.85Å; E102-R115 IonicContact OE1-CZ 2.58Å; E102-R115 IonicContact OE1-NE 3.27Å; E102-R115 PolarHBondContact OE1-NE 2.9Å; D111-R115 WeakPolarHBondContact O-CG 3.46Å; D111-R115 PolarHBondContact O-N 3.44Å; D111-R115 IonicContact OD1-NH2 2.68Å; D111-R115 IonicContact OD2-CZ 2.98Å; D111-R115 IonicContact OD2-NE 2.66Å; D111-R115 PolarHBondContact OD2-NE 3.4Å; D111-R115 IonicContact OD2-NH2 2.85Å; L112-R115 PolarHBondContact O-N 2.88Å; R113-R115 VanDerWaalsContact C-N 3.33Å; R113-R115 PolarHBondContact O-N 3.15Å; R115-Q118 PolarHBondContact O-N 2.87Å; R115-H119 VanDerWaalsContact O-CB 3.24Å; R115-H119 WeakPolarHBondContact O-CB 3.44Å; R115-H119 PolarHBondContact O-N 3.26Å |
| 116 | K | 85.9 | Confident | 82.8 | Confident | 71 Ų | 71 | 54.2 Ų | 54.2 | 31% | 0.309 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59.5 | -47.8 | 178.2 | -76.4 | 178.1 | 172 | -170.3 | 0 | 112.9 | I99 E103 L112 R113 I114 S120 | I99-K116 HydrophobicContact CD1-CG 4.14Å; I99-K116 HydrophobicContact CG1-CG 4.34Å; I99-K116 HydrophobicContact CG2-CD 4.33Å; I99-K116 HydrophobicContact CG2-CG 3.66Å; E103-K116 WeakPolarHBondContact OE1-CE 3.23Å; E103-K116 IonicContact OE1-NZ 2.7Å; E103-K116 PolarHBondContact OE1-NZ 3.06Å; L112-K116 HydrophobicContact CG-CD 4.43Å; L112-K116 WeakPolarHBondContact O-CG 3.35Å; L112-K116 PolarHBondContact O-N 3.24Å; R113-K116 PolarHBondContact O-N 3.44Å; I114-K116 PolarHBondContact O-N 3.48Å; K116-S120 WeakPolarHBondContact O-CB 3.41Å; K116-S120 PolarHBondContact O-N 2.95Å |
| 117 | T | 85 | Confident | 84.2 | Confident | 47 Ų | 47 | 48.4 Ų | 48.4 | 29% | 0.288 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -62.3 | -48.6 | 179.7 | -58.9 | 0 | 0 | 0 | 0 | 110.9 | R113 I114 S120 T121 | R113-T117 PolarHBondContact O-N 3Å; R113-T117 PolarHBondContact O-OG1 3.37Å; R113-T117 VanDerWaalsContact O-OG1 3.06Å; I114-T117 PolarHBondContact O-N 3.2Å; T117-S120 PolarHBondContact O-N 2.64Å; T117-T121 PolarHBondContact O-N 2.92Å; T117-T121 PolarHBondContact O-OG1 3.49Å; T117-T121 VanDerWaalsContact O-OG1 3.12Å |
| 118 | Q | 89.9 | Confident | 85.6 | Confident | 60 Ų | 60 | 46.9 Ų | 46.9 | 28% | 0.28 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -63.9 | -45.4 | 179.6 | -70 | -65.3 | -14 | 0 | 0 | 112.2 | F32 V36 I114 R115 S120 T121 L122 | F32-Q118 HydrophobicContact CE1-CB 4.04Å; F32-Q118 HydrophobicContact CE1-CG 3.95Å; F32-Q118 HydrophobicContact CZ-CB 3.75Å; F32-Q118 HydrophobicContact CZ-CG 4.2Å; V36-Q118 HydrophobicContact CG2-CB 4.03Å; V36-Q118 HydrophobicContact CG2-CG 4.36Å; I114-Q118 HydrophobicContact CG2-CG 4.25Å; I114-Q118 WeakPolarHBondContact O-CB 3.43Å; I114-Q118 VanDerWaalsContact O-CG 3.27Å; I114-Q118 WeakPolarHBondContact O-CG 3.48Å; I114-Q118 PolarHBondContact O-N 3.48Å; R115-Q118 PolarHBondContact O-N 2.87Å; Q118-S120 PolarHBondContact O-N 3.21Å; Q118-T121 PolarHBondContact O-N 3.04Å; Q118-L122 WeakPolarHBondContact O-CB 3.4Å; Q118-L122 VanDerWaalsContact O-CG 3.28Å; Q118-L122 WeakPolarHBondContact O-CG 3.49Å; Q118-L122 PolarHBondContact O-N 3.23Å |
| 119 | H | 90.2 | Very high | 87 | Confident | 10 Ų | 10 | 44.3 Ų | 44.3 | 5% | 0.046 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -53.8 | -44.5 | 174.7 | 177.5 | -102 | 0 | 0 | 0 | 111.3 | L92 I95 I99 R115 S123 Q225 | L92-H119 PolarHBondContact O-CD2 3.24Å; L92-H119 PolarHBondContact O-NE2 2.64Å; I95-H119 HydrophobicContact CG2-CB 3.82Å; I99-H119 HydrophobicContact CD1-CB 3.79Å; R115-H119 VanDerWaalsContact O-CB 3.24Å; R115-H119 WeakPolarHBondContact O-CB 3.44Å; R115-H119 PolarHBondContact O-N 3.26Å; H119-S123 VanDerWaalsContact O-CB 3.24Å; H119-S123 WeakPolarHBondContact O-CB 3.45Å; H119-S123 PolarHBondContact O-N 3.38Å; H119-S123 PolarHBondContact O-OG 3.44Å; H119-Q225 PolarHBondContact CE1-NE2 3.12Å |
| 120 | S | 87.1 | Confident | 87.9 | Confident | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.014 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -70.2 | -44.6 | -178.9 | -171.4 | 0 | 0 | 0 | 0 | 113.9 | K116 T117 Q118 L122 S123 R124 Q225 I229 | K116-S120 WeakPolarHBondContact O-CB 3.41Å; K116-S120 PolarHBondContact O-N 2.95Å; T117-S120 PolarHBondContact O-N 2.64Å; Q118-S120 PolarHBondContact O-N 3.21Å; S120-L122 VanDerWaalsContact C-N 3.35Å; S120-L122 PolarHBondContact O-N 3.31Å; S120-S123 PolarHBondContact O-N 3.1Å; S120-R124 WeakPolarHBondContact O-CB 3.15Å; S120-R124 PolarHBondContact O-N 2.88Å; S120-Q225 PolarHBondContact OG-OE1 3.22Å; S120-I229 WeakPolarHBondContact OG-CD1 3.32Å |
| 121 | T | 87.9 | Confident | 88.6 | Confident | 79 Ų | 79 | 44 Ų | 44 | 49% | 0.485 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -59.6 | -46.5 | 176.2 | -59.1 | 0 | 0 | 0 | 0 | 111.3 | T117 Q118 R124 K125 | T117-T121 PolarHBondContact O-N 2.92Å; T117-T121 PolarHBondContact O-OG1 3.49Å; T117-T121 VanDerWaalsContact O-OG1 3.12Å; Q118-T121 PolarHBondContact O-N 3.04Å; T121-R124 PolarHBondContact O-N 3.37Å; T121-K125 PolarHBondContact O-N 3.14Å; T121-K125 VanDerWaalsContact O-N 3.08Å |
| 122 | L | 92.6 | Very high | 89.1 | Confident | 10 Ų | 10 | 45.6 Ų | 45.6 | 5% | 0.052 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.9 | -41.7 | 179 | -66.7 | 172.4 | 0 | 0 | 0 | 112.1 | V36 I39 R40 I43 L92 Q118 S120 R124 K125 F126 | V36-L122 HydrophobicContact CB-CD1 4.31Å; V36-L122 HydrophobicContact CG1-CD1 4.1Å; V36-L122 HydrophobicContact CG2-CD1 4.12Å; I39-L122 HydrophobicContact CB-CD1 4.09Å; I39-L122 HydrophobicContact CD1-CD1 4.15Å; I39-L122 HydrophobicContact CG2-CB 4.21Å; I39-L122 HydrophobicContact CG2-CD1 3.95Å; I39-L122 HydrophobicContact CG2-CD2 4.15Å; I39-L122 HydrophobicContact CG2-CG 4.35Å; R40-L122 HydrophobicContact CB-CD2 4.29Å; I43-L122 HydrophobicContact CD1-CB 4.44Å; I43-L122 HydrophobicContact CD1-CD2 4.27Å; L92-L122 HydrophobicContact CD2-CB 3.81Å; Q118-L122 WeakPolarHBondContact O-CB 3.4Å; Q118-L122 VanDerWaalsContact O-CG 3.28Å; Q118-L122 WeakPolarHBondContact O-CG 3.49Å; Q118-L122 PolarHBondContact O-N 3.23Å; S120-L122 VanDerWaalsContact C-N 3.35Å; S120-L122 PolarHBondContact O-N 3.31Å; L122-R124 PolarHBondContact O-N 2.94Å; L122-K125 PolarHBondContact O-N 2.97Å; L122-F126 WeakPolarHBondContact O-CB 3.48Å; L122-F126 PolarHBondContact O-N 3.36Å |
| 123 | S | 90.9 | Very high | 89.7 | Confident | 5 Ų | 5 | 45.3 Ų | 45.3 | 4% | 0.035 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.4 | -47.7 | 175.9 | -64.7 | 0 | 0 | 0 | 0 | 111.3 | H119 S120 K125 F126 V127 | H119-S123 VanDerWaalsContact O-CB 3.24Å; H119-S123 WeakPolarHBondContact O-CB 3.45Å; H119-S123 PolarHBondContact O-N 3.38Å; H119-S123 PolarHBondContact O-OG 3.44Å; S120-S123 PolarHBondContact O-N 3.1Å; S123-K125 PolarHBondContact O-N 3.39Å; S123-F126 PolarHBondContact O-N 3.36Å; S123-V127 WeakPolarHBondContact O-CG2 3.41Å; S123-V127 PolarHBondContact O-N 3.49Å |
| 124 | R | 87.4 | Confident | 90.2 | Very high | 131 Ų | 131 | 45.2 Ų | 45.2 | 49% | 0.494 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -60.5 | -47.5 | 178.2 | -173.1 | -176.4 | -53.8 | -79.4 | -5.9 | 111.9 | S120 T121 L122 F126 V127 E128 | S120-R124 WeakPolarHBondContact O-CB 3.15Å; S120-R124 PolarHBondContact O-N 2.88Å; T121-R124 PolarHBondContact O-N 3.37Å; L122-R124 PolarHBondContact O-N 2.94Å; R124-F126 VanDerWaalsContact C-N 3.31Å; R124-F126 PolarHBondContact O-N 3.43Å; R124-V127 PolarHBondContact O-N 2.99Å; R124-E128 PolarHBondContact O-N 3.37Å |
| 125 | K | 91.6 | Very high | 90.5 | Very high | 68 Ų | 68 | 45 Ų | 45 | 30% | 0.296 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -63.8 | -38.3 | 179.5 | -164.3 | -179.8 | 173.7 | -171.6 | 0 | 111.6 | I43 D44 T121 L122 S123 E128 V129 | I43-K125 HydrophobicContact CG2-CB 4.43Å; I43-K125 HydrophobicContact CG2-CD 3.95Å; I43-K125 HydrophobicContact CG2-CG 3.84Å; D44-K125 IonicContact OD1-NZ 2.69Å; D44-K125 PolarHBondContact OD1-NZ 3.21Å; T121-K125 PolarHBondContact O-N 3.14Å; T121-K125 VanDerWaalsContact O-N 3.08Å; L122-K125 PolarHBondContact O-N 2.97Å; S123-K125 PolarHBondContact O-N 3.39Å; K125-E128 PolarHBondContact O-N 2.87Å; K125-V129 WeakPolarHBondContact O-CG2 3.18Å; K125-V129 PolarHBondContact O-N 2.99Å; K125-V129 VanDerWaalsContact O-N 3.14Å |
| 126 | F | 92.8 | Very high | 90.8 | Very high | 3 Ų | 3 | 43.5 Ų | 43.5 | 1% | 0.013 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.5 | -43.7 | 174.3 | 179.8 | -132.5 | 0 | 0 | 0 | 111.8 | I43 L46 A85 V88 R89 L92 L122 S123 R124 E128 V129 M130 M214 M218 | I43-F126 HydrophobicContact CD1-CB 3.93Å; I43-F126 HydrophobicContact CG1-CB 4.2Å; I43-F126 HydrophobicContact CG1-CD2 4.43Å; L46-F126 HydrophobicContact CD1-CD2 3.95Å; L46-F126 HydrophobicContact CD1-CE2 3.66Å; A85-F126 HydrophobicContact CB-CE2 3.97Å; A85-F126 HydrophobicContact CB-CZ 4.04Å; A85-F126 WeakPolarHBondContact O-CZ 3.45Å; V88-F126 HydrophobicContact CB-CD2 4.19Å; V88-F126 HydrophobicContact CB-CE2 4.01Å; V88-F126 HydrophobicContact CB-CZ 4.19Å; V88-F126 HydrophobicContact CG1-CB 4.13Å; V88-F126 HydrophobicContact CG1-CD1 3.75Å; V88-F126 HydrophobicContact CG1-CD2 3.6Å; V88-F126 HydrophobicContact CG1-CE1 4.02Å; V88-F126 HydrophobicContact CG1-CE2 3.87Å; V88-F126 HydrophobicContact CG1-CG 3.54Å; V88-F126 HydrophobicContact CG1-CZ 4.07Å; R89-F126 HydrophobicContact CB-CE1 4.38Å; L92-F126 HydrophobicContact CD1-CB 4.32Å; L92-F126 HydrophobicContact CD1-CD1 3.81Å; L92-F126 HydrophobicContact CD1-CG 4.37Å; L122-F126 WeakPolarHBondContact O-CB 3.48Å; L122-F126 PolarHBondContact O-N 3.36Å; S123-F126 PolarHBondContact O-N 3.36Å; R124-F126 VanDerWaalsContact C-N 3.31Å; R124-F126 PolarHBondContact O-N 3.43Å; F126-E128 PolarHBondContact O-N 2.62Å; F126-V129 PolarHBondContact O-N 3.27Å; F126-M130 HydrophobicContact CD2-CG 3.87Å; F126-M130 HydrophobicContact CE2-CG 3.48Å; F126-M130 VanDerWaalsContact CE2-CG 3.48Å; F126-M130 HydrophobicContact CE2-SD 3.86Å; F126-M130 HydrophobicContact CZ-CG 3.88Å; F126-M130 HydrophobicContact CZ-SD 4.42Å; F126-M130 WeakPolarHBondContact O-CG 3.37Å; F126-M130 PolarHBondContact O-N 2.87Å; F126-M214 HydrophobicContact CE1-SD 4.39Å; F126-M214 HydrophobicContact CZ-CG 4.4Å; F126-M214 HydrophobicContact CZ-SD 3.68Å; F126-M218 HydrophobicContact CB-CE 4.27Å; F126-M218 HydrophobicContact CD1-CE 3.2Å; F126-M218 HydrophobicContact CD1-CG 4.47Å; F126-M218 HydrophobicContact CD1-SD 3.83Å; F126-M218 HydrophobicContact CD2-CE 4.4Å; F126-M218 HydrophobicContact CE1-CE 3.47Å; F126-M218 VanDerWaalsContact CE1-CE 3.47Å; F126-M218 HydrophobicContact CE1-CG 4.21Å; F126-M218 HydrophobicContact CE1-SD 3.41Å; F126-M218 WeakPolarHBondContact CE1-SD 3.31Å; F126-M218 HydrophobicContact CG-CE 3.71Å; F126-M218 HydrophobicContact CZ-CE 4.18Å; F126-M218 HydrophobicContact CZ-SD 3.98Å |
| 127 | V | 90.4 | Very high | 91.1 | Very high | 33 Ų | 33 | 40.3 Ų | 40.3 | 20% | 0.2 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.4 | -43.9 | 175.2 | 178.2 | 0 | 0 | 0 | 0 | 112.2 | S123 R124 M130 T131 M218 V222 | S123-V127 WeakPolarHBondContact O-CG2 3.41Å; S123-V127 PolarHBondContact O-N 3.49Å; R124-V127 PolarHBondContact O-N 2.99Å; V127-M130 PolarHBondContact O-N 2.83Å; V127-T131 VanDerWaalsContact O-CB 3.27Å; V127-T131 WeakPolarHBondContact O-CB 3.47Å; V127-T131 PolarHBondContact O-N 2.85Å; V127-T131 PolarHBondContact O-OG1 3.09Å; V127-M218 HydrophobicContact CB-CE 3.78Å; V127-M218 HydrophobicContact CG2-CB 4.16Å; V127-M218 HydrophobicContact CG2-CE 3.33Å; V127-M218 VanDerWaalsContact N-CE 3.27Å; V127-V222 HydrophobicContact CB-CG2 4.35Å; V127-V222 HydrophobicContact CG1-CG2 4.31Å; V127-V222 HydrophobicContact CG2-CG2 3.48Å; V127-V222 VanDerWaalsContact CG2-CG2 3.48Å |
| 128 | E | 90.6 | Very high | 91.5 | Very high | 134 Ų | 134 | 40.5 Ų | 40.5 | 63% | 0.626 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -57.3 | -51.1 | 177.1 | -174.5 | 179.7 | 177.8 | 0 | 0 | 111.3 | R124 K125 F126 M130 T131 E132 | R124-E128 PolarHBondContact O-N 3.37Å; K125-E128 PolarHBondContact O-N 2.87Å; F126-E128 PolarHBondContact O-N 2.62Å; E128-M130 PolarHBondContact O-N 2.9Å; E128-T131 PolarHBondContact O-N 2.68Å; E128-E132 PolarHBondContact O-N 2.98Å |
| 129 | V | 94.5 | Very high | 91.7 | Very high | 14 Ų | 14 | 43.4 Ų | 43.4 | 9% | 0.085 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.4 | -42.9 | 179.7 | 174.7 | 0 | 0 | 0 | 0 | 111.9 | I43 L46 V50 K125 F126 T131 E132 Y133 | I43-V129 HydrophobicContact CG2-CG2 4.04Å; L46-V129 HydrophobicContact CB-CG1 3.78Å; V50-V129 HydrophobicContact CG2-CG1 4.26Å; K125-V129 WeakPolarHBondContact O-CG2 3.18Å; K125-V129 PolarHBondContact O-N 2.99Å; K125-V129 VanDerWaalsContact O-N 3.14Å; F126-V129 PolarHBondContact O-N 3.27Å; V129-T131 VanDerWaalsContact C-N 3.34Å; V129-T131 PolarHBondContact O-N 3.48Å; V129-E132 PolarHBondContact O-N 2.99Å; V129-Y133 PolarHBondContact O-N 2.98Å |
| 130 | M | 92.4 | Very high | 92 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -69.8 | -32.2 | 179.2 | -67.3 | -53.7 | -58.4 | 0 | 0 | 112.6 | A85 F126 V127 E128 Y133 N134 L211 M214 F215 M218 | A85-M130 HydrophobicContact CB-CE 4.18Å; A85-M130 HydrophobicContact CB-SD 3.87Å; F126-M130 HydrophobicContact CD2-CG 3.87Å; F126-M130 HydrophobicContact CE2-CG 3.48Å; F126-M130 VanDerWaalsContact CE2-CG 3.48Å; F126-M130 HydrophobicContact CE2-SD 3.86Å; F126-M130 HydrophobicContact CZ-CG 3.88Å; F126-M130 HydrophobicContact CZ-SD 4.42Å; F126-M130 WeakPolarHBondContact O-CG 3.37Å; F126-M130 PolarHBondContact O-N 2.87Å; V127-M130 PolarHBondContact O-N 2.83Å; E128-M130 PolarHBondContact O-N 2.9Å; M130-Y133 HydrophobicContact CE-CD1 4.3Å; M130-Y133 WeakPolarHBondContact O-CB 3.35Å; M130-Y133 PolarHBondContact O-N 2.86Å; M130-N134 PolarHBondContact O-N 2.58Å; M130-L211 HydrophobicContact CE-CD1 3.98Å; M130-L211 HydrophobicContact CE-CD2 4.26Å; M130-M214 HydrophobicContact CE-SD 3.94Å; M130-M214 HydrophobicContact SD-SD 4.5Å; M130-F215 HydrophobicContact CB-CE1 3.79Å; M130-F215 HydrophobicContact CB-CZ 4.32Å; M130-F215 HydrophobicContact CE-CZ 4.39Å; M130-F215 WeakPolarHBondContact O-CE1 3.38Å; M130-F215 WeakPolarHBondContact O-CZ 3.4Å; M130-M218 HydrophobicContact CB-CE 4.18Å; M130-M218 HydrophobicContact CB-SD 4.35Å; M130-M218 HydrophobicContact CG-CE 4.09Å; M130-M218 HydrophobicContact CG-SD 4.17Å |
| 131 | T | 90.9 | Very high | 92.4 | Very high | 70 Ų | 70 | 44.7 Ų | 44.7 | 43% | 0.429 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -67.4 | -40 | 173.4 | -57.8 | 0 | 0 | 0 | 0 | 110.9 | V127 E128 V129 Y133 N134 T135 | V127-T131 VanDerWaalsContact O-CB 3.27Å; V127-T131 WeakPolarHBondContact O-CB 3.47Å; V127-T131 PolarHBondContact O-N 2.85Å; V127-T131 PolarHBondContact O-OG1 3.09Å; E128-T131 PolarHBondContact O-N 2.68Å; V129-T131 VanDerWaalsContact C-N 3.34Å; V129-T131 PolarHBondContact O-N 3.48Å; T131-Y133 VanDerWaalsContact C-N 3.35Å; T131-N134 PolarHBondContact O-N 3.36Å; T131-T135 WeakPolarHBondContact O-CB 3.44Å; T131-T135 PolarHBondContact O-N 3.19Å; T131-T135 PolarHBondContact O-OG1 3.19Å |
