| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 41.7 | Very low | 45.9 | Very low | 249 Ų | 249 | 155.4 Ų | 155.4 | 100% | 1.227 | 79% | 0.789 | S | S | * | * | 0 | 127.9 | 0 | -73.2 | -67.4 | -179.4 | 0 | 0 | 106.5 | |||||
| 2 | D | 42 | Very low | 45.8 | Very low | 147 Ų | 147 | 149 Ų | 149 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | trans | -86.4 | -178 | -151.4 | -154.2 | -84.4 | 0 | 0 | 0 | 114.1 | ||||
| 3 | T | 43.7 | Very low | 45.7 | Very low | 129 Ų | 129 | 147.2 Ų | 147.2 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | trans | 83.2 | 119.7 | 166.1 | 72.9 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 4 | G | 43.2 | Very low | 45.8 | Very low | 64 Ų | 64 | 146.1 Ų | 146.1 | 66% | 0.66 | 78% | 0.783 | S | S | * | * | cis | 124.6 | 119.1 | 17.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 5 | Y | 49.1 | Very low | 45.8 | Very low | 237 Ų | 237 | 144.1 Ų | 144.1 | 93% | 0.929 | 79% | 0.785 | S | S | * | * | trans | -169.3 | 106.5 | 146.7 | -104.4 | -72.7 | 0 | 0 | 0 | 110.4 | ||||
| 6 | L | 50.1 | Low | 45.7 | Very low | 140 Ų | 140 | 144.9 Ų | 144.9 | 73% | 0.733 | 79% | 0.787 | S | S | * | * | trans | -69.6 | 119.8 | 168.4 | -178.2 | 77.6 | 0 | 0 | 0 | 108.9 | E8 | L6-E8 HydrophobicContact CD2-CB 4.46Å; L6-E8 HydrophobicContact CG-CB 4.36Å | ||
| 7 | V | 58.3 | Low | 45.6 | Very low | 136 Ų | 136 | 141.1 Ų | 141.1 | 82% | 0.824 | 77% | 0.774 | S | S | * | * | trans | -107.5 | 90.7 | 159.1 | -176.6 | 0 | 0 | 0 | 0 | 107.9 | K9 | V7-K9 PolarHBondContact O-N 2.91Š| ||
| 8 | E | 45.9 | Very low | 45.6 | Very low | 121 Ų | 121 | 145.2 Ų | 145.2 | 57% | 0.565 | 78% | 0.776 | S | S | * | * | trans | -62 | 104 | 170.1 | -160.4 | -179.3 | 132.4 | 0 | 0 | 109.1 | L6 Q10 | L6-E8 HydrophobicContact CD2-CB 4.46Å; L6-E8 HydrophobicContact CG-CB 4.36Å; E8-Q10 VanDerWaalsContact C-N 3.32Å; E8-Q10 HydrophobicContact CG-CG 4.34Å; E8-Q10 PolarHBondContact O-N 3.13Å; E8-Q10 VanDerWaalsContact O-N 3.13Å; E8-Q10 PolarHBondContact OE1-NE2 3.45Å | ||
| 9 | K | 49.6 | Very low | 45.4 | Very low | 174 Ų | 174 | 146.6 Ų | 146.6 | 76% | 0.757 | 78% | 0.779 | S | S | * | * | trans | -86.1 | 83.8 | 172.5 | -140.2 | 173 | -173.8 | 178.2 | 0 | 108.8 | V7 F11 | V7-K9 PolarHBondContact O-N 2.91Å; K9-F11 HydrophobicContact CD-CE2 4.09Å; K9-F11 HydrophobicContact CG-CE2 4.14Å; K9-F11 PolarHBondContact O-N 3.08Å; K9-F11 VanDerWaalsContact O-N 3.14Å | ||
| 10 | Q | 39.1 | Very low | 45 | Very low | 139 Ų | 139 | 144.8 Ų | 144.8 | 65% | 0.65 | 77% | 0.77 | S | S | * | * | trans | -57.6 | 103.8 | 165.8 | -71.4 | -78 | 13.3 | 0 | 0 | 109.7 | E8 | E8-Q10 VanDerWaalsContact C-N 3.32Å; E8-Q10 HydrophobicContact CG-CG 4.34Å; E8-Q10 PolarHBondContact O-N 3.13Å; E8-Q10 VanDerWaalsContact O-N 3.13Å; E8-Q10 PolarHBondContact OE1-NE2 3.45Å | ||
| 11 | F | 42.7 | Very low | 45.2 | Very low | 173 Ų | 173 | 142.2 Ų | 142.2 | 76% | 0.759 | 76% | 0.763 | S | S | * | * | trans | -99.4 | 102.5 | 153.4 | -78.2 | -79.6 | 0 | 0 | 0 | 106.8 | K9 | K9-F11 HydrophobicContact CD-CE2 4.09Å; K9-F11 HydrophobicContact CG-CE2 4.14Å; K9-F11 PolarHBondContact O-N 3.08Å; K9-F11 VanDerWaalsContact O-N 3.14Å | ||
| 12 | A | 44.1 | Very low | 45.3 | Very low | 79 Ų | 79 | 138.9 Ų | 138.9 | 65% | 0.653 | 75% | 0.75 | S | S | * | * | trans | -54.5 | 139 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | T14 | A12-T14 PolarHBondContact O-N 3.34Š| ||
| 13 | P | 44.4 | Very low | 45.3 | Very low | 125 Ų | 125 | 137 Ų | 137 | 81% | 0.812 | 74% | 0.739 | S | S | * | * | trans | -70 | 116.8 | 172.7 | 28.1 | -31.9 | 0 | 0 | 0 | 109.2 | S15 | P13-S15 PolarHBondContact O-N 3.04Š| ||
| 14 | T | 47.1 | Very low | 45.3 | Very low | 133 Ų | 133 | 134.2 Ų | 134.2 | 82% | 0.816 | 74% | 0.737 | S | S | * | * | trans | -63.7 | 105.2 | 167.8 | -45.2 | 0 | 0 | 0 | 0 | 108.1 | A12 L16 | A12-T14 PolarHBondContact O-N 3.34Å; T14-L16 PolarHBondContact O-N 3.13Å | ||
| 15 | S | 45.6 | Very low | 45.3 | Very low | 116 Ų | 116 | 135.6 Ų | 135.6 | 81% | 0.811 | 74% | 0.737 | S | S | * | * | trans | -59.2 | 98 | 171.9 | -162.9 | 0 | 0 | 0 | 0 | 109.2 | P13 | P13-S15 PolarHBondContact O-N 3.04Š| ||
| 16 | L | 44.3 | Very low | 45 | Very low | 157 Ų | 157 | 130.1 Ų | 130.1 | 82% | 0.822 | 72% | 0.719 | S | S | * | * | trans | -93.9 | 108.5 | 160.8 | -136.9 | 95.8 | 0 | 0 | 0 | 107 | T14 R18 | T14-L16 PolarHBondContact O-N 3.13Å; L16-R18 PolarHBondContact O-N 2.98Å; L16-R18 VanDerWaalsContact O-N 3.13Å | ||
| 17 | S | 44 | Very low | 44.9 | Very low | 80 Ų | 80 | 129.9 Ų | 129.9 | 56% | 0.559 | 72% | 0.719 | S | S | * | * | trans | -31.3 | 109.5 | 172.9 | 51 | 0 | 0 | 0 | 0 | 114 | M19 | S17-M19 PolarHBondContact O-N 2.95Š| ||
| 18 | R | 45.3 | Very low | 44.7 | Very low | 215 Ų | 215 | 134 Ų | 134 | 81% | 0.811 | 72% | 0.72 | S | S | * | * | 3.4 | 91.8 | 127.3 | -169.5 | 176.6 | -167.6 | 154.2 | 2.7 | 113.2 | L16 D20 | L16-R18 PolarHBondContact O-N 2.98Å; L16-R18 VanDerWaalsContact O-N 3.13Å; R18-D20 IonicContact NE-OD1 3.31Å | |||
| 19 | M | 43.3 | Very low | 45 | Very low | 171 Ų | 171 | 135.2 Ų | 135.2 | 84% | 0.842 | 72% | 0.723 | S | S | * | * | trans | -87.3 | 99.4 | 153.3 | -73.6 | -72.9 | 149.2 | 0 | 0 | 105.8 | S17 S21 | S17-M19 PolarHBondContact O-N 2.95Å; M19-S21 PolarHBondContact O-N 2.75Å | ||
| 20 | D | 37.8 | Very low | 45.2 | Very low | 111 Ų | 111 | 131.4 Ų | 131.4 | 59% | 0.594 | 71% | 0.711 | S | S | * | * | trans | -62.7 | 119.3 | 170.3 | -158.4 | 97.6 | 0 | 0 | 0 | 109 | R18 | R18-D20 IonicContact NE-OD1 3.31Š| ||
| 21 | S | 48.1 | Very low | 46.3 | Very low | 90 Ų | 90 | 128.5 Ų | 128.5 | 63% | 0.629 | 70% | 0.696 | S | S | * | * | trans | 22.2 | 110.1 | 144 | -41.5 | 0 | 0 | 0 | 0 | 118.5 | M19 | M19-S21 PolarHBondContact O-N 2.75Š| ||
| 22 | L | 44.1 | Very low | 47.7 | Very low | 180 Ų | 180 | 123.6 Ų | 123.6 | 94% | 0.942 | 68% | 0.68 | S | S | * | * | trans | -133.9 | 98.9 | 138.8 | -81.2 | 172.7 | 0 | 0 | 0 | 109.8 | ||||
| 23 | D | 41.4 | Very low | 48.8 | Very low | 106 Ų | 106 | 120 Ų | 120 | 57% | 0.567 | 65% | 0.651 | S | S | * | * | trans | 70.9 | 71.2 | 149.6 | -156.2 | 16.7 | 0 | 0 | 0 | 120.9 | S25 Q26 | D23-S25 PolarHBondContact OD1-N 2.93Å; D23-S25 VanDerWaalsContact OD1-N 3.13Å; D23-Q26 VanDerWaalsContact OD1-CG 3.29Å; D23-Q26 WeakPolarHBondContact OD1-CG 3.05Å; D23-Q26 PolarHBondContact OD1-N 3.33Å; D23-Q26 WeakPolarHBondContact OD2-CB 3.49Å; D23-Q26 WeakPolarHBondContact OD2-CG 3.29Å | ||
| 24 | G | 43.9 | Very low | 49.9 | Very low | 72 Ų | 72 | 116 Ų | 116 | 74% | 0.742 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -93.9 | 9.4 | 154.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 25 | S | 42.5 | Very low | 51 | Low | 93 Ų | 93 | 113.4 Ų | 113.4 | 65% | 0.65 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -112.8 | -13.4 | -167.9 | -103.3 | 0 | 0 | 0 | 0 | 115.2 | D23 N27 | D23-S25 PolarHBondContact OD1-N 2.93Å; D23-S25 VanDerWaalsContact OD1-N 3.13Å; S25-N27 VanDerWaalsContact C-N 3.3Å |
| 26 | Q | 43.9 | Very low | 51.9 | Low | 122 Ų | 122 | 108.1 Ų | 108.1 | 57% | 0.57 | 57% | 0.566 | S | S | * | * | G | 310 helix | trans | -74.7 | -20.1 | 169.2 | -64.9 | -65.1 | -18 | 0 | 0 | 112.9 | D23 R28 K29 | D23-Q26 VanDerWaalsContact OD1-CG 3.29Å; D23-Q26 WeakPolarHBondContact OD1-CG 3.05Å; D23-Q26 PolarHBondContact OD1-N 3.33Å; D23-Q26 WeakPolarHBondContact OD2-CB 3.49Å; D23-Q26 WeakPolarHBondContact OD2-CG 3.29Å; Q26-R28 PolarHBondContact O-N 3.1Å; Q26-R28 VanDerWaalsContact O-N 3.08Å; Q26-K29 PolarHBondContact O-N 3.2Å |
| 27 | N | 48.1 | Very low | 53 | Low | 135 Ų | 135 | 102 Ų | 102 | 72% | 0.722 | 53% | 0.534 | S | S | * | . | G | 310 helix | trans | -73.2 | -4 | -171.2 | -160.8 | 44.1 | 0 | 0 | 0 | 115.5 | S25 | S25-N27 VanDerWaalsContact C-N 3.3Š|
| 28 | R | 54.1 | Low | 53.9 | Low | 222 Ų | 222 | 102.8 Ų | 102.8 | 84% | 0.838 | 53% | 0.532 | S | S | * | . | G | 310 helix | trans | -99.8 | -17.8 | -178.5 | -69.1 | -75.5 | -163.6 | 175.9 | 3.9 | 113.9 | Q26 | Q26-R28 PolarHBondContact O-N 3.1Å; Q26-R28 VanDerWaalsContact O-N 3.08Å |
| 29 | K | 51.9 | Low | 54.3 | Low | 147 Ų | 147 | 97.4 Ų | 97.4 | 64% | 0.639 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -16.4 | -162.1 | -62.8 | -175.9 | -174.8 | 173.3 | 0 | 114.2 | Q26 | Q26-K29 PolarHBondContact O-N 3.2Š|
| 30 | N | 52.8 | Low | 54.5 | Low | 94 Ų | 94 | 96 Ų | 96 | 50% | 0.503 | 51% | 0.51 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -146.2 | 54.7 | 176.3 | -62.1 | -61.5 | 0 | 0 | 0 | 112.2 | T32 H35 | N30-T32 PolarHBondContact O-N 2.67Å; N30-H35 HydrophobicContact CB-CB 3.99Å; N30-H35 WeakPolarHBondContact O-CB 3.37Å; N30-H35 PolarHBondContact O-CD2 3.14Å |
| 31 | F | 63.9 | Low | 55 | Low | 78 Ų | 78 | 99.5 Ų | 99.5 | 34% | 0.342 | 52% | 0.523 | S | S | . | . | trans | -75.5 | 44.1 | 168.6 | -158.2 | -102.5 | 0 | 0 | 0 | 111.4 | L36 T117 V124 | F31-L36 HydrophobicContact CD2-CD1 4.21Å; F31-L36 HydrophobicContact CE2-CD1 4.04Å; F31-L36 HydrophobicContact CE2-CD2 4.39Å; F31-L36 HydrophobicContact CZ-CD2 4.33Å; F31-T117 HydrophobicContact CE1-CG2 4.17Å; F31-T117 HydrophobicContact CE2-CG2 4.4Å; F31-T117 HydrophobicContact CZ-CG2 3.47Å; F31-T117 VanDerWaalsContact CZ-CG2 3.47Å; F31-V124 HydrophobicContact CD1-CG2 3.94Å; F31-V124 HydrophobicContact CE1-CB 4.49Å; F31-V124 HydrophobicContact CE1-CG1 3.97Å; F31-V124 HydrophobicContact CE1-CG2 3.82Å | ||
| 32 | T | 71.2 | Confident | 54.9 | Low | 69 Ų | 69 | 102.1 Ų | 102.1 | 42% | 0.423 | 54% | 0.535 | S | S | . | . | trans | -89.3 | 142.2 | 173 | 66.1 | 0 | 0 | 0 | 0 | 108.1 | N30 S34 H35 L36 | N30-T32 PolarHBondContact O-N 2.67Å; T32-S34 PolarHBondContact O-N 2.73Å; T32-S34 VanDerWaalsContact O-N 3.13Å; T32-H35 PolarHBondContact O-N 2.85Å; T32-H35 VanDerWaalsContact O-N 3.1Å; T32-H35 WeakPolarHBondContact OG1-CB 3.41Å; T32-H35 PolarHBondContact OG1-N 3.26Å; T32-L36 PolarHBondContact O-N 3.13Å | ||
| 33 | V | 66.5 | Low | 54.9 | Low | 5 Ų | 5 | 99.7 Ų | 99.7 | 3% | 0.03 | 53% | 0.533 | C | S | . | . | H | α-helix | trans | -59.4 | -25.3 | 175.6 | -177.6 | 0 | 0 | 0 | 0 | 110.9 | L36 L37 V124 E127 L128 | V33-L36 PolarHBondContact O-N 3.25Å; V33-L37 HydrophobicContact CG1-CD1 3.69Å; V33-L37 HydrophobicContact CG1-CG 4.28Å; V33-L37 WeakPolarHBondContact O-CB 3.41Å; V33-L37 WeakPolarHBondContact O-CG 3.49Å; V33-L37 PolarHBondContact O-N 2.81Å; V33-L37 VanDerWaalsContact O-N 3.11Å; V33-V124 HydrophobicContact CG2-CB 4.42Å; V33-V124 HydrophobicContact CG2-CG1 3.74Å; V33-V124 WeakPolarHBondContact CG2-O 3.2Å; V33-E127 HydrophobicContact CB-CB 4.28Å; V33-E127 HydrophobicContact CB-CG 3.64Å; V33-E127 HydrophobicContact CG1-CG 4.22Å; V33-E127 HydrophobicContact CG2-CB 3.91Å; V33-E127 HydrophobicContact CG2-CG 3.84Å; V33-L128 HydrophobicContact CG1-CB 4.16Å; V33-L128 HydrophobicContact CG1-CD1 4Å |
| 34 | S | 68.9 | Low | 54.8 | Low | 39 Ų | 39 | 98.1 Ų | 98.1 | 27% | 0.273 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -59.5 | -59.6 | 169 | -136.9 | 0 | 0 | 0 | 0 | 112.4 | T32 L36 L37 D38 R131 | T32-S34 PolarHBondContact O-N 2.73Å; T32-S34 VanDerWaalsContact O-N 3.13Å; S34-L36 PolarHBondContact O-N 2.79Å; S34-L36 VanDerWaalsContact O-N 3.1Å; S34-L37 PolarHBondContact O-N 2.97Å; S34-D38 WeakPolarHBondContact CB-OD2 3.33Å; S34-D38 WeakPolarHBondContact O-CB 3.42Å; S34-D38 PolarHBondContact O-N 3.1Å; S34-D38 VanDerWaalsContact O-OD2 3.13Å; S34-D38 PolarHBondContact OG-OD2 3.05Å; S34-R131 VanDerWaalsContact CA-CZ 3.44Å; S34-R131 VanDerWaalsContact CA-NH1 3.34Å; S34-R131 PolarHBondContact OG-NH2 3.13Å |
| 35 | H | 68.9 | Low | 54.9 | Low | 79 Ų | 79 | 103.5 Ų | 103.5 | 37% | 0.366 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -60 | -30.3 | 179.5 | -172.2 | 64.3 | 0 | 0 | 0 | 112.6 | N30 T32 L39 | N30-H35 HydrophobicContact CB-CB 3.99Å; N30-H35 WeakPolarHBondContact O-CB 3.37Å; N30-H35 PolarHBondContact O-CD2 3.14Å; T32-H35 PolarHBondContact O-N 2.85Å; T32-H35 VanDerWaalsContact O-N 3.1Å; T32-H35 WeakPolarHBondContact OG1-CB 3.41Å; T32-H35 PolarHBondContact OG1-N 3.26Å; H35-L39 WeakPolarHBondContact O-CD1 3.43Å; H35-L39 WeakPolarHBondContact O-CG 3.45Å |
| 36 | L | 66.1 | Low | 54.8 | Low | 5 Ų | 5 | 107.4 Ų | 107.4 | 3% | 0.026 | 56% | 0.564 | C | S | . | * | H | α-helix | trans | -67 | -34.1 | 175.3 | -115.7 | 67.4 | 0 | 0 | 0 | 114.3 | F31 T32 V33 S34 V113 R116 | F31-L36 HydrophobicContact CD2-CD1 4.21Å; F31-L36 HydrophobicContact CE2-CD1 4.04Å; F31-L36 HydrophobicContact CE2-CD2 4.39Å; F31-L36 HydrophobicContact CZ-CD2 4.33Å; T32-L36 PolarHBondContact O-N 3.13Å; V33-L36 PolarHBondContact O-N 3.25Å; S34-L36 PolarHBondContact O-N 2.79Å; S34-L36 VanDerWaalsContact O-N 3.1Å; L36-V113 HydrophobicContact CD2-CB 3.94Å; L36-V113 HydrophobicContact CD2-CG1 3.8Å; L36-V113 HydrophobicContact CD2-CG2 3.72Å; L36-R116 PolarHBondContact O-NH1 3.11Å |
