| 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 | 34.3 | Very low | 30.9 | Very low | 241 Ų | 241 | 141.3 Ų | 141.3 | 100% | 1.187 | 82% | 0.818 | S | S | * | * | 0 | 120.4 | 0 | -80.5 | 138.6 | 76.5 | 0 | 0 | 107.6 | |||||
| 2 | A | 33.1 | Very low | 30.4 | Very low | 105 Ų | 105 | 138.5 Ų | 138.5 | 87% | 0.868 | 80% | 0.804 | S | S | * | * | trans | -75.5 | 151.9 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 3 | P | 36.4 | Very low | 30.5 | Very low | 116 Ų | 116 | 136.1 Ų | 136.1 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | trans | -128.6 | 120.7 | 147.6 | 29.9 | -13 | 0 | 0 | 0 | 113.3 | ||||
| 4 | L | 28.7 | Very low | 30.1 | Very low | 161 Ų | 161 | 136.4 Ų | 136.4 | 84% | 0.843 | 80% | 0.796 | S | S | * | * | trans | 46 | 135.2 | 142.6 | -63.8 | 164.6 | 0 | 0 | 0 | 122.3 | ||||
| 5 | P | 29.8 | Very low | 30 | Very low | 116 Ų | 116 | 135.1 Ų | 135.1 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | trans | -84.6 | 128 | 179.2 | 34.5 | -30.1 | 0 | 0 | 0 | 111.5 | ||||
| 6 | V | 33 | Very low | 29.8 | Very low | 121 Ų | 121 | 135.6 Ų | 135.6 | 73% | 0.733 | 80% | 0.796 | S | S | * | * | trans | -94.3 | 112.2 | 163.6 | -180 | 0 | 0 | 0 | 0 | 107.4 | N8 | V6-N8 VanDerWaalsContact C-N 3.34Å; V6-N8 PolarHBondContact O-N 2.99Å | ||
| 7 | T | 28.1 | Very low | 29.7 | Very low | 128 Ų | 128 | 136.3 Ų | 136.3 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | trans | -74.2 | 88.5 | 168.6 | 51 | 0 | 0 | 0 | 0 | 109 | ||||
| 8 | N | 29.3 | Very low | 29.5 | Very low | 131 Ų | 131 | 140.6 Ų | 140.6 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | trans | -94.2 | 106 | 158.8 | -87.5 | -11 | 0 | 0 | 0 | 107.5 | V6 V10 | V6-N8 VanDerWaalsContact C-N 3.34Å; V6-N8 PolarHBondContact O-N 2.99Å; N8-V10 VanDerWaalsContact C-N 3.29Å; N8-V10 PolarHBondContact O-N 3.49Å | ||
| 9 | N | 31.4 | Very low | 29.4 | Very low | 164 Ų | 164 | 140.3 Ų | 140.3 | 88% | 0.877 | 80% | 0.799 | S | S | * | * | trans | -68.9 | 94.3 | 165.8 | -82.9 | -7.5 | 0 | 0 | 0 | 108.4 | ||||
| 10 | V | 25.7 | Very low | 29.2 | Very low | 112 Ų | 112 | 137.7 Ų | 137.7 | 68% | 0.679 | 79% | 0.79 | S | S | * | * | trans | -72.6 | 111.9 | 157.5 | 170.2 | 0 | 0 | 0 | 0 | 107.3 | N8 V12 | N8-V10 VanDerWaalsContact C-N 3.29Å; N8-V10 PolarHBondContact O-N 3.49Å; V10-V12 HydrophobicContact CG1-CB 4.44Å; V10-V12 HydrophobicContact CG1-CG2 4Å | ||
| 11 | I | 30 | Very low | 29 | Very low | 159 Ų | 159 | 140 Ų | 140 | 82% | 0.815 | 79% | 0.794 | S | S | * | * | trans | -124.4 | 92.2 | 141.9 | -59.6 | -179.1 | 0 | 0 | 0 | 105.6 | ||||
| 12 | V | 25.5 | Very low | 28.7 | Very low | 108 Ų | 108 | 136.1 Ų | 136.1 | 66% | 0.655 | 78% | 0.777 | S | S | * | * | trans | -72.1 | 127.7 | 159.6 | 166.6 | 0 | 0 | 0 | 0 | 106.7 | V10 | V10-V12 HydrophobicContact CG1-CB 4.44Å; V10-V12 HydrophobicContact CG1-CG2 4Å | ||
| 13 | S | 30.8 | Very low | 28.3 | Very low | 107 Ų | 107 | 141.5 Ų | 141.5 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | trans | -149.8 | 97.1 | 148.7 | -67.6 | 0 | 0 | 0 | 0 | 107.4 | T15 | S13-T15 PolarHBondContact O-N 2.97Š| ||
| 14 | D | 24.8 | Very low | 28 | Very low | 140 Ų | 140 | 141.2 Ų | 141.2 | 75% | 0.749 | 77% | 0.772 | S | S | * | * | trans | -38.7 | 130 | 156.5 | -80.9 | -48.6 | 0 | 0 | 0 | 110.7 | ||||
| 15 | T | 28.8 | Very low | 27.8 | Very low | 117 Ų | 117 | 142.6 Ų | 142.6 | 72% | 0.718 | 77% | 0.771 | S | S | * | * | trans | -162.7 | 99.9 | 139.9 | -62.1 | 0 | 0 | 0 | 0 | 108.8 | S13 I17 | S13-T15 PolarHBondContact O-N 2.97Å; T15-I17 HydrophobicContact CG2-CB 4.35Å; T15-I17 HydrophobicContact CG2-CD1 3.64Å; T15-I17 HydrophobicContact CG2-CG1 3.62Å | ||
| 16 | T | 27.1 | Very low | 27.8 | Very low | 143 Ų | 143 | 144.1 Ų | 144.1 | 88% | 0.877 | 77% | 0.773 | S | S | * | * | trans | -79.9 | 107.4 | 160.7 | -58.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 17 | I | 28 | Very low | 27.4 | Very low | 148 Ų | 148 | 143.7 Ų | 143.7 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | trans | -138.9 | 131.1 | 165.6 | -62 | 179 | 0 | 0 | 0 | 110.7 | T15 | T15-I17 HydrophobicContact CG2-CB 4.35Å; T15-I17 HydrophobicContact CG2-CD1 3.64Å; T15-I17 HydrophobicContact CG2-CG1 3.62Å | ||
| 18 | R | 25.6 | Very low | 27.4 | Very low | 214 Ų | 214 | 146.1 Ų | 146.1 | 81% | 0.808 | 78% | 0.775 | S | S | * | * | trans | -57.2 | 158.1 | -179.5 | -83.7 | 174.1 | 163.4 | -161.5 | -3.9 | 114.7 | S20 | R18-S20 PolarHBondContact O-N 3.01Å; R18-S20 VanDerWaalsContact O-N 3.13Å | ||