| 132 | E | 93.3 | Very high | 92.7 | Very high | 70 Ų | 70 | 45 Ų | 45 | 33% | 0.327 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -65.4 | -38.3 | 174.2 | -176.3 | 59.1 | -158.7 | 0 | 0 | 111.8 | V50 K54 E128 V129 T135 T136 | V50-E132 HydrophobicContact CG1-CG 4.24Å; K54-E132 VanDerWaalsContact CE-OE1 3.31Å; K54-E132 WeakPolarHBondContact CE-OE1 3.48Å; K54-E132 IonicContact NZ-OE1 2.78Å; K54-E132 PolarHBondContact NZ-OE1 2.99Å; E128-E132 PolarHBondContact O-N 2.98Å; V129-E132 PolarHBondContact O-N 2.99Å; E132-T135 PolarHBondContact O-N 3.23Å; E132-T136 WeakPolarHBondContact O-CB 3.39Å; E132-T136 PolarHBondContact O-N 3.44Å; E132-T136 PolarHBondContact O-OG1 3.26Å |
| 133 | Y | 94.1 | Very high | 92.8 | Very high | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.008 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.6 | -51.2 | 171.6 | -179.2 | -109.1 | 0 | 0 | 0 | 111.4 | V50 V53 I81 V129 M130 T131 T135 T136 Q137 S207 L211 | V50-Y133 HydrophobicContact CG2-CD2 3.86Å; V50-Y133 HydrophobicContact CG2-CG 4.23Å; V53-Y133 HydrophobicContact CG1-CE2 4.43Å; V53-Y133 HydrophobicContact CG2-CE2 4.47Å; I81-Y133 HydrophobicContact CD1-CD2 3.83Å; I81-Y133 HydrophobicContact CD1-CE2 3.47Å; I81-Y133 VanDerWaalsContact CD1-CE2 3.47Å; I81-Y133 HydrophobicContact CG2-CD2 4.4Å; I81-Y133 HydrophobicContact CG2-CE1 4.4Å; I81-Y133 HydrophobicContact CG2-CE2 4.2Å; V129-Y133 PolarHBondContact O-N 2.98Å; M130-Y133 HydrophobicContact CE-CD1 4.3Å; M130-Y133 WeakPolarHBondContact O-CB 3.35Å; M130-Y133 PolarHBondContact O-N 2.86Å; T131-Y133 VanDerWaalsContact C-N 3.35Å; Y133-T135 VanDerWaalsContact C-N 3.32Å; Y133-T135 PolarHBondContact O-N 3.29Å; Y133-T136 WeakPolarHBondContact O-CB 2.98Å; Y133-T136 PolarHBondContact O-N 3.15Å; Y133-T136 VanDerWaalsContact O-N 3.1Å; Y133-Q137 HydrophobicContact CD1-CG 4.32Å; Y133-Q137 HydrophobicContact CD2-CG 4.49Å; Y133-Q137 HydrophobicContact CE1-CG 3.92Å; Y133-Q137 HydrophobicContact CE2-CG 4.17Å; Y133-Q137 WeakPolarHBondContact O-CG 3.32Å; Y133-Q137 PolarHBondContact O-N 2.58Å; Y133-Q137 PolarHBondContact OH-NE2 3.19Å; Y133-S207 PolarHBondContact OH-OG 3.47Å; Y133-S207 VanDerWaalsContact OH-OG 3.06Å; Y133-L211 HydrophobicContact CD1-CD1 3.8Å; Y133-L211 HydrophobicContact CE1-CD1 3.34Å |
| 134 | N | 91.9 | Very high | 93 | Very high | 50 Ų | 50 | 51.5 Ų | 51.5 | 27% | 0.267 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -59.1 | -44.6 | 178.3 | -172.6 | 57.8 | 0 | 0 | 0 | 111.8 | M130 T131 T136 Q137 S138 F215 | M130-N134 PolarHBondContact O-N 2.58Å; T131-N134 PolarHBondContact O-N 3.36Å; N134-T136 VanDerWaalsContact C-N 3.27Å; N134-T136 PolarHBondContact O-N 3.16Å; N134-Q137 PolarHBondContact O-N 2.66Å; N134-Q137 VanDerWaalsContact O-N 3.17Å; N134-S138 PolarHBondContact O-N 3.5Å; N134-S138 PolarHBondContact O-OG 2.72Å; N134-F215 HydrophobicContact CB-CE1 4.34Å; N134-F215 HydrophobicContact CB-CE2 4.26Å; N134-F215 HydrophobicContact CB-CZ 3.71Å |
| 135 | T | 92.9 | Very high | 93.3 | Very high | 47 Ų | 47 | 46.3 Ų | 46.3 | 29% | 0.288 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -60.3 | -38.8 | 176.5 | -59.8 | 0 | 0 | 0 | 0 | 111.7 | T131 E132 Y133 K139 | T131-T135 WeakPolarHBondContact O-CB 3.44Å; T131-T135 PolarHBondContact O-N 3.19Å; T131-T135 PolarHBondContact O-OG1 3.19Å; E132-T135 PolarHBondContact O-N 3.23Å; Y133-T135 VanDerWaalsContact C-N 3.32Å; Y133-T135 PolarHBondContact O-N 3.29Å; T135-K139 HydrophobicContact CG2-CD 4.2Å; T135-K139 WeakPolarHBondContact O-CB 3.43Å; T135-K139 VanDerWaalsContact O-CG 3.26Å; T135-K139 WeakPolarHBondContact O-CG 3.44Å; T135-K139 PolarHBondContact O-N 3.5Å |
| 136 | T | 93.8 | Very high | 93.4 | Very high | 8 Ų | 8 | 46.8 Ų | 46.8 | 5% | 0.049 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.7 | -45.2 | 175.3 | -64.4 | 0 | 0 | 0 | 0 | 111.4 | V53 K54 E132 Y133 N134 K139 Y140 | V53-T136 HydrophobicContact CG1-CG2 4.26Å; K54-T136 WeakPolarHBondContact CE-OG1 3.08Å; K54-T136 HydrophobicContact CG-CG2 3.47Å; K54-T136 VanDerWaalsContact CG-CG2 3.47Å; E132-T136 WeakPolarHBondContact O-CB 3.39Å; E132-T136 PolarHBondContact O-N 3.44Å; E132-T136 PolarHBondContact O-OG1 3.26Å; Y133-T136 WeakPolarHBondContact O-CB 2.98Å; Y133-T136 PolarHBondContact O-N 3.15Å; Y133-T136 VanDerWaalsContact O-N 3.1Å; N134-T136 VanDerWaalsContact C-N 3.27Å; N134-T136 PolarHBondContact O-N 3.16Å; T136-K139 PolarHBondContact O-N 3.01Å; T136-Y140 PolarHBondContact O-N 2.84Å |
| 137 | Q | 93.3 | Very high | 93.4 | Very high | 4 Ų | 4 | 50.5 Ų | 50.5 | 2% | 0.019 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.8 | -48 | 177.1 | -63.7 | -65 | -22.5 | 0 | 0 | 111.2 | Y133 N134 K139 Y140 R141 L204 I208 | Y133-Q137 HydrophobicContact CD1-CG 4.32Å; Y133-Q137 HydrophobicContact CD2-CG 4.49Å; Y133-Q137 HydrophobicContact CE1-CG 3.92Å; Y133-Q137 HydrophobicContact CE2-CG 4.17Å; Y133-Q137 WeakPolarHBondContact O-CG 3.32Å; Y133-Q137 PolarHBondContact O-N 2.58Å; Y133-Q137 PolarHBondContact OH-NE2 3.19Å; N134-Q137 PolarHBondContact O-N 2.66Å; N134-Q137 VanDerWaalsContact O-N 3.17Å; Q137-K139 VanDerWaalsContact C-N 3.34Å; Q137-K139 PolarHBondContact O-N 3.27Å; Q137-Y140 WeakPolarHBondContact O-CB 3.45Å; Q137-Y140 PolarHBondContact O-N 3.01Å; Q137-R141 PolarHBondContact O-N 2.7Å; Q137-L204 HydrophobicContact CB-CD1 3.91Å; Q137-L204 HydrophobicContact CB-CD2 4.39Å; Q137-L204 HydrophobicContact CB-CG 4.07Å; Q137-L204 VanDerWaalsContact O-CD1 3.23Å; Q137-L204 WeakPolarHBondContact O-CD1 3.46Å; Q137-L204 VanDerWaalsContact OE1-CG 3.24Å; Q137-I208 HydrophobicContact CB-CD1 3.86Å; Q137-I208 HydrophobicContact CB-CG1 4.09Å; Q137-I208 HydrophobicContact CG-CG1 4.46Å |
| 138 | S | 93.6 | Very high | 93.5 | Very high | 50 Ų | 50 | 48.9 Ų | 48.9 | 35% | 0.35 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -57.8 | -44.9 | 176.9 | -59.9 | 0 | 0 | 0 | 0 | 112.3 | N134 Y140 R141 D142 | N134-S138 PolarHBondContact O-N 3.5Å; N134-S138 PolarHBondContact O-OG 2.72Å; S138-Y140 VanDerWaalsContact C-N 3.3Å; S138-Y140 PolarHBondContact O-N 3.3Å; S138-R141 WeakPolarHBondContact O-CB 3.39Å; S138-R141 PolarHBondContact O-N 2.94Å; S138-D142 PolarHBondContact O-N 3.47Å |
| 139 | K | 94.6 | Very high | 93.6 | Very high | 122 Ų | 122 | 44.1 Ų | 44.1 | 53% | 0.53 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -59.8 | -40.8 | 174.9 | -74.9 | 170.6 | -177 | 167.6 | 0 | 111.9 | T135 T136 Q137 R143 | T135-K139 HydrophobicContact CG2-CD 4.2Å; T135-K139 WeakPolarHBondContact O-CB 3.43Å; T135-K139 VanDerWaalsContact O-CG 3.26Å; T135-K139 WeakPolarHBondContact O-CG 3.44Å; T135-K139 PolarHBondContact O-N 3.5Å; T136-K139 PolarHBondContact O-N 3.01Å; Q137-K139 VanDerWaalsContact C-N 3.34Å; Q137-K139 PolarHBondContact O-N 3.27Å; K139-R143 WeakPolarHBondContact O-CG 3.43Å; K139-R143 PolarHBondContact O-N 3.17Å |
| 140 | Y | 95.1 | Very high | 93.5 | Very high | 10 Ų | 10 | 51.6 Ų | 51.6 | 4% | 0.039 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.3 | -43.3 | 177.7 | -175.2 | -108.3 | 0 | 0 | 0 | 112.1 | H57 I60 L61 T136 Q137 S138 D142 R143 C144 E200 L204 | H57-Y140 HydrophobicContact CB-CD2 3.33Å; H57-Y140 HydrophobicContact CB-CE2 3.53Å; H57-Y140 HydrophobicContact CB-CG 4.1Å; H57-Y140 AromaticContact CD2-CD2 3.93Å; H57-Y140 AromaticContact CD2-CG 3.79Å; H57-Y140 AromaticContact CE1-CD1 3.54Å; H57-Y140 AromaticContact CE1-CE1 3.87Å; H57-Y140 AromaticContact CE1-CG 3.65Å; H57-Y140 AromaticContact CG-CD2 3.28Å; H57-Y140 AromaticContact CG-CE2 3.61Å; H57-Y140 AromaticContact CG-CG 3.55Å; H57-Y140 AromaticContact ND1-CD1 3.58Å; H57-Y140 AromaticContact ND1-CD2 3.41Å; H57-Y140 WeakPolarHBondContact ND1-CD2 3.26Å; H57-Y140 AromaticContact ND1-CE1 3.64Å; H57-Y140 AromaticContact ND1-CE2 3.4Å; H57-Y140 WeakPolarHBondContact ND1-CE2 3.47Å; H57-Y140 AromaticContact ND1-CG 3.46Å; H57-Y140 AromaticContact ND1-CZ 3.55Å; H57-Y140 AromaticContact NE2-CG 3.86Å; H57-Y140 WeakPolarHBondContact O-CE2 3.45Å; I60-Y140 WeakPolarHBondContact CG2-OH 3.49Å; L61-Y140 HydrophobicContact CD1-CD2 3.7Å; L61-Y140 HydrophobicContact CD1-CE2 3.61Å; L61-Y140 HydrophobicContact CD2-CE2 4.22Å; L61-Y140 HydrophobicContact CG-CD2 4.24Å; L61-Y140 HydrophobicContact CG-CE2 3.62Å; T136-Y140 PolarHBondContact O-N 2.84Å; Q137-Y140 WeakPolarHBondContact O-CB 3.45Å; Q137-Y140 PolarHBondContact O-N 3.01Å; S138-Y140 VanDerWaalsContact C-N 3.3Å; S138-Y140 PolarHBondContact O-N 3.3Å; Y140-D142 VanDerWaalsContact C-N 3.34Å; Y140-D142 PolarHBondContact O-N 3.43Å; Y140-R143 WeakPolarHBondContact O-CB 3.29Å; Y140-R143 PolarHBondContact O-N 3.4Å; Y140-R143 VanDerWaalsContact O-N 3.12Å; Y140-C144 VanDerWaalsContact CE1-SG 3.53Å; Y140-C144 PolarHBondContact O-N 2.91Å; Y140-E200 HydrophobicContact CE1-CB 4.24Å; Y140-E200 VanDerWaalsContact OH-CD 3.31Å; Y140-E200 PolarHBondContact OH-OE2 2.79Å; Y140-L204 HydrophobicContact CD1-CD1 3.59Å; Y140-L204 HydrophobicContact CG-CD1 4.29Å |
| 141 | R | 95.1 | Very high | 93.5 | Very high | 29 Ų | 29 | 52.8 Ų | 52.8 | 11% | 0.109 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -55.7 | -47.9 | 175.9 | -170.7 | -91.9 | -178.4 | -164.3 | -3.1 | 111.9 | Q137 S138 R143 C144 K145 E165 I201 L204 | Q137-R141 PolarHBondContact O-N 2.7Å; S138-R141 WeakPolarHBondContact O-CB 3.39Å; S138-R141 PolarHBondContact O-N 2.94Å; R141-R143 VanDerWaalsContact C-N 3.3Å; R141-R143 PolarHBondContact O-N 3.41Å; R141-C144 PolarHBondContact O-N 3.49Å; R141-K145 PolarHBondContact O-N 3.07Å; R141-E165 IonicContact CZ-OE1 3.6Å; R141-E165 IonicContact CZ-OE2 2.93Å; R141-E165 VanDerWaalsContact NH1-CD 3.34Å; R141-E165 IonicContact NH1-OE1 2.8Å; R141-E165 PolarHBondContact NH1-OE1 3.24Å; R141-E165 IonicContact NH1-OE2 3.85Å; R141-E165 PolarHBondContact NH1-OE2 3.19Å; R141-E165 VanDerWaalsContact NH2-CD 3.31Å; R141-E165 IonicContact NH2-OE1 3.51Å; R141-E165 PolarHBondContact NH2-OE1 3.36Å; R141-E165 IonicContact NH2-OE2 3.93Å; R141-E165 PolarHBondContact NH2-OE2 2.95Å; R141-I201 HydrophobicContact CG-CG1 4.48Å; R141-I201 HydrophobicContact CG-CG2 4.31Å; R141-L204 HydrophobicContact CB-CD1 4.34Å; R141-L204 HydrophobicContact CB-CD2 3.72Å; R141-L204 HydrophobicContact CG-CD2 3.99Å |
| 142 | D | 94.9 | Very high | 93.4 | Very high | 84 Ų | 84 | 49.4 Ų | 49.4 | 45% | 0.449 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61.4 | -39.7 | 177.4 | -67 | -20.3 | 0 | 0 | 0 | 111.5 | S138 Y140 C144 K145 D146 | S138-D142 PolarHBondContact O-N 3.47Å; Y140-D142 VanDerWaalsContact C-N 3.34Å; Y140-D142 PolarHBondContact O-N 3.43Å; D142-C144 PolarHBondContact O-N 2.84Å; D142-K145 WeakPolarHBondContact O-CB 3.44Å; D142-K145 PolarHBondContact O-N 2.92Å; D142-D146 PolarHBondContact O-N 3.41Å |
| 143 | R | 94.9 | Very high | 93.3 | Very high | 153 Ų | 153 | 50.9 Ų | 50.9 | 58% | 0.577 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -67.9 | -35.6 | 176.9 | -65.2 | -67.2 | -115.7 | 175.4 | -1.2 | 113 | L61 K139 Y140 R141 R147 | L61-R143 HydrophobicContact CD1-CB 3.69Å; L61-R143 HydrophobicContact CD1-CG 4.34Å; L61-R143 HydrophobicContact CD2-CB 4.31Å; K139-R143 WeakPolarHBondContact O-CG 3.43Å; K139-R143 PolarHBondContact O-N 3.17Å; Y140-R143 WeakPolarHBondContact O-CB 3.29Å; Y140-R143 PolarHBondContact O-N 3.4Å; Y140-R143 VanDerWaalsContact O-N 3.12Å; R141-R143 VanDerWaalsContact C-N 3.3Å; R141-R143 PolarHBondContact O-N 3.41Å; R143-R147 WeakPolarHBondContact O-CG 3.45Å; R143-R147 PolarHBondContact O-N 3.07Å; R143-R147 VanDerWaalsContact O-N 3.16Å |
| 144 | C | 94.2 | Very high | 93 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.7 | -42.7 | 172 | -73.4 | 0 | 0 | 0 | 0 | 111.1 | Y140 R141 D142 R147 I148 R197 I201 | Y140-C144 VanDerWaalsContact CE1-SG 3.53Å; Y140-C144 PolarHBondContact O-N 2.91Å; R141-C144 PolarHBondContact O-N 3.49Å; D142-C144 PolarHBondContact O-N 2.84Å; C144-R147 PolarHBondContact O-N 3.47Å; C144-I148 WeakPolarHBondContact O-CG1 3.44Å; C144-I148 PolarHBondContact O-N 3.06Å; C144-R197 HydrophobicContact CB-CB 4.36Å; C144-I201 HydrophobicContact CB-CD1 3.78Å; C144-I201 HydrophobicContact CB-CG1 3.63Å |
| 145 | K | 94.4 | Very high | 92.8 | Very high | 22 Ų | 22 | 53.7 Ų | 53.7 | 10% | 0.096 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -57.6 | -49.7 | 173.9 | 179.5 | -179.7 | 175.3 | 172.8 | 0 | 111.5 | R141 D142 R147 I148 Q149 N161 L164 E165 L168 | R141-K145 PolarHBondContact O-N 3.07Å; D142-K145 WeakPolarHBondContact O-CB 3.44Å; D142-K145 PolarHBondContact O-N 2.92Å; K145-R147 PolarHBondContact O-N 3.27Å; K145-I148 PolarHBondContact O-N 2.92Å; K145-I148 VanDerWaalsContact O-N 3.13Å; K145-Q149 PolarHBondContact O-N 3.26Å; K145-N161 PolarHBondContact NZ-O 3.15Å; K145-L164 HydrophobicContact CD-CD2 4.36Å; K145-L164 HydrophobicContact CG-CD2 3.54Å; K145-L164 HydrophobicContact CG-CG 4.04Å; K145-E165 WeakPolarHBondContact CD-OE2 3.41Å; K145-E165 WeakPolarHBondContact CE-OE2 3.28Å; K145-E165 IonicContact NZ-OE2 2.84Å; K145-E165 PolarHBondContact NZ-OE2 3.34Å; K145-L168 HydrophobicContact CB-CD1 4.27Å; K145-L168 HydrophobicContact CD-CD1 4.25Å; K145-L168 HydrophobicContact CG-CD1 4.05Å |
| 146 | D | 93.8 | Very high | 92.3 | Very high | 77 Ų | 77 | 54.6 Ų | 54.6 | 41% | 0.412 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -55.7 | -39.3 | 176.8 | -71.2 | -16.8 | 0 | 0 | 0 | 112.1 | D142 R150 | D142-D146 PolarHBondContact O-N 3.41Å; D146-R150 WeakPolarHBondContact O-CB 3.46Å; D146-R150 PolarHBondContact O-N 3.42Å |
| 147 | R | 92.8 | Very high | 91.9 | Very high | 81 Ų | 81 | 56.8 Ų | 56.8 | 31% | 0.306 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -68.3 | -44.5 | 177.1 | -76.5 | -164.1 | 173.2 | -107.9 | -7.9 | 112.4 | L61 R143 C144 K145 Q149 R150 Q151 E193 R197 | L61-R147 HydrophobicContact CD2-CG 4.43Å; L61-R147 PolarHBondContact O-NE 3.35Å; L61-R147 PolarHBondContact O-NH1 3.33Å; L61-R147 PolarHBondContact O-NH2 2.9Å; R143-R147 WeakPolarHBondContact O-CG 3.45Å; R143-R147 PolarHBondContact O-N 3.07Å; R143-R147 VanDerWaalsContact O-N 3.16Å; C144-R147 PolarHBondContact O-N 3.47Å; K145-R147 PolarHBondContact O-N 3.27Å; R147-Q149 VanDerWaalsContact C-N 3.29Å; R147-Q149 PolarHBondContact O-N 3.47Å; R147-R150 PolarHBondContact O-N 2.79Å; R147-Q151 WeakPolarHBondContact O-CG 3.26Å; R147-Q151 PolarHBondContact O-N 3.12Å; R147-E193 IonicContact NH1-OE1 2.88Å; R147-E193 PolarHBondContact NH1-OE1 3.26Å; R147-E193 VanDerWaalsContact NH1-OE1 3.09Å; R147-R197 HydrophobicContact CB-CG 4.25Å |