| 37 | L | 66.3 | Low | 54.5 | Low | 28 Ų | 28 | 105 Ų | 105 | 15% | 0.147 | 57% | 0.571 | C | S | . | * | H | α-helix | trans | -102.4 | -19 | -175.6 | -64.6 | 174 | 0 | 0 | 0 | 113.2 | V33 S34 A109 L128 R131 | V33-L37 HydrophobicContact CG1-CD1 3.69Å; V33-L37 HydrophobicContact CG1-CG 4.28Å; V33-L37 WeakPolarHBondContact O-CB 3.41Å; V33-L37 WeakPolarHBondContact O-CG 3.49Å; V33-L37 PolarHBondContact O-N 2.81Å; V33-L37 VanDerWaalsContact O-N 3.11Å; S34-L37 PolarHBondContact O-N 2.97Å; L37-A109 HydrophobicContact CD2-CB 3.85Å; L37-L128 HydrophobicContact CD1-CD1 4.22Å; L37-R131 HydrophobicContact CD1-CB 4.42Å; L37-R131 VanDerWaalsContact CD1-CD 3.41Å |
| 38 | D | 62.3 | Low | 54.1 | Low | 97 Ų | 97 | 105.7 Ų | 105.7 | 52% | 0.519 | 58% | 0.58 | S | S | . | * | S | Bend | trans | -89.3 | -4 | -175.9 | -62.2 | -13 | 0 | 0 | 0 | 113.2 | S34 E40 R131 | S34-D38 WeakPolarHBondContact CB-OD2 3.33Å; S34-D38 WeakPolarHBondContact O-CB 3.42Å; S34-D38 PolarHBondContact O-N 3.1Å; S34-D38 VanDerWaalsContact O-OD2 3.13Å; S34-D38 PolarHBondContact OG-OD2 3.05Å; D38-E40 PolarHBondContact O-N 3.11Å; D38-R131 IonicContact OD1-NH1 2.95Å |
| 39 | L | 54.3 | Low | 53.7 | Low | 103 Ų | 103 | 104 Ų | 104 | 54% | 0.539 | 58% | 0.579 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.1 | 22.6 | -180 | -84.2 | 167.1 | 0 | 0 | 0 | 114.7 | H35 | H35-L39 WeakPolarHBondContact O-CD1 3.43Å; H35-L39 WeakPolarHBondContact O-CG 3.45Å |
| 40 | E | 47.3 | Very low | 52.9 | Low | 141 Ų | 141 | 105.5 Ų | 105.5 | 66% | 0.659 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104 | 12.9 | 178.6 | -103.9 | -176.7 | 139.5 | 0 | 0 | 115.3 | D38 R112 | D38-E40 PolarHBondContact O-N 3.11Å; E40-R112 IonicContact OE2-CZ 3.37Å; E40-R112 IonicContact OE2-NE 3.58Å; E40-R112 IonicContact OE2-NH2 2.78Å; E40-R112 PolarHBondContact OE2-NH2 2.9Å |
| 41 | E | 47.6 | Very low | 52.7 | Low | 184 Ų | 184 | 106.6 Ų | 106.6 | 86% | 0.86 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -107.1 | 1.3 | 178.1 | -77 | -140.4 | 144.9 | 0 | 0 | 117.6 | ||
| 42 | V | 47.2 | Very low | 51.3 | Low | 146 Ų | 146 | 106.4 Ų | 106.4 | 89% | 0.885 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -136 | 32.5 | -175 | -142.2 | 0 | 0 | 0 | 0 | 117 | ||
| 43 | S | 43 | Very low | 49.5 | Very low | 129 Ų | 129 | 114.9 Ų | 114.9 | 90% | 0.902 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -128.9 | 37.9 | 171.4 | -168.5 | 0 | 0 | 0 | 0 | 114.1 | ||
| 44 | G | 40.3 | Very low | 48 | Very low | 72 Ų | 72 | 119.2 Ų | 119.2 | 74% | 0.742 | 68% | 0.675 | S | S | * | * | trans | -134.6 | 15.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 45 | M | 46.2 | Very low | 46.6 | Very low | 186 Ų | 186 | 124 Ų | 124 | 92% | 0.916 | 70% | 0.696 | S | S | * | * | trans | -130 | 84.6 | -177.8 | -62 | 174.2 | 91.8 | 0 | 0 | 112 | ||||
| 46 | N | 39.6 | Very low | 45.1 | Very low | 175 Ų | 175 | 131.5 Ų | 131.5 | 94% | 0.936 | 72% | 0.721 | S | S | * | * | trans | -141.2 | 105.3 | 153.2 | -102 | -29.7 | 0 | 0 | 0 | 107.5 | ||||
| 47 | G | 38.3 | Very low | 43.7 | Very low | 70 Ų | 70 | 140.5 Ų | 140.5 | 72% | 0.722 | 76% | 0.763 | S | S | * | * | S | Bend | trans | 154.2 | 90.2 | 169 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 48 | V | 39.6 | Very low | 42.3 | Very low | 151 Ų | 151 | 144.1 Ų | 144.1 | 92% | 0.915 | 80% | 0.797 | S | S | * | * | trans | 91.4 | 124.4 | 147.3 | -164.2 | 0 | 0 | 0 | 0 | 118 | ||||
| 49 | K | 44.5 | Very low | 41.1 | Very low | 187 Ų | 187 | 142.5 Ų | 142.5 | 81% | 0.813 | 80% | 0.803 | S | S | * | * | trans | -76.3 | 148.2 | 177.1 | -56.5 | 169.1 | 177.2 | 178.9 | 0 | 110.5 | ||||
| 50 | E | 35.5 | Very low | 40.4 | Very low | 178 Ų | 178 | 148.1 Ų | 148.1 | 83% | 0.832 | 82% | 0.823 | S | S | * | * | trans | -176.7 | 136.3 | 135.1 | -94.6 | -46 | 115.3 | 0 | 0 | 109.8 | ||||
| 51 | P | 49.3 | Very low | 39.8 | Very low | 117 Ų | 117 | 144.5 Ų | 144.5 | 76% | 0.76 | 82% | 0.824 | S | S | * | * | trans | -108.2 | 132.8 | 173.3 | 35.3 | -23.4 | 0 | 0 | 0 | 112.3 | ||||
| 52 | G | 34.1 | Very low | 39.5 | Very low | 73 Ų | 73 | 143.5 Ų | 143.5 | 75% | 0.753 | 82% | 0.824 | S | S | * | * | trans | 170.1 | 104.1 | 167.6 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 53 | R | 34.8 | Very low | 39 | Very low | 247 Ų | 247 | 143.3 Ų | 143.3 | 93% | 0.932 | 81% | 0.813 | S | S | * | * | trans | 69 | 106.5 | 144.3 | -70.6 | -172.9 | 176 | -139.4 | 0 | 122.3 | ||||
| 54 | S | 34.4 | Very low | 38.6 | Very low | 97 Ų | 97 | 144.3 Ų | 144.3 | 68% | 0.678 | 80% | 0.804 | S | S | * | * | 70.6 | 120.9 | 106.9 | -154.3 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 55 | I | 38.1 | Very low | 38.5 | Very low | 138 Ų | 138 | 149.4 Ų | 149.4 | 71% | 0.708 | 81% | 0.808 | S | S | * | * | trans | 74.6 | 122.2 | 140.3 | -72.9 | 174.4 | 0 | 0 | 0 | 115.1 | ||||
| 56 | R | 37.8 | Very low | 38.3 | Very low | 237 Ų | 237 | 146.1 Ų | 146.1 | 89% | 0.894 | 80% | 0.803 | S | S | * | * | -161.5 | 154.3 | 70.5 | -68.3 | 169.9 | -165.4 | -129.5 | -3.7 | 113.8 | |||||
| 57 | E | 38 | Very low | 38.1 | Very low | 194 Ų | 194 | 141.5 Ų | 141.5 | 91% | 0.907 | 80% | 0.797 | S | S | * | * | trans | -64.2 | 154 | 174.7 | -65 | 160.3 | 81.1 | 0 | 0 | 116.2 | ||||
| 58 | A | 36.9 | Very low | 38.2 | Very low | 104 Ų | 104 | 145.1 Ų | 145.1 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | 163.8 | 127.9 | 127.4 | 0 | 0 | 0 | 0 | 0 | 106.6 | |||||
| 59 | G | 36.4 | Very low | 38.4 | Very low | 64 Ų | 64 | 143.1 Ų | 143.1 | 66% | 0.66 | 80% | 0.797 | S | S | * | * | cis | 134.6 | 131.9 | 19 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 60 | K | 39.3 | Very low | 38.8 | Very low | 221 Ų | 221 | 140 Ų | 140 | 96% | 0.961 | 80% | 0.8 | S | S | * | * | trans | 79.5 | 131.6 | 160.2 | -49 | 172.3 | -177.9 | -174.8 | 0 | 116.1 | ||||
| 61 | G | 34.3 | Very low | 38.9 | Very low | 65 Ų | 65 | 134.9 Ų | 134.9 | 67% | 0.67 | 79% | 0.794 | S | S | * | * | cis | 167.3 | 166.3 | 1.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 62 | L | 41.9 | Very low | 38.7 | Very low | 163 Ų | 163 | 133.9 Ų | 133.9 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | trans | 58.4 | 143.6 | 149.5 | -91.5 | 69.7 | 0 | 0 | 0 | 118.2 | ||||
| 63 | Q | 37.3 | Very low | 38.9 | Very low | 142 Ų | 142 | 138.3 Ų | 138.3 | 66% | 0.664 | 79% | 0.791 | S | S | * | * | cis | -167.4 | 152.5 | 4.7 | 178.9 | 153.5 | 24.2 | 0 | 0 | 107.9 | ||||
| 64 | E | 34.7 | Very low | 39.3 | Very low | 150 Ų | 150 | 131.3 Ų | 131.3 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | trans | -29.1 | 156.8 | 166.3 | -57 | 179.1 | 88.7 | 0 | 0 | 118.2 | ||||
| 65 | Q | 37.3 | Very low | 39.8 | Very low | 179 Ų | 179 | 131.2 Ų | 131.2 | 84% | 0.836 | 79% | 0.791 | S | S | * | * | -173 | 130.9 | 104.5 | -96.7 | 163.2 | 82.2 | 0 | 0 | 113.2 | |||||
| 66 | S | 41.4 | Very low | 40.3 | Very low | 117 Ų | 117 | 132.8 Ų | 132.8 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -67.4 | 149.7 | 160.3 | 62.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 67 | G | 35.9 | Very low | 40.9 | Very low | 78 Ų | 78 | 130.4 Ų | 130.4 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | -161.5 | 104.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 68 | V | 40.3 | Very low | 41.2 | Very low | 146 Ų | 146 | 128.7 Ų | 128.7 | 89% | 0.885 | 80% | 0.796 | S | S | * | * | trans | -61.1 | 173 | 176 | -70 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 69 | S | 43.3 | Very low | 41.8 | Very low | 108 Ų | 108 | 129.4 Ų | 129.4 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | trans | 113.2 | 99.6 | 153.4 | -146.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 70 | S | 52.8 | Low | 42.4 | Very low | 123 Ų | 123 | 132.6 Ų | 132.6 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | 53.4 | 112.6 | 55.1 | -159.3 | 0 | 0 | 0 | 0 | 113 | |||||
| 71 | G | 38.6 | Very low | 42.5 | Very low | 70 Ų | 70 | 127.4 Ų | 127.4 | 72% | 0.722 | 78% | 0.784 | S | S | * | * | trans | 162.8 | 89.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 72 | S | 44.9 | Very low | 43.1 | Very low | 96 Ų | 96 | 132.2 Ų | 132.2 | 67% | 0.671 | 79% | 0.793 | S | S | * | * | trans | -50.1 | 164.3 | 146.6 | 44.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 73 | E | 38.9 | Very low | 43 | Very low | 165 Ų | 165 | 129.7 Ų | 129.7 | 77% | 0.771 | 79% | 0.789 | S | S | * | * | cis | 175.2 | 156.5 | 37.1 | 36.6 | -142.9 | 75.5 | 0 | 0 | 107.6 | ||||
| 74 | A | 43.8 | Very low | 43.7 | Very low | 101 Ų | 101 | 129.4 Ų | 129.4 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | trans | 41.9 | 123.2 | 148.4 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 75 | A | 43.1 | Very low | 43.9 | Very low | 94 Ų | 94 | 125.4 Ų | 125.4 | 78% | 0.777 | 80% | 0.798 | S | S | * | * | -169.5 | 118.5 | 124.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 76 | L | 48.6 | Very low | 44.3 | Very low | 172 Ų | 172 | 126.1 Ų | 126.1 | 90% | 0.901 | 80% | 0.802 | S | S | * | * | trans | -64.3 | 139.4 | 159.4 | -64.7 | 163.1 | 0 | 0 | 0 | 108.8 | ||||
| 77 | Q | 50.4 | Low | 44.6 | Very low | 186 Ų | 186 | 124.1 Ų | 124.1 | 87% | 0.869 | 80% | 0.8 | S | S | * | * | trans | -148.1 | 115.6 | 151.5 | -111.5 | 166 | 64.7 | 0 | 0 | 110.2 | ||||
| 78 | D | 45.6 | Very low | 45.2 | Very low | 158 Ų | 158 | 126.5 Ų | 126.5 | 85% | 0.845 | 79% | 0.793 | S | S | * | * | trans | -76.5 | 124.7 | 177.4 | -153.3 | 7.3 | 0 | 0 | 0 | 108.1 | ||||
| 79 | T | 50.1 | Low | 45.7 | Very low | 120 Ų | 120 | 127.7 Ų | 127.7 | 74% | 0.736 | 79% | 0.794 | S | S | * | * | trans | -138.3 | 95.5 | 164.8 | 88.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 80 | D | 47.4 | Very low | 46.3 | Very low | 131 Ų | 131 | 130.3 Ų | 130.3 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | trans | -72.2 | 121.2 | 165.5 | -152.7 | -31.5 | 0 | 0 | 0 | 108.4 | ||||
| 81 | S | 41.7 | Very low | 46.5 | Very low | 112 Ų | 112 | 132.1 Ų | 132.1 | 78% | 0.783 | 78% | 0.779 | S | S | * | * | trans | -145.8 | 100.6 | 168.1 | -92.1 | 0 | 0 | 0 | 0 | 109.1 | S83 | S81-S83 PolarHBondContact O-N 3.47Š| ||
| 82 | L | 46.5 | Very low | 47.6 | Very low | 165 Ų | 165 | 138.4 Ų | 138.4 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | trans | -63.1 | 121.5 | 175.4 | -60.5 | 169.4 | 0 | 0 | 0 | 110.8 | ||||
| 83 | S | 39.9 | Very low | 48.5 | Very low | 110 Ų | 110 | 142.4 Ų | 142.4 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | trans | -137.9 | 121.4 | 157.8 | -172.5 | 0 | 0 | 0 | 0 | 109.6 | S81 G85 | S81-S83 PolarHBondContact O-N 3.47Å; S83-G85 PolarHBondContact O-N 2.98Å | ||
| 84 | P | 53 | Low | 49.9 | Very low | 137 Ų | 137 | 144.1 Ų | 144.1 | 89% | 0.89 | 80% | 0.797 | S | S | * | * | trans | -89.4 | 91.1 | 179.6 | 33.5 | -27.7 | 0 | 0 | 0 | 109.5 | ||||
| 85 | G | 37.9 | Very low | 51.4 | Low | 65 Ų | 65 | 147.8 Ų | 147.8 | 67% | 0.67 | 80% | 0.797 | S | S | * | * | trans | -126.1 | 95.8 | -179 | 0 | 0 | 0 | 0 | 0 | 112.4 | S83 | S83-G85 PolarHBondContact O-N 2.98Š| ||
| 86 | Q | 45.7 | Very low | 53.2 | Low | 195 Ų | 195 | 154.3 Ų | 154.3 | 91% | 0.911 | 80% | 0.801 | S | S | * | * | trans | 19.4 | 119.1 | 152.9 | -67.1 | 176.8 | 0.2 | 0 | 0 | 119.2 | ||||
| 87 | G | 48.3 | Very low | 54.7 | Low | 75 Ų | 75 | 157 Ų | 157 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | 78.4 | 64 | 119.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 88 | L | 48.1 | Very low | 56.3 | Low | 127 Ų | 127 | 153.1 Ų | 153.1 | 67% | 0.665 | 79% | 0.793 | S | S | * | * | trans | -159.7 | 67.8 | 148.6 | -152.2 | 57.4 | 0 | 0 | 0 | 111.6 | K90 | L88-K90 HydrophobicContact CB-CG 4.49Å; L88-K90 HydrophobicContact CD2-CD 4.29Å; L88-K90 HydrophobicContact CD2-CG 4.03Å; L88-K90 HydrophobicContact CG-CD 4.45Å; L88-K90 HydrophobicContact CG-CG 3.68Å; L88-K90 PolarHBondContact O-N 3.37Å | ||
| 89 | L | 52.2 | Low | 58.5 | Low | 172 Ų | 172 | 156.3 Ų | 156.3 | 90% | 0.901 | 79% | 0.793 | S | S | * | * | trans | -72.3 | 79.3 | 162.7 | -56 | -148.7 | 0 | 0 | 0 | 106.7 | R91 | L89-R91 VanDerWaalsContact C-N 3.31Å; L89-R91 PolarHBondContact O-N 2.78Å | ||
| 90 | K | 54.7 | Low | 60.5 | Low | 162 Ų | 162 | 152.8 Ų | 152.8 | 70% | 0.704 | 77% | 0.772 | S | S | * | * | trans | -49.4 | 101.2 | 169.1 | -62.6 | 177.7 | -175.6 | 175.5 | 0 | 105.1 | L88 K92 | L88-K90 HydrophobicContact CB-CG 4.49Å; L88-K90 HydrophobicContact CD2-CD 4.29Å; L88-K90 HydrophobicContact CD2-CG 4.03Å; L88-K90 HydrophobicContact CG-CD 4.45Å; L88-K90 HydrophobicContact CG-CG 3.68Å; L88-K90 PolarHBondContact O-N 3.37Å; K90-K92 PolarHBondContact O-N 2.89Å | ||
| 91 | R | 58.1 | Low | 62.8 | Low | 162 Ų | 162 | 152.2 Ų | 152.2 | 61% | 0.611 | 77% | 0.773 | S | S | * | * | trans | -54.3 | 94.2 | 163.1 | -69.8 | -177.7 | 78.3 | 154.3 | 1.8 | 104.7 | L89 K93 | L89-R91 VanDerWaalsContact C-N 3.31Å; L89-R91 PolarHBondContact O-N 2.78Å; R91-K93 PolarHBondContact O-N 3.11Å | ||