| 19 | P | 27.6 | Very low | 27.2 | Very low | 134 Ų | 134 | 149 Ų | 149 | 87% | 0.87 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -83.3 | 89.1 | 173.5 | 34.8 | -29.5 | 0 | 0 | 0 | 109.9 | ||
| 20 | S | 25.2 | Very low | 27 | Very low | 89 Ų | 89 | 151.3 Ų | 151.3 | 62% | 0.622 | 78% | 0.783 | S | S | * | * | trans | -163.9 | 125.6 | 164.8 | 39.1 | 0 | 0 | 0 | 0 | 108.3 | R18 | R18-S20 PolarHBondContact O-N 3.01Å; R18-S20 VanDerWaalsContact O-N 3.13Å | ||
| 21 | E | 26 | Very low | 27.1 | Very low | 185 Ų | 185 | 152.3 Ų | 152.3 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | trans | 89.9 | 81.2 | 175.6 | -53 | -175.5 | 173.1 | 0 | 0 | 117.1 | ||||
| 22 | L | 28.7 | Very low | 27 | Very low | 161 Ų | 161 | 154.7 Ų | 154.7 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | trans | -122.1 | 80.3 | 144.1 | -112.9 | 160.6 | 0 | 0 | 0 | 108.2 | V24 | L22-V24 VanDerWaalsContact C-N 3.33Å; L22-V24 HydrophobicContact CD2-CG2 3.75Å; L22-V24 PolarHBondContact O-N 3.38Å; L22-V24 VanDerWaalsContact O-N 3.1Å | ||
| 23 | Y | 24.1 | Very low | 27.1 | Very low | 218 Ų | 218 | 158.2 Ų | 158.2 | 86% | 0.855 | 80% | 0.795 | S | S | * | * | trans | -70.5 | 89.6 | 163.8 | -119 | -90.8 | 0 | 0 | 0 | 107.8 | K25 | Y23-K25 PolarHBondContact O-N 3.18Š| ||
| 24 | V | 29.2 | Very low | 27.1 | Very low | 109 Ų | 109 | 158.8 Ų | 158.8 | 66% | 0.661 | 79% | 0.79 | S | S | * | * | trans | -89.5 | 95.8 | 163.2 | 179.7 | 0 | 0 | 0 | 0 | 107.5 | L22 N26 | L22-V24 VanDerWaalsContact C-N 3.33Å; L22-V24 HydrophobicContact CD2-CG2 3.75Å; L22-V24 PolarHBondContact O-N 3.38Å; L22-V24 VanDerWaalsContact O-N 3.1Å; V24-N26 PolarHBondContact O-N 3.05Å; V24-N26 VanDerWaalsContact O-N 3.09Å | ||
| 25 | K | 25.2 | Very low | 27.3 | Very low | 190 Ų | 190 | 160.9 Ų | 160.9 | 83% | 0.826 | 80% | 0.795 | S | S | * | * | trans | -70.6 | 93.4 | 168.7 | -154.6 | 176.6 | -168 | 177.7 | 0 | 107.5 | Y23 | Y23-K25 PolarHBondContact O-N 3.18Š| ||
| 26 | N | 28.6 | Very low | 27.6 | Very low | 149 Ų | 149 | 162 Ų | 162 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | trans | -134.5 | 110.3 | 159.2 | -104.9 | -14.9 | 0 | 0 | 0 | 109.8 | V24 K28 | V24-N26 PolarHBondContact O-N 3.05Å; V24-N26 VanDerWaalsContact O-N 3.09Å; N26-K28 PolarHBondContact O-N 3.04Å | ||
| 27 | S | 25.1 | Very low | 27.7 | Very low | 112 Ų | 112 | 163.6 Ų | 163.6 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | trans | -52.7 | 124.7 | 176.1 | -54.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 28 | K | 27.8 | Very low | 27.8 | Very low | 179 Ų | 179 | 164.1 Ų | 164.1 | 78% | 0.778 | 80% | 0.795 | S | S | * | * | -168.2 | 104.4 | 128.1 | -99.1 | 165.8 | -167.4 | -173.8 | 0 | 107.8 | N26 Y30 | N26-K28 PolarHBondContact O-N 3.04Å; K28-Y30 WeakPolarHBondContact O-CD2 3.41Å; K28-Y30 PolarHBondContact O-N 3.3Å; K28-Y30 VanDerWaalsContact O-N 3.12Å | |||
| 29 | E | 25.5 | Very low | 28.2 | Very low | 191 Ų | 191 | 163 Ų | 163 | 89% | 0.893 | 80% | 0.796 | S | S | * | * | trans | -34.8 | 106 | 157.3 | -170.1 | 167.5 | -161 | 0 | 0 | 110.1 | ||||
| 30 | Y | 27 | Very low | 28.6 | Very low | 213 Ų | 213 | 161.9 Ų | 161.9 | 84% | 0.835 | 79% | 0.787 | S | S | * | * | trans | -102.4 | 117 | 161.5 | -86 | -82.7 | 0 | 0 | 0 | 106.3 | K28 K32 | K28-Y30 WeakPolarHBondContact O-CD2 3.41Å; K28-Y30 PolarHBondContact O-N 3.3Å; K28-Y30 VanDerWaalsContact O-N 3.12Å; Y30-K32 PolarHBondContact O-N 2.84Å | ||
| 31 | D | 27.8 | Very low | 29.3 | Very low | 133 Ų | 133 | 161.4 Ų | 161.4 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | trans | -47.9 | 132.3 | 172.4 | -87 | -48.9 | 0 | 0 | 0 | 110.6 | F33 | D31-F33 PolarHBondContact O-N 2.68Š| ||
| 32 | K | 28.9 | Very low | 30.2 | Very low | 208 Ų | 208 | 155.9 Ų | 155.9 | 90% | 0.904 | 75% | 0.754 | S | S | * | * | trans | -63.5 | 84.5 | 169.7 | -165.9 | -179.4 | -174.2 | -172.8 | 0 | 107.4 | Y30 D34 | Y30-K32 PolarHBondContact O-N 2.84Å; K32-D34 PolarHBondContact O-N 3.17Å | ||
| 33 | F | 27.3 | Very low | 31.2 | Very low | 183 Ų | 183 | 151.3 Ų | 151.3 | 80% | 0.803 | 73% | 0.725 | S | S | * | * | trans | -63.5 | 121.1 | 170.7 | -107.6 | -92.9 | 0 | 0 | 0 | 108.2 | D31 E35 | D31-F33 PolarHBondContact O-N 2.68Å; F33-E35 PolarHBondContact O-N 3.47Å; F33-E35 VanDerWaalsContact O-N 3.16Å | ||