| 148 | I | 92.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.1 | -46 | 176.2 | -67.7 | 167.9 | 0 | 0 | 0 | 109.7 | C144 K145 R150 Q151 L152 L164 L168 F176 I194 R197 H198 I201 | C144-I148 WeakPolarHBondContact O-CG1 3.44Å; C144-I148 PolarHBondContact O-N 3.06Å; K145-I148 PolarHBondContact O-N 2.92Å; K145-I148 VanDerWaalsContact O-N 3.13Å; I148-R150 VanDerWaalsContact C-N 3.33Å; I148-R150 PolarHBondContact O-N 3.1Å; I148-Q151 PolarHBondContact O-N 3.48Å; I148-Q151 VanDerWaalsContact O-N 3.16Å; I148-L152 HydrophobicContact CG2-CD1 3.98Å; I148-L152 HydrophobicContact CG2-CG 4.41Å; I148-L152 WeakPolarHBondContact O-CG 3.37Å; I148-L152 PolarHBondContact O-N 3.47Å; I148-L164 HydrophobicContact CG2-CD1 3.75Å; I148-L168 HydrophobicContact CD1-CD2 4.05Å; I148-F176 HydrophobicContact CG2-CD1 3.96Å; I148-F176 HydrophobicContact CG2-CE1 3.66Å; I148-I194 HydrophobicContact CG2-CG1 4.34Å; I148-I194 HydrophobicContact CG2-CG2 4.11Å; I148-R197 HydrophobicContact CD1-CB 3.87Å; I148-R197 HydrophobicContact CG1-CB 3.65Å; I148-R197 HydrophobicContact CG1-CG 4.46Å; I148-H198 HydrophobicContact CD1-CB 4.45Å; I148-I201 HydrophobicContact CD1-CD1 3.76Å |
| 149 | Q | 93.5 | Very high | 91.2 | Very high | 34 Ų | 34 | 60.6 Ų | 60.6 | 16% | 0.159 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -55.9 | -48.8 | 176.8 | -167.8 | 176.3 | -6 | 0 | 0 | 111.7 | K145 R147 Q151 L152 E153 N161 L164 | K145-Q149 PolarHBondContact O-N 3.26Å; R147-Q149 VanDerWaalsContact C-N 3.29Å; R147-Q149 PolarHBondContact O-N 3.47Å; Q149-Q151 VanDerWaalsContact C-N 3.3Å; Q149-Q151 PolarHBondContact O-N 3.36Å; Q149-L152 WeakPolarHBondContact O-CB 3.28Å; Q149-L152 PolarHBondContact O-N 3.08Å; Q149-E153 WeakPolarHBondContact O-CG 3.35Å; Q149-E153 PolarHBondContact O-N 3.48Å; Q149-N161 PolarHBondContact OE1-OD1 3.36Å; Q149-L164 HydrophobicContact CB-CD2 3.6Å; Q149-L164 HydrophobicContact CG-CD2 4.15Å |
| 150 | R | 92.2 | Very high | 91 | Very high | 170 Ų | 170 | 58.2 Ų | 58.2 | 64% | 0.642 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -62.4 | -37.2 | 179 | -169.5 | 175.2 | -175.2 | 93 | 1.8 | 112.5 | D146 R147 I148 E153 I154 | D146-R150 WeakPolarHBondContact O-CB 3.46Å; D146-R150 PolarHBondContact O-N 3.42Å; R147-R150 PolarHBondContact O-N 2.79Å; I148-R150 VanDerWaalsContact C-N 3.33Å; I148-R150 PolarHBondContact O-N 3.1Å; R150-E153 PolarHBondContact O-N 2.9Å; R150-I154 WeakPolarHBondContact O-CG1 3.36Å; R150-I154 PolarHBondContact O-N 2.97Å; R150-I154 VanDerWaalsContact O-N 3.14Å |
| 151 | Q | 90.9 | Very high | 90.8 | Very high | 25 Ų | 25 | 62.1 Ų | 62.1 | 12% | 0.117 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -70.6 | -36 | 176.9 | -67.3 | -55.4 | -25.5 | 0 | 0 | 112.2 | R147 I148 Q149 I154 T155 A190 E193 I194 | R147-Q151 WeakPolarHBondContact O-CG 3.26Å; R147-Q151 PolarHBondContact O-N 3.12Å; I148-Q151 PolarHBondContact O-N 3.48Å; I148-Q151 VanDerWaalsContact O-N 3.16Å; Q149-Q151 VanDerWaalsContact C-N 3.3Å; Q149-Q151 PolarHBondContact O-N 3.36Å; Q151-I154 PolarHBondContact O-N 2.9Å; Q151-T155 PolarHBondContact O-N 2.86Å; Q151-A190 HydrophobicContact CB-CB 4.27Å; Q151-E193 HydrophobicContact CG-CB 4.21Å; Q151-E193 HydrophobicContact CG-CG 4.19Å; Q151-E193 PolarHBondContact NE2-OE2 3.28Å; Q151-I194 HydrophobicContact CB-CD1 3.76Å; Q151-I194 HydrophobicContact CB-CG1 3.53Å; Q151-I194 HydrophobicContact CG-CG1 4.33Å |
| 152 | L | 90.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.8 | -43.6 | 172.3 | -69.9 | 166.9 | 0 | 0 | 0 | 111.4 | I148 Q149 I154 T155 G156 R157 L164 M167 F176 I180 I194 | I148-L152 HydrophobicContact CG2-CD1 3.98Å; I148-L152 HydrophobicContact CG2-CG 4.41Å; I148-L152 WeakPolarHBondContact O-CG 3.37Å; I148-L152 PolarHBondContact O-N 3.47Å; Q149-L152 WeakPolarHBondContact O-CB 3.28Å; Q149-L152 PolarHBondContact O-N 3.08Å; L152-I154 VanDerWaalsContact C-N 3.32Å; L152-I154 PolarHBondContact O-N 3.43Å; L152-T155 CarbonylContact O-C 3.22Å; L152-T155 PolarHBondContact O-N 3.3Å; L152-T155 VanDerWaalsContact O-N 3.13Å; L152-T155 PolarHBondContact O-OG1 3.47Å; L152-G156 PolarHBondContact O-N 2.95Å; L152-R157 CarbonylContact C-O 3.49Å; L152-R157 VanDerWaalsContact C-O 3.22Å; L152-R157 PolarHBondContact O-N 3.21Å; L152-L164 HydrophobicContact CD1-CD1 3.97Å; L152-M167 HydrophobicContact CD1-CE 4.34Å; L152-F176 HydrophobicContact CD1-CD1 4.32Å; L152-F176 HydrophobicContact CD2-CD1 4.4Å; L152-I180 HydrophobicContact CD2-CD1 4.19Å; L152-I194 HydrophobicContact CD2-CD1 3.98Å; L152-I194 HydrophobicContact CG-CD1 4.12Å |
| 153 | E | 90.4 | Very high | 90.3 | Very high | 101 Ų | 101 | 68.7 Ų | 68.7 | 47% | 0.472 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.5 | -38.9 | 175.6 | -71 | 175.3 | -178.9 | 0 | 0 | 112.6 | Q149 R150 T155 G156 R157 | Q149-E153 WeakPolarHBondContact O-CG 3.35Å; Q149-E153 PolarHBondContact O-N 3.48Å; R150-E153 PolarHBondContact O-N 2.9Å; E153-T155 VanDerWaalsContact C-N 3.29Å; E153-T155 PolarHBondContact O-N 3.4Å; E153-G156 PolarHBondContact O-N 3.3Å; E153-R157 PolarHBondContact N-O 2.98Å |
| 154 | I | 88.3 | Confident | 90.2 | Very high | 84 Ų | 84 | 61.4 Ų | 61.4 | 43% | 0.431 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62 | -38.3 | 176.1 | -71.4 | 164.3 | 0 | 0 | 0 | 111.2 | R150 Q151 L152 G156 I186 | R150-I154 WeakPolarHBondContact O-CG1 3.36Å; R150-I154 PolarHBondContact O-N 2.97Å; R150-I154 VanDerWaalsContact O-N 3.14Å; Q151-I154 PolarHBondContact O-N 2.9Å; L152-I154 VanDerWaalsContact C-N 3.32Å; L152-I154 PolarHBondContact O-N 3.43Å; I154-G156 PolarHBondContact O-N 3.43Å; I154-I186 HydrophobicContact CG2-CG2 3.67Å |
| 155 | T | 86.4 | Confident | 90 | Very high | 26 Ų | 26 | 63.8 Ų | 63.8 | 16% | 0.16 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | 2.2 | 175.7 | 64.4 | 0 | 0 | 0 | 0 | 113.8 | Q151 L152 E153 I180 D187 A190 | Q151-T155 PolarHBondContact O-N 2.86Å; L152-T155 CarbonylContact O-C 3.22Å; L152-T155 PolarHBondContact O-N 3.3Å; L152-T155 VanDerWaalsContact O-N 3.13Å; L152-T155 PolarHBondContact O-OG1 3.47Å; E153-T155 VanDerWaalsContact C-N 3.29Å; E153-T155 PolarHBondContact O-N 3.4Å; T155-I180 HydrophobicContact CG2-CD1 4.01Å; T155-I180 HydrophobicContact CG2-CG2 3.99Å; T155-I180 WeakPolarHBondContact OG1-CD1 3.49Å; T155-D187 HydrophobicContact CG2-CB 4.5Å; T155-A190 HydrophobicContact CG2-CB 3.57Å |
| 156 | G | 83.9 | Confident | 89.8 | Confident | 67 Ų | 67 | 67.2 Ų | 67.2 | 69% | 0.691 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83 | 11.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | L152 E153 I154 | L152-G156 PolarHBondContact O-N 2.95Å; E153-G156 PolarHBondContact O-N 3.3Å; I154-G156 PolarHBondContact O-N 3.43Å |
| 157 | R | 84.2 | Confident | 89.6 | Confident | 54 Ų | 54 | 64.1 Ų | 64.1 | 20% | 0.204 | 33% | 0.329 | C | S | . | . | trans | -99.1 | 104.2 | 175.1 | -176.8 | 173 | 171.5 | 177.5 | 2.2 | 109.7 | L152 E153 M167 I175 D179 | L152-R157 CarbonylContact C-O 3.49Å; L152-R157 VanDerWaalsContact C-O 3.22Å; L152-R157 PolarHBondContact O-N 3.21Å; E153-R157 PolarHBondContact N-O 2.98Å; R157-M167 PolarHBondContact NH2-SD 3.06Å; R157-M167 VanDerWaalsContact NH2-SD 3.45Å; R157-I175 PolarHBondContact NH1-O 2.8Å; R157-D179 IonicContact CZ-OD2 3.09Å; R157-D179 IonicContact NH1-OD2 3.98Å; R157-D179 IonicContact NH2-OD2 2.63Å | ||
| 158 | T | 85.2 | Confident | 89.5 | Confident | 128 Ų | 128 | 60.6 Ų | 60.6 | 79% | 0.785 | 32% | 0.316 | S | S | * | . | trans | -73.1 | 127 | 169.2 | -48.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 159 | T | 87.4 | Confident | 89.2 | Confident | 6 Ų | 6 | 67.6 Ų | 67.6 | 4% | 0.037 | 35% | 0.349 | C | S | . | . | trans | -133.4 | 130.2 | 179.1 | -53.8 | 0 | 0 | 0 | 0 | 108.5 | E163 L164 M167 | T159-E163 HydrophobicContact CG2-CB 3.7Å; T159-L164 HydrophobicContact CG2-CB 3.97Å; T159-M167 HydrophobicContact CG2-SD 3.93Å | ||
| 160 | T | 91.2 | Very high | 88.7 | Confident | 72 Ų | 72 | 68.3 Ų | 68.3 | 44% | 0.442 | 36% | 0.357 | S | S | . | . | trans | -73.2 | 162.4 | 175.7 | 63.3 | 0 | 0 | 0 | 0 | 110.8 | E162 E163 L164 | T160-E162 PolarHBondContact O-N 2.71Å; T160-E163 WeakPolarHBondContact CB-OE2 3.47Å; T160-E163 PolarHBondContact N-OE2 3.24Å; T160-E163 PolarHBondContact O-N 2.94Å; T160-E163 WeakPolarHBondContact OG1-CB 3.27Å; T160-E163 WeakPolarHBondContact OG1-CG 3.42Å; T160-E163 PolarHBondContact OG1-N 3.38Å; T160-E163 PolarHBondContact OG1-OE2 3.45Å; T160-L164 WeakPolarHBondContact O-CB 3.47Å; T160-L164 PolarHBondContact O-N 3.17Å | ||
| 161 | N | 89.9 | Confident | 88.1 | Confident | 92 Ų | 92 | 62.2 Ų | 62.2 | 49% | 0.492 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.3 | -31.6 | 178.1 | -91.3 | -40.9 | 0 | 0 | 0 | 113.6 | K145 Q149 E165 | K145-N161 PolarHBondContact NZ-O 3.15Å; Q149-N161 PolarHBondContact OE1-OD1 3.36Å; N161-E165 PolarHBondContact O-N 2.81Å |
| 162 | E | 90.8 | Very high | 87.7 | Confident | 151 Ų | 151 | 67.7 Ų | 67.7 | 71% | 0.706 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -75.6 | -49.4 | 179.3 | -170.5 | 171 | -167.8 | 0 | 0 | 110.3 | T160 L164 E165 D166 | T160-E162 PolarHBondContact O-N 2.71Å; E162-L164 VanDerWaalsContact C-N 3.27Å; E162-L164 PolarHBondContact O-N 3.21Å; E162-E165 WeakPolarHBondContact O-CA 3.46Å; E162-E165 VanDerWaalsContact O-CB 3.31Å; E162-E165 WeakPolarHBondContact O-CB 3.35Å; E162-E165 PolarHBondContact O-N 2.78Å; E162-D166 PolarHBondContact O-N 3.2Å |
| 163 | E | 89.9 | Confident | 87.3 | Confident | 100 Ų | 100 | 70.2 Ų | 70.2 | 47% | 0.467 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -57.5 | -40.8 | 174.3 | -70.7 | 164.5 | 155.7 | 0 | 0 | 112 | T159 T160 E165 D166 M167 | T159-E163 HydrophobicContact CG2-CB 3.7Å; T160-E163 WeakPolarHBondContact CB-OE2 3.47Å; T160-E163 PolarHBondContact N-OE2 3.24Å; T160-E163 PolarHBondContact O-N 2.94Å; T160-E163 WeakPolarHBondContact OG1-CB 3.27Å; T160-E163 WeakPolarHBondContact OG1-CG 3.42Å; T160-E163 PolarHBondContact OG1-N 3.38Å; T160-E163 PolarHBondContact OG1-OE2 3.45Å; E163-E165 VanDerWaalsContact C-N 3.29Å; E163-E165 PolarHBondContact O-N 3.18Å; E163-D166 PolarHBondContact O-N 2.88Å; E163-M167 WeakPolarHBondContact O-CG 3.44Å; E163-M167 PolarHBondContact O-N 2.94Å |
| 164 | L | 91.1 | Very high | 86.9 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -65.8 | -34.1 | 177.2 | -179.7 | 57.5 | 0 | 0 | 0 | 112 | K145 I148 Q149 L152 T159 T160 E162 M167 L168 F176 | K145-L164 HydrophobicContact CD-CD2 4.36Å; K145-L164 HydrophobicContact CG-CD2 3.54Å; K145-L164 HydrophobicContact CG-CG 4.04Å; I148-L164 HydrophobicContact CG2-CD1 3.75Å; Q149-L164 HydrophobicContact CB-CD2 3.6Å; Q149-L164 HydrophobicContact CG-CD2 4.15Å; L152-L164 HydrophobicContact CD1-CD1 3.97Å; T159-L164 HydrophobicContact CG2-CB 3.97Å; T160-L164 WeakPolarHBondContact O-CB 3.47Å; T160-L164 PolarHBondContact O-N 3.17Å; E162-L164 VanDerWaalsContact C-N 3.27Å; E162-L164 PolarHBondContact O-N 3.21Å; L164-M167 PolarHBondContact O-N 2.88Å; L164-L168 HydrophobicContact CG-CD1 4.48Å; L164-L168 VanDerWaalsContact O-CG 3.3Å; L164-L168 WeakPolarHBondContact O-CG 3.46Å; L164-L168 PolarHBondContact O-N 3.23Å; L164-L168 VanDerWaalsContact O-N 3.09Å; L164-F176 HydrophobicContact CD1-CE1 3.85Å |
| 165 | E | 91.7 | Very high | 86.5 | Confident | 49 Ų | 49 | 66.2 Ų | 66.2 | 23% | 0.229 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -65.9 | -47.8 | 175.2 | -161.3 | 67.5 | -159.5 | 0 | 0 | 110.6 | R141 K145 N161 E162 E163 M167 L168 E169 | R141-E165 IonicContact CZ-OE1 3.6Å; R141-E165 IonicContact CZ-OE2 2.93Å; R141-E165 VanDerWaalsContact NH1-CD 3.34Å; R141-E165 IonicContact NH1-OE1 2.8Å; R141-E165 PolarHBondContact NH1-OE1 3.24Å; R141-E165 IonicContact NH1-OE2 3.85Å; R141-E165 PolarHBondContact NH1-OE2 3.19Å; R141-E165 VanDerWaalsContact NH2-CD 3.31Å; R141-E165 IonicContact NH2-OE1 3.51Å; R141-E165 PolarHBondContact NH2-OE1 3.36Å; R141-E165 IonicContact NH2-OE2 3.93Å; R141-E165 PolarHBondContact NH2-OE2 2.95Å; K145-E165 WeakPolarHBondContact CD-OE2 3.41Å; K145-E165 WeakPolarHBondContact CE-OE2 3.28Å; K145-E165 IonicContact NZ-OE2 2.84Å; K145-E165 PolarHBondContact NZ-OE2 3.34Å; N161-E165 PolarHBondContact O-N 2.81Å; E162-E165 WeakPolarHBondContact O-CA 3.46Å; E162-E165 VanDerWaalsContact O-CB 3.31Å; E162-E165 WeakPolarHBondContact O-CB 3.35Å; E162-E165 PolarHBondContact O-N 2.78Å; E163-E165 VanDerWaalsContact C-N 3.29Å; E163-E165 PolarHBondContact O-N 3.18Å; E165-M167 PolarHBondContact O-N 3.5Å; E165-L168 WeakPolarHBondContact O-CA 3.34Å; E165-L168 WeakPolarHBondContact O-CB 3.47Å; E165-L168 PolarHBondContact O-N 3.09Å; E165-E169 WeakPolarHBondContact O-CG 3.39Å; E165-E169 PolarHBondContact O-N 3.49Å |
| 166 | D | 90.1 | Very high | 86.2 | Confident | 95 Ų | 95 | 65 Ų | 65 | 51% | 0.508 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -57.6 | -39.3 | 176.2 | -67.1 | -17.4 | 0 | 0 | 0 | 111.8 | E162 E163 E169 S170 | E162-D166 PolarHBondContact O-N 3.2Å; E163-D166 PolarHBondContact O-N 2.88Å; D166-E169 PolarHBondContact O-N 3.41Å; D166-S170 PolarHBondContact O-N 3.19Å; D166-S170 VanDerWaalsContact O-N 3.12Å |
| 167 | M | 89 | Confident | 85.9 | Confident | 12 Ų | 12 | 64.3 Ų | 64.3 | 6% | 0.059 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.1 | -41.1 | 175.2 | -69.6 | 172.9 | 62.2 | 0 | 0 | 111.8 | L152 R157 T159 E163 L164 E165 S170 I175 F176 | L152-M167 HydrophobicContact CD1-CE 4.34Å; R157-M167 PolarHBondContact NH2-SD 3.06Å; R157-M167 VanDerWaalsContact NH2-SD 3.45Å; T159-M167 HydrophobicContact CG2-SD 3.93Å; E163-M167 WeakPolarHBondContact O-CG 3.44Å; E163-M167 PolarHBondContact O-N 2.94Å; L164-M167 PolarHBondContact O-N 2.88Å; E165-M167 PolarHBondContact O-N 3.5Å; M167-S170 PolarHBondContact O-OG 3.14Å; M167-I175 HydrophobicContact CB-CG2 4.13Å; M167-I175 HydrophobicContact CE-CG2 3.89Å; M167-I175 HydrophobicContact CG-CG2 3.59Å; M167-I175 HydrophobicContact SD-CG2 4.33Å; M167-F176 HydrophobicContact CB-CE1 4.07Å; M167-F176 HydrophobicContact CB-CZ 3.86Å; M167-F176 HydrophobicContact CE-CD1 3.3Å; M167-F176 HydrophobicContact CE-CE1 3.44Å; M167-F176 VanDerWaalsContact CE-CE1 3.44Å; M167-F176 HydrophobicContact CE-CG 3.95Å; M167-F176 HydrophobicContact CE-CZ 4.19Å |
| 168 | L | 89.7 | Confident | 85.5 | Confident | 7 Ų | 7 | 67.4 Ų | 67.4 | 4% | 0.037 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -69.2 | -43.9 | 176.8 | -69.2 | 170.1 | 0 | 0 | 0 | 111.6 | K145 I148 L164 E165 S170 G171 F176 I201 | K145-L168 HydrophobicContact CB-CD1 4.27Å; K145-L168 HydrophobicContact CD-CD1 4.25Å; K145-L168 HydrophobicContact CG-CD1 4.05Å; I148-L168 HydrophobicContact CD1-CD2 4.05Å; L164-L168 HydrophobicContact CG-CD1 4.48Å; L164-L168 VanDerWaalsContact O-CG 3.3Å; L164-L168 WeakPolarHBondContact O-CG 3.46Å; L164-L168 PolarHBondContact O-N 3.23Å; L164-L168 VanDerWaalsContact O-N 3.09Å; E165-L168 WeakPolarHBondContact O-CA 3.34Å; E165-L168 WeakPolarHBondContact O-CB 3.47Å; E165-L168 PolarHBondContact O-N 3.09Å; L168-S170 PolarHBondContact O-N 3.23Å; L168-G171 PolarHBondContact O-N 3.39Å; L168-F176 HydrophobicContact CD2-CZ 3.93Å; L168-F176 HydrophobicContact CG-CZ 4.4Å; L168-I201 HydrophobicContact CD1-CD1 4.16Å; L168-I201 HydrophobicContact CD2-CD1 3.72Å |