| 92 | K | 60 | Low | 65.3 | Low | 201 Ų | 201 | 149.6 Ų | 149.6 | 87% | 0.874 | 75% | 0.748 | S | S | * | * | trans | -71.4 | 75.4 | -175.3 | -160.1 | 167 | 176 | 170.5 | 0 | 105.8 | K90 K94 | K90-K92 PolarHBondContact O-N 2.89Å; K92-K94 PolarHBondContact O-N 3.35Å | ||
| 93 | K | 64 | Low | 67.7 | Low | 180 Ų | 180 | 146.5 Ų | 146.5 | 78% | 0.783 | 73% | 0.732 | S | S | * | * | trans | -48.7 | 110.8 | 169.4 | -109.9 | 164.3 | 174.1 | 157.1 | 0 | 104.5 | R91 Q95 | R91-K93 PolarHBondContact O-N 3.11Å; K93-Q95 PolarHBondContact O-N 3.5Å | ||
| 94 | K | 68.1 | Low | 70.4 | Confident | 202 Ų | 202 | 145.3 Ų | 145.3 | 88% | 0.878 | 72% | 0.724 | S | S | * | * | trans | -53.2 | 103.9 | -172.3 | -166 | 141.5 | -179.7 | 168.4 | 0 | 107.8 | K92 R96 | K92-K94 PolarHBondContact O-N 3.35Å; K94-R96 PolarHBondContact O-N 3.14Å | ||
| 95 | Q | 75.2 | Confident | 72.4 | Confident | 178 Ų | 178 | 142.5 Ų | 142.5 | 83% | 0.832 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 118.2 | 179.2 | -169 | 97.1 | 15.4 | 0 | 0 | 106.3 | K93 R97 | K93-Q95 PolarHBondContact O-N 3.5Å; Q95-R97 PolarHBondContact O-N 3.33Å |
| 96 | R | 80.9 | Confident | 75.2 | Confident | 230 Ų | 230 | 140.7 Ų | 140.7 | 87% | 0.868 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -56 | 133 | 174 | -89.2 | 175.5 | 74.4 | -170.5 | 5.4 | 107.4 | K94 S98 | K94-R96 PolarHBondContact O-N 3.14Å; R96-S98 PolarHBondContact O-N 3.07Å |
| 97 | R | 80.5 | Confident | 77.7 | Confident | 228 Ų | 228 | 134.7 Ų | 134.7 | 86% | 0.86 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 129 | 177.5 | -146.1 | -177.8 | -68.1 | -133.6 | 4.7 | 108 | Q95 R99 | Q95-R97 PolarHBondContact O-N 3.33Å; R97-R99 PolarHBondContact O-N 3.32Å |
| 98 | S | 85.4 | Confident | 80 | Confident | 105 Ų | 105 | 136.1 Ų | 136.1 | 73% | 0.734 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 138.6 | -178.6 | -58.5 | 0 | 0 | 0 | 0 | 110.6 | R96 | R96-S98 PolarHBondContact O-N 3.07Š|
| 99 | R | 91.4 | Very high | 82.2 | Confident | 225 Ų | 225 | 130.5 Ų | 130.5 | 85% | 0.849 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 136.6 | 179.5 | -172.2 | 174.4 | -173.9 | 142.1 | 1.7 | 109 | R97 | R97-R99 PolarHBondContact O-N 3.32Š|
| 100 | T | 92.1 | Very high | 84.4 | Confident | 46 Ų | 46 | 122.3 Ų | 122.3 | 28% | 0.282 | 57% | 0.571 | S | S | . | * | P | Polyproline II helix | trans | -78.1 | 129.8 | 173.3 | -51.1 | 0 | 0 | 0 | 0 | 109.7 | F102 L134 R138 | T100-F102 HydrophobicContact CG2-CD1 4.3Å; T100-F102 HydrophobicContact CG2-CE1 3.89Å; T100-F102 HydrophobicContact CG2-CZ 4.27Å; T100-L134 HydrophobicContact CG2-CD2 4.2Å; T100-R138 HydrophobicContact CG2-CG 4.48Å; T100-R138 WeakPolarHBondContact OG1-CD 3.44Å; T100-R138 PolarHBondContact OG1-NH1 3.35Å |
| 101 | T | 94.8 | Very high | 86.4 | Confident | 119 Ų | 119 | 116.8 Ų | 116.8 | 73% | 0.73 | 55% | 0.547 | S | S | * | . | P | Polyproline II helix | trans | -102.2 | 134.2 | 167.8 | 49.3 | 0 | 0 | 0 | 0 | 108.4 | ||
| 102 | F | 95.1 | Very high | 88.2 | Confident | 58 Ų | 58 | 112.2 Ų | 112.2 | 25% | 0.254 | 53% | 0.53 | S | S | . | . | P | Polyproline II helix | trans | -99.1 | 138.6 | -179.8 | -56.8 | -71.7 | 0 | 0 | 0 | 110 | T100 L107 L134 R138 W142 | T100-F102 HydrophobicContact CG2-CD1 4.3Å; T100-F102 HydrophobicContact CG2-CE1 3.89Å; T100-F102 HydrophobicContact CG2-CZ 4.27Å; F102-L107 HydrophobicContact CB-CD1 4.46Å; F102-L107 HydrophobicContact CB-CD2 3.68Å; F102-L107 HydrophobicContact CB-CG 3.83Å; F102-L107 HydrophobicContact CD2-CD2 4.19Å; F102-L107 HydrophobicContact CG-CD2 4.14Å; F102-L134 HydrophobicContact CD1-CD1 3.64Å; F102-L134 HydrophobicContact CD1-CD2 4.19Å; F102-L134 HydrophobicContact CE1-CD1 3.51Å; F102-L134 HydrophobicContact CE1-CD2 4.14Å; F102-L134 HydrophobicContact CE1-CG 4.48Å; F102-R138 HydrophobicContact CE1-CB 4.46Å; F102-W142 AromaticContact CD2-CD1 3.88Å; F102-W142 AromaticContact CE2-CD1 3.6Å; F102-W142 HydrophobicContact CE2-CG 4.49Å; F102-W142 HydrophobicContact CZ-CB 4.3Å; F102-W142 AromaticContact CZ-CD1 3.98Å |
| 103 | N | 97 | Very high | 89.9 | Confident | 100 Ų | 100 | 102.6 Ų | 102.6 | 54% | 0.535 | 49% | 0.488 | S | S | . | . | P | Polyproline II helix | trans | -75.9 | 162 | 172.4 | -63.9 | -3 | 0 | 0 | 0 | 110.3 | S105 Q106 L107 | N103-S105 PolarHBondContact O-N 2.92Å; N103-Q106 HydrophobicContact CB-CG 4.18Å; N103-Q106 WeakPolarHBondContact O-CB 3.5Å; N103-Q106 PolarHBondContact O-N 3.3Å; N103-L107 WeakPolarHBondContact O-CG 3.4Å; N103-L107 PolarHBondContact O-N 3.19Å |
| 104 | S | 96.1 | Very high | 91.4 | Very high | 85 Ų | 85 | 94.3 Ų | 94.3 | 59% | 0.594 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -58.1 | -46.9 | -178.9 | -168.4 | 0 | 0 | 0 | 0 | 112.6 | Q106 L107 Q108 | S104-Q106 VanDerWaalsContact C-N 3.31Å; S104-Q106 PolarHBondContact O-N 3.48Å; S104-L107 WeakPolarHBondContact O-CB 3.4Å; S104-L107 PolarHBondContact O-N 3.39Å; S104-L107 VanDerWaalsContact O-N 3.14Å; S104-Q108 WeakPolarHBondContact O-CG 3.41Å; S104-Q108 PolarHBondContact O-N 2.73Å |
| 105 | S | 95.1 | Very high | 92.8 | Very high | 77 Ų | 77 | 91.4 Ų | 91.4 | 54% | 0.538 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -60.6 | -37.8 | 178.3 | 56.6 | 0 | 0 | 0 | 0 | 113.1 | N103 Q108 A109 | N103-S105 PolarHBondContact O-N 2.92Å; S105-Q108 PolarHBondContact O-N 2.91Å; S105-A109 PolarHBondContact O-N 2.94Å |
| 106 | Q | 97.1 | Very high | 93.6 | Very high | 27 Ų | 27 | 88.1 Ų | 88.1 | 13% | 0.126 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -65.5 | -43.6 | 176.2 | -61.1 | 176.1 | -37.9 | 0 | 0 | 110.7 | N103 S104 A109 L110 V132 | N103-Q106 HydrophobicContact CB-CG 4.18Å; N103-Q106 WeakPolarHBondContact O-CB 3.5Å; N103-Q106 PolarHBondContact O-N 3.3Å; S104-Q106 VanDerWaalsContact C-N 3.31Å; S104-Q106 PolarHBondContact O-N 3.48Å; Q106-A109 PolarHBondContact O-N 3.48Å; Q106-L110 WeakPolarHBondContact O-CB 3.43Å; Q106-L110 WeakPolarHBondContact O-CD1 3.29Å; Q106-L110 WeakPolarHBondContact O-CG 3.48Å; Q106-L110 PolarHBondContact O-N 3.02Å; Q106-V132 HydrophobicContact CB-CB 4.35Å; Q106-V132 HydrophobicContact CG-CB 4.15Å; Q106-V132 PolarHBondContact NE2-O 3.14Å |
| 107 | L | 97.8 | Very high | 94.3 | Very high | 69 Ų | 69 | 78.8 Ų | 78.8 | 36% | 0.361 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63.2 | -42.5 | 176.6 | -68.1 | 174.9 | 0 | 0 | 0 | 111.8 | F102 N103 S104 L110 E111 W142 | F102-L107 HydrophobicContact CB-CD1 4.46Å; F102-L107 HydrophobicContact CB-CD2 3.68Å; F102-L107 HydrophobicContact CB-CG 3.83Å; F102-L107 HydrophobicContact CD2-CD2 4.19Å; F102-L107 HydrophobicContact CG-CD2 4.14Å; N103-L107 WeakPolarHBondContact O-CG 3.4Å; N103-L107 PolarHBondContact O-N 3.19Å; S104-L107 WeakPolarHBondContact O-CB 3.4Å; S104-L107 PolarHBondContact O-N 3.39Å; S104-L107 VanDerWaalsContact O-N 3.14Å; L107-L110 PolarHBondContact O-N 3.14Å; L107-E111 WeakPolarHBondContact O-CB 3.34Å; L107-E111 PolarHBondContact O-N 3.49Å; L107-W142 VanDerWaalsContact CD2-NE1 3.31Å |
| 108 | Q | 96.4 | Very high | 95.1 | Very high | 106 Ų | 106 | 71 Ų | 71 | 50% | 0.495 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60.2 | -47.1 | 176.4 | -73.6 | 175 | -24.3 | 0 | 0 | 111.7 | S104 S105 L110 E111 R112 | S104-Q108 WeakPolarHBondContact O-CG 3.41Å; S104-Q108 PolarHBondContact O-N 2.73Å; S105-Q108 PolarHBondContact O-N 2.91Å; Q108-L110 PolarHBondContact O-N 2.91Å; Q108-E111 PolarHBondContact O-N 3.04Å; Q108-R112 WeakPolarHBondContact O-CG 3.44Å; Q108-R112 PolarHBondContact O-N 3.04Å |
| 109 | A | 94.9 | Very high | 95.6 | Very high | 9 Ų | 9 | 73.3 Ų | 73.3 | 7% | 0.074 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61.5 | -43.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L37 S105 Q106 E111 V113 V132 | L37-A109 HydrophobicContact CD2-CB 3.85Å; S105-A109 PolarHBondContact O-N 2.94Å; Q106-A109 PolarHBondContact O-N 3.48Å; A109-E111 VanDerWaalsContact C-N 3.34Å; A109-V113 VanDerWaalsContact O-CG2 3.29Å; A109-V113 WeakPolarHBondContact O-CG2 3.27Å; A109-V113 PolarHBondContact O-N 3.22Å; A109-V132 HydrophobicContact CB-CG1 3.69Å |
| 110 | L | 97.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.2 | -39.9 | 176 | -70.8 | 163.5 | 0 | 0 | 0 | 111.9 | Q106 L107 Q108 V113 F114 L128 V139 W142 F143 | Q106-L110 WeakPolarHBondContact O-CB 3.43Å; Q106-L110 WeakPolarHBondContact O-CD1 3.29Å; Q106-L110 WeakPolarHBondContact O-CG 3.48Å; Q106-L110 PolarHBondContact O-N 3.02Å; L107-L110 PolarHBondContact O-N 3.14Å; Q108-L110 PolarHBondContact O-N 2.91Å; L110-V113 PolarHBondContact O-N 3.25Å; L110-F114 WeakPolarHBondContact O-CB 3.45Å; L110-F114 PolarHBondContact O-N 3.05Å; L110-L128 HydrophobicContact CD2-CD2 3.79Å; L110-L128 HydrophobicContact CD2-CG 4.32Å; L110-V139 HydrophobicContact CD2-CG1 3.97Å; L110-V139 HydrophobicContact CD2-CG2 4.3Å; L110-W142 HydrophobicContact CB-CD2 4.01Å; L110-W142 HydrophobicContact CB-CE3 3.91Å; L110-W142 HydrophobicContact CB-CH2 3.64Å; L110-W142 HydrophobicContact CB-CZ2 3.7Å; L110-W142 HydrophobicContact CB-CZ3 3.74Å; L110-W142 HydrophobicContact CD1-CD2 3.87Å; L110-W142 HydrophobicContact CD1-CE3 4.45Å; L110-W142 HydrophobicContact CD1-CG 3.9Å; L110-W142 HydrophobicContact CD2-CD2 4.36Å; L110-W142 HydrophobicContact CD2-CE3 4.19Å; L110-W142 HydrophobicContact CG-CD2 4.32Å; L110-W142 HydrophobicContact CG-CE3 4.42Å; L110-F143 HydrophobicContact CD2-CE2 3.89Å |
| 111 | E | 97.8 | Very high | 96 | Very high | 46 Ų | 46 | 66 Ų | 66 | 22% | 0.215 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -70.3 | -43.1 | 179.2 | -161.7 | 64.9 | -147.1 | 0 | 0 | 112.2 | L107 Q108 A109 V113 F114 E115 W142 R146 | L107-E111 WeakPolarHBondContact O-CB 3.34Å; L107-E111 PolarHBondContact O-N 3.49Å; Q108-E111 PolarHBondContact O-N 3.04Å; A109-E111 VanDerWaalsContact C-N 3.34Å; E111-V113 PolarHBondContact O-N 2.89Å; E111-F114 CarbonylContact O-C 3.6Å; E111-F114 WeakPolarHBondContact O-CA 3.24Å; E111-F114 VanDerWaalsContact O-CB 3.3Å; E111-F114 WeakPolarHBondContact O-CB 3.36Å; E111-F114 PolarHBondContact O-N 3.2Å; E111-E115 WeakPolarHBondContact O-CG 3.36Å; E111-E115 PolarHBondContact O-N 3.43Å; E111-W142 WeakPolarHBondContact OE2-CH2 3.4Å; E111-R146 VanDerWaalsContact CD-NE 3.33Å; E111-R146 IonicContact OE1-CZ 3.44Å; E111-R146 IonicContact OE1-NE 2.8Å; E111-R146 PolarHBondContact OE1-NE 3.15Å; E111-R146 IonicContact OE1-NH2 3.55Å; E111-R146 PolarHBondContact OE1-NH2 3.39Å; E111-R146 IonicContact OE2-CZ 3.43Å; E111-R146 IonicContact OE2-NE 3.54Å; E111-R146 PolarHBondContact OE2-NE 3.36Å; E111-R146 IonicContact OE2-NH2 2.73Å |
| 112 | R | 94.8 | Very high | 96.1 | Very high | 65 Ų | 65 | 62.1 Ų | 62.1 | 25% | 0.245 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -56.6 | -36.8 | 174.6 | -74.3 | -162.6 | -138.5 | 89.7 | -9.2 | 112.7 | E40 Q108 | E40-R112 IonicContact OE2-CZ 3.37Å; E40-R112 IonicContact OE2-NE 3.58Å; E40-R112 IonicContact OE2-NH2 2.78Å; E40-R112 PolarHBondContact OE2-NH2 2.9Å; Q108-R112 WeakPolarHBondContact O-CG 3.44Å; Q108-R112 PolarHBondContact O-N 3.04Å |
| 113 | V | 95.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -71.4 | -40.4 | 175.3 | 177.2 | 0 | 0 | 0 | 0 | 110.3 | L36 A109 L110 E111 E115 R116 T117 L128 F143 | L36-V113 HydrophobicContact CD2-CB 3.94Å; L36-V113 HydrophobicContact CD2-CG1 3.8Å; L36-V113 HydrophobicContact CD2-CG2 3.72Å; A109-V113 VanDerWaalsContact O-CG2 3.29Å; A109-V113 WeakPolarHBondContact O-CG2 3.27Å; A109-V113 PolarHBondContact O-N 3.22Å; L110-V113 PolarHBondContact O-N 3.25Å; E111-V113 PolarHBondContact O-N 2.89Å; V113-E115 PolarHBondContact O-N 3.26Å; V113-R116 PolarHBondContact O-N 3.1Å; V113-T117 PolarHBondContact O-N 3.45Å; V113-L128 HydrophobicContact CB-CD2 4.15Å; V113-L128 HydrophobicContact CG1-CD2 4.19Å; V113-L128 HydrophobicContact CG2-CD1 3.92Å; V113-L128 HydrophobicContact CG2-CD2 3.76Å; V113-L128 HydrophobicContact CG2-CG 4.48Å; V113-F143 HydrophobicContact CB-CZ 4.07Å; V113-F143 HydrophobicContact CG1-CE1 4.41Å; V113-F143 HydrophobicContact CG1-CZ 3.79Å |