| 34 | D | 30 | Very low | 32.1 | Very low | 118 Ų | 118 | 144 Ų | 144 | 63% | 0.631 | 70% | 0.699 | S | S | * | * | trans | -54.8 | 114 | 171.8 | -126.4 | -38.6 | 0 | 0 | 0 | 108.8 | K32 N36 E37 | K32-D34 PolarHBondContact O-N 3.17Å; D34-N36 PolarHBondContact O-N 3.16Å; D34-E37 PolarHBondContact O-N 3.13Å | ||
| 35 | E | 30.8 | Very low | 32.9 | Very low | 184 Ų | 184 | 143.9 Ų | 143.9 | 86% | 0.86 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.8 | -1.8 | 174.9 | -90.6 | 179.9 | 154.2 | 0 | 0 | 113.1 | F33 | F33-E35 PolarHBondContact O-N 3.47Å; F33-E35 VanDerWaalsContact O-N 3.16Å |
| 36 | N | 33.2 | Very low | 33.8 | Very low | 142 Ų | 142 | 137.1 Ų | 137.1 | 76% | 0.759 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.5 | -8.8 | -178.3 | -72.7 | -37.7 | 0 | 0 | 0 | 115.4 | D34 | D34-N36 PolarHBondContact O-N 3.16Š|
| 37 | E | 29.7 | Very low | 34.5 | Very low | 176 Ų | 176 | 130.9 Ų | 130.9 | 82% | 0.822 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -105.3 | -2.6 | 175 | -86.7 | -165.8 | 155 | 0 | 0 | 114.8 | D34 K39 | D34-E37 PolarHBondContact O-N 3.13Å; E37-K39 PolarHBondContact O-N 3.24Å |
| 38 | M | 29.7 | Very low | 35.1 | Very low | 158 Ų | 158 | 128.7 Ų | 128.7 | 78% | 0.778 | 62% | 0.621 | S | S | * | * | trans | -83.5 | 60.8 | 166.7 | -106.1 | -167.1 | -171.9 | 0 | 0 | 111.2 | V40 | M38-V40 HydrophobicContact CB-CG2 4.38Å; M38-V40 HydrophobicContact CG-CG2 4.04Å; M38-V40 PolarHBondContact O-N 3.47Å; M38-V40 HydrophobicContact SD-CG2 4.19Å | ||
| 39 | K | 35.3 | Very low | 35.5 | Very low | 190 Ų | 190 | 131.1 Ų | 131.1 | 83% | 0.826 | 63% | 0.625 | S | S | * | * | trans | -73.1 | 72.2 | 148.2 | -80.4 | -172.7 | -179.5 | 179.1 | 0 | 107.5 | E37 L41 | E37-K39 PolarHBondContact O-N 3.24Å; K39-L41 VanDerWaalsContact C-N 3.32Å; K39-L41 PolarHBondContact O-N 3.2Å | ||
| 40 | V | 34.8 | Very low | 35.7 | Very low | 111 Ų | 111 | 124.5 Ų | 124.5 | 67% | 0.673 | 60% | 0.6 | S | S | * | * | trans | -52.9 | 109 | 154.8 | 178.2 | 0 | 0 | 0 | 0 | 104.2 | M38 N42 | M38-V40 HydrophobicContact CB-CG2 4.38Å; M38-V40 HydrophobicContact CG-CG2 4.04Å; M38-V40 PolarHBondContact O-N 3.47Å; M38-V40 HydrophobicContact SD-CG2 4.19Å; V40-N42 PolarHBondContact O-N 3.35Å | ||
| 41 | L | 39.9 | Very low | 35.8 | Very low | 79 Ų | 79 | 119.7 Ų | 119.7 | 41% | 0.414 | 60% | 0.598 | S | S | . | * | trans | -53.8 | 115.4 | -173.9 | -125.4 | 93 | 0 | 0 | 0 | 108.3 | K39 W43 L46 Q349 | K39-L41 VanDerWaalsContact C-N 3.32Å; K39-L41 PolarHBondContact O-N 3.2Å; L41-W43 PolarHBondContact O-N 3.41Å; L41-L46 HydrophobicContact CD2-CD1 4.43Å; L41-Q349 VanDerWaalsContact CD2-CD 3.44Å | ||
| 42 | N | 44.7 | Very low | 35.9 | Very low | 70 Ų | 70 | 117.5 Ų | 117.5 | 37% | 0.374 | 59% | 0.593 | S | S | . | * | trans | -74.8 | 97.6 | 178.3 | -167.7 | 2.4 | 0 | 0 | 0 | 106.6 | V40 Q44 T45 | V40-N42 PolarHBondContact O-N 3.35Å; N42-Q44 VanDerWaalsContact CG-CD 3.48Å; N42-Q44 VanDerWaalsContact CG-OE1 3.23Å; N42-Q44 PolarHBondContact ND2-OE1 2.95Å; N42-Q44 PolarHBondContact O-N 3.37Å; N42-Q44 WeakPolarHBondContact OD1-CB 3.42Å; N42-Q44 WeakPolarHBondContact OD1-CG 3.47Å; N42-Q44 PolarHBondContact OD1-N 2.98Å; N42-Q44 PolarHBondContact OD1-NE2 3.01Å; N42-Q44 PolarHBondContact OD1-OE1 3.47Å; N42-T45 PolarHBondContact O-N 3.42Å; N42-T45 PolarHBondContact O-OG1 3.17Å | ||
| 43 | W | 49.9 | Very low | 35.8 | Very low | 65 Ų | 65 | 114.8 Ų | 114.8 | 25% | 0.246 | 59% | 0.588 | C | S | . | * | G | 310 helix | trans | -50.9 | -19.1 | 177.5 | 54.5 | -94.6 | 0 | 0 | 0 | 112.5 | L41 T45 L46 L47 V235 T280 | L41-W43 PolarHBondContact O-N 3.41Å; W43-T45 PolarHBondContact O-N 3.49Å; W43-L46 PolarHBondContact O-N 3.17Å; W43-L46 VanDerWaalsContact O-N 3.08Å; W43-L47 HydrophobicContact CE3-CD1 4.32Å; W43-L47 HydrophobicContact CZ3-CD1 4.05Å; W43-V235 HydrophobicContact CE3-CG2 4.34Å; W43-T280 HydrophobicContact CH2-CG2 3.14Å; W43-T280 WeakPolarHBondContact CH2-OG1 3.36Å; W43-T280 HydrophobicContact CZ2-CG2 4.02Å; W43-T280 HydrophobicContact CZ3-CG2 3.49Å; W43-T280 VanDerWaalsContact CZ3-CG2 3.49Å |