| 169 | E | 87 | Confident | 84.8 | Confident | 147 Ų | 147 | 67 Ų | 67 | 69% | 0.687 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -61 | -31.7 | 178.9 | -73.2 | -172.5 | 179.7 | 0 | 0 | 112.8 | E165 D166 G171 | E165-E169 WeakPolarHBondContact O-CG 3.39Å; E165-E169 PolarHBondContact O-N 3.49Å; D166-E169 PolarHBondContact O-N 3.41Å; E169-G171 PolarHBondContact O-N 3.47Å |
| 170 | S | 84.3 | Confident | 84.2 | Confident | 48 Ų | 48 | 67.3 Ų | 67.3 | 34% | 0.336 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -24.9 | 176.3 | 82 | 0 | 0 | 0 | 0 | 113.6 | D166 M167 L168 K172 I175 | D166-S170 PolarHBondContact O-N 3.19Å; D166-S170 VanDerWaalsContact O-N 3.12Å; M167-S170 PolarHBondContact O-OG 3.14Å; L168-S170 PolarHBondContact O-N 3.23Å; S170-K172 PolarHBondContact O-N 2.95Å; S170-K172 VanDerWaalsContact O-N 3.12Å; S170-K172 PolarHBondContact OG-N 3.01Å; S170-I175 VanDerWaalsContact OG-CD1 3.23Å; S170-I175 WeakPolarHBondContact OG-CD1 3.49Å |
| 171 | G | 77.9 | Confident | 83.4 | Confident | 42 Ų | 42 | 71.6 Ų | 71.6 | 43% | 0.433 | 38% | 0.375 | S | S | . | . | trans | 63.7 | 5.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | L168 E169 | L168-G171 PolarHBondContact O-N 3.39Å; E169-G171 PolarHBondContact O-N 3.47Å | ||
| 172 | K | 82.4 | Confident | 82.6 | Confident | 140 Ų | 140 | 72.7 Ų | 72.7 | 61% | 0.609 | 38% | 0.379 | S | S | * | . | trans | -99.3 | 114.2 | -175.5 | -65.3 | 176.2 | -170.6 | 171.8 | 0 | 111.1 | S170 A174 I175 | S170-K172 PolarHBondContact O-N 2.95Å; S170-K172 VanDerWaalsContact O-N 3.12Å; S170-K172 PolarHBondContact OG-N 3.01Å; K172-A174 PolarHBondContact O-N 3.41Å; K172-I175 HydrophobicContact CB-CD1 3.97Å; K172-I175 HydrophobicContact CB-CG1 4.24Å; K172-I175 HydrophobicContact CD-CD1 4.36Å; K172-I175 PolarHBondContact O-N 3.38Å | ||
| 173 | L | 81.7 | Confident | 82 | Confident | 54 Ų | 54 | 72.2 Ų | 72.2 | 28% | 0.283 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -33.2 | 175.7 | -176.2 | 64.7 | 0 | 0 | 0 | 113.1 | I175 F176 E195 H198 | L173-I175 PolarHBondContact O-N 2.92Å; L173-I175 VanDerWaalsContact O-N 3.11Å; L173-F176 HydrophobicContact CD1-CD2 4.34Å; L173-F176 WeakPolarHBondContact O-CB 3.5Å; L173-F176 PolarHBondContact O-N 2.84Å; L173-E195 HydrophobicContact CD1-CB 4.02Å; L173-E195 HydrophobicContact CD1-CG 4.22Å; L173-E195 HydrophobicContact CD2-CB 4.22Å; L173-E195 HydrophobicContact CD2-CG 3.68Å; L173-H198 HydrophobicContact CD1-CB 4.46Å |
| 174 | A | 82.1 | Confident | 81.7 | Confident | 47 Ų | 47 | 69.5 Ų | 69.5 | 39% | 0.388 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -55.9 | -31.3 | -178 | 0 | 0 | 0 | 0 | 0 | 113.5 | K172 F176 T177 D178 | K172-A174 PolarHBondContact O-N 3.41Å; A174-F176 PolarHBondContact O-N 2.73Å; A174-T177 WeakPolarHBondContact CA-OG1 3.43Å; A174-T177 PolarHBondContact O-N 2.91Å; A174-T177 PolarHBondContact O-OG1 2.93Å; A174-D178 PolarHBondContact O-N 3.38Å |
| 175 | I | 81.4 | Confident | 81.4 | Confident | 53 Ų | 53 | 77.4 Ų | 77.4 | 27% | 0.272 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -65.6 | -24 | -178.4 | -67.6 | 170.9 | 0 | 0 | 0 | 111.8 | R157 M167 S170 K172 L173 | R157-I175 PolarHBondContact NH1-O 2.8Å; M167-I175 HydrophobicContact CB-CG2 4.13Å; M167-I175 HydrophobicContact CE-CG2 3.89Å; M167-I175 HydrophobicContact CG-CG2 3.59Å; M167-I175 HydrophobicContact SD-CG2 4.33Å; S170-I175 VanDerWaalsContact OG-CD1 3.23Å; S170-I175 WeakPolarHBondContact OG-CD1 3.49Å; K172-I175 HydrophobicContact CB-CD1 3.97Å; K172-I175 HydrophobicContact CB-CG1 4.24Å; K172-I175 HydrophobicContact CD-CD1 4.36Å; K172-I175 PolarHBondContact O-N 3.38Å; L173-I175 PolarHBondContact O-N 2.92Å; L173-I175 VanDerWaalsContact O-N 3.11Å |
| 176 | F | 80.1 | Confident | 81.1 | Confident | 0 Ų | 0 | 80 Ų | 80 | 0% | 0 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -80.4 | -28.3 | 172.8 | -60.2 | -82.7 | 0 | 0 | 0 | 112.4 | I148 L152 L164 M167 L168 L173 A174 I180 I194 H198 | I148-F176 HydrophobicContact CG2-CD1 3.96Å; I148-F176 HydrophobicContact CG2-CE1 3.66Å; L152-F176 HydrophobicContact CD1-CD1 4.32Å; L152-F176 HydrophobicContact CD2-CD1 4.4Å; L164-F176 HydrophobicContact CD1-CE1 3.85Å; M167-F176 HydrophobicContact CB-CE1 4.07Å; M167-F176 HydrophobicContact CB-CZ 3.86Å; M167-F176 HydrophobicContact CE-CD1 3.3Å; M167-F176 HydrophobicContact CE-CE1 3.44Å; M167-F176 VanDerWaalsContact CE-CE1 3.44Å; M167-F176 HydrophobicContact CE-CG 3.95Å; M167-F176 HydrophobicContact CE-CZ 4.19Å; L168-F176 HydrophobicContact CD2-CZ 3.93Å; L168-F176 HydrophobicContact CG-CZ 4.4Å; L173-F176 HydrophobicContact CD1-CD2 4.34Å; L173-F176 WeakPolarHBondContact O-CB 3.5Å; L173-F176 PolarHBondContact O-N 2.84Å; A174-F176 PolarHBondContact O-N 2.73Å; F176-I180 WeakPolarHBondContact O-CD1 3.37Å; F176-I194 HydrophobicContact CB-CG2 3.79Å; F176-I194 HydrophobicContact CD1-CG2 3.82Å; F176-I194 HydrophobicContact CD2-CG2 4.46Å; F176-I194 HydrophobicContact CG-CG2 3.76Å; F176-H198 AromaticContact CE2-CD2 3.67Å |
| 177 | T | 77.4 | Confident | 80.8 | Confident | 54 Ų | 54 | 76.6 Ų | 76.6 | 33% | 0.331 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -95.5 | -25.8 | -172.4 | 54.1 | 0 | 0 | 0 | 0 | 114.8 | A174 D179 I180 L191 | A174-T177 WeakPolarHBondContact CA-OG1 3.43Å; A174-T177 PolarHBondContact O-N 2.91Å; A174-T177 PolarHBondContact O-OG1 2.93Å; T177-D179 VanDerWaalsContact C-N 3.3Å; T177-D179 PolarHBondContact O-N 3.46Å; T177-I180 PolarHBondContact O-N 3.04Å; T177-L191 HydrophobicContact CG2-CD2 3.65Å |
| 178 | D | 75.7 | Confident | 80.7 | Confident | 119 Ų | 119 | 81.8 Ų | 81.8 | 64% | 0.636 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -31.9 | -167.2 | -75.4 | -13.8 | 0 | 0 | 0 | 114.3 | A174 | A174-D178 PolarHBondContact O-N 3.38Š|
| 179 | D | 70.6 | Confident | 80.6 | Confident | 118 Ų | 118 | 86.3 Ų | 86.3 | 63% | 0.631 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.5 | -4.5 | -177.5 | -67.7 | -39.5 | 0 | 0 | 0 | 114 | R157 T177 | R157-D179 IonicContact CZ-OD2 3.09Å; R157-D179 IonicContact NH1-OD2 3.98Å; R157-D179 IonicContact NH2-OD2 2.63Å; T177-D179 VanDerWaalsContact C-N 3.3Å; T177-D179 PolarHBondContact O-N 3.46Å |
| 180 | I | 75.1 | Confident | 80.7 | Confident | 14 Ų | 14 | 79.4 Ų | 79.4 | 7% | 0.072 | 42% | 0.417 | C | S | . | . | trans | -94.3 | 114.2 | -174.4 | -62.7 | 175.1 | 0 | 0 | 0 | 109.6 | L152 T155 F176 T177 M182 D187 L191 | L152-I180 HydrophobicContact CD2-CD1 4.19Å; T155-I180 HydrophobicContact CG2-CD1 4.01Å; T155-I180 HydrophobicContact CG2-CG2 3.99Å; T155-I180 WeakPolarHBondContact OG1-CD1 3.49Å; F176-I180 WeakPolarHBondContact O-CD1 3.37Å; T177-I180 PolarHBondContact O-N 3.04Å; I180-M182 PolarHBondContact O-N 2.98Å; I180-D187 HydrophobicContact CG2-CB 4.17Å; I180-L191 HydrophobicContact CB-CD1 4.45Å; I180-L191 HydrophobicContact CD1-CD2 3.58Å; I180-L191 HydrophobicContact CD1-CG 4.24Å; I180-L191 HydrophobicContact CG2-CD1 4.03Å; I180-L191 HydrophobicContact CG2-CG 4.27Å | ||
| 181 | K | 73.6 | Confident | 80.8 | Confident | 162 Ų | 162 | 77.7 Ų | 77.7 | 70% | 0.704 | 40% | 0.404 | S | S | * | . | trans | -69.4 | 114.1 | 171.9 | -63.6 | -175.8 | -178.7 | -179.8 | 0 | 109 | D183 D187 | K181-D183 PolarHBondContact O-N 3.22Å; K181-D187 VanDerWaalsContact O-OD2 3.09Å | ||
| 182 | M | 73.3 | Confident | 81.3 | Confident | 114 Ų | 114 | 78.9 Ų | 78.9 | 56% | 0.562 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | 45 | 179.8 | -67.6 | -175.9 | 116.3 | 0 | 0 | 113.2 | I180 L191 | I180-M182 PolarHBondContact O-N 2.98Å; M182-L191 HydrophobicContact CE-CD1 3.61Å; M182-L191 HydrophobicContact CG-CD1 3.88Å; M182-L191 HydrophobicContact SD-CD1 4.43Å |
| 183 | D | 77.6 | Confident | 81.7 | Confident | 141 Ų | 141 | 72.5 Ų | 72.5 | 75% | 0.754 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -30 | -172 | -68 | -22.4 | 0 | 0 | 0 | 111.7 | K181 | K181-D183 PolarHBondContact O-N 3.22Š|
| 184 | S | 83.7 | Confident | 82.1 | Confident | 43 Ų | 43 | 70 Ų | 70 | 30% | 0.301 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -101.8 | 152.3 | 178.7 | -174.6 | 0 | 0 | 0 | 0 | 113.3 | I186 D187 K188 | S184-I186 PolarHBondContact O-N 3.01Å; S184-I186 WeakPolarHBondContact OG-CB 3.1Å; S184-I186 PolarHBondContact OG-N 3.36Å; S184-I186 VanDerWaalsContact OG-N 3.1Å; S184-D187 WeakPolarHBondContact CB-OD2 3.41Å; S184-D187 PolarHBondContact N-OD2 3.18Å; S184-D187 PolarHBondContact O-N 2.96Å; S184-K188 PolarHBondContact O-N 2.87Å |
| 185 | Q | 84.6 | Confident | 82.5 | Confident | 167 Ų | 167 | 72 Ų | 72 | 78% | 0.78 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -61.8 | -28.7 | 165.9 | -173.3 | 172.4 | -3.2 | 0 | 0 | 111.6 | Q189 | Q185-Q189 PolarHBondContact O-N 2.96Å; Q185-Q189 VanDerWaalsContact O-N 3.17Å |
| 186 | I | 85.3 | Confident | 82.9 | Confident | 102 Ų | 102 | 70.4 Ų | 70.4 | 52% | 0.523 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.2 | -43.9 | 176.2 | -61.2 | 172.4 | 0 | 0 | 0 | 110.2 | I154 S184 K188 Q189 A190 | I154-I186 HydrophobicContact CG2-CG2 3.67Å; S184-I186 PolarHBondContact O-N 3.01Å; S184-I186 WeakPolarHBondContact OG-CB 3.1Å; S184-I186 PolarHBondContact OG-N 3.36Å; S184-I186 VanDerWaalsContact OG-N 3.1Å; I186-K188 VanDerWaalsContact C-N 3.32Å; I186-K188 PolarHBondContact O-N 3.29Å; I186-Q189 PolarHBondContact O-N 3.45Å; I186-A190 PolarHBondContact O-N 3.37Å |
| 187 | D | 85.6 | Confident | 83.5 | Confident | 25 Ų | 25 | 70.4 Ų | 70.4 | 13% | 0.134 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -64 | -39.8 | -179.7 | -53.8 | -33 | 0 | 0 | 0 | 111.3 | T155 I180 K181 S184 Q189 A190 L191 | T155-D187 HydrophobicContact CG2-CB 4.5Å; I180-D187 HydrophobicContact CG2-CB 4.17Å; K181-D187 VanDerWaalsContact O-OD2 3.09Å; S184-D187 WeakPolarHBondContact CB-OD2 3.41Å; S184-D187 PolarHBondContact N-OD2 3.18Å; S184-D187 PolarHBondContact O-N 2.96Å; D187-Q189 VanDerWaalsContact C-N 3.34Å; D187-Q189 PolarHBondContact O-N 2.96Å; D187-A190 PolarHBondContact O-N 3.46Å; D187-L191 WeakPolarHBondContact O-CB 3.27Å; D187-L191 WeakPolarHBondContact O-CG 3.44Å; D187-L191 PolarHBondContact O-N 2.95Å |
| 188 | K | 85.8 | Confident | 84.2 | Confident | 120 Ų | 120 | 68.2 Ų | 68.2 | 52% | 0.522 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -63.4 | -39.5 | 175.6 | -68.2 | 178.6 | -178.7 | 177.5 | 0 | 112.3 | S184 I186 N192 | S184-K188 PolarHBondContact O-N 2.87Å; I186-K188 VanDerWaalsContact C-N 3.32Å; I186-K188 PolarHBondContact O-N 3.29Å; K188-N192 PolarHBondContact O-N 3.34Å; K188-N192 VanDerWaalsContact O-N 3.13Å |
| 189 | Q | 87.6 | Confident | 84.9 | Confident | 103 Ų | 103 | 65.4 Ų | 65.4 | 48% | 0.481 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -69.8 | -42.6 | 177.4 | -175.4 | 177.2 | -15.4 | 0 | 0 | 111.5 | Q185 I186 D187 L191 N192 E193 | Q185-Q189 PolarHBondContact O-N 2.96Å; Q185-Q189 VanDerWaalsContact O-N 3.17Å; I186-Q189 PolarHBondContact O-N 3.45Å; D187-Q189 VanDerWaalsContact C-N 3.34Å; D187-Q189 PolarHBondContact O-N 2.96Å; Q189-L191 VanDerWaalsContact C-N 3.34Å; Q189-L191 PolarHBondContact O-N 2.72Å; Q189-N192 PolarHBondContact O-N 2.9Å; Q189-E193 PolarHBondContact O-N 2.9Å |
| 190 | A | 88.3 | Confident | 85.9 | Confident | 1 Ų | 1 | 60.7 Ų | 60.7 | 1% | 0.008 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59.8 | -45.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q151 T155 I186 D187 N192 E193 I194 | Q151-A190 HydrophobicContact CB-CB 4.27Å; T155-A190 HydrophobicContact CG2-CB 3.57Å; I186-A190 PolarHBondContact O-N 3.37Å; D187-A190 PolarHBondContact O-N 3.46Å; A190-N192 PolarHBondContact O-N 3.38Å; A190-E193 PolarHBondContact O-N 2.71Å; A190-I194 VanDerWaalsContact O-CG1 3.27Å; A190-I194 WeakPolarHBondContact O-CG1 3.33Å; A190-I194 PolarHBondContact O-N 3.35Å |
| 191 | L | 87.7 | Confident | 86.8 | Confident | 13 Ų | 13 | 60.1 Ų | 60.1 | 7% | 0.068 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.9 | -41.6 | 175.8 | -79.6 | 176.1 | 0 | 0 | 0 | 113.2 | T177 I180 M182 D187 Q189 I194 E195 | T177-L191 HydrophobicContact CG2-CD2 3.65Å; I180-L191 HydrophobicContact CB-CD1 4.45Å; I180-L191 HydrophobicContact CD1-CD2 3.58Å; I180-L191 HydrophobicContact CD1-CG 4.24Å; I180-L191 HydrophobicContact CG2-CD1 4.03Å; I180-L191 HydrophobicContact CG2-CG 4.27Å; M182-L191 HydrophobicContact CE-CD1 3.61Å; M182-L191 HydrophobicContact CG-CD1 3.88Å; M182-L191 HydrophobicContact SD-CD1 4.43Å; D187-L191 WeakPolarHBondContact O-CB 3.27Å; D187-L191 WeakPolarHBondContact O-CG 3.44Å; D187-L191 PolarHBondContact O-N 2.95Å; Q189-L191 VanDerWaalsContact C-N 3.34Å; Q189-L191 PolarHBondContact O-N 2.72Å; L191-I194 PolarHBondContact O-N 3.33Å; L191-E195 WeakPolarHBondContact O-CB 3.16Å; L191-E195 PolarHBondContact O-N 3.49Å |
| 192 | N | 88.6 | Confident | 87.6 | Confident | 66 Ų | 66 | 55.3 Ų | 55.3 | 35% | 0.353 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -65.9 | -37.9 | 177.9 | -176.1 | -115.5 | 0 | 0 | 0 | 112.5 | N65 K188 Q189 A190 T196 | N65-N192 PolarHBondContact OD1-OD1 2.85Å; N65-N192 VanDerWaalsContact OD1-OD1 3.11Å; K188-N192 PolarHBondContact O-N 3.34Å; K188-N192 VanDerWaalsContact O-N 3.13Å; Q189-N192 PolarHBondContact O-N 2.9Å; A190-N192 PolarHBondContact O-N 3.38Å; N192-T196 WeakPolarHBondContact O-CB 3.41Å; N192-T196 PolarHBondContact O-N 2.8Å; N192-T196 PolarHBondContact O-OG1 3.32Å |
| 193 | E | 89.9 | Confident | 88.4 | Confident | 7 Ų | 7 | 54.3 Ų | 54.3 | 3% | 0.033 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.6 | -42.5 | 173.3 | -173.5 | 169.7 | 178.5 | 0 | 0 | 110.8 | R147 Q151 Q189 A190 E195 T196 R197 | R147-E193 IonicContact NH1-OE1 2.88Å; R147-E193 PolarHBondContact NH1-OE1 3.26Å; R147-E193 VanDerWaalsContact NH1-OE1 3.09Å; Q151-E193 HydrophobicContact CG-CB 4.21Å; Q151-E193 HydrophobicContact CG-CG 4.19Å; Q151-E193 PolarHBondContact NE2-OE2 3.28Å; Q189-E193 PolarHBondContact O-N 2.9Å; A190-E193 PolarHBondContact O-N 2.71Å; E193-E195 PolarHBondContact O-N 3.12Å; E193-T196 PolarHBondContact O-N 3.08Å; E193-R197 HydrophobicContact CG-CG 4.29Å; E193-R197 VanDerWaalsContact O-CG 3.31Å; E193-R197 WeakPolarHBondContact O-CG 3.44Å; E193-R197 PolarHBondContact O-N 2.96Å |
| 194 | I | 91.1 | Very high | 89.1 | Confident | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -57.3 | -49.2 | 175.7 | -69.9 | 165 | 0 | 0 | 0 | 111 | I148 Q151 L152 F176 A190 L191 T196 R197 H198 | I148-I194 HydrophobicContact CG2-CG1 4.34Å; I148-I194 HydrophobicContact CG2-CG2 4.11Å; Q151-I194 HydrophobicContact CB-CD1 3.76Å; Q151-I194 HydrophobicContact CB-CG1 3.53Å; Q151-I194 HydrophobicContact CG-CG1 4.33Å; L152-I194 HydrophobicContact CD2-CD1 3.98Å; L152-I194 HydrophobicContact CG-CD1 4.12Å; F176-I194 HydrophobicContact CB-CG2 3.79Å; F176-I194 HydrophobicContact CD1-CG2 3.82Å; F176-I194 HydrophobicContact CD2-CG2 4.46Å; F176-I194 HydrophobicContact CG-CG2 3.76Å; A190-I194 VanDerWaalsContact O-CG1 3.27Å; A190-I194 WeakPolarHBondContact O-CG1 3.33Å; A190-I194 PolarHBondContact O-N 3.35Å; L191-I194 PolarHBondContact O-N 3.33Å; I194-T196 VanDerWaalsContact C-N 3.31Å; I194-T196 PolarHBondContact O-N 3.09Å; I194-R197 PolarHBondContact O-N 3.08Å; I194-H198 VanDerWaalsContact O-CB 3.26Å; I194-H198 WeakPolarHBondContact O-CB 3.27Å; I194-H198 PolarHBondContact O-N 3.11Å |