| 114 | F | 96.8 | Very high | 96.1 | Very high | 5 Ų | 5 | 62.2 Ų | 62.2 | 2% | 0.022 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.7 | -43.3 | 178.9 | -171.2 | -97.9 | 0 | 0 | 0 | 112.5 | L110 E111 R116 T117 H118 W142 F143 R146 R147 F150 | L110-F114 WeakPolarHBondContact O-CB 3.45Å; L110-F114 PolarHBondContact O-N 3.05Å; E111-F114 CarbonylContact O-C 3.6Å; E111-F114 WeakPolarHBondContact O-CA 3.24Å; E111-F114 VanDerWaalsContact O-CB 3.3Å; E111-F114 WeakPolarHBondContact O-CB 3.36Å; E111-F114 PolarHBondContact O-N 3.2Å; F114-R116 PolarHBondContact O-N 2.93Å; F114-R116 VanDerWaalsContact O-N 3.14Å; F114-T117 WeakPolarHBondContact CA-O 3.39Å; F114-T117 CarbonylContact O-C 3.22Å; F114-T117 PolarHBondContact O-N 2.92Å; F114-H118 AromaticContact CD1-CD2 3.55Å; F114-H118 AromaticContact CD1-NE2 3.82Å; F114-H118 AromaticContact CD2-CD2 3.84Å; F114-H118 AromaticContact CE1-CD2 3.18Å; F114-H118 WeakPolarHBondContact CE1-CD2 3.19Å; F114-H118 AromaticContact CE1-NE2 3.29Å; F114-H118 VanDerWaalsContact CE1-NE2 3.29Å; F114-H118 WeakPolarHBondContact CE1-NE2 3.49Å; F114-H118 HydrophobicContact CE2-CB 3.92Å; F114-H118 AromaticContact CE2-CD2 3.51Å; F114-H118 AromaticContact CE2-CG 3.91Å; F114-H118 AromaticContact CG-CD2 3.85Å; F114-H118 HydrophobicContact CZ-CB 4.17Å; F114-H118 AromaticContact CZ-CD2 3.16Å; F114-H118 WeakPolarHBondContact CZ-CD2 3.44Å; F114-H118 AromaticContact CZ-CG 3.69Å; F114-H118 AromaticContact CZ-NE2 3.63Å; F114-H118 PolarHBondContact O-CD2 3.47Å; F114-W142 HydrophobicContact CB-CH2 4.42Å; F114-W142 HydrophobicContact CB-CZ3 4.31Å; F114-W142 HydrophobicContact CD2-CZ3 4.44Å; F114-F143 HydrophobicContact CB-CE1 4.03Å; F114-F143 AromaticContact CD2-CD1 3.77Å; F114-F143 HydrophobicContact CD2-CD1 3.77Å; F114-F143 AromaticContact CD2-CE1 3.76Å; F114-F143 HydrophobicContact CD2-CE1 3.76Å; F114-F143 HydrophobicContact CE2-CD1 4.46Å; F114-F143 HydrophobicContact CG-CE1 4.41Å; F114-R146 HydrophobicContact CD1-CG 3.96Å; F114-R146 HydrophobicContact CD2-CB 4.25Å; F114-R146 HydrophobicContact CD2-CG 3.63Å; F114-R146 HydrophobicContact CE1-CG 3.86Å; F114-R146 HydrophobicContact CE2-CB 4.02Å; F114-R146 HydrophobicContact CE2-CG 3.52Å; F114-R146 HydrophobicContact CG-CG 3.86Å; F114-R146 HydrophobicContact CZ-CB 4.45Å; F114-R146 HydrophobicContact CZ-CG 3.64Å; F114-R147 HydrophobicContact CE2-CG 3.82Å; F114-R147 HydrophobicContact CZ-CG 4.32Å; F114-F150 HydrophobicContact CE1-CD2 4.46Å; F114-F150 HydrophobicContact CZ-CB 4.42Å |
| 115 | E | 96.1 | Very high | 96.1 | Very high | 141 Ų | 141 | 60.4 Ų | 60.4 | 66% | 0.659 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -55.6 | -30.8 | 176.5 | -71.9 | 170.7 | 175.8 | 0 | 0 | 113 | E111 V113 | E111-E115 WeakPolarHBondContact O-CG 3.36Å; E111-E115 PolarHBondContact O-N 3.43Å; V113-E115 PolarHBondContact O-N 3.26Å |
| 116 | R | 93 | Very high | 96.2 | Very high | 109 Ų | 109 | 62.2 Ų | 62.2 | 41% | 0.411 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -89.7 | -40.9 | 178.1 | -72.5 | 170.2 | 159.7 | 122 | -5.2 | 113.2 | L36 V113 F114 | L36-R116 PolarHBondContact O-NH1 3.11Å; V113-R116 PolarHBondContact O-N 3.1Å; F114-R116 PolarHBondContact O-N 2.93Å; F114-R116 VanDerWaalsContact O-N 3.14Å |
| 117 | T | 95 | Very high | 96.1 | Very high | 34 Ų | 34 | 63.1 Ų | 63.1 | 21% | 0.209 | 30% | 0.295 | C | S | . | . | trans | -145.4 | 127.9 | 172.7 | -173 | 0 | 0 | 0 | 0 | 111.9 | F31 V113 F114 Y119 P120 | F31-T117 HydrophobicContact CE1-CG2 4.17Å; F31-T117 HydrophobicContact CE2-CG2 4.4Å; F31-T117 HydrophobicContact CZ-CG2 3.47Å; F31-T117 VanDerWaalsContact CZ-CG2 3.47Å; V113-T117 PolarHBondContact O-N 3.45Å; F114-T117 WeakPolarHBondContact CA-O 3.39Å; F114-T117 CarbonylContact O-C 3.22Å; F114-T117 PolarHBondContact O-N 2.92Å; T117-Y119 PolarHBondContact O-N 2.76Å; T117-Y119 PolarHBondContact OG1-N 2.95Å; T117-Y119 PolarHBondContact OG1-O 2.76Å; T117-P120 HydrophobicContact CG2-CB 3.97Å | ||
| 118 | H | 96.7 | Very high | 96.1 | Very high | 65 Ų | 65 | 59.8 Ų | 59.8 | 30% | 0.301 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -74.1 | -17.5 | 171.6 | -61.1 | 158.6 | 0 | 0 | 0 | 112.5 | F114 R147 | F114-H118 AromaticContact CD1-CD2 3.55Å; F114-H118 AromaticContact CD1-NE2 3.82Å; F114-H118 AromaticContact CD2-CD2 3.84Å; F114-H118 AromaticContact CE1-CD2 3.18Å; F114-H118 WeakPolarHBondContact CE1-CD2 3.19Å; F114-H118 AromaticContact CE1-NE2 3.29Å; F114-H118 VanDerWaalsContact CE1-NE2 3.29Å; F114-H118 WeakPolarHBondContact CE1-NE2 3.49Å; F114-H118 HydrophobicContact CE2-CB 3.92Å; F114-H118 AromaticContact CE2-CD2 3.51Å; F114-H118 AromaticContact CE2-CG 3.91Å; F114-H118 AromaticContact CG-CD2 3.85Å; F114-H118 HydrophobicContact CZ-CB 4.17Å; F114-H118 AromaticContact CZ-CD2 3.16Å; F114-H118 WeakPolarHBondContact CZ-CD2 3.44Å; F114-H118 AromaticContact CZ-CG 3.69Å; F114-H118 AromaticContact CZ-NE2 3.63Å; F114-H118 PolarHBondContact O-CD2 3.47Å; H118-R147 HydrophobicContact CB-CG 4.31Å; H118-R147 VanDerWaalsContact O-CD 3.28Å; H118-R147 WeakPolarHBondContact O-CD 3.06Å; H118-R147 PolarHBondContact O-NH1 3.41Å |
| 119 | Y | 97.3 | Very high | 96.1 | Very high | 153 Ų | 153 | 55 Ų | 55 | 60% | 0.6 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -129.2 | 71.6 | -174.7 | -64.5 | -92.9 | 0 | 0 | 0 | 110.8 | T117 R147 | T117-Y119 PolarHBondContact O-N 2.76Å; T117-Y119 PolarHBondContact OG1-N 2.95Å; T117-Y119 PolarHBondContact OG1-O 2.76Å; Y119-R147 VanDerWaalsContact CE1-CD 3.42Å; Y119-R147 VanDerWaalsContact CE1-NE 3.3Å |
| 120 | P | 95.3 | Very high | 96.2 | Very high | 6 Ų | 6 | 62 Ų | 62 | 4% | 0.039 | 28% | 0.28 | C | S | . | . | trans | -67.4 | 139.9 | 176.8 | 28.6 | -35.6 | 0 | 0 | 0 | 111.1 | T117 V124 R125 F143 | T117-P120 HydrophobicContact CG2-CB 3.97Å; P120-V124 HydrophobicContact CB-CB 4.27Å; P120-V124 HydrophobicContact CB-CG1 3.93Å; P120-R125 HydrophobicContact CB-CG 4.02Å; P120-R125 HydrophobicContact CG-CG 3.8Å; P120-R125 PolarHBondContact O-NH1 3.43Å; P120-F143 HydrophobicContact CG-CD1 3.66Å; P120-F143 HydrophobicContact CG-CD2 4.06Å; P120-F143 HydrophobicContact CG-CE1 3.59Å; P120-F143 HydrophobicContact CG-CE2 4.01Å; P120-F143 HydrophobicContact CG-CG 3.92Å; P120-F143 HydrophobicContact CG-CZ 3.79Å | ||
| 121 | D | 96.9 | Very high | 96 | Very high | 112 Ų | 112 | 65.5 Ų | 65.5 | 60% | 0.599 | 29% | 0.293 | S | S | * | . | trans | -68.7 | 163.3 | 177.1 | -169.6 | 19.1 | 0 | 0 | 0 | 112.5 | F123 V124 R125 | D121-F123 PolarHBondContact O-N 3.05Å; D121-V124 HydrophobicContact CB-CG2 4.37Å; D121-V124 WeakPolarHBondContact O-CB 3.3Å; D121-V124 PolarHBondContact O-N 3.43Å; D121-V124 VanDerWaalsContact O-N 3.14Å; D121-R125 WeakPolarHBondContact O-CG 3.47Å; D121-R125 PolarHBondContact O-N 3.35Å | ||
| 122 | A | 96.4 | Very high | 95.9 | Very high | 38 Ų | 38 | 63.9 Ų | 63.9 | 31% | 0.314 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -51.5 | -51.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V124 R125 E126 | A122-V124 VanDerWaalsContact C-N 3.31Å; A122-V124 PolarHBondContact O-N 2.87Å; A122-R125 PolarHBondContact O-N 3.06Å; A122-R125 VanDerWaalsContact O-N 3.11Å; A122-E126 WeakPolarHBondContact O-CG 3.46Å; A122-E126 PolarHBondContact O-N 3.07Å |
| 123 | F | 95.7 | Very high | 96 | Very high | 149 Ų | 149 | 67.6 Ų | 67.6 | 65% | 0.654 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -58.8 | -42 | 178.6 | 179.6 | -102.9 | 0 | 0 | 0 | 112.8 | D121 R125 E126 E127 | D121-F123 PolarHBondContact O-N 3.05Å; F123-R125 VanDerWaalsContact C-N 3.34Å; F123-R125 PolarHBondContact O-N 3.26Å; F123-E126 PolarHBondContact O-N 3.47Å; F123-E127 PolarHBondContact O-N 3.41Å |
| 124 | V | 95.1 | Very high | 96 | Very high | 10 Ų | 10 | 69 Ų | 69 | 6% | 0.061 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -66.3 | -38.5 | 178.6 | 178.8 | 0 | 0 | 0 | 0 | 110.6 | F31 V33 P120 D121 A122 L128 | F31-V124 HydrophobicContact CD1-CG2 3.94Å; F31-V124 HydrophobicContact CE1-CB 4.49Å; F31-V124 HydrophobicContact CE1-CG1 3.97Å; F31-V124 HydrophobicContact CE1-CG2 3.82Å; V33-V124 HydrophobicContact CG2-CB 4.42Å; V33-V124 HydrophobicContact CG2-CG1 3.74Å; V33-V124 WeakPolarHBondContact CG2-O 3.2Å; P120-V124 HydrophobicContact CB-CB 4.27Å; P120-V124 HydrophobicContact CB-CG1 3.93Å; D121-V124 HydrophobicContact CB-CG2 4.37Å; D121-V124 WeakPolarHBondContact O-CB 3.3Å; D121-V124 PolarHBondContact O-N 3.43Å; D121-V124 VanDerWaalsContact O-N 3.14Å; A122-V124 VanDerWaalsContact C-N 3.31Å; A122-V124 PolarHBondContact O-N 2.87Å; V124-L128 VanDerWaalsContact O-CB 3.27Å; V124-L128 WeakPolarHBondContact O-CB 3.4Å; V124-L128 PolarHBondContact O-N 2.78Å |
| 125 | R | 97.7 | Very high | 96 | Very high | 48 Ų | 48 | 72 Ų | 72 | 18% | 0.181 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -68 | -38.7 | 175.9 | -66.8 | -167.8 | -50.7 | -88.2 | -1.2 | 112 | P120 D121 A122 F123 A129 E136 V139 | P120-R125 HydrophobicContact CB-CG 4.02Å; P120-R125 HydrophobicContact CG-CG 3.8Å; P120-R125 PolarHBondContact O-NH1 3.43Å; D121-R125 WeakPolarHBondContact O-CG 3.47Å; D121-R125 PolarHBondContact O-N 3.35Å; A122-R125 PolarHBondContact O-N 3.06Å; A122-R125 VanDerWaalsContact O-N 3.11Å; F123-R125 VanDerWaalsContact C-N 3.34Å; F123-R125 PolarHBondContact O-N 3.26Å; R125-A129 VanDerWaalsContact O-CB 3.24Å; R125-A129 WeakPolarHBondContact O-CB 3.34Å; R125-A129 PolarHBondContact O-N 3.38Å; R125-E136 HydrophobicContact CB-CG 4.05Å; R125-E136 IonicContact CZ-OE1 2.89Å; R125-E136 VanDerWaalsContact CZ-OE1 3.31Å; R125-E136 IonicContact NE-OE1 3.74Å; R125-E136 PolarHBondContact NE-OE1 3.01Å; R125-E136 IonicContact NH2-OE1 3.68Å; R125-E136 PolarHBondContact NH2-OE1 3.22Å; R125-V139 HydrophobicContact CB-CG1 4.23Å; R125-V139 HydrophobicContact CG-CG1 4.27Å |
| 126 | E | 97.4 | Very high | 96.1 | Very high | 114 Ų | 114 | 67.6 Ų | 67.6 | 53% | 0.533 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.8 | -49.7 | 177.1 | -74.2 | 175.3 | -173.5 | 0 | 0 | 111.8 | A122 F123 L128 A129 R130 E136 | A122-E126 WeakPolarHBondContact O-CG 3.46Å; A122-E126 PolarHBondContact O-N 3.07Å; F123-E126 PolarHBondContact O-N 3.47Å; E126-L128 VanDerWaalsContact C-N 3.35Å; E126-L128 PolarHBondContact O-N 3.12Å; E126-A129 WeakPolarHBondContact O-CB 3.29Å; E126-A129 PolarHBondContact O-N 2.91Å; E126-R130 PolarHBondContact O-N 3.22Å; E126-E136 HydrophobicContact CG-CB 4.34Å; E126-E136 HydrophobicContact CG-CG 3.88Å |
| 127 | E | 95.1 | Very high | 96.3 | Very high | 46 Ų | 46 | 64.4 Ų | 64.4 | 22% | 0.215 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.7 | -38.5 | 178.3 | 174.9 | 58.6 | -164.5 | 0 | 0 | 111.8 | V33 F123 A129 R130 R131 | V33-E127 HydrophobicContact CB-CB 4.28Å; V33-E127 HydrophobicContact CB-CG 3.64Å; V33-E127 HydrophobicContact CG1-CG 4.22Å; V33-E127 HydrophobicContact CG2-CB 3.91Å; V33-E127 HydrophobicContact CG2-CG 3.84Å; F123-E127 PolarHBondContact O-N 3.41Å; E127-A129 PolarHBondContact O-N 2.8Å; E127-R130 PolarHBondContact O-N 3.47Å; E127-R130 IonicContact OE1-CZ 2.65Å; E127-R130 IonicContact OE1-NE 2.99Å; E127-R130 IonicContact OE1-NH2 2.98Å; E127-R130 PolarHBondContact OE1-NH2 2.87Å; E127-R130 IonicContact OE2-CZ 2.76Å; E127-R130 IonicContact OE2-NE 3.22Å; E127-R130 PolarHBondContact OE2-NE 2.99Å; E127-R130 IonicContact OE2-NH2 3.82Å; E127-R130 PolarHBondContact OE2-NH2 3.18Å; E127-R131 WeakPolarHBondContact O-CG 3.16Å; E127-R131 PolarHBondContact O-N 2.65Å; E127-R131 VanDerWaalsContact O-N 3.11Å; E127-R131 IonicContact OE1-CZ 3.78Å; E127-R131 IonicContact OE1-NE 3.69Å; E127-R131 PolarHBondContact OE1-NE 3.23Å; E127-R131 IonicContact OE1-NH2 3.98Å |
| 128 | L | 95.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.3 | -44.5 | 174.4 | -175.4 | 58.7 | 0 | 0 | 0 | 111.4 | V33 L37 L110 V113 V124 E126 R130 R131 V132 V139 F143 | V33-L128 HydrophobicContact CG1-CB 4.16Å; V33-L128 HydrophobicContact CG1-CD1 4Å; L37-L128 HydrophobicContact CD1-CD1 4.22Å; L110-L128 HydrophobicContact CD2-CD2 3.79Å; L110-L128 HydrophobicContact CD2-CG 4.32Å; V113-L128 HydrophobicContact CB-CD2 4.15Å; V113-L128 HydrophobicContact CG1-CD2 4.19Å; V113-L128 HydrophobicContact CG2-CD1 3.92Å; V113-L128 HydrophobicContact CG2-CD2 3.76Å; V113-L128 HydrophobicContact CG2-CG 4.48Å; V124-L128 VanDerWaalsContact O-CB 3.27Å; V124-L128 WeakPolarHBondContact O-CB 3.4Å; V124-L128 PolarHBondContact O-N 2.78Å; E126-L128 VanDerWaalsContact C-N 3.35Å; E126-L128 PolarHBondContact O-N 3.12Å; L128-R130 VanDerWaalsContact C-N 3.3Å; L128-R130 PolarHBondContact O-N 3.18Å; L128-R131 PolarHBondContact O-N 2.78Å; L128-R131 VanDerWaalsContact O-N 3.15Å; L128-V132 HydrophobicContact CD1-CG1 4.22Å; L128-V132 WeakPolarHBondContact O-CG2 3.4Å; L128-V132 PolarHBondContact O-N 3.02Å; L128-V139 HydrophobicContact CD2-CG1 4.1Å; L128-F143 HydrophobicContact CD2-CE2 3.93Å; L128-F143 HydrophobicContact CD2-CZ 4.3Å |
| 129 | A | 97.3 | Very high | 96.5 | Very high | 4 Ų | 4 | 63.5 Ų | 63.5 | 3% | 0.033 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.1 | -42.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | R125 E126 E127 N133 L134 E136 V139 | R125-A129 VanDerWaalsContact O-CB 3.24Å; R125-A129 WeakPolarHBondContact O-CB 3.34Å; R125-A129 PolarHBondContact O-N 3.38Å; E126-A129 WeakPolarHBondContact O-CB 3.29Å; E126-A129 PolarHBondContact O-N 2.91Å; E127-A129 PolarHBondContact O-N 2.8Å; A129-N133 PolarHBondContact O-N 2.93Å; A129-L134 CarbonylContact C-O 3.48Å; A129-L134 WeakPolarHBondContact CB-O 3.18Å; A129-L134 PolarHBondContact O-N 2.99Å; A129-L134 VanDerWaalsContact O-O 3.11Å; A129-E136 HydrophobicContact CB-CB 4.44Å; A129-V139 HydrophobicContact CB-CG2 3.77Å |