| 44 | Q | 43.5 | Very low | 35.8 | Very low | 63 Ų | 63 | 115 Ų | 115 | 29% | 0.294 | 59% | 0.592 | S | S | . | * | G | 310 helix | trans | -56.5 | -25.8 | 170.4 | -61.4 | 161.6 | 12.8 | 0 | 0 | 113.4 | N42 L46 T280 H284 | N42-Q44 VanDerWaalsContact CG-CD 3.48Å; N42-Q44 VanDerWaalsContact CG-OE1 3.23Å; N42-Q44 PolarHBondContact ND2-OE1 2.95Å; N42-Q44 PolarHBondContact O-N 3.37Å; N42-Q44 WeakPolarHBondContact OD1-CB 3.42Å; N42-Q44 WeakPolarHBondContact OD1-CG 3.47Å; N42-Q44 PolarHBondContact OD1-N 2.98Å; N42-Q44 PolarHBondContact OD1-NE2 3.01Å; N42-Q44 PolarHBondContact OD1-OE1 3.47Å; Q44-L46 VanDerWaalsContact C-N 3.31Å; Q44-L46 PolarHBondContact O-N 3.39Å; Q44-T280 HydrophobicContact CG-CG2 4.05Å; Q44-H284 WeakPolarHBondContact CB-NE2 3.3Å; Q44-H284 VanDerWaalsContact CD-NE2 3.35Å; Q44-H284 WeakPolarHBondContact CG-NE2 3.49Å; Q44-H284 PolarHBondContact OE1-NE2 3.09Å |
| 45 | T | 47.1 | Very low | 35.9 | Very low | 108 Ų | 108 | 117.6 Ų | 117.6 | 66% | 0.663 | 60% | 0.604 | S | S | * | * | G | 310 helix | trans | -78 | -10.3 | 176.9 | 53.4 | 0 | 0 | 0 | 0 | 114.5 | N42 W43 | N42-T45 PolarHBondContact O-N 3.42Å; N42-T45 PolarHBondContact O-OG1 3.17Å; W43-T45 PolarHBondContact O-N 3.49Å |
| 46 | L | 42.6 | Very low | 35.8 | Very low | 47 Ų | 47 | 117.9 Ų | 117.9 | 25% | 0.246 | 61% | 0.606 | C | S | . | * | G | 310 helix | trans | -101.5 | 2.7 | -179 | -68.2 | 155.1 | 0 | 0 | 0 | 112.7 | L41 W43 Q44 L346 | L41-L46 HydrophobicContact CD2-CD1 4.43Å; W43-L46 PolarHBondContact O-N 3.17Å; W43-L46 VanDerWaalsContact O-N 3.08Å; Q44-L46 VanDerWaalsContact C-N 3.31Å; Q44-L46 PolarHBondContact O-N 3.39Å; L46-L346 HydrophobicContact CB-CD1 4.25Å; L46-L346 HydrophobicContact CD1-CD1 4.16Å; L46-L346 HydrophobicContact CD1-CD2 3.62Å; L46-L346 HydrophobicContact CD1-CG 3.71Å |
| 47 | L | 43.9 | Very low | 35.5 | Very low | 19 Ų | 19 | 118.5 Ų | 118.5 | 10% | 0.099 | 61% | 0.609 | C | S | . | * | S | Bend | trans | -77.8 | 145 | 172.8 | -68.6 | 167.6 | 0 | 0 | 0 | 109.7 | W43 R49 Y238 A281 | W43-L47 HydrophobicContact CE3-CD1 4.32Å; W43-L47 HydrophobicContact CZ3-CD1 4.05Å; L47-R49 PolarHBondContact O-N 2.98Å; L47-R49 VanDerWaalsContact O-N 3.08Å; L47-Y238 HydrophobicContact CD2-CE1 4.48Å; L47-A281 VanDerWaalsContact CD1-CA 3.42Å; L47-A281 HydrophobicContact CD1-CB 3.79Å; L47-A281 HydrophobicContact CD2-CB 3.53Å; L47-A281 HydrophobicContact CG-CB 4.15Å |
| 48 | P | 38.2 | Very low | 35.4 | Very low | 65 Ų | 65 | 120.4 Ų | 120.4 | 42% | 0.422 | 61% | 0.609 | S | S | . | * | P | Polyproline II helix | trans | -61.4 | 118.5 | -173.3 | 23.7 | -29.5 | 0 | 0 | 0 | 110 | S50 | P48-S50 PolarHBondContact O-N 2.95Š|
| 49 | R | 35.7 | Very low | 35.3 | Very low | 230 Ų | 230 | 119.5 Ų | 119.5 | 87% | 0.868 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 120 | 167.4 | -147.3 | 172.4 | -176.3 | 170.5 | -0.3 | 105.8 | L47 S51 | L47-R49 PolarHBondContact O-N 2.98Å; L47-R49 VanDerWaalsContact O-N 3.08Å; R49-S51 PolarHBondContact O-N 3.24Å |
| 50 | S | 30.4 | Very low | 34.9 | Very low | 53 Ų | 53 | 119.5 Ų | 119.5 | 37% | 0.371 | 61% | 0.608 | S | S | . | * | trans | -57.3 | 115.9 | -179.9 | 59.4 | 0 | 0 | 0 | 0 | 109.3 | P48 S52 | P48-S50 PolarHBondContact O-N 2.95Å; S50-S52 PolarHBondContact O-N 3.08Å; S50-S52 VanDerWaalsContact O-N 3.13Å | ||
| 51 | S | 27.8 | Very low | 34.7 | Very low | 112 Ų | 112 | 120.2 Ų | 120.2 | 78% | 0.783 | 62% | 0.615 | S | S | * | * | trans | -71.5 | 100.3 | 167.4 | 38.2 | 0 | 0 | 0 | 0 | 107.9 | R49 D53 | R49-S51 PolarHBondContact O-N 3.24Å; S51-D53 PolarHBondContact O-N 2.87Å; S51-D53 VanDerWaalsContact O-N 3.15Å | ||
| 52 | S | 30.5 | Very low | 34.2 | Very low | 87 Ų | 87 | 124.4 Ų | 124.4 | 61% | 0.608 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | 7.1 | -180 | -75 | 0 | 0 | 0 | 0 | 114.9 | S50 | S50-S52 PolarHBondContact O-N 3.08Å; S50-S52 VanDerWaalsContact O-N 3.13Å |
| 53 | D | 26.7 | Very low | 33.3 | Very low | 151 Ų | 151 | 129.9 Ų | 129.9 | 81% | 0.807 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.1 | 13.6 | -163 | -65.9 | -19.4 | 0 | 0 | 0 | 116.3 | S51 | S51-D53 PolarHBondContact O-N 2.87Å; S51-D53 VanDerWaalsContact O-N 3.15Å |
| 54 | Q | 28.5 | Very low | 32.5 | Very low | 188 Ų | 188 | 132.6 Ų | 132.6 | 88% | 0.879 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -132.7 | 21.1 | -179.6 | -75.9 | -137.1 | 50.2 | 0 | 0 | 117.4 | ||
| 55 | L | 31.3 | Very low | 31.8 | Very low | 172 Ų | 172 | 137.8 Ų | 137.8 | 90% | 0.901 | 70% | 0.7 | S | S | * | * | trans | -116.7 | 37.1 | 176.7 | -142.4 | 82 | 0 | 0 | 0 | 114.8 | ||||
| 56 | E | 28.3 | Very low | 31.4 | Very low | 189 Ų | 189 | 138.6 Ų | 138.6 | 88% | 0.883 | 71% | 0.705 | S | S | * | * | trans | -99.6 | 66.4 | 164.9 | -75.3 | -169 | 157.9 | 0 | 0 | 111.2 | ||||