| 195 | E | 89.7 | Confident | 89.3 | Confident | 90 Ų | 90 | 48.7 Ų | 48.7 | 42% | 0.421 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -59.1 | -42.9 | 178.2 | 177.5 | 175.8 | -161.2 | 0 | 0 | 112 | L173 L191 E193 T199 | L173-E195 HydrophobicContact CD1-CB 4.02Å; L173-E195 HydrophobicContact CD1-CG 4.22Å; L173-E195 HydrophobicContact CD2-CB 4.22Å; L173-E195 HydrophobicContact CD2-CG 3.68Å; L191-E195 WeakPolarHBondContact O-CB 3.16Å; L191-E195 PolarHBondContact O-N 3.49Å; E193-E195 PolarHBondContact O-N 3.12Å; E195-T199 WeakPolarHBondContact O-CB 3.27Å; E195-T199 PolarHBondContact O-N 3.48Å; E195-T199 PolarHBondContact O-OG1 3.43Å |
| 196 | T | 90.8 | Very high | 89.5 | Confident | 19 Ų | 19 | 44.1 Ų | 44.1 | 12% | 0.117 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.2 | -49.2 | 177.9 | -61.8 | 0 | 0 | 0 | 0 | 110.9 | P66 N192 E193 I194 T199 E200 | P66-T196 HydrophobicContact CG-CG2 4.25Å; N192-T196 WeakPolarHBondContact O-CB 3.41Å; N192-T196 PolarHBondContact O-N 2.8Å; N192-T196 PolarHBondContact O-OG1 3.32Å; E193-T196 PolarHBondContact O-N 3.08Å; I194-T196 VanDerWaalsContact C-N 3.31Å; I194-T196 PolarHBondContact O-N 3.09Å; T196-T199 PolarHBondContact O-N 2.76Å; T196-E200 WeakPolarHBondContact O-CG 3.12Å; T196-E200 PolarHBondContact O-N 2.89Å |
| 197 | R | 92.7 | Very high | 89.6 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67.2 | -39 | 180 | -62.7 | -55.9 | 169.1 | -160.6 | -3.5 | 112.8 | I60 A63 C144 R147 I148 E193 I194 T199 E200 I201 | I60-R197 VanDerWaalsContact CG2-NH1 3.32Å; I60-R197 PolarHBondContact O-NH1 3.04Å; I60-R197 PolarHBondContact O-NH2 2.78Å; A63-R197 PolarHBondContact O-NH2 2.64Å; C144-R197 HydrophobicContact CB-CB 4.36Å; R147-R197 HydrophobicContact CB-CG 4.25Å; I148-R197 HydrophobicContact CD1-CB 3.87Å; I148-R197 HydrophobicContact CG1-CB 3.65Å; I148-R197 HydrophobicContact CG1-CG 4.46Å; E193-R197 HydrophobicContact CG-CG 4.29Å; E193-R197 VanDerWaalsContact O-CG 3.31Å; E193-R197 WeakPolarHBondContact O-CG 3.44Å; E193-R197 PolarHBondContact O-N 2.96Å; I194-R197 PolarHBondContact O-N 3.08Å; R197-T199 VanDerWaalsContact C-N 3.33Å; R197-T199 PolarHBondContact O-N 3.29Å; R197-E200 WeakPolarHBondContact CD-OE2 3.42Å; R197-E200 IonicContact CZ-OE2 3.89Å; R197-E200 IonicContact NH1-OE1 2.83Å; R197-E200 PolarHBondContact NH1-OE1 3.48Å; R197-E200 IonicContact NH1-OE2 3.82Å; R197-E200 PolarHBondContact NH1-OE2 2.83Å; R197-E200 WeakPolarHBondContact O-CB 3.24Å; R197-E200 PolarHBondContact O-N 3.08Å; R197-I201 WeakPolarHBondContact O-CG1 3.44Å; R197-I201 PolarHBondContact O-N 3.39Å |
| 198 | H | 92.1 | Very high | 89.6 | Confident | 8 Ų | 8 | 40.7 Ų | 40.7 | 4% | 0.037 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.1 | -44.5 | 174.9 | 177.4 | -104 | 0 | 0 | 0 | 111.1 | I148 L173 F176 I194 E200 I201 I202 | I148-H198 HydrophobicContact CD1-CB 4.45Å; L173-H198 HydrophobicContact CD1-CB 4.46Å; F176-H198 AromaticContact CE2-CD2 3.67Å; I194-H198 VanDerWaalsContact O-CB 3.26Å; I194-H198 WeakPolarHBondContact O-CB 3.27Å; I194-H198 PolarHBondContact O-N 3.11Å; H198-E200 VanDerWaalsContact C-N 3.3Å; H198-E200 PolarHBondContact O-N 3.13Å; H198-I201 PolarHBondContact O-N 3.03Å; H198-I202 WeakPolarHBondContact CE1-CD1 3.4Å; H198-I202 WeakPolarHBondContact O-CG1 3.45Å; H198-I202 PolarHBondContact O-N 3.48Å |
| 199 | T | 90.4 | Very high | 89.7 | Confident | 59 Ų | 59 | 41.9 Ų | 41.9 | 36% | 0.362 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -60.9 | -40.4 | 175.4 | -58.2 | 0 | 0 | 0 | 0 | 111.9 | E195 T196 R197 I202 K203 | E195-T199 WeakPolarHBondContact O-CB 3.27Å; E195-T199 PolarHBondContact O-N 3.48Å; E195-T199 PolarHBondContact O-OG1 3.43Å; T196-T199 PolarHBondContact O-N 2.76Å; R197-T199 VanDerWaalsContact C-N 3.33Å; R197-T199 PolarHBondContact O-N 3.29Å; T199-I202 PolarHBondContact O-N 3.34Å; T199-K203 WeakPolarHBondContact O-CG 3.33Å; T199-K203 PolarHBondContact O-N 3.39Å |
| 200 | E | 90.6 | Very high | 89.3 | Confident | 19 Ų | 19 | 42.3 Ų | 42.3 | 9% | 0.089 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.1 | -41.3 | 175.4 | -72.6 | 170.1 | -170.5 | 0 | 0 | 112.3 | I60 Y140 T196 R197 H198 K203 L204 | I60-E200 WeakPolarHBondContact CG2-OE1 3.19Å; Y140-E200 HydrophobicContact CE1-CB 4.24Å; Y140-E200 VanDerWaalsContact OH-CD 3.31Å; Y140-E200 PolarHBondContact OH-OE2 2.79Å; T196-E200 WeakPolarHBondContact O-CG 3.12Å; T196-E200 PolarHBondContact O-N 2.89Å; R197-E200 WeakPolarHBondContact CD-OE2 3.42Å; R197-E200 IonicContact CZ-OE2 3.89Å; R197-E200 IonicContact NH1-OE1 2.83Å; R197-E200 PolarHBondContact NH1-OE1 3.48Å; R197-E200 IonicContact NH1-OE2 3.82Å; R197-E200 PolarHBondContact NH1-OE2 2.83Å; R197-E200 WeakPolarHBondContact O-CB 3.24Å; R197-E200 PolarHBondContact O-N 3.08Å; H198-E200 VanDerWaalsContact C-N 3.3Å; H198-E200 PolarHBondContact O-N 3.13Å; E200-K203 PolarHBondContact O-N 3.48Å; E200-L204 WeakPolarHBondContact O-CB 3.05Å; E200-L204 PolarHBondContact O-N 2.85Å |
| 201 | I | 93.4 | Very high | 89 | Confident | 3 Ų | 3 | 42.4 Ų | 42.4 | 2% | 0.015 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.6 | -46.4 | 174.6 | -69.6 | 171.1 | 0 | 0 | 0 | 110.6 | R141 C144 I148 L168 R197 H198 K203 L204 E205 | R141-I201 HydrophobicContact CG-CG1 4.48Å; R141-I201 HydrophobicContact CG-CG2 4.31Å; C144-I201 HydrophobicContact CB-CD1 3.78Å; C144-I201 HydrophobicContact CB-CG1 3.63Å; I148-I201 HydrophobicContact CD1-CD1 3.76Å; L168-I201 HydrophobicContact CD1-CD1 4.16Å; L168-I201 HydrophobicContact CD2-CD1 3.72Å; R197-I201 WeakPolarHBondContact O-CG1 3.44Å; R197-I201 PolarHBondContact O-N 3.39Å; H198-I201 PolarHBondContact O-N 3.03Å; I201-K203 PolarHBondContact O-N 3.1Å; I201-L204 WeakPolarHBondContact O-CB 3.34Å; I201-L204 PolarHBondContact O-N 2.97Å; I201-E205 HydrophobicContact CG2-CG 4.28Å; I201-E205 WeakPolarHBondContact CG2-OE1 2.84Å; I201-E205 WeakPolarHBondContact O-CG 3.49Å; I201-E205 PolarHBondContact O-N 3.38Å |
| 202 | I | 91.3 | Very high | 88.7 | Confident | 60 Ų | 60 | 46.8 Ų | 46.8 | 31% | 0.308 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -60 | -45.5 | 178.7 | -69.1 | 167.8 | 0 | 0 | 0 | 111.4 | H198 T199 L204 E205 N206 | H198-I202 WeakPolarHBondContact CE1-CD1 3.4Å; H198-I202 WeakPolarHBondContact O-CG1 3.45Å; H198-I202 PolarHBondContact O-N 3.48Å; T199-I202 PolarHBondContact O-N 3.34Å; I202-L204 VanDerWaalsContact C-N 3.3Å; I202-L204 PolarHBondContact O-N 2.93Å; I202-E205 PolarHBondContact O-N 3.43Å; I202-N206 WeakPolarHBondContact O-CB 3.28Å; I202-N206 VanDerWaalsContact O-CG 3.24Å; I202-N206 PolarHBondContact O-N 3.25Å; I202-N206 PolarHBondContact O-ND2 3.02Å |
| 203 | K | 90.1 | Very high | 88.1 | Confident | 93 Ų | 93 | 49 Ų | 49 | 40% | 0.404 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -60.8 | -42 | 178 | -73.4 | 179.8 | -179.3 | -176.5 | 0 | 111.4 | E75 T199 E200 I201 N206 S207 | E75-K203 WeakPolarHBondContact OE1-CE 3.45Å; E75-K203 IonicContact OE1-NZ 3.29Å; E75-K203 PolarHBondContact OE1-NZ 3.06Å; T199-K203 WeakPolarHBondContact O-CG 3.33Å; T199-K203 PolarHBondContact O-N 3.39Å; E200-K203 PolarHBondContact O-N 3.48Å; I201-K203 PolarHBondContact O-N 3.1Å; K203-N206 PolarHBondContact O-N 3.03Å; K203-S207 PolarHBondContact O-N 3.16Å |
| 204 | L | 90.9 | Very high | 87.7 | Confident | 7 Ų | 7 | 48.8 Ų | 48.8 | 4% | 0.037 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.2 | -47.9 | 177.5 | 179.2 | 142.3 | 0 | 0 | 0 | 112.5 | Q137 Y140 R141 E200 I201 I202 N206 S207 I208 | Q137-L204 HydrophobicContact CB-CD1 3.91Å; Q137-L204 HydrophobicContact CB-CD2 4.39Å; Q137-L204 HydrophobicContact CB-CG 4.07Å; Q137-L204 VanDerWaalsContact O-CD1 3.23Å; Q137-L204 WeakPolarHBondContact O-CD1 3.46Å; Q137-L204 VanDerWaalsContact OE1-CG 3.24Å; Y140-L204 HydrophobicContact CD1-CD1 3.59Å; Y140-L204 HydrophobicContact CG-CD1 4.29Å; R141-L204 HydrophobicContact CB-CD1 4.34Å; R141-L204 HydrophobicContact CB-CD2 3.72Å; R141-L204 HydrophobicContact CG-CD2 3.99Å; E200-L204 WeakPolarHBondContact O-CB 3.05Å; E200-L204 PolarHBondContact O-N 2.85Å; I201-L204 WeakPolarHBondContact O-CB 3.34Å; I201-L204 PolarHBondContact O-N 2.97Å; I202-L204 VanDerWaalsContact C-N 3.3Å; I202-L204 PolarHBondContact O-N 2.93Å; L204-N206 VanDerWaalsContact C-N 3.27Å; L204-N206 PolarHBondContact O-N 3.02Å; L204-S207 WeakPolarHBondContact O-CB 3.49Å; L204-S207 PolarHBondContact O-N 3.38Å; L204-S207 VanDerWaalsContact O-N 3.09Å; L204-I208 HydrophobicContact CD2-CD1 3.63Å; L204-I208 HydrophobicContact CD2-CG1 4.47Å; L204-I208 HydrophobicContact CG-CD1 4.32Å; L204-I208 WeakPolarHBondContact O-CG1 3.43Å; L204-I208 PolarHBondContact O-N 3.35Å |
| 205 | E | 89.6 | Confident | 87.1 | Confident | 60 Ų | 60 | 51 Ų | 51 | 28% | 0.28 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.5 | -37.9 | 177.6 | -73.7 | 177.5 | -179.4 | 0 | 0 | 111.8 | I201 I202 I208 R209 | I201-E205 HydrophobicContact CG2-CG 4.28Å; I201-E205 WeakPolarHBondContact CG2-OE1 2.84Å; I201-E205 WeakPolarHBondContact O-CG 3.49Å; I201-E205 PolarHBondContact O-N 3.38Å; I202-E205 PolarHBondContact O-N 3.43Å; E205-I208 PolarHBondContact O-N 2.96Å; E205-R209 VanDerWaalsContact O-CB 3.26Å; E205-R209 WeakPolarHBondContact O-CB 3.24Å; E205-R209 PolarHBondContact O-N 3.18Å |
| 206 | N | 88.8 | Confident | 86.6 | Confident | 71 Ų | 71 | 49.8 Ų | 49.8 | 38% | 0.38 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63 | -45 | 172.4 | -70.6 | -23.3 | 0 | 0 | 0 | 111.5 | I202 K203 L204 I208 R209 E210 | I202-N206 WeakPolarHBondContact O-CB 3.28Å; I202-N206 VanDerWaalsContact O-CG 3.24Å; I202-N206 PolarHBondContact O-N 3.25Å; I202-N206 PolarHBondContact O-ND2 3.02Å; K203-N206 PolarHBondContact O-N 3.03Å; L204-N206 VanDerWaalsContact C-N 3.27Å; L204-N206 PolarHBondContact O-N 3.02Å; N206-I208 PolarHBondContact O-N 3.26Å; N206-R209 PolarHBondContact O-N 3.5Å; N206-R209 PolarHBondContact OD1-NH1 3.31Å; N206-E210 VanDerWaalsContact O-CG 3.28Å; N206-E210 WeakPolarHBondContact O-CG 3.43Å; N206-E210 PolarHBondContact O-N 2.97Å |
| 207 | S | 86.4 | Confident | 85.8 | Confident | 10 Ų | 10 | 50.9 Ų | 50.9 | 7% | 0.07 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.2 | -44.3 | 176.4 | 178.9 | 0 | 0 | 0 | 0 | 112.4 | T78 Y133 K203 L204 E210 L211 | T78-S207 VanDerWaalsContact CG2-OG 3.28Å; T78-S207 WeakPolarHBondContact CG2-OG 3.49Å; Y133-S207 PolarHBondContact OH-OG 3.47Å; Y133-S207 VanDerWaalsContact OH-OG 3.06Å; K203-S207 PolarHBondContact O-N 3.16Å; L204-S207 WeakPolarHBondContact O-CB 3.49Å; L204-S207 PolarHBondContact O-N 3.38Å; L204-S207 VanDerWaalsContact O-N 3.09Å; S207-E210 PolarHBondContact O-N 3.33Å; S207-L211 WeakPolarHBondContact O-CG 3.12Å; S207-L211 PolarHBondContact O-N 3.5Å |
| 208 | I | 86.5 | Confident | 84.8 | Confident | 44 Ų | 44 | 51.2 Ų | 51.2 | 23% | 0.226 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.6 | -44.6 | 176.4 | -65.5 | 174.6 | 0 | 0 | 0 | 110.3 | Q137 L204 E205 N206 E210 L211 H212 | Q137-I208 HydrophobicContact CB-CD1 3.86Å; Q137-I208 HydrophobicContact CB-CG1 4.09Å; Q137-I208 HydrophobicContact CG-CG1 4.46Å; L204-I208 HydrophobicContact CD2-CD1 3.63Å; L204-I208 HydrophobicContact CD2-CG1 4.47Å; L204-I208 HydrophobicContact CG-CD1 4.32Å; L204-I208 WeakPolarHBondContact O-CG1 3.43Å; L204-I208 PolarHBondContact O-N 3.35Å; E205-I208 PolarHBondContact O-N 2.96Å; N206-I208 PolarHBondContact O-N 3.26Å; I208-E210 VanDerWaalsContact C-N 3.32Å; I208-E210 PolarHBondContact O-N 2.87Å; I208-L211 CarbonylContact O-C 3.59Å; I208-L211 PolarHBondContact O-N 3.43Å; I208-L211 VanDerWaalsContact O-N 3.1Å; I208-H212 PolarHBondContact O-N 3.44Å |
| 209 | R | 86.9 | Confident | 83.9 | Confident | 146 Ų | 146 | 53.7 Ų | 53.7 | 55% | 0.551 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -62.1 | -39.2 | 179.3 | -170 | -178.9 | -61.7 | 105.7 | 1.6 | 112.1 | E205 N206 L211 H212 | E205-R209 VanDerWaalsContact O-CB 3.26Å; E205-R209 WeakPolarHBondContact O-CB 3.24Å; E205-R209 PolarHBondContact O-N 3.18Å; N206-R209 PolarHBondContact O-N 3.5Å; N206-R209 PolarHBondContact OD1-NH1 3.31Å; R209-L211 PolarHBondContact O-N 3.01Å; R209-H212 WeakPolarHBondContact O-CB 3.46Å; R209-H212 PolarHBondContact O-N 3.22Å |
| 210 | E | 80.6 | Confident | 83 | Confident | 111 Ų | 111 | 55.7 Ų | 55.7 | 52% | 0.519 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -67 | -24.8 | 176.5 | -72.9 | -176.9 | 155 | 0 | 0 | 113.4 | K82 N206 S207 I208 | K82-E210 WeakPolarHBondContact CE-OE2 3.43Å; K82-E210 IonicContact NZ-OE1 2.64Å; K82-E210 PolarHBondContact NZ-OE1 3.06Å; K82-E210 IonicContact NZ-OE2 3.73Å; K82-E210 PolarHBondContact NZ-OE2 3.4Å; N206-E210 VanDerWaalsContact O-CG 3.28Å; N206-E210 WeakPolarHBondContact O-CG 3.43Å; N206-E210 PolarHBondContact O-N 2.97Å; S207-E210 PolarHBondContact O-N 3.33Å; I208-E210 VanDerWaalsContact C-N 3.32Å; I208-E210 PolarHBondContact O-N 2.87Å |
| 211 | L | 81.7 | Confident | 81.9 | Confident | 3 Ų | 3 | 56 Ų | 56 | 2% | 0.016 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -94.6 | -4.7 | 175.3 | -64.7 | 172.1 | 0 | 0 | 0 | 112.8 | M130 Y133 S207 I208 R209 D213 M214 F215 | M130-L211 HydrophobicContact CE-CD1 3.98Å; M130-L211 HydrophobicContact CE-CD2 4.26Å; Y133-L211 HydrophobicContact CD1-CD1 3.8Å; Y133-L211 HydrophobicContact CE1-CD1 3.34Å; S207-L211 WeakPolarHBondContact O-CG 3.12Å; S207-L211 PolarHBondContact O-N 3.5Å; I208-L211 CarbonylContact O-C 3.59Å; I208-L211 PolarHBondContact O-N 3.43Å; I208-L211 VanDerWaalsContact O-N 3.1Å; R209-L211 PolarHBondContact O-N 3.01Å; L211-D213 VanDerWaalsContact C-N 3.33Å; L211-D213 PolarHBondContact O-N 3.08Å; L211-M214 HydrophobicContact CD2-CE 3.72Å; L211-M214 HydrophobicContact CD2-SD 4.16Å; L211-M214 WeakPolarHBondContact O-CA 3.44Å; L211-M214 VanDerWaalsContact O-CB 3.27Å; L211-M214 WeakPolarHBondContact O-CB 3.37Å; L211-M214 PolarHBondContact O-N 3.44Å; L211-F215 HydrophobicContact CB-CD2 4.27Å; L211-F215 HydrophobicContact CB-CE2 3.92Å; L211-F215 VanDerWaalsContact O-CD2 3.27Å; L211-F215 WeakPolarHBondContact O-CD2 3.44Å; L211-F215 PolarHBondContact O-N 3.05Å |
| 212 | H | 80.7 | Confident | 80.6 | Confident | 105 Ų | 105 | 58.9 Ų | 58.9 | 49% | 0.486 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -55.7 | -47.6 | -179.8 | 177.6 | -88.1 | 0 | 0 | 0 | 111.9 | I208 R209 M214 F215 V216 | I208-H212 PolarHBondContact O-N 3.44Å; R209-H212 WeakPolarHBondContact O-CB 3.46Å; R209-H212 PolarHBondContact O-N 3.22Å; H212-M214 PolarHBondContact O-N 3.29Å; H212-F215 PolarHBondContact O-N 3.5Å; H212-V216 WeakPolarHBondContact O-CG2 3.35Å; H212-V216 PolarHBondContact O-N 2.91Å |