| 130 | R | 96.8 | Very high | 96.5 | Very high | 158 Ų | 158 | 59.9 Ų | 59.9 | 60% | 0.596 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -59.9 | -45.8 | 174.9 | -167 | -173.8 | 68.8 | 80.6 | 2.9 | 111.7 | E126 E127 L128 N133 | E126-R130 PolarHBondContact O-N 3.22Å; E127-R130 PolarHBondContact O-N 3.47Å; E127-R130 IonicContact OE1-CZ 2.65Å; E127-R130 IonicContact OE1-NE 2.99Å; E127-R130 IonicContact OE1-NH2 2.98Å; E127-R130 PolarHBondContact OE1-NH2 2.87Å; E127-R130 IonicContact OE2-CZ 2.76Å; E127-R130 IonicContact OE2-NE 3.22Å; E127-R130 PolarHBondContact OE2-NE 2.99Å; E127-R130 IonicContact OE2-NH2 3.82Å; E127-R130 PolarHBondContact OE2-NH2 3.18Å; L128-R130 VanDerWaalsContact C-N 3.3Å; L128-R130 PolarHBondContact O-N 3.18Å; R130-N133 PolarHBondContact O-N 2.8Å |
| 131 | R | 93.7 | Very high | 96.6 | Very high | 73 Ų | 73 | 62.5 Ų | 62.5 | 28% | 0.275 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -67.7 | -36.6 | -178.4 | -72.9 | -175.7 | 176.6 | -129 | -12.5 | 114.8 | S34 L37 D38 E127 L128 | S34-R131 VanDerWaalsContact CA-CZ 3.44Å; S34-R131 VanDerWaalsContact CA-NH1 3.34Å; S34-R131 PolarHBondContact OG-NH2 3.13Å; L37-R131 HydrophobicContact CD1-CB 4.42Å; L37-R131 VanDerWaalsContact CD1-CD 3.41Å; D38-R131 IonicContact OD1-NH1 2.95Å; E127-R131 WeakPolarHBondContact O-CG 3.16Å; E127-R131 PolarHBondContact O-N 2.65Å; E127-R131 VanDerWaalsContact O-N 3.11Å; E127-R131 IonicContact OE1-CZ 3.78Å; E127-R131 IonicContact OE1-NE 3.69Å; E127-R131 PolarHBondContact OE1-NE 3.23Å; E127-R131 IonicContact OE1-NH2 3.98Å; L128-R131 PolarHBondContact O-N 2.78Å; L128-R131 VanDerWaalsContact O-N 3.15Å |
| 132 | V | 95.2 | Very high | 96.7 | Very high | 12 Ų | 12 | 58.4 Ų | 58.4 | 7% | 0.073 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 7.7 | 179.2 | -56.7 | 0 | 0 | 0 | 0 | 113.1 | Q106 A109 L128 L134 | Q106-V132 HydrophobicContact CB-CB 4.35Å; Q106-V132 HydrophobicContact CG-CB 4.15Å; Q106-V132 PolarHBondContact NE2-O 3.14Å; A109-V132 HydrophobicContact CB-CG1 3.69Å; L128-V132 HydrophobicContact CD1-CG1 4.22Å; L128-V132 WeakPolarHBondContact O-CG2 3.4Å; L128-V132 PolarHBondContact O-N 3.02Å; V132-L134 HydrophobicContact CG2-CB 4.1Å; V132-L134 HydrophobicContact CG2-CD1 3.56Å; V132-L134 HydrophobicContact CG2-CG 3.79Å; V132-L134 PolarHBondContact O-N 3.34Å |
| 133 | N | 96.9 | Very high | 96.8 | Very high | 142 Ų | 142 | 56.7 Ų | 56.7 | 76% | 0.759 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 48.7 | -178.3 | -58.2 | 93.5 | 0 | 0 | 0 | 113.6 | A129 R130 | A129-N133 PolarHBondContact O-N 2.93Å; R130-N133 PolarHBondContact O-N 2.8Å |
| 134 | L | 96.1 | Very high | 96.9 | Very high | 31 Ų | 31 | 53.6 Ų | 53.6 | 16% | 0.162 | 26% | 0.26 | C | S | . | . | trans | -122.4 | 169.5 | 174.7 | -63.4 | 174.7 | 0 | 0 | 0 | 110.3 | T100 F102 A129 V132 R138 V139 | T100-L134 HydrophobicContact CG2-CD2 4.2Å; F102-L134 HydrophobicContact CD1-CD1 3.64Å; F102-L134 HydrophobicContact CD1-CD2 4.19Å; F102-L134 HydrophobicContact CE1-CD1 3.51Å; F102-L134 HydrophobicContact CE1-CD2 4.14Å; F102-L134 HydrophobicContact CE1-CG 4.48Å; A129-L134 CarbonylContact C-O 3.48Å; A129-L134 WeakPolarHBondContact CB-O 3.18Å; A129-L134 PolarHBondContact O-N 2.99Å; A129-L134 VanDerWaalsContact O-O 3.11Å; V132-L134 HydrophobicContact CG2-CB 4.1Å; V132-L134 HydrophobicContact CG2-CD1 3.56Å; V132-L134 HydrophobicContact CG2-CG 3.79Å; V132-L134 PolarHBondContact O-N 3.34Å; L134-R138 HydrophobicContact CB-CB 4.39Å; L134-V139 HydrophobicContact CB-CG2 4.36Å; L134-V139 HydrophobicContact CD1-CG2 4.46Å | ||
| 135 | S | 97.6 | Very high | 97.1 | Very high | 68 Ų | 68 | 57.9 Ų | 57.9 | 48% | 0.476 | 28% | 0.283 | S | S | . | . | trans | -83.8 | 149.2 | 165.6 | 72.9 | 0 | 0 | 0 | 0 | 111.3 | A137 R138 V139 | S135-A137 PolarHBondContact O-N 3.1Å; S135-R138 WeakPolarHBondContact O-CA 3.36Å; S135-R138 WeakPolarHBondContact O-CB 3.43Å; S135-R138 PolarHBondContact O-N 3.2Å; S135-R138 WeakPolarHBondContact OG-CG 3.38Å; S135-V139 PolarHBondContact O-N 2.94Å | ||
| 136 | E | 97.6 | Very high | 97.1 | Very high | 47 Ų | 47 | 58.6 Ų | 58.6 | 22% | 0.22 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -49.8 | -43.6 | 176.4 | -174.8 | -76.8 | 158.9 | 0 | 0 | 110.9 | R125 E126 A129 R138 V139 Q140 | R125-E136 HydrophobicContact CB-CG 4.05Å; R125-E136 IonicContact CZ-OE1 2.89Å; R125-E136 VanDerWaalsContact CZ-OE1 3.31Å; R125-E136 IonicContact NE-OE1 3.74Å; R125-E136 PolarHBondContact NE-OE1 3.01Å; R125-E136 IonicContact NH2-OE1 3.68Å; R125-E136 PolarHBondContact NH2-OE1 3.22Å; E126-E136 HydrophobicContact CG-CB 4.34Å; E126-E136 HydrophobicContact CG-CG 3.88Å; A129-E136 HydrophobicContact CB-CB 4.44Å; E136-R138 PolarHBondContact O-N 3.16Å; E136-V139 CarbonylContact O-C 3.55Å; E136-V139 WeakPolarHBondContact O-CA 3.34Å; E136-V139 WeakPolarHBondContact O-CB 3.47Å; E136-V139 PolarHBondContact O-N 3.2Å; E136-Q140 PolarHBondContact O-N 3.44Å |
| 137 | A | 97.1 | Very high | 97.1 | Very high | 43 Ų | 43 | 55.3 Ų | 55.3 | 36% | 0.355 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.1 | -32.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | S135 V141 | S135-A137 PolarHBondContact O-N 3.1Å; A137-V141 WeakPolarHBondContact O-CB 3.31Å; A137-V141 VanDerWaalsContact O-CG2 3.23Å; A137-V141 WeakPolarHBondContact O-CG2 3.47Å; A137-V141 PolarHBondContact O-N 2.87Å |
| 138 | R | 97.7 | Very high | 97.2 | Very high | 79 Ų | 79 | 54.7 Ų | 54.7 | 30% | 0.298 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -70.2 | -42.8 | 173.8 | -62.1 | -65.9 | 88.5 | 151.7 | 6.2 | 111 | T100 F102 L134 S135 E136 V141 W142 | T100-R138 HydrophobicContact CG2-CG 4.48Å; T100-R138 WeakPolarHBondContact OG1-CD 3.44Å; T100-R138 PolarHBondContact OG1-NH1 3.35Å; F102-R138 HydrophobicContact CE1-CB 4.46Å; L134-R138 HydrophobicContact CB-CB 4.39Å; S135-R138 WeakPolarHBondContact O-CA 3.36Å; S135-R138 WeakPolarHBondContact O-CB 3.43Å; S135-R138 PolarHBondContact O-N 3.2Å; S135-R138 WeakPolarHBondContact OG-CG 3.38Å; E136-R138 PolarHBondContact O-N 3.16Å; R138-V141 PolarHBondContact O-N 2.92Å; R138-W142 WeakPolarHBondContact O-CB 3.07Å; R138-W142 PolarHBondContact O-N 3.35Å |
| 139 | V | 97.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.6 | -47.8 | 174.8 | 177.5 | 0 | 0 | 0 | 0 | 109.9 | L110 R125 L128 A129 L134 S135 E136 V141 W142 F143 | L110-V139 HydrophobicContact CD2-CG1 3.97Å; L110-V139 HydrophobicContact CD2-CG2 4.3Å; R125-V139 HydrophobicContact CB-CG1 4.23Å; R125-V139 HydrophobicContact CG-CG1 4.27Å; L128-V139 HydrophobicContact CD2-CG1 4.1Å; A129-V139 HydrophobicContact CB-CG2 3.77Å; L134-V139 HydrophobicContact CB-CG2 4.36Å; L134-V139 HydrophobicContact CD1-CG2 4.46Å; S135-V139 PolarHBondContact O-N 2.94Å; E136-V139 CarbonylContact O-C 3.55Å; E136-V139 WeakPolarHBondContact O-CA 3.34Å; E136-V139 WeakPolarHBondContact O-CB 3.47Å; E136-V139 PolarHBondContact O-N 3.2Å; V139-V141 PolarHBondContact O-N 3.4Å; V139-W142 WeakPolarHBondContact O-CB 3.4Å; V139-W142 PolarHBondContact O-N 3.41Å; V139-W142 VanDerWaalsContact O-N 3.12Å; V139-F143 HydrophobicContact CG1-CD2 3.74Å; V139-F143 HydrophobicContact CG1-CE2 3.77Å; V139-F143 WeakPolarHBondContact O-CD2 3.37Å; V139-F143 PolarHBondContact O-N 2.8Å |
| 140 | Q | 97.9 | Very high | 97.2 | Very high | 78 Ų | 78 | 64.5 Ų | 64.5 | 36% | 0.364 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -56.5 | -47.5 | 175.9 | -170.5 | -169 | -49.6 | 0 | 0 | 112.1 | E136 W142 F143 Q144 | E136-Q140 PolarHBondContact O-N 3.44Å; Q140-W142 VanDerWaalsContact C-N 3.33Å; Q140-F143 PolarHBondContact O-N 3.05Å; Q140-Q144 VanDerWaalsContact O-CG 3.31Å; Q140-Q144 WeakPolarHBondContact O-CG 3.28Å; Q140-Q144 PolarHBondContact O-N 3.17Å; Q140-Q144 PolarHBondContact O-NE2 3.39Å |
| 141 | V | 98 | Very high | 97.1 | Very high | 60 Ų | 60 | 62.3 Ų | 62.3 | 36% | 0.364 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.7 | -38.7 | 177.4 | 170.4 | 0 | 0 | 0 | 0 | 111.3 | A137 R138 V139 Q144 N145 | A137-V141 WeakPolarHBondContact O-CB 3.31Å; A137-V141 VanDerWaalsContact O-CG2 3.23Å; A137-V141 WeakPolarHBondContact O-CG2 3.47Å; A137-V141 PolarHBondContact O-N 2.87Å; R138-V141 PolarHBondContact O-N 2.92Å; V139-V141 PolarHBondContact O-N 3.4Å; V141-Q144 PolarHBondContact O-N 3.25Å; V141-N145 WeakPolarHBondContact O-CB 3.48Å; V141-N145 VanDerWaalsContact O-CG 3.32Å; V141-N145 PolarHBondContact O-N 2.99Å; V141-N145 PolarHBondContact O-ND2 3.42Å |
| 142 | W | 98.1 | Very high | 97 | Very high | 27 Ų | 27 | 67.3 Ų | 67.3 | 10% | 0.102 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.7 | -50 | 176 | -173.2 | 99.7 | 0 | 0 | 0 | 111.2 | F102 L107 L110 E111 F114 R138 V139 Q140 Q144 N145 R146 | F102-W142 AromaticContact CD2-CD1 3.88Å; F102-W142 AromaticContact CE2-CD1 3.6Å; F102-W142 HydrophobicContact CE2-CG 4.49Å; F102-W142 HydrophobicContact CZ-CB 4.3Å; F102-W142 AromaticContact CZ-CD1 3.98Å; L107-W142 VanDerWaalsContact CD2-NE1 3.31Å; L110-W142 HydrophobicContact CB-CD2 4.01Å; L110-W142 HydrophobicContact CB-CE3 3.91Å; L110-W142 HydrophobicContact CB-CH2 3.64Å; L110-W142 HydrophobicContact CB-CZ2 3.7Å; L110-W142 HydrophobicContact CB-CZ3 3.74Å; L110-W142 HydrophobicContact CD1-CD2 3.87Å; L110-W142 HydrophobicContact CD1-CE3 4.45Å; L110-W142 HydrophobicContact CD1-CG 3.9Å; L110-W142 HydrophobicContact CD2-CD2 4.36Å; L110-W142 HydrophobicContact CD2-CE3 4.19Å; L110-W142 HydrophobicContact CG-CD2 4.32Å; L110-W142 HydrophobicContact CG-CE3 4.42Å; E111-W142 WeakPolarHBondContact OE2-CH2 3.4Å; F114-W142 HydrophobicContact CB-CH2 4.42Å; F114-W142 HydrophobicContact CB-CZ3 4.31Å; F114-W142 HydrophobicContact CD2-CZ3 4.44Å; R138-W142 WeakPolarHBondContact O-CB 3.07Å; R138-W142 PolarHBondContact O-N 3.35Å; V139-W142 WeakPolarHBondContact O-CB 3.4Å; V139-W142 PolarHBondContact O-N 3.41Å; V139-W142 VanDerWaalsContact O-N 3.12Å; Q140-W142 VanDerWaalsContact C-N 3.33Å; W142-Q144 VanDerWaalsContact C-N 3.34Å; W142-Q144 PolarHBondContact O-N 2.97Å; W142-N145 PolarHBondContact O-N 2.95Å; W142-N145 VanDerWaalsContact O-N 3.17Å; W142-R146 HydrophobicContact CE3-CB 4.1Å; W142-R146 HydrophobicContact CH2-CB 4.12Å; W142-R146 HydrophobicContact CH2-CG 3.78Å; W142-R146 HydrophobicContact CZ2-CG 4.42Å; W142-R146 HydrophobicContact CZ3-CB 3.86Å; W142-R146 HydrophobicContact CZ3-CG 3.89Å; W142-R146 WeakPolarHBondContact O-CB 3.47Å; W142-R146 PolarHBondContact O-N 3.29Å |
| 143 | F | 98.5 | Very high | 96.8 | Very high | 2 Ų | 2 | 71.6 Ų | 71.6 | 1% | 0.009 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.7 | -38.1 | 178.4 | -88.8 | -89 | 0 | 0 | 0 | 112.5 | L110 V113 F114 P120 L128 V139 Q140 R146 R147 | L110-F143 HydrophobicContact CD2-CE2 3.89Å; V113-F143 HydrophobicContact CB-CZ 4.07Å; V113-F143 HydrophobicContact CG1-CE1 4.41Å; V113-F143 HydrophobicContact CG1-CZ 3.79Å; F114-F143 HydrophobicContact CB-CE1 4.03Å; F114-F143 AromaticContact CD2-CD1 3.77Å; F114-F143 HydrophobicContact CD2-CD1 3.77Å; F114-F143 AromaticContact CD2-CE1 3.76Å; F114-F143 HydrophobicContact CD2-CE1 3.76Å; F114-F143 HydrophobicContact CE2-CD1 4.46Å; F114-F143 HydrophobicContact CG-CE1 4.41Å; P120-F143 HydrophobicContact CG-CD1 3.66Å; P120-F143 HydrophobicContact CG-CD2 4.06Å; P120-F143 HydrophobicContact CG-CE1 3.59Å; P120-F143 HydrophobicContact CG-CE2 4.01Å; P120-F143 HydrophobicContact CG-CG 3.92Å; P120-F143 HydrophobicContact CG-CZ 3.79Å; L128-F143 HydrophobicContact CD2-CE2 3.93Å; L128-F143 HydrophobicContact CD2-CZ 4.3Å; V139-F143 HydrophobicContact CG1-CD2 3.74Å; V139-F143 HydrophobicContact CG1-CE2 3.77Å; V139-F143 WeakPolarHBondContact O-CD2 3.37Å; V139-F143 PolarHBondContact O-N 2.8Å; Q140-F143 PolarHBondContact O-N 3.05Å; F143-R146 PolarHBondContact O-N 3.43Å; F143-R147 WeakPolarHBondContact O-CB 3.4Å; F143-R147 WeakPolarHBondContact O-CG 3.47Å; F143-R147 PolarHBondContact O-N 2.87Å |
| 144 | Q | 98.4 | Very high | 96.2 | Very high | 83 Ų | 83 | 69.5 Ų | 69.5 | 39% | 0.388 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60.7 | -47.4 | 173.2 | -75 | 174.7 | 86.9 | 0 | 0 | 112 | Q140 V141 W142 A148 | Q140-Q144 VanDerWaalsContact O-CG 3.31Å; Q140-Q144 WeakPolarHBondContact O-CG 3.28Å; Q140-Q144 PolarHBondContact O-N 3.17Å; Q140-Q144 PolarHBondContact O-NE2 3.39Å; V141-Q144 PolarHBondContact O-N 3.25Å; W142-Q144 VanDerWaalsContact C-N 3.34Å; W142-Q144 PolarHBondContact O-N 2.97Å; Q144-A148 WeakPolarHBondContact O-CB 3.39Å; Q144-A148 PolarHBondContact O-N 2.89Å |
| 145 | N | 98 | Very high | 95.4 | Very high | 100 Ų | 100 | 75.5 Ų | 75.5 | 54% | 0.535 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -65.9 | -39.6 | 178.1 | -72.6 | -28.6 | 0 | 0 | 0 | 111.8 | V141 W142 A148 K149 | V141-N145 WeakPolarHBondContact O-CB 3.48Å; V141-N145 VanDerWaalsContact O-CG 3.32Å; V141-N145 PolarHBondContact O-N 2.99Å; V141-N145 PolarHBondContact O-ND2 3.42Å; W142-N145 PolarHBondContact O-N 2.95Å; W142-N145 VanDerWaalsContact O-N 3.17Å; N145-A148 PolarHBondContact O-N 3.43Å; N145-K149 PolarHBondContact O-N 3.37Å |