| 57 | N | 27.7 | Very low | 30.7 | Very low | 156 Ų | 156 | 142.2 Ų | 142.2 | 83% | 0.834 | 73% | 0.729 | S | S | * | * | S | Bend | trans | 178.2 | 95.9 | 151.2 | -107.4 | -36.5 | 0 | 0 | 0 | 110.8 | ||
| 58 | R | 26.5 | Very low | 30.2 | Very low | 216 Ų | 216 | 150.7 Ų | 150.7 | 82% | 0.815 | 77% | 0.765 | S | S | * | * | trans | 171.3 | 81.7 | 139.1 | -94.6 | 178.7 | -150.4 | -146.4 | 10.1 | 108.9 | Y60 | R58-Y60 HydrophobicContact CG-CE2 4.35Å; R58-Y60 PolarHBondContact O-N 3.31Å | ||
| 59 | T | 28.7 | Very low | 29.9 | Very low | 138 Ų | 138 | 157.6 Ų | 157.6 | 85% | 0.847 | 78% | 0.783 | S | S | * | * | trans | -75.4 | 113 | 163.4 | -56.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 60 | Y | 26.8 | Very low | 29.9 | Very low | 190 Ų | 190 | 154.2 Ų | 154.2 | 75% | 0.745 | 78% | 0.78 | S | S | * | * | trans | -120.8 | 129.7 | 155.9 | -74 | -79.2 | 0 | 0 | 0 | 108.1 | R58 M62 | R58-Y60 HydrophobicContact CG-CE2 4.35Å; R58-Y60 PolarHBondContact O-N 3.31Å; Y60-M62 PolarHBondContact O-N 3.28Å | ||
| 61 | P | 30.1 | Very low | 30.2 | Very low | 127 Ų | 127 | 156.9 Ų | 156.9 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | trans | -81.2 | 109.1 | 174.5 | 31.8 | -28.4 | 0 | 0 | 0 | 108.3 | ||||
| 62 | M | 29.6 | Very low | 30.3 | Very low | 166 Ų | 166 | 158.6 Ų | 158.6 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -108.6 | 115.6 | 168.4 | -165.5 | -179.8 | -89.9 | 0 | 0 | 109 | Y60 I64 | Y60-M62 PolarHBondContact O-N 3.28Å; M62-I64 PolarHBondContact O-N 2.71Å | ||
| 63 | H | 26.2 | Very low | 30.4 | Very low | 186 Ų | 186 | 165.1 Ų | 165.1 | 86% | 0.861 | 80% | 0.804 | S | S | * | * | trans | -66.2 | 114 | 175.6 | -137.3 | -81.5 | 0 | 0 | 0 | 108.8 | ||||
| 64 | I | 33.1 | Very low | 30.7 | Very low | 122 Ų | 122 | 162.7 Ų | 162.7 | 63% | 0.626 | 80% | 0.798 | S | S | * | * | trans | -108.1 | 110.9 | 175.4 | -60.4 | 175 | 0 | 0 | 0 | 108.5 | M62 | M62-I64 PolarHBondContact O-N 2.71Š| ||
| 65 | Q | 28.6 | Very low | 30.8 | Very low | 172 Ų | 172 | 158 Ų | 158 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | -72.8 | 116.6 | 163.8 | -81.5 | 176.4 | -10.7 | 0 | 0 | 108.8 | V67 | Q65-V67 PolarHBondContact O-N 3.19Š| ||
| 66 | T | 37.9 | Very low | 31.1 | Very low | 125 Ų | 125 | 160.6 Ų | 160.6 | 77% | 0.767 | 79% | 0.791 | S | S | * | * | trans | -84.8 | 102 | 170.3 | 51.2 | 0 | 0 | 0 | 0 | 109.5 | F68 | T66-F68 VanDerWaalsContact C-N 3.31Å; T66-F68 PolarHBondContact O-N 3.2Å | ||
| 67 | V | 29.3 | Very low | 31.2 | Very low | 122 Ų | 122 | 159.2 Ų | 159.2 | 74% | 0.739 | 79% | 0.79 | S | S | * | * | trans | -84.3 | 80.2 | 163 | 177.8 | 0 | 0 | 0 | 0 | 107.9 | Q65 | Q65-V67 PolarHBondContact O-N 3.19Š| ||
| 68 | F | 33.4 | Very low | 31.7 | Very low | 197 Ų | 197 | 160.2 Ų | 160.2 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | trans | -132.2 | 90.4 | 153.2 | -87.7 | -79.6 | 0 | 0 | 0 | 105.8 | T66 I70 | T66-F68 VanDerWaalsContact C-N 3.31Å; T66-F68 PolarHBondContact O-N 3.2Å; F68-I70 PolarHBondContact O-N 3.34Å | ||
| 69 | R | 30 | Very low | 32 | Very low | 210 Ų | 210 | 159.1 Ų | 159.1 | 79% | 0.792 | 79% | 0.794 | S | S | * | * | trans | -73.9 | 112 | 163.2 | -70.8 | -173.4 | 178.9 | 172.2 | -0.9 | 106.5 | D71 | R69-D71 PolarHBondContact O-N 3.07Š| ||
| 70 | I | 36.8 | Very low | 32.5 | Very low | 159 Ų | 159 | 157.1 Ų | 157.1 | 82% | 0.815 | 79% | 0.786 | S | S | * | * | trans | -74 | 92.5 | 150.1 | -65.8 | 166.5 | 0 | 0 | 0 | 102.7 | F68 D72 | F68-I70 PolarHBondContact O-N 3.34Å; I70-D72 PolarHBondContact O-N 3.31Å | ||
| 71 | D | 35.5 | Very low | 32.8 | Very low | 110 Ų | 110 | 155.5 Ų | 155.5 | 59% | 0.588 | 79% | 0.79 | S | S | * | * | trans | -65.4 | 116.9 | 173 | -76.6 | -40.9 | 0 | 0 | 0 | 107.6 | R69 Y73 | R69-D71 PolarHBondContact O-N 3.07Å; D71-Y73 PolarHBondContact O-N 3.09Å | ||
| 72 | D | 29.9 | Very low | 33.3 | Very low | 147 Ų | 147 | 157.6 Ų | 157.6 | 79% | 0.786 | 79% | 0.792 | S | S | * | * | trans | -50.6 | 105.3 | 165.6 | -72.6 | -50.3 | 0 | 0 | 0 | 109.7 | I70 S74 | I70-D72 PolarHBondContact O-N 3.31Å; D72-S74 PolarHBondContact O-N 3.19Å | ||
| 73 | Y | 33.5 | Very low | 33.8 | Very low | 225 Ų | 225 | 154.6 Ų | 154.6 | 88% | 0.882 | 79% | 0.788 | S | S | * | * | trans | -75.9 | 76.9 | 160.1 | -96.3 | -88.8 | 0 | 0 | 0 | 108.7 | D71 | D71-Y73 PolarHBondContact O-N 3.09Š| ||
| 74 | S | 32 | Very low | 34.3 | Very low | 99 Ų | 99 | 152 Ų | 152 | 69% | 0.692 | 78% | 0.78 | S | S | * | * | trans | -91.6 | 138.3 | 156.9 | 67.5 | 0 | 0 | 0 | 0 | 109.4 | D72 | D72-S74 PolarHBondContact O-N 3.19Š| ||