| 213 | D | 76.1 | Confident | 79.5 | Confident | 112 Ų | 112 | 63.8 Ų | 63.8 | 60% | 0.599 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -59.7 | -33.6 | 178.3 | -67.7 | -8.5 | 0 | 0 | 0 | 111.9 | L211 D217 | L211-D213 VanDerWaalsContact C-N 3.33Å; L211-D213 PolarHBondContact O-N 3.08Å; D213-D217 PolarHBondContact O-N 3.2Å; D213-D217 VanDerWaalsContact O-N 3.08Å |
| 214 | M | 81.4 | Confident | 78 | Confident | 4 Ų | 4 | 63.5 Ų | 63.5 | 2% | 0.02 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -70.1 | -41.9 | 175 | -174.4 | -176.4 | -56.1 | 0 | 0 | 111.5 | A85 F126 M130 L211 H212 V216 D217 M218 | A85-M214 HydrophobicContact CB-CE 3.61Å; A85-M214 HydrophobicContact CB-SD 3.6Å; A85-M214 VanDerWaalsContact CB-SD 3.6Å; F126-M214 HydrophobicContact CE1-SD 4.39Å; F126-M214 HydrophobicContact CZ-CG 4.4Å; F126-M214 HydrophobicContact CZ-SD 3.68Å; M130-M214 HydrophobicContact CE-SD 3.94Å; M130-M214 HydrophobicContact SD-SD 4.5Å; L211-M214 HydrophobicContact CD2-CE 3.72Å; L211-M214 HydrophobicContact CD2-SD 4.16Å; L211-M214 WeakPolarHBondContact O-CA 3.44Å; L211-M214 VanDerWaalsContact O-CB 3.27Å; L211-M214 WeakPolarHBondContact O-CB 3.37Å; L211-M214 PolarHBondContact O-N 3.44Å; H212-M214 PolarHBondContact O-N 3.29Å; M214-V216 VanDerWaalsContact C-N 3.32Å; M214-V216 PolarHBondContact O-N 3.07Å; M214-D217 PolarHBondContact O-N 3.2Å; M214-M218 HydrophobicContact CG-CG 4.43Å; M214-M218 HydrophobicContact CG-SD 3.72Å; M214-M218 WeakPolarHBondContact O-CB 3.19Å; M214-M218 WeakPolarHBondContact O-CG 3.45Å; M214-M218 PolarHBondContact O-N 3.33Å; M214-M218 HydrophobicContact SD-SD 4.4Å |
| 215 | F | 78.2 | Confident | 76.3 | Confident | 48 Ų | 48 | 64.9 Ų | 64.9 | 21% | 0.211 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.5 | -37.8 | 175.8 | -73.5 | -59 | 0 | 0 | 0 | 112.8 | M130 N134 L211 H212 M218 A219 | M130-F215 HydrophobicContact CB-CE1 3.79Å; M130-F215 HydrophobicContact CB-CZ 4.32Å; M130-F215 HydrophobicContact CE-CZ 4.39Å; M130-F215 WeakPolarHBondContact O-CE1 3.38Å; M130-F215 WeakPolarHBondContact O-CZ 3.4Å; N134-F215 HydrophobicContact CB-CE1 4.34Å; N134-F215 HydrophobicContact CB-CE2 4.26Å; N134-F215 HydrophobicContact CB-CZ 3.71Å; L211-F215 HydrophobicContact CB-CD2 4.27Å; L211-F215 HydrophobicContact CB-CE2 3.92Å; L211-F215 VanDerWaalsContact O-CD2 3.27Å; L211-F215 WeakPolarHBondContact O-CD2 3.44Å; L211-F215 PolarHBondContact O-N 3.05Å; H212-F215 PolarHBondContact O-N 3.5Å; F215-M218 PolarHBondContact O-N 2.95Å; F215-A219 WeakPolarHBondContact O-CB 3.44Å; F215-A219 PolarHBondContact O-N 3.05Å |
| 216 | V | 79.9 | Confident | 74.6 | Confident | 63 Ų | 63 | 63.7 Ų | 63.7 | 38% | 0.382 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.9 | -48.7 | 175.4 | 175.1 | 0 | 0 | 0 | 0 | 110.8 | H212 M214 M218 A219 M220 | H212-V216 WeakPolarHBondContact O-CG2 3.35Å; H212-V216 PolarHBondContact O-N 2.91Å; M214-V216 VanDerWaalsContact C-N 3.32Å; M214-V216 PolarHBondContact O-N 3.07Å; V216-M218 VanDerWaalsContact C-N 3.25Å; V216-M218 PolarHBondContact O-N 3.49Å; V216-A219 PolarHBondContact O-N 3.41Å; V216-M220 HydrophobicContact CG1-CE 4.06Å; V216-M220 PolarHBondContact O-N 3.45Å |
| 217 | D | 74.1 | Confident | 72.9 | Confident | 42 Ų | 42 | 69.2 Ų | 69.2 | 23% | 0.225 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -56 | -42.7 | 174.9 | -79.1 | -17.5 | 0 | 0 | 0 | 111.3 | R89 D213 M214 M220 L221 | R89-D217 IonicContact CZ-OD2 3.43Å; R89-D217 IonicContact NH1-OD2 2.62Å; R89-D217 PolarHBondContact NH1-OD2 3.03Å; D213-D217 PolarHBondContact O-N 3.2Å; D213-D217 VanDerWaalsContact O-N 3.08Å; M214-D217 PolarHBondContact O-N 3.2Å; D217-M220 PolarHBondContact O-N 3.1Å; D217-L221 WeakPolarHBondContact O-CB 3.25Å; D217-L221 WeakPolarHBondContact O-CG 3.02Å; D217-L221 PolarHBondContact O-N 2.57Å |
| 218 | M | 72.1 | Confident | 71 | Confident | 7 Ų | 7 | 73.8 Ų | 73.8 | 3% | 0.034 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -71.2 | -36.9 | -177.9 | -71.7 | 175.6 | 79.3 | 0 | 0 | 113 | F126 V127 M130 M214 F215 V216 M220 L221 V222 | F126-M218 HydrophobicContact CB-CE 4.27Å; F126-M218 HydrophobicContact CD1-CE 3.2Å; F126-M218 HydrophobicContact CD1-CG 4.47Å; F126-M218 HydrophobicContact CD1-SD 3.83Å; F126-M218 HydrophobicContact CD2-CE 4.4Å; F126-M218 HydrophobicContact CE1-CE 3.47Å; F126-M218 VanDerWaalsContact CE1-CE 3.47Å; F126-M218 HydrophobicContact CE1-CG 4.21Å; F126-M218 HydrophobicContact CE1-SD 3.41Å; F126-M218 WeakPolarHBondContact CE1-SD 3.31Å; F126-M218 HydrophobicContact CG-CE 3.71Å; F126-M218 HydrophobicContact CZ-CE 4.18Å; F126-M218 HydrophobicContact CZ-SD 3.98Å; V127-M218 HydrophobicContact CB-CE 3.78Å; V127-M218 HydrophobicContact CG2-CB 4.16Å; V127-M218 HydrophobicContact CG2-CE 3.33Å; V127-M218 VanDerWaalsContact N-CE 3.27Å; M130-M218 HydrophobicContact CB-CE 4.18Å; M130-M218 HydrophobicContact CB-SD 4.35Å; M130-M218 HydrophobicContact CG-CE 4.09Å; M130-M218 HydrophobicContact CG-SD 4.17Å; M214-M218 HydrophobicContact CG-CG 4.43Å; M214-M218 HydrophobicContact CG-SD 3.72Å; M214-M218 WeakPolarHBondContact O-CB 3.19Å; M214-M218 WeakPolarHBondContact O-CG 3.45Å; M214-M218 PolarHBondContact O-N 3.33Å; M214-M218 HydrophobicContact SD-SD 4.4Å; F215-M218 PolarHBondContact O-N 2.95Å; V216-M218 VanDerWaalsContact C-N 3.25Å; V216-M218 PolarHBondContact O-N 3.49Å; M218-M220 VanDerWaalsContact C-N 3.34Å; M218-L221 PolarHBondContact O-N 2.8Å; M218-V222 WeakPolarHBondContact O-CG2 3.34Å; M218-V222 PolarHBondContact O-N 2.98Å |
| 219 | A | 71.8 | Confident | 69.4 | Low | 61 Ų | 61 | 73.6 Ų | 73.6 | 50% | 0.504 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61.3 | -44.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111 | F215 V216 V222 E223 | F215-A219 WeakPolarHBondContact O-CB 3.44Å; F215-A219 PolarHBondContact O-N 3.05Å; V216-A219 PolarHBondContact O-N 3.41Å; A219-V222 PolarHBondContact O-N 2.67Å; A219-E223 WeakPolarHBondContact O-CB 3.4Å; A219-E223 PolarHBondContact O-N 3.45Å |
| 220 | M | 71.8 | Confident | 67.7 | Low | 100 Ų | 100 | 73.3 Ų | 73.3 | 49% | 0.493 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -66 | -40.1 | 176 | -66.9 | -174.1 | -65.5 | 0 | 0 | 112.4 | V216 D217 M218 E223 S224 | V216-M220 HydrophobicContact CG1-CE 4.06Å; V216-M220 PolarHBondContact O-N 3.45Å; D217-M220 PolarHBondContact O-N 3.1Å; M218-M220 VanDerWaalsContact C-N 3.34Å; M220-E223 PolarHBondContact O-N 3.36Å; M220-S224 WeakPolarHBondContact O-CB 3.47Å; M220-S224 PolarHBondContact O-N 3.24Å; M220-S224 PolarHBondContact O-OG 3.41Å |
| 221 | L | 67.8 | Low | 66.4 | Low | 25 Ų | 25 | 76 Ų | 76 | 13% | 0.131 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -63.4 | -39.6 | 176.6 | -84.6 | 166.6 | 0 | 0 | 0 | 112.4 | E96 D217 M218 S224 Q225 | E96-L221 VanDerWaalsContact OE1-CD2 3.25Å; E96-L221 WeakPolarHBondContact OE1-CD2 3.5Å; D217-L221 WeakPolarHBondContact O-CB 3.25Å; D217-L221 WeakPolarHBondContact O-CG 3.02Å; D217-L221 PolarHBondContact O-N 2.57Å; M218-L221 PolarHBondContact O-N 2.8Å; L221-S224 PolarHBondContact O-OG 3.48Å; L221-Q225 WeakPolarHBondContact O-CB 3.46Å; L221-Q225 WeakPolarHBondContact O-CG 3.38Å; L221-Q225 PolarHBondContact O-N 2.98Å; L221-Q225 PolarHBondContact O-NE2 3.05Å |
| 222 | V | 67.1 | Low | 65 | Low | 64 Ų | 64 | 82.6 Ų | 82.6 | 39% | 0.388 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -73.5 | -40.2 | 178.2 | 174.3 | 0 | 0 | 0 | 0 | 111.4 | V127 M218 A219 Q225 | V127-V222 HydrophobicContact CB-CG2 4.35Å; V127-V222 HydrophobicContact CG1-CG2 4.31Å; V127-V222 HydrophobicContact CG2-CG2 3.48Å; V127-V222 VanDerWaalsContact CG2-CG2 3.48Å; M218-V222 WeakPolarHBondContact O-CG2 3.34Å; M218-V222 PolarHBondContact O-N 2.98Å; A219-V222 PolarHBondContact O-N 2.67Å; V222-Q225 PolarHBondContact O-N 3.27Å |
| 223 | E | 67.3 | Low | 63.5 | Low | 163 Ų | 163 | 84.8 Ų | 84.8 | 76% | 0.762 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -64.9 | -44.9 | 179 | -174.9 | 173.7 | -163 | 0 | 0 | 112 | A219 M220 Q225 G226 | A219-E223 WeakPolarHBondContact O-CB 3.4Å; A219-E223 PolarHBondContact O-N 3.45Å; M220-E223 PolarHBondContact O-N 3.36Å; E223-Q225 VanDerWaalsContact C-N 3.32Å; E223-Q225 PolarHBondContact O-N 3.34Å; E223-G226 PolarHBondContact O-N 2.95Å |
| 224 | S | 59.2 | Low | 62.5 | Low | 87 Ų | 87 | 83.4 Ų | 83.4 | 61% | 0.608 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -68 | -27.7 | 179.9 | 56.8 | 0 | 0 | 0 | 0 | 113.9 | M220 L221 | M220-S224 WeakPolarHBondContact O-CB 3.47Å; M220-S224 PolarHBondContact O-N 3.24Å; M220-S224 PolarHBondContact O-OG 3.41Å; L221-S224 PolarHBondContact O-OG 3.48Å |
| 225 | Q | 54.3 | Low | 61.3 | Low | 37 Ų | 37 | 85.3 Ų | 85.3 | 17% | 0.173 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -76.7 | -21.3 | -179.1 | -75.6 | 177.1 | 53 | 0 | 0 | 113.9 | H119 S120 L221 V222 E223 | H119-Q225 PolarHBondContact CE1-NE2 3.12Å; S120-Q225 PolarHBondContact OG-OE1 3.22Å; L221-Q225 WeakPolarHBondContact O-CB 3.46Å; L221-Q225 WeakPolarHBondContact O-CG 3.38Å; L221-Q225 PolarHBondContact O-N 2.98Å; L221-Q225 PolarHBondContact O-NE2 3.05Å; V222-Q225 PolarHBondContact O-N 3.27Å; E223-Q225 VanDerWaalsContact C-N 3.32Å; E223-Q225 PolarHBondContact O-N 3.34Å |
| 226 | G | 54.6 | Low | 60.5 | Low | 35 Ų | 35 | 87.2 Ų | 87.2 | 36% | 0.361 | 46% | 0.456 | S | S | . | . | trans | 60.2 | 168.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | E223 M228 | E223-G226 PolarHBondContact O-N 2.95Å; G226-M228 PolarHBondContact O-N 3.17Å | ||
| 227 | E | 51.9 | Low | 59.3 | Low | 186 Ų | 186 | 90.5 Ų | 90.5 | 87% | 0.869 | 47% | 0.467 | S | S | * | . | G | 310 helix | trans | -66.4 | -0.8 | 174.1 | -83.8 | -172.4 | 149.4 | 0 | 0 | 114.1 | I229 | E227-I229 VanDerWaalsContact C-N 3.33Å; E227-I229 PolarHBondContact O-N 3.33Å |
| 228 | M | 47.7 | Very low | 58.4 | Low | 106 Ų | 106 | 92.1 Ų | 92.1 | 52% | 0.522 | 47% | 0.473 | S | S | . | . | G | 310 helix | trans | -78.9 | -10.4 | -163.6 | -134 | -179.6 | -56.7 | 0 | 0 | 114.8 | G226 Y234 | G226-M228 PolarHBondContact O-N 3.17Å; M228-Y234 HydrophobicContact CG-CD1 4.07Å; M228-Y234 HydrophobicContact CG-CD2 4.35Å; M228-Y234 HydrophobicContact CG-CE1 3.88Å; M228-Y234 HydrophobicContact CG-CE2 4.15Å; M228-Y234 HydrophobicContact CG-CG 4.3Å; M228-Y234 HydrophobicContact SD-CD1 4.41Å; M228-Y234 HydrophobicContact SD-CD2 4.43Å; M228-Y234 HydrophobicContact SD-CE1 3.66Å; M228-Y234 HydrophobicContact SD-CE2 3.66Å; M228-Y234 PolarHBondContact SD-OH 3.38Å |
| 229 | I | 52.2 | Low | 57.7 | Low | 41 Ų | 41 | 93.7 Ų | 93.7 | 21% | 0.21 | 48% | 0.484 | C | S | . | . | G | 310 helix | trans | -87.9 | -20.6 | -177 | -66.4 | 177.6 | 0 | 0 | 0 | 112.7 | S120 E227 R231 | S120-I229 WeakPolarHBondContact OG-CD1 3.32Å; E227-I229 VanDerWaalsContact C-N 3.33Å; E227-I229 PolarHBondContact O-N 3.33Å; I229-R231 VanDerWaalsContact C-N 3.32Å; I229-R231 PolarHBondContact O-N 3.39Å |
| 230 | D | 52.2 | Low | 56.9 | Low | 140 Ų | 140 | 95.1 Ų | 95.1 | 75% | 0.749 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -85.5 | -2.9 | -175.5 | -147.2 | 21.7 | 0 | 0 | 0 | 113.7 | I232 | D230-I232 PolarHBondContact O-N 3.35Š|
| 231 | R | 53.3 | Low | 56 | Low | 168 Ų | 168 | 94.7 Ų | 94.7 | 63% | 0.634 | 49% | 0.486 | S | S | * | . | trans | -90 | 96.4 | 171.1 | -66.7 | -168.5 | -173.2 | -158 | 4 | 109.4 | I229 E233 Y234 N235 | I229-R231 VanDerWaalsContact C-N 3.32Å; I229-R231 PolarHBondContact O-N 3.39Å; R231-E233 PolarHBondContact O-N 3.04Å; R231-E233 VanDerWaalsContact O-N 3.08Å; R231-Y234 WeakPolarHBondContact O-CB 3.12Å; R231-Y234 PolarHBondContact O-N 3.46Å; R231-N235 PolarHBondContact O-N 3.23Å | ||
| 232 | I | 52.5 | Low | 55.4 | Low | 140 Ų | 140 | 98 Ų | 98 | 72% | 0.718 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -45.7 | -38.2 | 164.9 | -63.6 | 174 | 0 | 0 | 0 | 110.3 | D230 N235 V236 | D230-I232 PolarHBondContact O-N 3.35Å; I232-N235 PolarHBondContact O-N 2.93Å; I232-V236 HydrophobicContact CG2-CG2 4.33Å; I232-V236 WeakPolarHBondContact O-CB 3.46Å; I232-V236 WeakPolarHBondContact O-CG2 3.43Å; I232-V236 PolarHBondContact O-N 3.24Å |
| 233 | E | 47.7 | Very low | 55.1 | Low | 152 Ų | 152 | 99.5 Ų | 99.5 | 71% | 0.71 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -59.8 | -43.6 | 176.2 | -168.1 | 170.8 | -154.6 | 0 | 0 | 113.4 | R231 V236 E237 | R231-E233 PolarHBondContact O-N 3.04Å; R231-E233 VanDerWaalsContact O-N 3.08Å; E233-V236 PolarHBondContact O-N 3.44Å; E233-E237 WeakPolarHBondContact O-CB 3.05Å; E233-E237 PolarHBondContact O-N 3.34Å |
| 234 | Y | 56.6 | Low | 54.5 | Low | 83 Ų | 83 | 98.2 Ų | 98.2 | 33% | 0.325 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.4 | -43.3 | 179.2 | -175.9 | -97.5 | 0 | 0 | 0 | 111.8 | M228 R231 V236 E237 H238 | M228-Y234 HydrophobicContact CG-CD1 4.07Å; M228-Y234 HydrophobicContact CG-CD2 4.35Å; M228-Y234 HydrophobicContact CG-CE1 3.88Å; M228-Y234 HydrophobicContact CG-CE2 4.15Å; M228-Y234 HydrophobicContact CG-CG 4.3Å; M228-Y234 HydrophobicContact SD-CD1 4.41Å; M228-Y234 HydrophobicContact SD-CD2 4.43Å; M228-Y234 HydrophobicContact SD-CE1 3.66Å; M228-Y234 HydrophobicContact SD-CE2 3.66Å; M228-Y234 PolarHBondContact SD-OH 3.38Å; R231-Y234 WeakPolarHBondContact O-CB 3.12Å; R231-Y234 PolarHBondContact O-N 3.46Å; Y234-V236 VanDerWaalsContact C-N 3.28Å; Y234-V236 PolarHBondContact O-N 2.96Å; Y234-E237 PolarHBondContact O-N 3.33Å; Y234-H238 AromaticContact CD1-CD2 3.93Å; Y234-H238 AromaticContact CE1-CD2 3.57Å; Y234-H238 AromaticContact CE1-NE2 3.51Å; Y234-H238 AromaticContact CE2-NE2 3.41Å; Y234-H238 WeakPolarHBondContact CE2-NE2 3.41Å; Y234-H238 AromaticContact CZ-CD2 3.65Å; Y234-H238 AromaticContact CZ-NE2 3.07Å; Y234-H238 PolarHBondContact O-CD2 3.22Å; Y234-H238 VanDerWaalsContact O-CD2 3.23Å; Y234-H238 PolarHBondContact O-N 3.11Å; Y234-H238 PolarHBondContact OH-NE2 2.96Å; Y234-H238 VanDerWaalsContact OH-NE2 3.13Å |
| 235 | N | 55.6 | Low | 54.4 | Low | 44 Ų | 44 | 102.5 Ų | 102.5 | 24% | 0.235 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -67.4 | -29.6 | 177.4 | -74 | -24.3 | 0 | 0 | 0 | 112.6 | R113 R231 I232 S239 | R113-N235 PolarHBondContact NH1-O 3.42Å; R231-N235 PolarHBondContact O-N 3.23Å; I232-N235 PolarHBondContact O-N 2.93Å; N235-S239 PolarHBondContact O-OG 3Å |
| 236 | V | 61 | Low | 54.8 | Low | 88 Ų | 88 | 103.4 Ų | 103.4 | 53% | 0.533 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -75 | -40.6 | 174.6 | 171.6 | 0 | 0 | 0 | 0 | 111.2 | I232 E233 Y234 H238 S239 | I232-V236 HydrophobicContact CG2-CG2 4.33Å; I232-V236 WeakPolarHBondContact O-CB 3.46Å; I232-V236 WeakPolarHBondContact O-CG2 3.43Å; I232-V236 PolarHBondContact O-N 3.24Å; E233-V236 PolarHBondContact O-N 3.44Å; Y234-V236 VanDerWaalsContact C-N 3.28Å; Y234-V236 PolarHBondContact O-N 2.96Å; V236-H238 VanDerWaalsContact C-N 3.34Å; V236-H238 PolarHBondContact O-N 3.15Å; V236-S239 WeakPolarHBondContact O-CB 3.21Å; V236-S239 PolarHBondContact O-N 3.18Å; V236-S239 PolarHBondContact O-OG 3.23Å; V236-S239 VanDerWaalsContact O-OG 3.05Å |