| 146 | R | 98.1 | Very high | 94.6 | Very high | 64 Ų | 64 | 74.9 Ų | 74.9 | 24% | 0.242 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.1 | -49.1 | 177.7 | -171.9 | 67.5 | -175.4 | 131.4 | 0.7 | 110.9 | E111 F114 W142 F143 A148 K149 F150 | E111-R146 VanDerWaalsContact CD-NE 3.33Å; E111-R146 IonicContact OE1-CZ 3.44Å; E111-R146 IonicContact OE1-NE 2.8Å; E111-R146 PolarHBondContact OE1-NE 3.15Å; E111-R146 IonicContact OE1-NH2 3.55Å; E111-R146 PolarHBondContact OE1-NH2 3.39Å; E111-R146 IonicContact OE2-CZ 3.43Å; E111-R146 IonicContact OE2-NE 3.54Å; E111-R146 PolarHBondContact OE2-NE 3.36Å; E111-R146 IonicContact OE2-NH2 2.73Å; F114-R146 HydrophobicContact CD1-CG 3.96Å; F114-R146 HydrophobicContact CD2-CB 4.25Å; F114-R146 HydrophobicContact CD2-CG 3.63Å; F114-R146 HydrophobicContact CE1-CG 3.86Å; F114-R146 HydrophobicContact CE2-CB 4.02Å; F114-R146 HydrophobicContact CE2-CG 3.52Å; F114-R146 HydrophobicContact CG-CG 3.86Å; F114-R146 HydrophobicContact CZ-CB 4.45Å; F114-R146 HydrophobicContact CZ-CG 3.64Å; W142-R146 HydrophobicContact CE3-CB 4.1Å; W142-R146 HydrophobicContact CH2-CB 4.12Å; W142-R146 HydrophobicContact CH2-CG 3.78Å; W142-R146 HydrophobicContact CZ2-CG 4.42Å; W142-R146 HydrophobicContact CZ3-CB 3.86Å; W142-R146 HydrophobicContact CZ3-CG 3.89Å; W142-R146 WeakPolarHBondContact O-CB 3.47Å; W142-R146 PolarHBondContact O-N 3.29Å; F143-R146 PolarHBondContact O-N 3.43Å; R146-A148 VanDerWaalsContact C-N 3.32Å; R146-A148 PolarHBondContact O-N 3.04Å; R146-K149 PolarHBondContact O-N 3.15Å; R146-F150 PolarHBondContact O-N 2.93Å |
| 147 | R | 97.9 | Very high | 93.7 | Very high | 44 Ų | 44 | 76.9 Ų | 76.9 | 17% | 0.166 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -60.3 | -39 | 173.2 | -71.4 | -165.8 | -62.3 | -90 | 3.8 | 112.8 | F114 H118 Y119 F143 F150 R151 | F114-R147 HydrophobicContact CE2-CG 3.82Å; F114-R147 HydrophobicContact CZ-CG 4.32Å; H118-R147 HydrophobicContact CB-CG 4.31Å; H118-R147 VanDerWaalsContact O-CD 3.28Å; H118-R147 WeakPolarHBondContact O-CD 3.06Å; H118-R147 PolarHBondContact O-NH1 3.41Å; Y119-R147 VanDerWaalsContact CE1-CD 3.42Å; Y119-R147 VanDerWaalsContact CE1-NE 3.3Å; F143-R147 WeakPolarHBondContact O-CB 3.4Å; F143-R147 WeakPolarHBondContact O-CG 3.47Å; F143-R147 PolarHBondContact O-N 2.87Å; R147-F150 PolarHBondContact O-N 3.26Å; R147-R151 WeakPolarHBondContact O-CG 3.23Å; R147-R151 PolarHBondContact O-N 3.03Å |
| 148 | A | 97.8 | Very high | 92.7 | Very high | 33 Ų | 33 | 80.5 Ų | 80.5 | 27% | 0.273 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.8 | -41 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q144 N145 R146 R152 | Q144-A148 WeakPolarHBondContact O-CB 3.39Å; Q144-A148 PolarHBondContact O-N 2.89Å; N145-A148 PolarHBondContact O-N 3.43Å; R146-A148 VanDerWaalsContact C-N 3.32Å; R146-A148 PolarHBondContact O-N 3.04Å; A148-R152 WeakPolarHBondContact O-CB 3.47Å; A148-R152 PolarHBondContact O-N 3.48Å |
| 149 | K | 96.4 | Very high | 91.7 | Very high | 139 Ų | 139 | 79.3 Ų | 79.3 | 60% | 0.604 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -64.3 | -45.1 | 173.8 | -172.9 | 179.6 | 177.1 | -175.6 | 0 | 111 | N145 R146 R152 N153 | N145-K149 PolarHBondContact O-N 3.37Å; R146-K149 PolarHBondContact O-N 3.15Å; K149-R152 PolarHBondContact O-N 3.11Å; K149-R152 VanDerWaalsContact O-N 3.11Å; K149-N153 PolarHBondContact O-N 3.03Å |
| 150 | F | 95.3 | Very high | 90.6 | Very high | 72 Ų | 72 | 82.3 Ų | 82.3 | 32% | 0.316 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -55.2 | -54.1 | 177.1 | -175.9 | -92.3 | 0 | 0 | 0 | 111.6 | F114 R146 R147 R152 N153 E154 | F114-F150 HydrophobicContact CE1-CD2 4.46Å; F114-F150 HydrophobicContact CZ-CB 4.42Å; R146-F150 PolarHBondContact O-N 2.93Å; R147-F150 PolarHBondContact O-N 3.26Å; F150-R152 PolarHBondContact O-N 3.4Å; F150-N153 WeakPolarHBondContact O-CB 3.48Å; F150-N153 PolarHBondContact O-N 2.93Å; F150-N153 VanDerWaalsContact O-N 3.1Å; F150-E154 VanDerWaalsContact CE1-CD 3.48Å; F150-E154 HydrophobicContact CE1-CG 4.33Å; F150-E154 WeakPolarHBondContact CE1-OE1 3.37Å; F150-E154 WeakPolarHBondContact CZ-OE1 3.4Å; F150-E154 PolarHBondContact O-N 3.07Å; F150-E154 VanDerWaalsContact O-N 3.16Å |
| 151 | R | 95.5 | Very high | 89.2 | Confident | 112 Ų | 112 | 87.3 Ų | 87.3 | 42% | 0.423 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -63.4 | -25.6 | 176.6 | -67.6 | -165.1 | -57.7 | -101.8 | 2.6 | 114.2 | R147 R155 | R147-R151 WeakPolarHBondContact O-CG 3.23Å; R147-R151 PolarHBondContact O-N 3.03Å; R151-R155 PolarHBondContact O-NE 2.91Å |
| 152 | R | 92.4 | Very high | 87.8 | Confident | 177 Ų | 177 | 87.8 Ų | 87.8 | 67% | 0.668 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -76.9 | -39.4 | 175.3 | -179 | 178.9 | -87.1 | 117 | -7.3 | 110.5 | A148 K149 F150 R155 A156 | A148-R152 WeakPolarHBondContact O-CB 3.47Å; A148-R152 PolarHBondContact O-N 3.48Å; K149-R152 PolarHBondContact O-N 3.11Å; K149-R152 VanDerWaalsContact O-N 3.11Å; F150-R152 PolarHBondContact O-N 3.4Å; R152-R155 PolarHBondContact O-N 3.08Å; R152-A156 WeakPolarHBondContact O-CB 3.43Å; R152-A156 PolarHBondContact O-N 3.46Å |
| 153 | N | 90.8 | Very high | 86.4 | Confident | 102 Ų | 102 | 89.2 Ų | 89.2 | 55% | 0.545 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -60.4 | -48.1 | 177.5 | -174.7 | 74.1 | 0 | 0 | 0 | 111.6 | K149 F150 R155 A156 V157 | K149-N153 PolarHBondContact O-N 3.03Å; F150-N153 WeakPolarHBondContact O-CB 3.48Å; F150-N153 PolarHBondContact O-N 2.93Å; F150-N153 VanDerWaalsContact O-N 3.1Å; N153-R155 VanDerWaalsContact C-N 3.32Å; N153-R155 PolarHBondContact O-N 3.39Å; N153-A156 PolarHBondContact O-N 3.37Å; N153-A156 VanDerWaalsContact O-N 3.15Å; N153-V157 WeakPolarHBondContact O-CG2 3.42Å; N153-V157 PolarHBondContact O-N 2.81Å |
| 154 | E | 82.8 | Confident | 84.8 | Confident | 98 Ų | 98 | 94 Ų | 94 | 46% | 0.458 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -58.4 | -43.4 | 177.4 | -66.1 | 179.1 | 146.5 | 0 | 0 | 112.2 | F150 V157 L158 | F150-E154 VanDerWaalsContact CE1-CD 3.48Å; F150-E154 HydrophobicContact CE1-CG 4.33Å; F150-E154 WeakPolarHBondContact CE1-OE1 3.37Å; F150-E154 WeakPolarHBondContact CZ-OE1 3.4Å; F150-E154 PolarHBondContact O-N 3.07Å; F150-E154 VanDerWaalsContact O-N 3.16Å; E154-V157 PolarHBondContact O-N 2.92Å; E154-L158 PolarHBondContact O-N 2.95Å |
| 155 | R | 80.6 | Confident | 83.2 | Confident | 158 Ų | 158 | 95.7 Ų | 95.7 | 60% | 0.596 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -68.1 | -35.5 | 176.7 | -77.2 | -177.7 | -82.4 | 166.1 | -11.3 | 113.1 | R151 R152 N153 L158 A159 | R151-R155 PolarHBondContact O-NE 2.91Å; R152-R155 PolarHBondContact O-N 3.08Å; N153-R155 VanDerWaalsContact C-N 3.32Å; N153-R155 PolarHBondContact O-N 3.39Å; R155-L158 PolarHBondContact O-N 3.42Å; R155-A159 VanDerWaalsContact O-CB 3.31Å; R155-A159 WeakPolarHBondContact O-CB 3.48Å; R155-A159 PolarHBondContact O-N 3.45Å |
| 156 | A | 81 | Confident | 81.4 | Confident | 55 Ų | 55 | 96.4 Ų | 96.4 | 46% | 0.455 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.8 | -37.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | R152 N153 A159 S160 | R152-A156 WeakPolarHBondContact O-CB 3.43Å; R152-A156 PolarHBondContact O-N 3.46Å; N153-A156 PolarHBondContact O-N 3.37Å; N153-A156 VanDerWaalsContact O-N 3.15Å; A156-A159 PolarHBondContact O-N 3.46Å; A156-S160 VanDerWaalsContact O-CB 3.26Å; A156-S160 WeakPolarHBondContact O-CB 3.26Å; A156-S160 PolarHBondContact O-N 2.93Å |
| 157 | V | 78.1 | Confident | 79.5 | Confident | 89 Ų | 89 | 101 Ų | 101 | 54% | 0.539 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.3 | -44.7 | 175.1 | 174.3 | 0 | 0 | 0 | 0 | 110.9 | N153 E154 S160 R161 | N153-V157 WeakPolarHBondContact O-CG2 3.42Å; N153-V157 PolarHBondContact O-N 2.81Å; E154-V157 PolarHBondContact O-N 2.92Å; V157-S160 PolarHBondContact O-N 3.27Å; V157-R161 WeakPolarHBondContact O-CB 3.4Å; V157-R161 PolarHBondContact O-N 2.95Å |
| 158 | L | 75.3 | Confident | 77.4 | Confident | 119 Ų | 119 | 102.1 Ų | 102.1 | 62% | 0.623 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65.3 | -41.7 | 176.7 | -66.2 | 174.3 | 0 | 0 | 0 | 112.4 | E154 R155 R161 S162 | E154-L158 PolarHBondContact O-N 2.95Å; R155-L158 PolarHBondContact O-N 3.42Å; L158-R161 PolarHBondContact O-N 3.32Å; L158-S162 PolarHBondContact O-N 3.29Å; L158-S162 PolarHBondContact O-OG 3.01Å |
| 159 | A | 76.8 | Confident | 75.3 | Confident | 54 Ų | 54 | 108 Ų | 108 | 45% | 0.446 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -69.7 | -35.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | R155 A156 S162 A163 | R155-A159 VanDerWaalsContact O-CB 3.31Å; R155-A159 WeakPolarHBondContact O-CB 3.48Å; R155-A159 PolarHBondContact O-N 3.45Å; A156-A159 PolarHBondContact O-N 3.46Å; A159-S162 WeakPolarHBondContact CA-OG 3.31Å; A159-S162 PolarHBondContact O-N 2.87Å; A159-S162 PolarHBondContact O-OG 3.26Å; A159-A163 VanDerWaalsContact O-CB 3.3Å; A159-A163 WeakPolarHBondContact O-CB 3.43Å; A159-A163 PolarHBondContact O-N 3.36Å |
| 160 | S | 74.8 | Confident | 73.1 | Confident | 63 Ų | 63 | 107.1 Ų | 107.1 | 44% | 0.441 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.6 | -40.2 | 173.7 | 175.7 | 0 | 0 | 0 | 0 | 111 | A156 V157 A163 N164 | A156-S160 VanDerWaalsContact O-CB 3.26Å; A156-S160 WeakPolarHBondContact O-CB 3.26Å; A156-S160 PolarHBondContact O-N 2.93Å; V157-S160 PolarHBondContact O-N 3.27Å; S160-A163 PolarHBondContact O-N 3.06Å; S160-N164 WeakPolarHBondContact O-CB 3.3Å; S160-N164 VanDerWaalsContact O-CG 3.28Å; S160-N164 PolarHBondContact O-N 3.16Å; S160-N164 PolarHBondContact O-ND2 2.69Å; S160-N164 VanDerWaalsContact O-ND2 3.16Å |
| 161 | R | 69.2 | Low | 71.1 | Confident | 182 Ų | 182 | 112.1 Ų | 112.1 | 69% | 0.687 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -63.7 | -41.2 | 175.5 | -169.2 | 175.9 | -179.4 | -177.1 | -0.1 | 112.2 | V157 L158 N164 L165 | V157-R161 WeakPolarHBondContact O-CB 3.4Å; V157-R161 PolarHBondContact O-N 2.95Å; L158-R161 PolarHBondContact O-N 3.32Å; R161-N164 PolarHBondContact O-N 3.4Å; R161-L165 PolarHBondContact O-N 3.36Å; R161-L165 VanDerWaalsContact O-N 3.08Å |
| 162 | S | 68.4 | Low | 68.8 | Low | 71 Ų | 71 | 115.1 Ų | 115.1 | 50% | 0.497 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -70.7 | -35.8 | 175.9 | 61.3 | 0 | 0 | 0 | 0 | 113 | L158 A159 L165 L166 | L158-S162 PolarHBondContact O-N 3.29Å; L158-S162 PolarHBondContact O-OG 3.01Å; A159-S162 WeakPolarHBondContact CA-OG 3.31Å; A159-S162 PolarHBondContact O-N 2.87Å; A159-S162 PolarHBondContact O-OG 3.26Å; S162-L165 PolarHBondContact O-N 2.68Å; S162-L166 PolarHBondContact O-N 3.07Å; S162-L166 VanDerWaalsContact O-N 3.08Å |
| 163 | A | 67.8 | Low | 66.7 | Low | 56 Ų | 56 | 109.1 Ų | 109.1 | 46% | 0.463 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -65 | -38.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | A159 S160 L166 K167 | A159-A163 VanDerWaalsContact O-CB 3.3Å; A159-A163 WeakPolarHBondContact O-CB 3.43Å; A159-A163 PolarHBondContact O-N 3.36Å; S160-A163 PolarHBondContact O-N 3.06Å; A163-L166 PolarHBondContact O-N 3.41Å; A163-K167 WeakPolarHBondContact O-CB 3.47Å; A163-K167 PolarHBondContact O-N 3.08Å |
| 164 | N | 65.3 | Low | 64.7 | Low | 102 Ų | 102 | 111.6 Ų | 111.6 | 55% | 0.545 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -66.3 | -38.1 | 174.9 | -74.3 | -32.4 | 0 | 0 | 0 | 112.1 | S160 R161 K167 S168 | S160-N164 WeakPolarHBondContact O-CB 3.3Å; S160-N164 VanDerWaalsContact O-CG 3.28Å; S160-N164 PolarHBondContact O-N 3.16Å; S160-N164 PolarHBondContact O-ND2 2.69Å; S160-N164 VanDerWaalsContact O-ND2 3.16Å; R161-N164 PolarHBondContact O-N 3.4Å; N164-K167 PolarHBondContact O-N 2.81Å; N164-S168 WeakPolarHBondContact O-CB 3.42Å; N164-S168 PolarHBondContact O-N 2.94Å |
| 165 | L | 64.5 | Low | 63.3 | Low | 119 Ų | 119 | 113 Ų | 113 | 62% | 0.623 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -62.5 | -43.8 | 173.2 | -85 | 166.7 | 0 | 0 | 0 | 112.4 | R161 S162 K167 S168 Y169 | R161-L165 PolarHBondContact O-N 3.36Å; R161-L165 VanDerWaalsContact O-N 3.08Å; S162-L165 PolarHBondContact O-N 2.68Å; L165-K167 VanDerWaalsContact C-N 3.27Å; L165-K167 PolarHBondContact O-N 3.48Å; L165-S168 PolarHBondContact O-N 3.45Å; L165-Y169 PolarHBondContact O-N 3.36Å |
| 166 | L | 60.8 | Low | 62 | Low | 115 Ų | 115 | 114.1 Ų | 114.1 | 60% | 0.602 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -66.5 | -31.5 | 177.2 | -167.6 | 63.9 | 0 | 0 | 0 | 112.1 | S162 A163 N170 | S162-L166 PolarHBondContact O-N 3.07Å; S162-L166 VanDerWaalsContact O-N 3.08Å; A163-L166 PolarHBondContact O-N 3.41Å; L166-N170 PolarHBondContact O-N 3.36Å; L166-N170 PolarHBondContact O-ND2 2.91Å |
| 167 | K | 57.4 | Low | 60.5 | Low | 161 Ų | 161 | 119.4 Ų | 119.4 | 70% | 0.7 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -75 | -35.2 | 175.7 | -162.6 | 151.1 | -173 | 173.1 | 0 | 112.8 | A163 N164 L165 N170 Q171 | A163-K167 WeakPolarHBondContact O-CB 3.47Å; A163-K167 PolarHBondContact O-N 3.08Å; N164-K167 PolarHBondContact O-N 2.81Å; L165-K167 VanDerWaalsContact C-N 3.27Å; L165-K167 PolarHBondContact O-N 3.48Å; K167-N170 PolarHBondContact O-N 3.35Å; K167-Q171 PolarHBondContact O-N 2.81Å |