| 75 | A | 31.8 | Very low | 34.6 | Very low | 90 Ų | 90 | 152.4 Ų | 152.4 | 74% | 0.744 | 78% | 0.783 | S | S | * | * | trans | 82.9 | 83.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 76 | Y | 36.7 | Very low | 35 | Very low | 226 Ų | 226 | 151.9 Ų | 151.9 | 89% | 0.886 | 79% | 0.786 | S | S | * | * | -125.1 | 115.4 | 127.5 | -95.9 | -83.2 | 0 | 0 | 0 | 108.4 | Q78 | Y76-Q78 PolarHBondContact O-N 2.83Š| |||
| 77 | D | 31.2 | Very low | 35.4 | Very low | 161 Ų | 161 | 151.9 Ų | 151.9 | 86% | 0.861 | 78% | 0.782 | S | S | * | * | trans | -56.4 | 118.7 | 161.7 | -75.9 | -46.3 | 0 | 0 | 0 | 109.1 | ||||
| 78 | Q | 38.5 | Very low | 36.3 | Very low | 176 Ų | 176 | 155.2 Ų | 155.2 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | trans | -142.8 | 84.5 | 152 | -159.9 | 155.3 | 13.8 | 0 | 0 | 108.9 | Y76 S80 | Y76-Q78 PolarHBondContact O-N 2.83Å; Q78-S80 PolarHBondContact O-N 2.89Å; Q78-S80 VanDerWaalsContact O-N 3.14Å | ||
| 79 | E | 32.5 | Very low | 37.2 | Very low | 194 Ų | 194 | 150.3 Ų | 150.3 | 91% | 0.907 | 78% | 0.776 | S | S | * | * | trans | -47.6 | 111 | 157.4 | -162.4 | 157.5 | -161.3 | 0 | 0 | 108.7 | ||||
| 80 | S | 38.5 | Very low | 38.4 | Very low | 96 Ų | 96 | 146.1 Ų | 146.1 | 67% | 0.671 | 77% | 0.769 | S | S | * | * | trans | -152.4 | 98.3 | 161.4 | 49 | 0 | 0 | 0 | 0 | 109.4 | Q78 | Q78-S80 PolarHBondContact O-N 2.89Å; Q78-S80 VanDerWaalsContact O-N 3.14Å | ||
| 81 | D | 34.1 | Very low | 39.2 | Very low | 155 Ų | 155 | 145.5 Ų | 145.5 | 83% | 0.829 | 76% | 0.763 | S | S | * | * | trans | 18.2 | 123.9 | 145 | -64.8 | -41.3 | 0 | 0 | 0 | 119.5 | S83 | D81-S83 PolarHBondContact O-N 3.27Š| ||
| 82 | I | 39.7 | Very low | 40.1 | Very low | 172 Ų | 172 | 145.5 Ų | 145.5 | 88% | 0.882 | 76% | 0.761 | S | S | * | * | trans | -44.9 | 116.7 | 154.2 | -64.2 | 156.4 | 0 | 0 | 0 | 109.9 | ||||
| 83 | S | 40.8 | Very low | 41.6 | Very low | 103 Ų | 103 | 145.3 Ų | 145.3 | 72% | 0.72 | 76% | 0.759 | S | S | * | * | trans | -143.5 | 123.1 | 152.1 | 171.9 | 0 | 0 | 0 | 0 | 109.2 | D81 | D81-S83 PolarHBondContact O-N 3.27Š| ||
| 84 | D | 36.7 | Very low | 43.3 | Very low | 130 Ų | 130 | 138.6 Ų | 138.6 | 70% | 0.695 | 74% | 0.743 | S | S | * | * | trans | -41.5 | 148.5 | 163.8 | -60.5 | -60.6 | 0 | 0 | 0 | 113.1 | ||||
| 85 | N | 38.5 | Very low | 45.4 | Very low | 131 Ų | 131 | 138.5 Ų | 138.5 | 70% | 0.701 | 73% | 0.734 | S | S | * | * | trans | 164.8 | 93.3 | 131.7 | -77 | -27 | 0 | 0 | 0 | 112.9 | N87 | N85-N87 VanDerWaalsContact C-N 3.31Å; N85-N87 PolarHBondContact O-N 3.35Å | ||
| 86 | N | 38.5 | Very low | 47.8 | Very low | 161 Ų | 161 | 140.6 Ų | 140.6 | 86% | 0.861 | 72% | 0.724 | S | S | * | * | 32.9 | 25.1 | 123.9 | -72.4 | -12.4 | 0 | 0 | 0 | 123.5 | |||||
| 87 | N | 45.2 | Very low | 50 | Low | 126 Ų | 126 | 134.2 Ų | 134.2 | 67% | 0.674 | 71% | 0.711 | S | S | * | * | trans | -119.5 | 27.2 | -179 | -74.2 | -18.7 | 0 | 0 | 0 | 115.8 | N85 S89 | N85-N87 VanDerWaalsContact C-N 3.31Å; N85-N87 PolarHBondContact O-N 3.35Å; N87-S89 VanDerWaalsContact C-N 3.32Å; N87-S89 PolarHBondContact O-N 3.37Å | ||
| 88 | K | 48.1 | Very low | 52.5 | Low | 191 Ų | 191 | 130 Ų | 130 | 83% | 0.83 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | 2.3 | -178.7 | -123.8 | 162.5 | -175.7 | 166 | 0 | 115.4 | ||
| 89 | S | 53.5 | Low | 54.9 | Low | 95 Ų | 95 | 125.6 Ų | 125.6 | 66% | 0.664 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | -11 | -178.5 | 56.9 | 0 | 0 | 0 | 0 | 115.2 | N87 | N87-S89 VanDerWaalsContact C-N 3.32Å; N87-S89 PolarHBondContact O-N 3.37Å |
| 90 | N | 54.5 | Low | 57.5 | Low | 121 Ų | 121 | 122.1 Ų | 122.1 | 65% | 0.647 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -102.7 | -1.3 | -171.8 | -64.8 | -17 | 0 | 0 | 0 | 114.6 | ||
| 91 | Q | 53 | Low | 60.1 | Low | 147 Ų | 147 | 118.8 Ų | 118.8 | 69% | 0.687 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -87 | -11.5 | -175.4 | -142.7 | 173 | 12 | 0 | 0 | 113.8 | ||
| 92 | M | 55 | Low | 62.8 | Low | 110 Ų | 110 | 116.3 Ų | 116.3 | 54% | 0.542 | 63% | 0.627 | S | S | . | * | S | Bend | trans | -87.6 | -22.9 | -179.1 | -67.3 | 177 | 80.8 | 0 | 0 | 113.8 | I95 Y96 | M92-I95 PolarHBondContact O-N 3.41Å; M92-Y96 HydrophobicContact CB-CD2 4.38Å; M92-Y96 HydrophobicContact CB-CE2 3.99Å; M92-Y96 HydrophobicContact CE-CE2 4.14Å; M92-Y96 WeakPolarHBondContact O-CD2 3.33Å; M92-Y96 PolarHBondContact O-N 2.83Å |