| 237 | E | 55.5 | Low | 55.4 | Low | 131 Ų | 131 | 105 Ų | 105 | 61% | 0.612 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -57.2 | -43.4 | 178.2 | -169.7 | 173.8 | -170.7 | 0 | 0 | 112.2 | E233 Y234 S239 V240 | E233-E237 WeakPolarHBondContact O-CB 3.05Å; E233-E237 PolarHBondContact O-N 3.34Å; Y234-E237 PolarHBondContact O-N 3.33Å; E237-S239 PolarHBondContact O-N 3.46Å; E237-V240 WeakPolarHBondContact O-CB 3.27Å; E237-V240 WeakPolarHBondContact O-CG2 2.94Å; E237-V240 PolarHBondContact O-N 3.36Å |
| 238 | H | 54.2 | Low | 56.2 | Low | 76 Ų | 76 | 98.7 Ų | 98.7 | 35% | 0.352 | 50% | 0.498 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -4.5 | 175.1 | -71 | -69.6 | 0 | 0 | 0 | 114.9 | Y234 V236 V240 | Y234-H238 AromaticContact CD1-CD2 3.93Å; Y234-H238 AromaticContact CE1-CD2 3.57Å; Y234-H238 AromaticContact CE1-NE2 3.51Å; Y234-H238 AromaticContact CE2-NE2 3.41Å; Y234-H238 WeakPolarHBondContact CE2-NE2 3.41Å; Y234-H238 AromaticContact CZ-CD2 3.65Å; Y234-H238 AromaticContact CZ-NE2 3.07Å; Y234-H238 PolarHBondContact O-CD2 3.22Å; Y234-H238 VanDerWaalsContact O-CD2 3.23Å; Y234-H238 PolarHBondContact O-N 3.11Å; Y234-H238 PolarHBondContact OH-NE2 2.96Å; Y234-H238 VanDerWaalsContact OH-NE2 3.13Å; V236-H238 VanDerWaalsContact C-N 3.34Å; V236-H238 PolarHBondContact O-N 3.15Å; H238-V240 VanDerWaalsContact C-N 3.33Å |
| 239 | S | 56.8 | Low | 57.4 | Low | 40 Ų | 40 | 97.8 Ų | 97.8 | 28% | 0.28 | 50% | 0.496 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -21.5 | 172.6 | -48.6 | 0 | 0 | 0 | 0 | 113 | R113 N235 V236 E237 D241 F242 | R113-S239 VanDerWaalsContact NH1-CA 3.31Å; R113-S239 PolarHBondContact NH1-OG 3.44Å; N235-S239 PolarHBondContact O-OG 3Å; V236-S239 WeakPolarHBondContact O-CB 3.21Å; V236-S239 PolarHBondContact O-N 3.18Å; V236-S239 PolarHBondContact O-OG 3.23Å; V236-S239 VanDerWaalsContact O-OG 3.05Å; E237-S239 PolarHBondContact O-N 3.46Å; S239-D241 VanDerWaalsContact C-N 3.27Å; S239-D241 PolarHBondContact O-N 3.5Å; S239-F242 PolarHBondContact O-N 3.31Å |
| 240 | V | 55.3 | Low | 58.4 | Low | 91 Ų | 91 | 99.9 Ų | 99.9 | 55% | 0.552 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -66 | -31.5 | -168.7 | 178.2 | 0 | 0 | 0 | 0 | 111.6 | E237 H238 F242 V243 E244 | E237-V240 WeakPolarHBondContact O-CB 3.27Å; E237-V240 WeakPolarHBondContact O-CG2 2.94Å; E237-V240 PolarHBondContact O-N 3.36Å; H238-V240 VanDerWaalsContact C-N 3.33Å; V240-F242 VanDerWaalsContact C-N 3.28Å; V240-F242 PolarHBondContact O-N 3.18Å; V240-V243 PolarHBondContact O-N 3.17Å; V240-E244 PolarHBondContact O-N 3.07Å |
| 241 | D | 52.3 | Low | 59.3 | Low | 92 Ų | 92 | 100.1 Ų | 100.1 | 49% | 0.492 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.4 | -29.8 | -179.8 | -74.5 | 3.3 | 0 | 0 | 0 | 114.2 | S239 R245 | S239-D241 VanDerWaalsContact C-N 3.27Å; S239-D241 PolarHBondContact O-N 3.5Å; D241-R245 PolarHBondContact O-N 3.26Å |
| 242 | F | 55.5 | Low | 60.4 | Low | 94 Ų | 94 | 96.8 Ų | 96.8 | 41% | 0.412 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -71.6 | -37.8 | 177.6 | -95.2 | -82.6 | 0 | 0 | 0 | 112.8 | S108 S239 V240 E244 R245 A246 | S108-F242 WeakPolarHBondContact O-CE2 3.28Å; S108-F242 WeakPolarHBondContact O-CZ 3.42Å; S239-F242 PolarHBondContact O-N 3.31Å; V240-F242 VanDerWaalsContact C-N 3.28Å; V240-F242 PolarHBondContact O-N 3.18Å; F242-E244 VanDerWaalsContact C-N 3.29Å; F242-E244 PolarHBondContact O-N 3.26Å; F242-R245 PolarHBondContact O-N 3.13Å; F242-A246 WeakPolarHBondContact O-CB 3.45Å; F242-A246 PolarHBondContact O-N 2.92Å |
| 243 | V | 60.6 | Low | 61.3 | Low | 95 Ų | 95 | 92.9 Ų | 92.9 | 58% | 0.576 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -66.4 | -38.3 | 177.9 | 179.2 | 0 | 0 | 0 | 0 | 109.4 | V240 A246 V247 | V240-V243 PolarHBondContact O-N 3.17Å; V243-A246 PolarHBondContact O-N 2.87Å; V243-V247 HydrophobicContact CG1-CG2 4.24Å; V243-V247 WeakPolarHBondContact O-CB 3.19Å; V243-V247 WeakPolarHBondContact O-CG2 3.43Å; V243-V247 PolarHBondContact O-N 3.45Å |
| 244 | E | 55.4 | Low | 62.7 | Low | 137 Ų | 137 | 89.9 Ų | 89.9 | 64% | 0.64 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -65.8 | -41 | 179.2 | -164.5 | 170.5 | -163.1 | 0 | 0 | 112.7 | V240 F242 V247 S248 | V240-E244 PolarHBondContact O-N 3.07Å; F242-E244 VanDerWaalsContact C-N 3.29Å; F242-E244 PolarHBondContact O-N 3.26Å; E244-V247 PolarHBondContact O-N 3.44Å; E244-S248 WeakPolarHBondContact O-CB 3.37Å; E244-S248 PolarHBondContact O-N 3.31Å |
| 245 | R | 57.4 | Low | 63.7 | Low | 177 Ų | 177 | 92.7 Ų | 92.7 | 67% | 0.668 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -66.2 | -43.3 | 172.8 | -71.5 | -174.5 | -171.7 | 179.5 | 5 | 112.4 | D241 F242 V247 S248 D249 | D241-R245 PolarHBondContact O-N 3.26Å; F242-R245 PolarHBondContact O-N 3.13Å; R245-V247 VanDerWaalsContact C-N 3.33Å; R245-V247 PolarHBondContact O-N 3.48Å; R245-S248 WeakPolarHBondContact O-CB 3.38Å; R245-S248 PolarHBondContact O-N 3.16Å; R245-S248 VanDerWaalsContact O-N 3.11Å; R245-D249 PolarHBondContact O-N 2.83Å |
| 246 | A | 61.7 | Low | 64.8 | Low | 55 Ų | 55 | 98.2 Ų | 98.2 | 46% | 0.455 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.9 | -39.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | F242 V243 S248 D249 T250 | F242-A246 WeakPolarHBondContact O-CB 3.45Å; F242-A246 PolarHBondContact O-N 2.92Å; V243-A246 PolarHBondContact O-N 2.87Å; A246-S248 VanDerWaalsContact C-N 3.33Å; A246-D249 PolarHBondContact O-N 2.99Å; A246-T250 WeakPolarHBondContact O-CB 3.43Å; A246-T250 VanDerWaalsContact O-CG2 3.27Å; A246-T250 WeakPolarHBondContact O-CG2 3.39Å; A246-T250 PolarHBondContact O-N 3.21Å; A246-T250 PolarHBondContact O-OG1 2.89Å |
| 247 | V | 66.9 | Low | 65.5 | Low | 68 Ų | 68 | 99.3 Ų | 99.3 | 41% | 0.412 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66 | -35.7 | 173.8 | 170.6 | 0 | 0 | 0 | 0 | 111.6 | V243 E244 R245 T250 K251 | V243-V247 HydrophobicContact CG1-CG2 4.24Å; V243-V247 WeakPolarHBondContact O-CB 3.19Å; V243-V247 WeakPolarHBondContact O-CG2 3.43Å; V243-V247 PolarHBondContact O-N 3.45Å; E244-V247 PolarHBondContact O-N 3.44Å; R245-V247 VanDerWaalsContact C-N 3.33Å; R245-V247 PolarHBondContact O-N 3.48Å; V247-T250 WeakPolarHBondContact CA-OG1 3.43Å; V247-T250 PolarHBondContact O-OG1 3.11Å; V247-K251 WeakPolarHBondContact O-CB 3.33Å; V247-K251 WeakPolarHBondContact O-CG 3.45Å; V247-K251 PolarHBondContact O-N 2.99Å; V247-K251 VanDerWaalsContact O-N 3.16Å |
| 248 | S | 69.8 | Low | 66.5 | Low | 54 Ų | 54 | 94.9 Ų | 94.9 | 38% | 0.378 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -68.3 | -44.5 | 175.7 | -170.6 | 0 | 0 | 0 | 0 | 112.3 | E244 R245 A246 K251 K252 | E244-S248 WeakPolarHBondContact O-CB 3.37Å; E244-S248 PolarHBondContact O-N 3.31Å; R245-S248 WeakPolarHBondContact O-CB 3.38Å; R245-S248 PolarHBondContact O-N 3.16Å; R245-S248 VanDerWaalsContact O-N 3.11Å; A246-S248 VanDerWaalsContact C-N 3.33Å; S248-K251 WeakPolarHBondContact O-CB 3.33Å; S248-K251 PolarHBondContact O-N 3.43Å; S248-K252 WeakPolarHBondContact O-CG 3.42Å; S248-K252 PolarHBondContact O-N 2.87Å |
| 249 | D | 72.4 | Confident | 67.7 | Low | 88 Ų | 88 | 96.2 Ų | 96.2 | 47% | 0.471 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -74.1 | -35.4 | -177.7 | -70.8 | -20 | 0 | 0 | 0 | 112.3 | R245 A246 K251 K252 A253 | R245-D249 PolarHBondContact O-N 2.83Å; A246-D249 PolarHBondContact O-N 2.99Å; D249-K251 PolarHBondContact O-N 3.48Å; D249-K252 PolarHBondContact O-N 2.97Å; D249-K252 IonicContact OD1-NZ 2.87Å; D249-K252 PolarHBondContact OD1-NZ 2.96Å; D249-A253 WeakPolarHBondContact O-CB 3.41Å; D249-A253 PolarHBondContact O-N 3.35Å |
| 250 | T | 73 | Confident | 68.7 | Low | 85 Ų | 85 | 97 Ų | 97 | 52% | 0.521 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.6 | -41.3 | 168.6 | 50.2 | 0 | 0 | 0 | 0 | 111.7 | A246 V247 K252 A253 V254 | A246-T250 WeakPolarHBondContact O-CB 3.43Å; A246-T250 VanDerWaalsContact O-CG2 3.27Å; A246-T250 WeakPolarHBondContact O-CG2 3.39Å; A246-T250 PolarHBondContact O-N 3.21Å; A246-T250 PolarHBondContact O-OG1 2.89Å; V247-T250 WeakPolarHBondContact CA-OG1 3.43Å; V247-T250 PolarHBondContact O-OG1 3.11Å; T250-K252 PolarHBondContact O-N 3.47Å; T250-A253 PolarHBondContact O-N 3.5Å; T250-V254 WeakPolarHBondContact O-CG2 3.4Å; T250-V254 PolarHBondContact O-N 3.35Å |
| 251 | K | 71.3 | Confident | 69.9 | Low | 144 Ų | 144 | 99.4 Ų | 99.4 | 63% | 0.626 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.5 | -41.1 | 172.6 | -85.9 | 177.7 | -180 | 171.3 | 0 | 112.6 | V247 S248 D249 K255 | V247-K251 WeakPolarHBondContact O-CB 3.33Å; V247-K251 WeakPolarHBondContact O-CG 3.45Å; V247-K251 PolarHBondContact O-N 2.99Å; V247-K251 VanDerWaalsContact O-N 3.16Å; S248-K251 WeakPolarHBondContact O-CB 3.33Å; S248-K251 PolarHBondContact O-N 3.43Å; D249-K251 PolarHBondContact O-N 3.48Å; K251-K255 WeakPolarHBondContact O-CG 3.14Å; K251-K255 PolarHBondContact O-N 3.45Å; K251-K255 VanDerWaalsContact O-N 3.14Å |
| 252 | K | 75.9 | Confident | 71.2 | Confident | 99 Ų | 99 | 102.4 Ų | 102.4 | 43% | 0.43 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.7 | -43.4 | 175.9 | -69.7 | 172.7 | -162.2 | 153.8 | 0 | 111.4 | S248 D249 T250 V254 K255 Y256 | S248-K252 WeakPolarHBondContact O-CG 3.42Å; S248-K252 PolarHBondContact O-N 2.87Å; D249-K252 PolarHBondContact O-N 2.97Å; D249-K252 IonicContact OD1-NZ 2.87Å; D249-K252 PolarHBondContact OD1-NZ 2.96Å; T250-K252 PolarHBondContact O-N 3.47Å; K252-V254 PolarHBondContact O-N 3.45Å; K252-K255 WeakPolarHBondContact O-CB 3.39Å; K252-K255 PolarHBondContact O-N 2.87Å; K252-K255 VanDerWaalsContact O-N 3.13Å; K252-Y256 HydrophobicContact CB-CD2 4.41Å; K252-Y256 HydrophobicContact CB-CE2 4.17Å; K252-Y256 WeakPolarHBondContact O-CD2 3.4Å; K252-Y256 PolarHBondContact O-N 2.88Å |
| 253 | A | 73.2 | Confident | 72.5 | Confident | 57 Ų | 57 | 104.6 Ų | 104.6 | 47% | 0.471 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -58.8 | -45.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | D249 T250 K255 Y256 Q257 | D249-A253 WeakPolarHBondContact O-CB 3.41Å; D249-A253 PolarHBondContact O-N 3.35Å; T250-A253 PolarHBondContact O-N 3.5Å; A253-K255 VanDerWaalsContact C-N 3.34Å; A253-K255 PolarHBondContact O-N 3Å; A253-Y256 PolarHBondContact O-N 3.24Å; A253-Q257 WeakPolarHBondContact O-CB 3.48Å; A253-Q257 PolarHBondContact O-N 3.42Å |
| 254 | V | 76.4 | Confident | 73.6 | Confident | 89 Ų | 89 | 106.9 Ų | 106.9 | 54% | 0.539 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.1 | -41.8 | 174.6 | 172.9 | 0 | 0 | 0 | 0 | 111.4 | T250 K252 Q257 S258 | T250-V254 WeakPolarHBondContact O-CG2 3.4Å; T250-V254 PolarHBondContact O-N 3.35Å; K252-V254 PolarHBondContact O-N 3.45Å; V254-Q257 PolarHBondContact O-N 3.31Å; V254-S258 WeakPolarHBondContact O-CB 3.42Å; V254-S258 PolarHBondContact O-N 3.27Å |
| 255 | K | 77.7 | Confident | 75 | Confident | 143 Ų | 143 | 105.9 Ų | 105.9 | 62% | 0.622 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.1 | -48.3 | 175 | -78.5 | -177.2 | 179.4 | -179.6 | 0 | 111.6 | K251 K252 A253 S258 Q259 | K251-K255 WeakPolarHBondContact O-CG 3.14Å; K251-K255 PolarHBondContact O-N 3.45Å; K251-K255 VanDerWaalsContact O-N 3.14Å; K252-K255 WeakPolarHBondContact O-CB 3.39Å; K252-K255 PolarHBondContact O-N 2.87Å; K252-K255 VanDerWaalsContact O-N 3.13Å; A253-K255 VanDerWaalsContact C-N 3.34Å; A253-K255 PolarHBondContact O-N 3Å; K255-S258 PolarHBondContact O-N 2.93Å; K255-S258 PolarHBondContact O-OG 3.13Å; K255-Q259 WeakPolarHBondContact O-CG 3.46Å; K255-Q259 PolarHBondContact O-N 3.14Å |
| 256 | Y | 78.9 | Confident | 76.3 | Confident | 159 Ų | 159 | 103.8 Ų | 103.8 | 62% | 0.624 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62 | -43.8 | 178 | -72 | -54.5 | 0 | 0 | 0 | 112.3 | K252 A253 S258 Q259 A260 | K252-Y256 HydrophobicContact CB-CD2 4.41Å; K252-Y256 HydrophobicContact CB-CE2 4.17Å; K252-Y256 WeakPolarHBondContact O-CD2 3.4Å; K252-Y256 PolarHBondContact O-N 2.88Å; A253-Y256 PolarHBondContact O-N 3.24Å; Y256-S258 VanDerWaalsContact C-N 3.33Å; Y256-S258 PolarHBondContact O-N 3.41Å; Y256-Q259 PolarHBondContact O-N 3.26Å; Y256-A260 WeakPolarHBondContact O-CB 3.42Å; Y256-A260 PolarHBondContact O-N 2.87Å |
| 257 | Q | 74.5 | Confident | 77.6 | Confident | 111 Ų | 111 | 106.5 Ų | 106.5 | 52% | 0.519 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60 | -43.6 | 176.1 | -163.2 | -164.3 | 42.3 | 0 | 0 | 111.2 | A253 V254 Q259 A260 R261 | A253-Q257 WeakPolarHBondContact O-CB 3.48Å; A253-Q257 PolarHBondContact O-N 3.42Å; V254-Q257 PolarHBondContact O-N 3.31Å; Q257-Q259 PolarHBondContact O-N 2.86Å; Q257-A260 PolarHBondContact O-N 2.73Å; Q257-R261 WeakPolarHBondContact O-CG 3.46Å; Q257-R261 PolarHBondContact O-N 3Å |
| 258 | S | 77.1 | Confident | 78.6 | Confident | 39 Ų | 39 | 107.4 Ų | 107.4 | 27% | 0.273 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.3 | -37.5 | 178.1 | 78.4 | 0 | 0 | 0 | 0 | 113 | V254 K255 Y256 K262 | V254-S258 WeakPolarHBondContact O-CB 3.42Å; V254-S258 PolarHBondContact O-N 3.27Å; K255-S258 PolarHBondContact O-N 2.93Å; K255-S258 PolarHBondContact O-OG 3.13Å; Y256-S258 VanDerWaalsContact C-N 3.33Å; Y256-S258 PolarHBondContact O-N 3.41Å; S258-K262 WeakPolarHBondContact O-CG 3.48Å; S258-K262 PolarHBondContact O-N 2.96Å |
| 259 | Q | 80 | Confident | 79.6 | Confident | 103 Ų | 103 | 108.2 Ų | 108.2 | 48% | 0.481 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -72 | -39.6 | 176.4 | -70.3 | -178.8 | 5.8 | 0 | 0 | 111.7 | K255 Y256 Q257 R261 K262 K263 | K255-Q259 WeakPolarHBondContact O-CG 3.46Å; K255-Q259 PolarHBondContact O-N 3.14Å; Y256-Q259 PolarHBondContact O-N 3.26Å; Q257-Q259 PolarHBondContact O-N 2.86Å; Q259-R261 PolarHBondContact O-N 3.31Å; Q259-K262 PolarHBondContact O-N 3.29Å; Q259-K263 WeakPolarHBondContact O-CG 3.29Å; Q259-K263 PolarHBondContact O-N 3Å |
| 260 | A | 77.4 | Confident | 80.4 | Confident | 58 Ų | 58 | 107.1 Ų | 107.1 | 48% | 0.479 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.7 | -41.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y256 Q257 K262 K263 K264 | Y256-A260 WeakPolarHBondContact O-CB 3.42Å; Y256-A260 PolarHBondContact O-N 2.87Å; Q257-A260 PolarHBondContact O-N 2.73Å; A260-K262 PolarHBondContact O-N 3.31Å; A260-K263 PolarHBondContact O-N 3.5Å; A260-K264 WeakPolarHBondContact O-CB 3.31Å; A260-K264 PolarHBondContact O-N 2.88Å |
| 261 | R | 80.1 | Confident | 81.2 | Confident | 141 Ų | 141 | 106.7 Ų | 106.7 | 53% | 0.532 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -59.5 | -43.8 | 174.2 | -72.5 | -169 | -65.8 | -114 | 1.1 | 112.4 | Q257 Q259 K264 L265 | Q257-R261 WeakPolarHBondContact O-CG 3.46Å; Q257-R261 PolarHBondContact O-N 3Å; Q259-R261 PolarHBondContact O-N 3.31Å; R261-K264 PolarHBondContact O-N 2.94Å; R261-L265 PolarHBondContact O-N 3.48Å |