| 168 | S | 55.2 | Low | 59.2 | Low | 68 Ų | 68 | 120.5 Ų | 120.5 | 48% | 0.476 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -66.7 | -40.6 | 171.7 | -163.1 | 0 | 0 | 0 | 0 | 111.7 | N164 L165 N170 Q171 E172 | N164-S168 WeakPolarHBondContact O-CB 3.42Å; N164-S168 PolarHBondContact O-N 2.94Å; L165-S168 PolarHBondContact O-N 3.45Å; S168-N170 VanDerWaalsContact C-N 3.27Å; S168-N170 PolarHBondContact O-N 3.25Å; S168-Q171 PolarHBondContact O-N 2.74Å; S168-Q171 VanDerWaalsContact O-N 3.07Å; S168-E172 PolarHBondContact O-N 3.3Å |
| 169 | Y | 52.9 | Low | 58.1 | Low | 155 Ų | 155 | 121.2 Ų | 121.2 | 61% | 0.608 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -60.8 | -35.6 | 174 | -174 | -100.9 | 0 | 0 | 0 | 111.9 | L165 Q171 V173 | L165-Y169 PolarHBondContact O-N 3.36Å; Y169-Q171 VanDerWaalsContact C-N 3.28Å; Y169-Q171 PolarHBondContact O-N 3.42Å; Y169-V173 HydrophobicContact CD1-CG2 3.99Å; Y169-V173 HydrophobicContact CD2-CG2 4Å; Y169-V173 HydrophobicContact CE1-CG2 3.77Å; Y169-V173 HydrophobicContact CE2-CG2 3.79Å; Y169-V173 HydrophobicContact CG-CG2 4.1Å; Y169-V173 WeakPolarHBondContact O-CG2 2.96Å |
| 170 | N | 51.3 | Low | 57.2 | Low | 122 Ų | 122 | 122.4 Ų | 122.4 | 65% | 0.652 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -73.1 | -13.9 | 175.6 | -86.2 | -96 | 0 | 0 | 0 | 114.6 | L166 K167 S168 | L166-N170 PolarHBondContact O-N 3.36Å; L166-N170 PolarHBondContact O-ND2 2.91Å; K167-N170 PolarHBondContact O-N 3.35Å; S168-N170 VanDerWaalsContact C-N 3.27Å; S168-N170 PolarHBondContact O-N 3.25Å |
| 171 | Q | 51.4 | Low | 56.2 | Low | 176 Ų | 176 | 125.2 Ų | 125.2 | 82% | 0.822 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -93.9 | -19.1 | -179.7 | -167.7 | 165.1 | 60.4 | 0 | 0 | 113.1 | K167 S168 Y169 | K167-Q171 PolarHBondContact O-N 2.81Å; S168-Q171 PolarHBondContact O-N 2.74Å; S168-Q171 VanDerWaalsContact O-N 3.07Å; Y169-Q171 VanDerWaalsContact C-N 3.28Å; Y169-Q171 PolarHBondContact O-N 3.42Å |
| 172 | E | 47.8 | Very low | 55.4 | Low | 175 Ų | 175 | 127 Ų | 127 | 82% | 0.818 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -118.8 | -0.1 | -174.7 | -111.3 | -173.8 | -177.5 | 0 | 0 | 116.3 | S168 | S168-E172 PolarHBondContact O-N 3.3Å |
| 173 | V | 49 | Very low | 54.8 | Low | 52 Ų | 52 | 129.2 Ų | 129.2 | 32% | 0.315 | 69% | 0.686 | S | S | . | * | trans | -121.2 | 89 | 170.4 | -82.2 | 0 | 0 | 0 | 0 | 112.1 | Y169 I175 | Y169-V173 HydrophobicContact CD1-CG2 3.99Å; Y169-V173 HydrophobicContact CD2-CG2 4Å; Y169-V173 HydrophobicContact CE1-CG2 3.77Å; Y169-V173 HydrophobicContact CE2-CG2 3.79Å; Y169-V173 HydrophobicContact CG-CG2 4.1Å; Y169-V173 WeakPolarHBondContact O-CG2 2.96Å; V173-I175 HydrophobicContact CB-CB 4.26Å; V173-I175 HydrophobicContact CB-CD1 4.31Å; V173-I175 HydrophobicContact CB-CG1 4.06Å; V173-I175 HydrophobicContact CG1-CB 4.41Å; V173-I175 HydrophobicContact CG1-CD1 3.54Å; V173-I175 HydrophobicContact CG1-CG1 3.8Å; V173-I175 PolarHBondContact O-N 3.09Å; V173-I175 VanDerWaalsContact O-N 3.09Å | ||
| 174 | V | 49.2 | Very low | 54.5 | Low | 154 Ų | 154 | 130.1 Ų | 130.1 | 93% | 0.933 | 69% | 0.694 | S | S | * | * | trans | -72.1 | 70.5 | 141.1 | -178 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 175 | I | 51.8 | Low | 53.9 | Low | 128 Ų | 128 | 131 Ų | 131 | 66% | 0.656 | 71% | 0.705 | S | S | * | * | trans | -112.6 | 111.1 | 165.3 | -64.3 | 179.7 | 0 | 0 | 0 | 105.8 | V173 Q177 | V173-I175 HydrophobicContact CB-CB 4.26Å; V173-I175 HydrophobicContact CB-CD1 4.31Å; V173-I175 HydrophobicContact CB-CG1 4.06Å; V173-I175 HydrophobicContact CG1-CB 4.41Å; V173-I175 HydrophobicContact CG1-CD1 3.54Å; V173-I175 HydrophobicContact CG1-CG1 3.8Å; V173-I175 PolarHBondContact O-N 3.09Å; V173-I175 VanDerWaalsContact O-N 3.09Å; I175-Q177 PolarHBondContact O-N 3.21Å | ||
| 176 | E | 54.9 | Low | 53.5 | Low | 181 Ų | 181 | 132.7 Ų | 132.7 | 85% | 0.846 | 71% | 0.714 | S | S | * | * | trans | -42 | 114.5 | 175.6 | -171.8 | -164.8 | 146.6 | 0 | 0 | 111.1 | ||||
| 177 | Q | 49.5 | Very low | 53.4 | Low | 165 Ų | 165 | 131 Ų | 131 | 77% | 0.771 | 71% | 0.712 | S | S | * | * | trans | -90.7 | 138.2 | 164.1 | -81.7 | -126.4 | 66.7 | 0 | 0 | 108.9 | I175 V179 | I175-Q177 PolarHBondContact O-N 3.21Å; Q177-V179 PolarHBondContact O-N 3.33Å; Q177-V179 VanDerWaalsContact O-N 3.07Å | ||
| 178 | P | 49.6 | Very low | 53.1 | Low | 112 Ų | 112 | 128.3 Ų | 128.3 | 73% | 0.727 | 71% | 0.713 | S | S | * | * | trans | -59 | 117.4 | 175 | 23.9 | -31.9 | 0 | 0 | 0 | 109.4 | A180 | P178-A180 PolarHBondContact O-N 2.98Š| ||
| 179 | V | 53.4 | Low | 52.9 | Low | 135 Ų | 135 | 132.7 Ų | 132.7 | 82% | 0.818 | 73% | 0.726 | S | S | * | * | trans | -59.8 | 109.3 | 179.7 | 159.4 | 0 | 0 | 0 | 0 | 109.3 | Q177 | Q177-V179 PolarHBondContact O-N 3.33Å; Q177-V179 VanDerWaalsContact O-N 3.07Å | ||
| 180 | A | 56.3 | Low | 52.9 | Low | 78 Ų | 78 | 135.3 Ų | 135.3 | 65% | 0.645 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 143.7 | 158.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | P178 R182 | P178-A180 PolarHBondContact O-N 2.98Å; A180-R182 PolarHBondContact O-N 2.92Å |
| 181 | P | 54.3 | Low | 53 | Low | 123 Ų | 123 | 136 Ų | 136 | 80% | 0.799 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 116.8 | -177.6 | -18.2 | 29.2 | 0 | 0 | 0 | 110.1 | P183 | P181-P183 WeakPolarHBondContact O-CD 3.48Š|
| 182 | R | 53.1 | Low | 53.1 | Low | 220 Ų | 220 | 132.1 Ų | 132.1 | 83% | 0.83 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 122.7 | 178.9 | -175.2 | -179.9 | -179.1 | -177.5 | 1.5 | 109 | A180 A184 | A180-R182 PolarHBondContact O-N 2.92Å; R182-A184 PolarHBondContact O-N 3.22Å |
| 183 | P | 55.9 | Low | 53.5 | Low | 117 Ų | 117 | 135.5 Ų | 135.5 | 76% | 0.76 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -64 | 135.5 | 167.4 | 26 | -30.2 | 0 | 0 | 0 | 108.9 | P181 | P181-P183 WeakPolarHBondContact O-CD 3.48Š|
| 184 | A | 61.1 | Low | 53.8 | Low | 75 Ų | 75 | 137.7 Ų | 137.7 | 62% | 0.62 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -49.5 | 154.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | R182 L186 | R182-A184 PolarHBondContact O-N 3.22Å; A184-L186 PolarHBondContact O-N 3.1Å |
| 185 | P | 53 | Low | 53.5 | Low | 121 Ų | 121 | 134.4 Ų | 134.4 | 79% | 0.786 | 74% | 0.739 | S | S | * | * | trans | -65.9 | 108.3 | 172.9 | 28 | -31.9 | 0 | 0 | 0 | 109.4 | ||||
| 186 | L | 55.6 | Low | 53.7 | Low | 153 Ų | 153 | 133.4 Ų | 133.4 | 80% | 0.801 | 75% | 0.75 | S | S | * | * | trans | -71.3 | 142 | 170.4 | -64.9 | 174.9 | 0 | 0 | 0 | 109.6 | A184 | A184-L186 PolarHBondContact O-N 3.1Š| ||
| 187 | S | 59.8 | Low | 53.4 | Low | 80 Ų | 80 | 130.9 Ų | 130.9 | 56% | 0.559 | 75% | 0.746 | S | S | * | * | trans | -56.2 | 154.9 | -175.3 | 51.3 | 0 | 0 | 0 | 0 | 113.4 | E189 | S187-E189 PolarHBondContact O-N 3.04Š| ||
| 188 | S | 51.2 | Low | 53.8 | Low | 104 Ų | 104 | 128.7 Ų | 128.7 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -57.4 | 0.8 | -177.2 | -170.6 | 0 | 0 | 0 | 0 | 116 | Y190 | S188-Y190 VanDerWaalsContact C-N 3.28Å; S188-Y190 PolarHBondContact O-N 2.89Å |
| 189 | E | 50.3 | Low | 53.3 | Low | 161 Ų | 161 | 134 Ų | 134 | 75% | 0.752 | 75% | 0.754 | S | S | * | * | G | 310 helix | trans | -76.8 | -11.3 | -179.7 | -77.2 | 177 | 124.8 | 0 | 0 | 113.8 | S187 | S187-E189 PolarHBondContact O-N 3.04Š|
| 190 | Y | 52.3 | Low | 53.2 | Low | 209 Ų | 209 | 132.5 Ų | 132.5 | 82% | 0.82 | 75% | 0.749 | S | S | * | * | G | 310 helix | trans | -87.6 | 0.8 | -179.9 | -110.4 | -92.4 | 0 | 0 | 0 | 115.3 | S188 | S188-Y190 VanDerWaalsContact C-N 3.28Å; S188-Y190 PolarHBondContact O-N 2.89Å |
| 191 | L | 53.3 | Low | 52.7 | Low | 136 Ų | 136 | 133.6 Ų | 133.6 | 71% | 0.712 | 76% | 0.758 | S | S | * | * | G | 310 helix | trans | -96.4 | 22.1 | 179.3 | -74.6 | 166.9 | 0 | 0 | 0 | 114 | W193 | L191-W193 PolarHBondContact O-N 3.47Š|
| 192 | S | 53.4 | Low | 52.6 | Low | 95 Ų | 95 | 134.2 Ų | 134.2 | 66% | 0.664 | 76% | 0.759 | S | S | * | * | G | 310 helix | trans | -71.9 | 8.4 | -171.4 | 68.2 | 0 | 0 | 0 | 0 | 116.8 | S194 | S192-S194 PolarHBondContact O-N 3.07Š|
| 193 | W | 56.6 | Low | 52.6 | Low | 246 Ų | 246 | 129.4 Ų | 129.4 | 93% | 0.932 | 76% | 0.757 | S | S | * | * | G | 310 helix | trans | -71.3 | -12.1 | -179.4 | 137.2 | -81.3 | 0 | 0 | 0 | 114.2 | L191 | L191-W193 PolarHBondContact O-N 3.47Š|
| 194 | S | 55 | Low | 52 | Low | 98 Ų | 98 | 130.4 Ų | 130.4 | 69% | 0.685 | 76% | 0.756 | S | S | * | * | G | 310 helix | trans | -134.4 | 25.2 | -170.1 | 55.5 | 0 | 0 | 0 | 0 | 117.2 | S192 | S192-S194 PolarHBondContact O-N 3.07Š|
| 195 | S | 43.7 | Very low | 51.3 | Low | 86 Ų | 86 | 136.4 Ų | 136.4 | 60% | 0.601 | 76% | 0.764 | S | S | * | * | trans | -134.5 | 104.3 | 169.7 | 57.9 | 0 | 0 | 0 | 0 | 111.2 | T197 | S195-T197 PolarHBondContact O-N 3.42Š| ||
| 196 | A | 56.3 | Low | 50.5 | Low | 107 Ų | 107 | 135.9 Ų | 135.9 | 88% | 0.884 | 76% | 0.763 | S | S | * | * | trans | -56.8 | 128 | 162.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 197 | T | 48.3 | Very low | 50 | Low | 127 Ų | 127 | 134.3 Ų | 134.3 | 78% | 0.779 | 77% | 0.765 | S | S | * | * | trans | -124.5 | 138.4 | 160.5 | 32.3 | 0 | 0 | 0 | 0 | 109.6 | S195 | S195-T197 PolarHBondContact O-N 3.42Š| ||
| 198 | P | 57.6 | Low | 49 | Very low | 120 Ų | 120 | 136.4 Ų | 136.4 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | trans | -86.8 | 157.3 | 177.7 | 35.5 | -31.3 | 0 | 0 | 0 | 111 | ||||
| 199 | Y | 38.8 | Very low | 48.9 | Very low | 224 Ų | 224 | 136.6 Ų | 136.6 | 88% | 0.878 | 78% | 0.781 | S | S | * | * | trans | 89.2 | 102.5 | 159.9 | -135 | -100.6 | 0 | 0 | 0 | 119.3 | ||||
| 200 | S | 52.3 | Low | 48.9 | Very low | 103 Ų | 103 | 135.4 Ų | 135.4 | 72% | 0.72 | 79% | 0.785 | S | S | * | * | 52 | 108.5 | 128.5 | -132.3 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 201 | A | 44.1 | Very low | 48.7 | Very low | 101 Ų | 101 | 131.8 Ų | 131.8 | 84% | 0.835 | 79% | 0.787 | S | S | * | * | trans | -151.9 | 133.9 | 142.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 202 | V | 53 | Low | 48 | Very low | 135 Ų | 135 | 131.8 Ų | 131.8 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 148.3 | -173.5 | -66 | 0 | 0 | 0 | 0 | 114.2 | ||
| 203 | P | 54.1 | Low | 47.8 | Very low | 120 Ų | 120 | 132.5 Ų | 132.5 | 78% | 0.779 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 123.3 | 169.9 | 31.5 | -28 | 0 | 0 | 0 | 111 | ||
| 204 | N | 43.3 | Very low | 47.1 | Very low | 138 Ų | 138 | 123.7 Ų | 123.7 | 74% | 0.738 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 124.1 | 163.3 | -171.5 | 32.3 | 0 | 0 | 0 | 108.7 | ||
| 205 | Y | 44.8 | Very low | 46.7 | Very low | 200 Ų | 200 | 129 Ų | 129 | 78% | 0.784 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 123 | 174.6 | 28.6 | -92.4 | 0 | 0 | 0 | 109.4 | ||
| 206 | S | 37.3 | Very low | 46.7 | Very low | 111 Ų | 111 | 127.2 Ų | 127.2 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | trans | -149.5 | 111.6 | 156.7 | -77.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 207 | S | 43.9 | Very low | 46.5 | Very low | 119 Ų | 119 | 128.4 Ų | 128.4 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | trans | -64 | 138.5 | 177.4 | -47.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 208 | S | 40 | Very low | 46.8 | Very low | 124 Ų | 124 | 127.2 Ų | 127.2 | 87% | 0.867 | 79% | 0.788 | S | S | * | * | trans | -172.2 | 134.1 | 133.2 | 42.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 209 | S | 49.3 | Very low | 46.7 | Very low | 109 Ų | 109 | 128.8 Ų | 128.8 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | trans | -81.3 | 132.8 | -178 | 47.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 210 | T | 49.2 | Very low | 47.5 | Very low | 136 Ų | 136 | 121.1 Ų | 121.1 | 83% | 0.834 | 77% | 0.77 | S | S | * | * | trans | -168.9 | 137.2 | 137.4 | 45.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 211 | P | 47.6 | Very low | 48 | Very low | 133 Ų | 133 | 121.7 Ų | 121.7 | 86% | 0.864 | 77% | 0.765 | S | S | * | * | trans | -104 | 110.5 | 162 | 31.9 | -22.1 | 0 | 0 | 0 | 110 | ||||
| 212 | T | 39.3 | Very low | 49.9 | Very low | 135 Ų | 135 | 119.7 Ų | 119.7 | 83% | 0.828 | 75% | 0.745 | S | S | * | * | trans | -86.2 | 130.3 | 161.1 | -163.1 | 0 | 0 | 0 | 0 | 108.9 | G214 | T212-G214 PolarHBondContact O-N 3.03Å; T212-G214 VanDerWaalsContact O-N 3.16Å | ||