| 93 | L | 60.8 | Low | 65.3 | Low | 143 Ų | 143 | 112 Ų | 112 | 75% | 0.749 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -62.1 | -44.5 | -176.3 | -155.3 | 75.6 | 0 | 0 | 0 | 114.9 | I95 Y96 C97 | L93-I95 VanDerWaalsContact C-N 3.27Å; L93-I95 PolarHBondContact O-N 3.49Å; L93-Y96 PolarHBondContact O-N 3.37Å; L93-C97 PolarHBondContact O-N 3.2Å |
| 94 | P | 70.4 | Confident | 67.8 | Low | 83 Ų | 83 | 112 Ų | 112 | 54% | 0.539 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -69 | -26.5 | 178.9 | 24.4 | -31.6 | 0 | 0 | 0 | 113 | C97 S98 | P94-C97 PolarHBondContact O-N 3.32Å; P94-S98 PolarHBondContact O-N 3.1Å |
| 95 | I | 76 | Confident | 70.5 | Confident | 97 Ų | 97 | 110.7 Ų | 110.7 | 50% | 0.497 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -69.4 | -44.3 | 179.1 | -60.5 | 169.2 | 0 | 0 | 0 | 110.1 | M92 L93 C97 S98 I99 | M92-I95 PolarHBondContact O-N 3.41Å; L93-I95 VanDerWaalsContact C-N 3.27Å; L93-I95 PolarHBondContact O-N 3.49Å; I95-C97 PolarHBondContact O-N 3.31Å; I95-S98 PolarHBondContact O-N 2.84Å; I95-I99 HydrophobicContact CG2-CD1 3.82Å; I95-I99 WeakPolarHBondContact O-CG1 3.49Å; I95-I99 PolarHBondContact O-N 3.48Å |
| 96 | Y | 80.8 | Confident | 73.1 | Confident | 135 Ų | 135 | 108 Ų | 108 | 53% | 0.529 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -65.1 | -38.1 | 174.8 | -71.1 | -68.8 | 0 | 0 | 0 | 112.6 | M92 L93 S98 I99 M100 | M92-Y96 HydrophobicContact CB-CD2 4.38Å; M92-Y96 HydrophobicContact CB-CE2 3.99Å; M92-Y96 HydrophobicContact CE-CE2 4.14Å; M92-Y96 WeakPolarHBondContact O-CD2 3.33Å; M92-Y96 PolarHBondContact O-N 2.83Å; L93-Y96 PolarHBondContact O-N 3.37Å; Y96-S98 VanDerWaalsContact C-N 3.32Å; Y96-S98 PolarHBondContact O-N 3.28Å; Y96-I99 PolarHBondContact O-N 3.49Å; Y96-M100 WeakPolarHBondContact O-CB 3.46Å; Y96-M100 VanDerWaalsContact O-CG 3.25Å; Y96-M100 WeakPolarHBondContact O-CG 3.29Å; Y96-M100 PolarHBondContact O-N 2.81Å |
| 97 | C | 82.7 | Confident | 75.6 | Confident | 92 Ų | 92 | 105.2 Ų | 105.2 | 62% | 0.622 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -61.7 | -41.4 | 175.5 | -170.6 | 0 | 0 | 0 | 0 | 111.5 | L93 P94 I95 G101 | L93-C97 PolarHBondContact O-N 3.2Å; P94-C97 PolarHBondContact O-N 3.32Å; I95-C97 PolarHBondContact O-N 3.31Å; C97-G101 PolarHBondContact O-N 3.34Å |
| 98 | S | 85.3 | Confident | 77.9 | Confident | 72 Ų | 72 | 104.3 Ų | 104.3 | 50% | 0.503 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -64.7 | -45.6 | 176 | -176.9 | 0 | 0 | 0 | 0 | 112.3 | P94 I95 Y96 G101 L102 | P94-S98 PolarHBondContact O-N 3.1Å; I95-S98 PolarHBondContact O-N 2.84Å; Y96-S98 VanDerWaalsContact C-N 3.32Å; Y96-S98 PolarHBondContact O-N 3.28Å; S98-G101 PolarHBondContact O-N 3.5Å; S98-L102 WeakPolarHBondContact O-CG 3.19Å; S98-L102 PolarHBondContact O-N 2.99Å |
| 99 | I | 88.1 | Confident | 80.1 | Confident | 83 Ų | 83 | 99.4 Ų | 99.4 | 43% | 0.426 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.4 | -45.7 | 179.3 | -67.1 | 161.8 | 0 | 0 | 0 | 111 | I95 Y96 G101 L102 I103 | I95-I99 HydrophobicContact CG2-CD1 3.82Å; I95-I99 WeakPolarHBondContact O-CG1 3.49Å; I95-I99 PolarHBondContact O-N 3.48Å; Y96-I99 PolarHBondContact O-N 3.49Å; I99-G101 VanDerWaalsContact C-N 3.31Å; I99-G101 PolarHBondContact O-N 2.92Å; I99-L102 PolarHBondContact O-N 2.86Å; I99-I103 HydrophobicContact CG2-CD1 4Å; I99-I103 WeakPolarHBondContact O-CG1 3.35Å; I99-I103 PolarHBondContact O-N 2.89Å |
| 100 | M | 87.8 | Confident | 82 | Confident | 121 Ų | 121 | 101.4 Ų | 101.4 | 60% | 0.596 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -63.8 | -38.1 | 176.9 | -68.9 | -63.7 | -115.8 | 0 | 0 | 111.6 | Y96 I103 I104 | Y96-M100 WeakPolarHBondContact O-CB 3.46Å; Y96-M100 VanDerWaalsContact O-CG 3.25Å; Y96-M100 WeakPolarHBondContact O-CG 3.29Å; Y96-M100 PolarHBondContact O-N 2.81Å; M100-I103 PolarHBondContact O-N 3.12Å; M100-I103 HydrophobicContact SD-CD1 4.31Å; M100-I104 WeakPolarHBondContact O-CD1 3.37Å; M100-I104 VanDerWaalsContact O-CG1 3.27Å; M100-I104 WeakPolarHBondContact O-CG1 3.48Å; M100-I104 PolarHBondContact O-N 3.24Å |