| 262 | K | 80.4 | Confident | 82 | Confident | 154 Ų | 154 | 103.7 Ų | 103.7 | 67% | 0.67 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.3 | -42.4 | 177 | -71.3 | 178.8 | 179.8 | -176.8 | 0 | 112.2 | S258 Q259 A260 L265 M266 | S258-K262 WeakPolarHBondContact O-CG 3.48Å; S258-K262 PolarHBondContact O-N 2.96Å; Q259-K262 PolarHBondContact O-N 3.29Å; A260-K262 PolarHBondContact O-N 3.31Å; K262-L265 PolarHBondContact O-N 3.07Å; K262-M266 PolarHBondContact O-N 3.4Å; K262-M266 VanDerWaalsContact O-N 3.07Å |
| 263 | K | 83.1 | Confident | 82.8 | Confident | 140 Ų | 140 | 103.9 Ų | 103.9 | 61% | 0.609 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.7 | -40.8 | 175.7 | -70.8 | -178.4 | -178.7 | -176.3 | 0 | 111.9 | Q259 A260 L265 M266 I267 | Q259-K263 WeakPolarHBondContact O-CG 3.29Å; Q259-K263 PolarHBondContact O-N 3Å; A260-K263 PolarHBondContact O-N 3.5Å; K263-L265 PolarHBondContact O-N 3.25Å; K263-M266 WeakPolarHBondContact O-CB 3.39Å; K263-M266 PolarHBondContact O-N 3.35Å; K263-I267 VanDerWaalsContact O-CG1 3.31Å; K263-I267 WeakPolarHBondContact O-CG1 3.39Å; K263-I267 PolarHBondContact O-N 3.38Å |
| 264 | K | 84.1 | Confident | 83.6 | Confident | 143 Ų | 143 | 106.4 Ų | 106.4 | 62% | 0.622 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -60.1 | -44.2 | 175.4 | -171.1 | 179.9 | 178.9 | -178.8 | 0 | 111.6 | A260 R261 I267 I268 | A260-K264 WeakPolarHBondContact O-CB 3.31Å; A260-K264 PolarHBondContact O-N 2.88Å; R261-K264 PolarHBondContact O-N 2.94Å; K264-I267 PolarHBondContact O-N 3.29Å; K264-I268 HydrophobicContact CG-CD1 4.18Å; K264-I268 VanDerWaalsContact O-CG1 3.29Å; K264-I268 WeakPolarHBondContact O-CG1 3.44Å; K264-I268 PolarHBondContact O-N 3.31Å |
| 265 | L | 84.1 | Confident | 84.2 | Confident | 117 Ų | 117 | 104 Ų | 104 | 61% | 0.613 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62 | -45.5 | 176 | -167.1 | 86.3 | 0 | 0 | 0 | 111.7 | R261 K262 K263 I267 I268 V269 | R261-L265 PolarHBondContact O-N 3.48Å; K262-L265 PolarHBondContact O-N 3.07Å; K263-L265 PolarHBondContact O-N 3.25Å; L265-I267 VanDerWaalsContact C-N 3.35Å; L265-I267 PolarHBondContact O-N 3.05Å; L265-I268 PolarHBondContact O-N 2.99Å; L265-V269 WeakPolarHBondContact O-CG2 3.48Å; L265-V269 PolarHBondContact O-N 3.43Å |
| 266 | M | 85.2 | Confident | 84.8 | Confident | 133 Ų | 133 | 101.6 Ų | 101.6 | 66% | 0.655 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -57.7 | -45.1 | 175.5 | -101.2 | -87.6 | 176.7 | 0 | 0 | 112.1 | K262 K263 I268 V269 C270 | K262-M266 PolarHBondContact O-N 3.4Å; K262-M266 VanDerWaalsContact O-N 3.07Å; K263-M266 WeakPolarHBondContact O-CB 3.39Å; K263-M266 PolarHBondContact O-N 3.35Å; M266-I268 PolarHBondContact O-N 3.46Å; M266-V269 PolarHBondContact O-N 2.88Å; M266-C270 PolarHBondContact O-N 3.48Å; M266-C270 PolarHBondContact O-SG 2.91Å; M266-C270 VanDerWaalsContact O-SG 3.4Å |
| 267 | I | 87.3 | Confident | 85.3 | Confident | 111 Ų | 111 | 97.8 Ų | 97.8 | 57% | 0.569 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.5 | -44.3 | 177.3 | -68 | 166.7 | 0 | 0 | 0 | 110.8 | K263 K264 L265 V269 C270 C271 | K263-I267 VanDerWaalsContact O-CG1 3.31Å; K263-I267 WeakPolarHBondContact O-CG1 3.39Å; K263-I267 PolarHBondContact O-N 3.38Å; K264-I267 PolarHBondContact O-N 3.29Å; L265-I267 VanDerWaalsContact C-N 3.35Å; L265-I267 PolarHBondContact O-N 3.05Å; I267-V269 VanDerWaalsContact C-N 3.34Å; I267-V269 PolarHBondContact O-N 3.49Å; I267-C270 PolarHBondContact O-N 3.23Å; I267-C271 WeakPolarHBondContact O-CB 3.44Å; I267-C271 PolarHBondContact O-N 3.43Å; I267-C271 PolarHBondContact O-SG 3.29Å |
| 268 | I | 89.5 | Confident | 85.8 | Confident | 88 Ų | 88 | 97.3 Ų | 97.3 | 45% | 0.451 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.2 | -46.1 | 177.5 | -68.9 | 165.4 | 0 | 0 | 0 | 110.6 | K264 L265 M266 C271 T272 | K264-I268 HydrophobicContact CG-CD1 4.18Å; K264-I268 VanDerWaalsContact O-CG1 3.29Å; K264-I268 WeakPolarHBondContact O-CG1 3.44Å; K264-I268 PolarHBondContact O-N 3.31Å; L265-I268 PolarHBondContact O-N 2.99Å; M266-I268 PolarHBondContact O-N 3.46Å; I268-C271 PolarHBondContact O-N 3.29Å; I268-T272 HydrophobicContact CG2-CG2 4.5Å; I268-T272 WeakPolarHBondContact O-CG2 3.28Å; I268-T272 PolarHBondContact O-N 3.28Å; I268-T272 PolarHBondContact O-OG1 3.04Å |
| 269 | V | 90.4 | Very high | 86.1 | Confident | 70 Ų | 70 | 98.5 Ų | 98.5 | 42% | 0.424 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.4 | -41.2 | 178 | 173.3 | 0 | 0 | 0 | 0 | 111.7 | L265 M266 I267 T272 I273 | L265-V269 WeakPolarHBondContact O-CG2 3.48Å; L265-V269 PolarHBondContact O-N 3.43Å; M266-V269 PolarHBondContact O-N 2.88Å; I267-V269 VanDerWaalsContact C-N 3.34Å; I267-V269 PolarHBondContact O-N 3.49Å; V269-T272 WeakPolarHBondContact CA-OG1 3.47Å; V269-T272 PolarHBondContact O-N 3Å; V269-T272 PolarHBondContact O-OG1 3.45Å; V269-I273 HydrophobicContact CG1-CD1 3.91Å; V269-I273 VanDerWaalsContact O-CG1 3.28Å; V269-I273 WeakPolarHBondContact O-CG1 3.43Å; V269-I273 PolarHBondContact O-N 3.13Å; V269-I273 VanDerWaalsContact O-N 3.13Å |
| 270 | C | 89.1 | Confident | 86.2 | Confident | 66 Ų | 66 | 97.4 Ų | 97.4 | 45% | 0.446 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.4 | -43.1 | 175 | -72.3 | 0 | 0 | 0 | 0 | 112 | M266 I267 I273 L274 | M266-C270 PolarHBondContact O-N 3.48Å; M266-C270 PolarHBondContact O-SG 2.91Å; M266-C270 VanDerWaalsContact O-SG 3.4Å; I267-C270 PolarHBondContact O-N 3.23Å; C270-I273 PolarHBondContact O-N 2.98Å; C270-L274 WeakPolarHBondContact O-CB 3.34Å; C270-L274 WeakPolarHBondContact O-CG 3.48Å; C270-L274 PolarHBondContact O-N 2.9Å |
| 271 | C | 88.9 | Confident | 86.4 | Confident | 76 Ų | 76 | 98 Ų | 98 | 51% | 0.514 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.8 | -39.1 | 178.3 | -71.3 | 0 | 0 | 0 | 0 | 112.5 | I267 I268 G275 | I267-C271 WeakPolarHBondContact O-CB 3.44Å; I267-C271 PolarHBondContact O-N 3.43Å; I267-C271 PolarHBondContact O-SG 3.29Å; I268-C271 PolarHBondContact O-N 3.29Å; C271-G275 PolarHBondContact O-N 3.47Å |
| 272 | T | 89.6 | Confident | 86.4 | Confident | 80 Ų | 80 | 95.6 Ų | 95.6 | 49% | 0.491 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.9 | -42.9 | 177.2 | 54.3 | 0 | 0 | 0 | 0 | 111.7 | I268 V269 G275 V276 | I268-T272 HydrophobicContact CG2-CG2 4.5Å; I268-T272 WeakPolarHBondContact O-CG2 3.28Å; I268-T272 PolarHBondContact O-N 3.28Å; I268-T272 PolarHBondContact O-OG1 3.04Å; V269-T272 WeakPolarHBondContact CA-OG1 3.47Å; V269-T272 PolarHBondContact O-N 3Å; V269-T272 PolarHBondContact O-OG1 3.45Å; T272-G275 PolarHBondContact O-N 2.9Å; T272-V276 WeakPolarHBondContact O-CG2 3.37Å; T272-V276 PolarHBondContact O-N 2.99Å |
| 273 | I | 91 | Very high | 86 | Confident | 103 Ų | 103 | 90.6 Ų | 90.6 | 53% | 0.528 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.4 | -47.1 | 176.1 | -66.4 | 166.8 | 0 | 0 | 0 | 110.7 | V269 C270 G275 V276 V277 | V269-I273 HydrophobicContact CG1-CD1 3.91Å; V269-I273 VanDerWaalsContact O-CG1 3.28Å; V269-I273 WeakPolarHBondContact O-CG1 3.43Å; V269-I273 PolarHBondContact O-N 3.13Å; V269-I273 VanDerWaalsContact O-N 3.13Å; C270-I273 PolarHBondContact O-N 2.98Å; I273-G275 VanDerWaalsContact C-N 3.32Å; I273-G275 PolarHBondContact O-N 3.26Å; I273-V276 PolarHBondContact O-N 3.44Å; I273-V277 WeakPolarHBondContact O-CG2 3.49Å; I273-V277 PolarHBondContact O-N 3.4Å |
| 274 | L | 90.4 | Very high | 85.3 | Confident | 110 Ų | 110 | 87.2 Ų | 87.2 | 58% | 0.576 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60.5 | -41.8 | 176.8 | -74.8 | 171.1 | 0 | 0 | 0 | 111.9 | C270 V276 V277 L278 | C270-L274 WeakPolarHBondContact O-CB 3.34Å; C270-L274 WeakPolarHBondContact O-CG 3.48Å; C270-L274 PolarHBondContact O-N 2.9Å; L274-V276 PolarHBondContact O-N 3.33Å; L274-V277 PolarHBondContact O-N 3.45Å; L274-L278 WeakPolarHBondContact O-CB 3.28Å; L274-L278 VanDerWaalsContact O-CG 3.3Å; L274-L278 WeakPolarHBondContact O-CG 3.46Å; L274-L278 PolarHBondContact O-N 2.79Å |
| 275 | G | 89.6 | Confident | 84.6 | Confident | 38 Ų | 38 | 90.5 Ų | 90.5 | 39% | 0.392 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -59.6 | -43 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | C271 T272 I273 L278 A279 | C271-G275 PolarHBondContact O-N 3.47Å; T272-G275 PolarHBondContact O-N 2.9Å; I273-G275 VanDerWaalsContact C-N 3.32Å; I273-G275 PolarHBondContact O-N 3.26Å; G275-L278 PolarHBondContact O-N 2.95Å; G275-A279 VanDerWaalsContact O-CB 3.28Å; G275-A279 WeakPolarHBondContact O-CB 3.42Å; G275-A279 PolarHBondContact O-N 3Å |
| 276 | V | 89.6 | Confident | 83.7 | Confident | 93 Ų | 93 | 92 Ų | 92 | 56% | 0.564 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -65.9 | -42.4 | 176.7 | 172.3 | 0 | 0 | 0 | 0 | 111.8 | T272 I273 L274 A279 S280 | T272-V276 WeakPolarHBondContact O-CG2 3.37Å; T272-V276 PolarHBondContact O-N 2.99Å; I273-V276 PolarHBondContact O-N 3.44Å; L274-V276 PolarHBondContact O-N 3.33Å; V276-A279 PolarHBondContact O-N 3.08Å; V276-S280 WeakPolarHBondContact O-CB 3.16Å; V276-S280 PolarHBondContact O-N 3.41Å; V276-S280 PolarHBondContact O-OG 3Å |
| 277 | V | 89.2 | Confident | 82.4 | Confident | 79 Ų | 79 | 88.2 Ų | 88.2 | 48% | 0.479 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.7 | -47.4 | 176.8 | 172.7 | 0 | 0 | 0 | 0 | 110.8 | I273 L274 S280 T281 | I273-V277 WeakPolarHBondContact O-CG2 3.49Å; I273-V277 PolarHBondContact O-N 3.4Å; L274-V277 PolarHBondContact O-N 3.45Å; V277-S280 PolarHBondContact O-N 3.43Å; V277-T281 WeakPolarHBondContact O-CG2 3.48Å; V277-T281 PolarHBondContact O-N 2.81Å; V277-T281 PolarHBondContact O-OG1 3.02Å |
| 278 | L | 86.8 | Confident | 80.7 | Confident | 101 Ų | 101 | 96.4 Ų | 96.4 | 53% | 0.529 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -63.7 | -41.3 | 177.6 | -71 | 172.2 | 0 | 0 | 0 | 112 | L274 G275 S280 T281 I282 | L274-L278 WeakPolarHBondContact O-CB 3.28Å; L274-L278 VanDerWaalsContact O-CG 3.3Å; L274-L278 WeakPolarHBondContact O-CG 3.46Å; L274-L278 PolarHBondContact O-N 2.79Å; G275-L278 PolarHBondContact O-N 2.95Å; L278-S280 VanDerWaalsContact C-N 3.29Å; L278-S280 PolarHBondContact O-N 3.5Å; L278-T281 WeakPolarHBondContact CA-OG1 3.24Å; L278-T281 PolarHBondContact O-N 2.91Å; L278-T281 PolarHBondContact O-OG1 3.25Å; L278-I282 VanDerWaalsContact O-CB 3.24Å; L278-I282 WeakPolarHBondContact O-CB 3.48Å; L278-I282 WeakPolarHBondContact O-CD1 3.42Å; L278-I282 WeakPolarHBondContact O-CG1 3.3Å; L278-I282 PolarHBondContact O-N 3.43Å |
| 279 | A | 83.4 | Confident | 80.2 | Confident | 65 Ų | 65 | 96.8 Ų | 96.8 | 54% | 0.537 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -63.5 | -36.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | G275 V276 G283 | G275-A279 VanDerWaalsContact O-CB 3.28Å; G275-A279 WeakPolarHBondContact O-CB 3.42Å; G275-A279 PolarHBondContact O-N 3Å; V276-A279 PolarHBondContact O-N 3.08Å; A279-G283 WeakPolarHBondContact O-CA 3.38Å; A279-G283 PolarHBondContact O-N 2.95Å |
| 280 | S | 80.9 | Confident | 79.7 | Confident | 79 Ų | 79 | 98.2 Ų | 98.2 | 55% | 0.552 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -72.2 | -39.1 | 178.6 | -56.4 | 0 | 0 | 0 | 0 | 112.1 | V276 V277 L278 G284 | V276-S280 WeakPolarHBondContact O-CB 3.16Å; V276-S280 PolarHBondContact O-N 3.41Å; V276-S280 PolarHBondContact O-OG 3Å; V277-S280 PolarHBondContact O-N 3.43Å; L278-S280 VanDerWaalsContact C-N 3.29Å; L278-S280 PolarHBondContact O-N 3.5Å; S280-G284 PolarHBondContact O-N 2.74Å |
| 281 | T | 81.4 | Confident | 79.2 | Confident | 72 Ų | 72 | 100 Ų | 100 | 44% | 0.442 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -72.4 | -39.7 | 176.6 | 55.3 | 0 | 0 | 0 | 0 | 111.9 | V277 L278 G284 Y285 | V277-T281 WeakPolarHBondContact O-CG2 3.48Å; V277-T281 PolarHBondContact O-N 2.81Å; V277-T281 PolarHBondContact O-OG1 3.02Å; L278-T281 WeakPolarHBondContact CA-OG1 3.24Å; L278-T281 PolarHBondContact O-N 2.91Å; L278-T281 PolarHBondContact O-OG1 3.25Å; T281-G284 PolarHBondContact O-N 3.22Å; T281-Y285 WeakPolarHBondContact O-CB 3.38Å; T281-Y285 PolarHBondContact O-N 2.91Å; T281-Y285 VanDerWaalsContact O-N 3.08Å |
| 282 | I | 79.5 | Confident | 78.6 | Confident | 90 Ų | 90 | 101.4 Ų | 101.4 | 46% | 0.462 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -69.5 | -42.1 | 175.6 | -67.3 | 169.3 | 0 | 0 | 0 | 110.4 | L278 G284 Y285 L286 | L278-I282 VanDerWaalsContact O-CB 3.24Å; L278-I282 WeakPolarHBondContact O-CB 3.48Å; L278-I282 WeakPolarHBondContact O-CD1 3.42Å; L278-I282 WeakPolarHBondContact O-CG1 3.3Å; L278-I282 PolarHBondContact O-N 3.43Å; I282-G284 VanDerWaalsContact C-N 3.29Å; I282-G284 PolarHBondContact O-N 2.93Å; I282-Y285 CarbonylContact O-C 3.58Å; I282-Y285 PolarHBondContact O-N 3.34Å; I282-L286 HydrophobicContact CG2-CB 4.44Å; I282-L286 HydrophobicContact CG2-CD1 3.73Å; I282-L286 WeakPolarHBondContact O-CB 3.44Å; I282-L286 PolarHBondContact O-N 2.97Å |
| 283 | G | 73.1 | Confident | 77.9 | Confident | 49 Ų | 49 | 102.8 Ų | 102.8 | 51% | 0.505 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -61.4 | -36.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | A279 Y285 | A279-G283 WeakPolarHBondContact O-CA 3.38Å; A279-G283 PolarHBondContact O-N 2.95Å; G283-Y285 VanDerWaalsContact C-N 3.31Å; G283-Y285 PolarHBondContact O-N 3.43Å |
| 284 | G | 68.6 | Low | 77.1 | Confident | 68 Ų | 68 | 102.7 Ų | 102.7 | 70% | 0.701 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -70.2 | -22.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | S280 T281 I282 | S280-G284 PolarHBondContact O-N 2.74Å; T281-G284 PolarHBondContact O-N 3.22Å; I282-G284 VanDerWaalsContact C-N 3.29Å; I282-G284 PolarHBondContact O-N 2.93Å |
| 285 | Y | 68.6 | Low | 76.1 | Confident | 213 Ų | 213 | 102.2 Ų | 102.2 | 84% | 0.835 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -99.3 | -32.8 | -176.9 | -106.2 | -89.6 | 0 | 0 | 0 | 114.7 | T281 I282 G283 | T281-Y285 WeakPolarHBondContact O-CB 3.38Å; T281-Y285 PolarHBondContact O-N 2.91Å; T281-Y285 VanDerWaalsContact O-N 3.08Å; I282-Y285 CarbonylContact O-C 3.58Å; I282-Y285 PolarHBondContact O-N 3.34Å; G283-Y285 VanDerWaalsContact C-N 3.31Å; G283-Y285 PolarHBondContact O-N 3.43Å |
| 286 | L | 64.8 | Low | 75.1 | Confident | 148 Ų | 148 | 107.2 Ų | 107.2 | 78% | 0.775 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -106.3 | 3.7 | -168.9 | -96.7 | 149.3 | 0 | 0 | 0 | 115.4 | I282 | I282-L286 HydrophobicContact CG2-CB 4.44Å; I282-L286 HydrophobicContact CG2-CD1 3.73Å; I282-L286 WeakPolarHBondContact O-CB 3.44Å; I282-L286 PolarHBondContact O-N 2.97Å |
| 287 | G | 58.8 | Low | 73.8 | Confident | 53 Ų | 53 | 108.3 Ų | 108.3 | 55% | 0.546 | 63% | 0.634 | S | S | . | * | trans | 111.3 | 125.8 | 154.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 288 | F | 51.1 | Low | 72.4 | Confident | 283 Ų | 283 | 111 Ų | 111 | 100% | 1.241 | 65% | 0.648 | S | S | * | * | -176.2 | 0 | 108.4 | -115.9 | -87.1 | 0 | 0 | 0 | 109.3 |
Retrieved 288 of 288 residues in 91.6 ms
(Link to these results)