| 213 | A | 48.5 | Very low | 51.2 | Low | 111 Ų | 111 | 118.4 Ų | 118.4 | 92% | 0.917 | 73% | 0.732 | S | S | * | * | trans | -76.4 | 98.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 214 | G | 41.8 | Very low | 52.5 | Low | 60 Ų | 60 | 115.3 Ų | 115.3 | 62% | 0.619 | 72% | 0.716 | S | S | * | * | trans | -136.5 | 124.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | T212 G216 | T212-G214 PolarHBondContact O-N 3.03Å; T212-G214 VanDerWaalsContact O-N 3.16Å; G214-G216 PolarHBondContact O-N 3.04Å | ||
| 215 | Q | 47.8 | Very low | 54.6 | Low | 209 Ų | 209 | 110 Ų | 110 | 98% | 0.977 | 69% | 0.69 | S | S | * | * | trans | -29.9 | 121.1 | 176.6 | -65.6 | 164.6 | -20.3 | 0 | 0 | 115.2 | ||||
| 216 | G | 43 | Very low | 56.7 | Low | 50 Ų | 50 | 104.7 Ų | 104.7 | 52% | 0.515 | 68% | 0.675 | S | S | . | * | trans | -173.8 | 131.5 | 163.8 | 0 | 0 | 0 | 0 | 0 | 106.4 | G214 T218 | G214-G216 PolarHBondContact O-N 3.04Å; G216-T218 PolarHBondContact O-N 3.03Å; G216-T218 PolarHBondContact O-OG1 3.19Å; G216-T218 VanDerWaalsContact O-OG1 3.11Å | ||
| 217 | V | 52.3 | Low | 59.2 | Low | 132 Ų | 132 | 107.5 Ų | 107.5 | 80% | 0.8 | 67% | 0.669 | S | S | * | * | trans | -74.1 | 65 | 165.6 | -149.8 | 0 | 0 | 0 | 0 | 105.9 | N221 | V217-N221 HydrophobicContact CG1-CB 4.42Š| ||
| 218 | T | 55.1 | Low | 61.2 | Low | 101 Ų | 101 | 106.8 Ų | 106.8 | 62% | 0.62 | 66% | 0.655 | S | S | * | * | trans | -54.5 | 141.1 | 179.3 | -41.1 | 0 | 0 | 0 | 0 | 106 | G216 A220 N221 | G216-T218 PolarHBondContact O-N 3.03Å; G216-T218 PolarHBondContact O-OG1 3.19Å; G216-T218 VanDerWaalsContact O-OG1 3.11Å; T218-A220 WeakPolarHBondContact O-CA 3.41Å; T218-A220 PolarHBondContact O-N 2.94Å; T218-N221 PolarHBondContact O-N 3.11Å | ||
| 219 | M | 55.3 | Low | 63.5 | Low | 153 Ų | 153 | 108 Ų | 108 | 75% | 0.754 | 64% | 0.644 | S | S | * | * | G | 310 helix | trans | -47.3 | -16.5 | -173 | -70.2 | -138.4 | -78.5 | 0 | 0 | 114.7 | N221 S222 S225 | M219-N221 PolarHBondContact O-N 3.36Å; M219-S222 PolarHBondContact O-N 3.07Å; M219-S225 WeakPolarHBondContact O-CB 3.39Å; M219-S225 PolarHBondContact O-OG 2.83Å |
| 220 | A | 56.5 | Low | 65.1 | Low | 64 Ų | 64 | 105.7 Ų | 105.7 | 53% | 0.529 | 63% | 0.633 | S | S | . | * | G | 310 helix | trans | -39.8 | -29.6 | 165.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | T218 | T218-A220 WeakPolarHBondContact O-CA 3.41Å; T218-A220 PolarHBondContact O-N 2.94Å |
| 221 | N | 62.4 | Low | 66.8 | Low | 115 Ų | 115 | 106.5 Ų | 106.5 | 62% | 0.615 | 62% | 0.624 | S | S | * | * | G | 310 helix | trans | -98.6 | -6.1 | 179.4 | -73.8 | -36.9 | 0 | 0 | 0 | 115.2 | V217 T218 M219 | V217-N221 HydrophobicContact CG1-CB 4.42Å; T218-N221 PolarHBondContact O-N 3.11Å; M219-N221 PolarHBondContact O-N 3.36Å |
| 222 | S | 82.4 | Confident | 68.4 | Low | 58 Ų | 58 | 105.9 Ų | 105.9 | 41% | 0.406 | 61% | 0.61 | S | S | . | * | S | Bend | trans | -66.4 | 139.4 | 175.6 | 177.8 | 0 | 0 | 0 | 0 | 110.1 | M219 A224 S225 L226 | M219-S222 PolarHBondContact O-N 3.07Å; S222-A224 PolarHBondContact O-N 3.25Å; S222-A224 VanDerWaalsContact O-N 3.1Å; S222-A224 PolarHBondContact OG-N 3.31Å; S222-S225 PolarHBondContact O-N 3.07Å; S222-L226 PolarHBondContact O-N 2.6Å |
| 223 | I | 80.3 | Confident | 70.3 | Confident | 108 Ų | 108 | 107.8 Ų | 107.8 | 55% | 0.554 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -52 | -34.6 | 173.1 | -70.7 | 170.3 | 0 | 0 | 0 | 110.8 | R227 | I223-R227 WeakPolarHBondContact O-CB 3.18Å; I223-R227 WeakPolarHBondContact O-CD 3.4Å; I223-R227 WeakPolarHBondContact O-CG 3.37Å; I223-R227 PolarHBondContact O-N 2.96Å |
| 224 | A | 82.1 | Confident | 71.8 | Confident | 55 Ų | 55 | 104.7 Ų | 104.7 | 46% | 0.455 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -63.9 | -49 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | S222 R227 L228 | S222-A224 PolarHBondContact O-N 3.25Å; S222-A224 VanDerWaalsContact O-N 3.1Å; S222-A224 PolarHBondContact OG-N 3.31Å; A224-R227 WeakPolarHBondContact O-CB 3.4Å; A224-R227 PolarHBondContact O-N 3.31Å; A224-L228 WeakPolarHBondContact O-CG 3.28Å; A224-L228 PolarHBondContact O-N 3.16Å |
| 225 | S | 88.3 | Confident | 73.4 | Confident | 27 Ų | 27 | 107.6 Ų | 107.6 | 19% | 0.189 | 58% | 0.576 | C | S | . | * | H | α-helix | trans | -68.6 | -38.5 | 179.9 | -49.4 | 0 | 0 | 0 | 0 | 112.8 | M219 S222 R227 L228 K229 | M219-S225 WeakPolarHBondContact O-CB 3.39Å; M219-S225 PolarHBondContact O-OG 2.83Å; S222-S225 PolarHBondContact O-N 3.07Å; S225-R227 VanDerWaalsContact C-N 3.28Å; S225-R227 PolarHBondContact O-N 2.91Å; S225-L228 PolarHBondContact O-N 3.06Å; S225-K229 VanDerWaalsContact O-CB 3.29Å; S225-K229 WeakPolarHBondContact O-CB 3.31Å; S225-K229 PolarHBondContact O-N 2.65Å |
| 226 | L | 89.1 | Confident | 74.5 | Confident | 89 Ų | 89 | 103.2 Ų | 103.2 | 47% | 0.466 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -61.7 | -38.1 | 172.6 | -70.4 | 171.5 | 0 | 0 | 0 | 111.4 | S222 A230 | S222-L226 PolarHBondContact O-N 2.6Å; L226-A230 VanDerWaalsContact O-CB 3.28Å; L226-A230 WeakPolarHBondContact O-CB 2.89Å; L226-A230 PolarHBondContact O-N 3.46Å |
| 227 | R | 88.4 | Confident | 75.8 | Confident | 169 Ų | 169 | 106.2 Ų | 106.2 | 64% | 0.638 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -67.5 | -41.8 | 174.1 | -77.2 | 171.5 | -179.4 | 152.4 | 3 | 112.3 | I223 A224 S225 A230 K231 | I223-R227 WeakPolarHBondContact O-CB 3.18Å; I223-R227 WeakPolarHBondContact O-CD 3.4Å; I223-R227 WeakPolarHBondContact O-CG 3.37Å; I223-R227 PolarHBondContact O-N 2.96Å; A224-R227 WeakPolarHBondContact O-CB 3.4Å; A224-R227 PolarHBondContact O-N 3.31Å; S225-R227 VanDerWaalsContact C-N 3.28Å; S225-R227 PolarHBondContact O-N 2.91Å; R227-A230 PolarHBondContact O-N 2.78Å; R227-K231 WeakPolarHBondContact O-CG 3.48Å; R227-K231 PolarHBondContact O-N 3.18Å; R227-K231 VanDerWaalsContact O-N 3.07Å |
| 228 | L | 86.1 | Confident | 76 | Confident | 104 Ų | 104 | 104.9 Ų | 104.9 | 55% | 0.545 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.5 | -50 | 175.8 | -71.1 | 170.6 | 0 | 0 | 0 | 110.4 | A224 S225 A230 K231 E232 | A224-L228 WeakPolarHBondContact O-CG 3.28Å; A224-L228 PolarHBondContact O-N 3.16Å; S225-L228 PolarHBondContact O-N 3.06Å; L228-A230 VanDerWaalsContact C-N 3.31Å; L228-A230 PolarHBondContact O-N 3.47Å; L228-K231 WeakPolarHBondContact O-CB 3.45Å; L228-K231 PolarHBondContact O-N 3.32Å; L228-E232 PolarHBondContact O-N 3.32Å |
| 229 | K | 88 | Confident | 76.1 | Confident | 149 Ų | 149 | 107.1 Ų | 107.1 | 65% | 0.648 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -59 | -39.6 | 177 | -169.6 | 168.9 | -175.4 | 170.8 | 0 | 112.7 | S225 E232 Y233 | S225-K229 VanDerWaalsContact O-CB 3.29Å; S225-K229 WeakPolarHBondContact O-CB 3.31Å; S225-K229 PolarHBondContact O-N 2.65Å; K229-E232 PolarHBondContact O-N 3.44Å; K229-Y233 VanDerWaalsContact O-CB 3.31Å; K229-Y233 WeakPolarHBondContact O-CB 3.48Å; K229-Y233 PolarHBondContact O-N 3.42Å |
| 230 | A | 82.8 | Confident | 76.1 | Confident | 62 Ų | 62 | 105.8 Ų | 105.8 | 51% | 0.512 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -66.9 | -35.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113 | L226 R227 L228 S234 | L226-A230 VanDerWaalsContact O-CB 3.28Å; L226-A230 WeakPolarHBondContact O-CB 2.89Å; L226-A230 PolarHBondContact O-N 3.46Å; R227-A230 PolarHBondContact O-N 2.78Å; L228-A230 VanDerWaalsContact C-N 3.31Å; L228-A230 PolarHBondContact O-N 3.47Å; A230-S234 WeakPolarHBondContact O-CB 3.29Å; A230-S234 PolarHBondContact O-N 3.16Å; A230-S234 VanDerWaalsContact O-N 3.11Å |
| 231 | K | 85.9 | Confident | 75.9 | Confident | 153 Ų | 153 | 108.4 Ų | 108.4 | 67% | 0.665 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -66.9 | -46.7 | 174.3 | -75.3 | 177.1 | 174.8 | -173.5 | 0 | 111.1 | R227 L228 S234 L235 | R227-K231 WeakPolarHBondContact O-CG 3.48Å; R227-K231 PolarHBondContact O-N 3.18Å; R227-K231 VanDerWaalsContact O-N 3.07Å; L228-K231 WeakPolarHBondContact O-CB 3.45Å; L228-K231 PolarHBondContact O-N 3.32Å; K231-S234 PolarHBondContact O-N 3.41Å; K231-L235 PolarHBondContact O-N 2.89Å; K231-L235 VanDerWaalsContact O-N 3.16Å |
| 232 | E | 80 | Confident | 75.8 | Confident | 120 Ų | 120 | 109.4 Ų | 109.4 | 56% | 0.561 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -62.3 | -44.1 | 176.7 | -71.1 | -170.1 | 94.4 | 0 | 0 | 111.9 | L228 K229 S234 L235 H236 | L228-E232 PolarHBondContact O-N 3.32Å; K229-E232 PolarHBondContact O-N 3.44Å; E232-S234 VanDerWaalsContact C-N 3.3Å; E232-S234 PolarHBondContact O-N 3.23Å; E232-L235 WeakPolarHBondContact O-CB 3.4Å; E232-L235 PolarHBondContact O-N 3.26Å; E232-H236 PolarHBondContact O-N 3.11Å; E232-H236 PolarHBondContact O-ND1 2.74Å |
| 233 | Y | 80.7 | Confident | 74.1 | Confident | 174 Ų | 174 | 111.3 Ų | 111.3 | 68% | 0.682 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -60.7 | -39.5 | 177.3 | -168.8 | -94.2 | 0 | 0 | 0 | 112.3 | K229 L235 Q237 | K229-Y233 VanDerWaalsContact O-CB 3.31Å; K229-Y233 WeakPolarHBondContact O-CB 3.48Å; K229-Y233 PolarHBondContact O-N 3.42Å; Y233-L235 VanDerWaalsContact C-N 3.28Å; Y233-L235 PolarHBondContact O-N 3.1Å; Y233-Q237 PolarHBondContact O-N 3.4Å |
| 234 | S | 78.5 | Confident | 72.4 | Confident | 46 Ų | 46 | 117.5 Ų | 117.5 | 32% | 0.322 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -67.9 | -25.2 | 175.3 | -172.9 | 0 | 0 | 0 | 0 | 113.4 | A230 K231 E232 N238 | A230-S234 WeakPolarHBondContact O-CB 3.29Å; A230-S234 PolarHBondContact O-N 3.16Å; A230-S234 VanDerWaalsContact O-N 3.11Å; K231-S234 PolarHBondContact O-N 3.41Å; E232-S234 VanDerWaalsContact C-N 3.3Å; E232-S234 PolarHBondContact O-N 3.23Å; S234-N238 PolarHBondContact O-ND2 3.03Å |
| 235 | L | 77.4 | Confident | 71.9 | Confident | 122 Ų | 122 | 120.7 Ų | 120.7 | 64% | 0.639 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -75.7 | -46 | 179 | -170.4 | 68.6 | 0 | 0 | 0 | 110.8 | K231 E232 Y233 Q237 N238 | K231-L235 PolarHBondContact O-N 2.89Å; K231-L235 VanDerWaalsContact O-N 3.16Å; E232-L235 WeakPolarHBondContact O-CB 3.4Å; E232-L235 PolarHBondContact O-N 3.26Å; Y233-L235 VanDerWaalsContact C-N 3.28Å; Y233-L235 PolarHBondContact O-N 3.1Å; L235-Q237 VanDerWaalsContact C-N 3.3Å; L235-Q237 PolarHBondContact O-N 2.98Å; L235-N238 PolarHBondContact O-N 3.09Å |
| 236 | H | 70.9 | Confident | 71 | Confident | 116 Ų | 116 | 125.6 Ų | 125.6 | 54% | 0.537 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -64.2 | -30.5 | -179 | -68.2 | 93.9 | 0 | 0 | 0 | 113.4 | E232 N238 Q239 | E232-H236 PolarHBondContact O-N 3.11Å; E232-H236 PolarHBondContact O-ND1 2.74Å; H236-N238 VanDerWaalsContact C-N 3.25Å; H236-N238 PolarHBondContact O-N 3.43Å; H236-Q239 PolarHBondContact O-N 3.04Å |
| 237 | Q | 69.1 | Low | 70 | Confident | 113 Ų | 113 | 127.6 Ų | 127.6 | 53% | 0.528 | 67% | 0.665 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.9 | -10.6 | -178.9 | -150.8 | -171.4 | 25.2 | 0 | 0 | 114.6 | Y233 L235 | Y233-Q237 PolarHBondContact O-N 3.4Å; L235-Q237 VanDerWaalsContact C-N 3.3Å; L235-Q237 PolarHBondContact O-N 2.98Å |
| 238 | N | 56.3 | Low | 68.9 | Low | 104 Ų | 104 | 125.2 Ų | 125.2 | 56% | 0.556 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.6 | 3 | 179.3 | -68.4 | -75.8 | 0 | 0 | 0 | 113.6 | S234 L235 H236 | S234-N238 PolarHBondContact O-ND2 3.03Å; L235-N238 PolarHBondContact O-N 3.09Å; H236-N238 VanDerWaalsContact C-N 3.25Å; H236-N238 PolarHBondContact O-N 3.43Å |
| 239 | Q | 58.6 | Low | 67.8 | Low | 149 Ų | 149 | 126.5 Ų | 126.5 | 70% | 0.696 | 67% | 0.674 | S | S | * | * | trans | -101 | 81.7 | 175.6 | -62.2 | -170.5 | 104.6 | 0 | 0 | 109.2 | H236 | H236-Q239 PolarHBondContact O-N 3.04Š| ||
| 240 | V | 53.8 | Low | 66.5 | Low | 125 Ų | 125 | 125 Ų | 125 | 76% | 0.758 | 68% | 0.676 | S | S | * | * | trans | -75.2 | 123.9 | 169.1 | -137.9 | 0 | 0 | 0 | 0 | 107.2 | T242 | V240-T242 PolarHBondContact O-N 3.37Å; V240-T242 VanDerWaalsContact O-N 3.1Å | ||
| 241 | P | 52.7 | Low | 65.3 | Low | 119 Ų | 119 | 129.5 Ų | 129.5 | 77% | 0.773 | 69% | 0.688 | S | S | * | * | trans | -66.4 | 111.5 | 172.4 | -12.6 | 26.7 | 0 | 0 | 0 | 108.2 | A243 | P241-A243 VanDerWaalsContact C-N 3.3Å; P241-A243 PolarHBondContact O-N 3.45Å; P241-A243 VanDerWaalsContact O-N 3.09Å | ||
| 242 | T | 59.8 | Low | 63.8 | Low | 136 Ų | 136 | 127.7 Ų | 127.7 | 83% | 0.834 | 69% | 0.69 | S | S | * | * | trans | -73.7 | 93.7 | 160.4 | 52.6 | 0 | 0 | 0 | 0 | 106.3 | V240 N244 | V240-T242 PolarHBondContact O-N 3.37Å; V240-T242 VanDerWaalsContact O-N 3.1Å; T242-N244 PolarHBondContact O-N 2.82Å | ||
| 243 | A | 48.3 | Very low | 62.4 | Low | 97 Ų | 97 | 128.3 Ų | 128.3 | 80% | 0.802 | 70% | 0.7 | S | S | * | * | trans | -65.3 | 121.7 | 167.1 | 0 | 0 | 0 | 0 | 0 | 108 | P241 | P241-A243 VanDerWaalsContact C-N 3.3Å; P241-A243 PolarHBondContact O-N 3.45Å; P241-A243 VanDerWaalsContact O-N 3.09Å | ||
| 244 | N | 42.9 | Very low | 60.7 | Low | 239 Ų | 239 | 124.2 Ų | 124.2 | 100% | 1.278 | 70% | 0.702 | S | S | * | * | trans | -79 | 0 | 162.5 | -96.6 | -28.5 | 0 | 0 | 0 | 109.5 | T242 | T242-N244 PolarHBondContact O-N 2.82Š|
Retrieved 244 of 244 residues in 192.1 ms
(Link to these results)