| 101 | G | 92.1 | Very high | 83.8 | Confident | 26 Ų | 26 | 99.3 Ų | 99.3 | 27% | 0.268 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.5 | -45.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | C97 S98 I99 I103 I104 I105 | C97-G101 PolarHBondContact O-N 3.34Å; S98-G101 PolarHBondContact O-N 3.5Å; I99-G101 VanDerWaalsContact C-N 3.31Å; I99-G101 PolarHBondContact O-N 2.92Å; G101-I103 VanDerWaalsContact C-N 3.34Å; G101-I103 PolarHBondContact O-N 2.93Å; G101-I104 PolarHBondContact O-N 3.37Å; G101-I105 WeakPolarHBondContact O-CD1 3.16Å; G101-I105 VanDerWaalsContact O-CG1 3.27Å; G101-I105 WeakPolarHBondContact O-CG1 3.39Å; G101-I105 PolarHBondContact O-N 3.37Å |
| 102 | L | 90.4 | Very high | 85.7 | Confident | 103 Ų | 103 | 96.9 Ų | 96.9 | 54% | 0.539 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64 | -37.9 | 177.2 | -74 | 174.9 | 0 | 0 | 0 | 112.6 | S98 I99 S106 | S98-L102 WeakPolarHBondContact O-CG 3.19Å; S98-L102 PolarHBondContact O-N 2.99Å; I99-L102 PolarHBondContact O-N 2.86Å; L102-S106 VanDerWaalsContact O-CB 3.28Å; L102-S106 WeakPolarHBondContact O-CB 3.5Å; L102-S106 PolarHBondContact O-N 2.86Å; L102-S106 PolarHBondContact O-OG 3.49Å |
| 103 | I | 93.6 | Very high | 87.5 | Confident | 83 Ų | 83 | 96.1 Ų | 96.1 | 43% | 0.426 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.2 | -45.4 | 175.6 | -66.7 | 164.1 | 0 | 0 | 0 | 110.4 | I99 M100 G101 S106 L107 | I99-I103 HydrophobicContact CG2-CD1 4Å; I99-I103 WeakPolarHBondContact O-CG1 3.35Å; I99-I103 PolarHBondContact O-N 2.89Å; M100-I103 PolarHBondContact O-N 3.12Å; M100-I103 HydrophobicContact SD-CD1 4.31Å; G101-I103 VanDerWaalsContact C-N 3.34Å; G101-I103 PolarHBondContact O-N 2.93Å; I103-S106 PolarHBondContact O-N 2.9Å; I103-L107 HydrophobicContact CG2-CD1 4.06Å; I103-L107 WeakPolarHBondContact O-CG 3.02Å; I103-L107 PolarHBondContact O-N 3.21Å |
| 104 | I | 93.3 | Very high | 88.9 | Confident | 101 Ų | 101 | 94.5 Ų | 94.5 | 52% | 0.518 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.1 | -45.9 | 178.9 | -67.6 | 164.5 | 0 | 0 | 0 | 110.9 | M100 G101 S106 L107 L108 | M100-I104 WeakPolarHBondContact O-CD1 3.37Å; M100-I104 VanDerWaalsContact O-CG1 3.27Å; M100-I104 WeakPolarHBondContact O-CG1 3.48Å; M100-I104 PolarHBondContact O-N 3.24Å; G101-I104 PolarHBondContact O-N 3.37Å; I104-S106 VanDerWaalsContact C-N 3.34Å; I104-S106 PolarHBondContact O-N 3.33Å; I104-L107 PolarHBondContact O-N 2.91Å; I104-L108 HydrophobicContact CG2-CD1 4.08Å; I104-L108 PolarHBondContact O-N 2.88Å |
| 105 | I | 93.6 | Very high | 89.8 | Confident | 103 Ų | 103 | 95.5 Ų | 95.5 | 53% | 0.528 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.4 | -43.2 | 177.8 | -68.5 | 161.8 | 0 | 0 | 0 | 110.5 | G101 L107 L108 C109 | G101-I105 WeakPolarHBondContact O-CD1 3.16Å; G101-I105 VanDerWaalsContact O-CG1 3.27Å; G101-I105 WeakPolarHBondContact O-CG1 3.39Å; G101-I105 PolarHBondContact O-N 3.37Å; I105-L107 PolarHBondContact O-N 3.27Å; I105-L108 PolarHBondContact O-N 3.26Å; I105-C109 WeakPolarHBondContact O-CB 3.44Å; I105-C109 PolarHBondContact O-N 2.74Å |
| 106 | S | 91.4 | Very high | 90.5 | Very high | 76 Ų | 76 | 97.2 Ų | 97.2 | 53% | 0.531 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.7 | -41.2 | 177.7 | -59.8 | 0 | 0 | 0 | 0 | 112 | L102 I103 I104 C109 Y110 | L102-S106 VanDerWaalsContact O-CB 3.28Å; L102-S106 WeakPolarHBondContact O-CB 3.5Å; L102-S106 PolarHBondContact O-N 2.86Å; L102-S106 PolarHBondContact O-OG 3.49Å; I103-S106 PolarHBondContact O-N 2.9Å; I104-S106 VanDerWaalsContact C-N 3.34Å; I104-S106 PolarHBondContact O-N 3.33Å; S106-C109 PolarHBondContact O-N 3.42Å; S106-Y110 WeakPolarHBondContact O-CB 3.33Å; S106-Y110 PolarHBondContact O-N 3.43Å |
| 107 | L | 91.9 | Very high | 90.6 | Very high | 101 Ų | 101 | 98.2 Ų | 98.2 | 53% | 0.529 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.4 | -42.1 | 175.4 | -76.8 | 168.6 | 0 | 0 | 0 | 112.1 | I103 I104 I105 Y110 V111 | I103-L107 HydrophobicContact CG2-CD1 4.06Å; I103-L107 WeakPolarHBondContact O-CG 3.02Å; I103-L107 PolarHBondContact O-N 3.21Å; I104-L107 PolarHBondContact O-N 2.91Å; I105-L107 PolarHBondContact O-N 3.27Å; L107-Y110 PolarHBondContact O-N 3.19Å; L107-V111 WeakPolarHBondContact O-CG2 3.34Å; L107-V111 PolarHBondContact O-N 2.76Å |
| 108 | L | 93 | Very high | 90.4 | Very high | 108 Ų | 108 | 99.3 Ų | 99.3 | 57% | 0.565 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.6 | -46.4 | 175.3 | -79.5 | 165.6 | 0 | 0 | 0 | 111.3 | I104 I105 Y110 V111 V112 | I104-L108 HydrophobicContact CG2-CD1 4.08Å; I104-L108 PolarHBondContact O-N 2.88Å; I105-L108 PolarHBondContact O-N 3.26Å; L108-Y110 VanDerWaalsContact C-N 3.3Å; L108-Y110 PolarHBondContact O-N 3.33Å; L108-V111 PolarHBondContact O-N 2.94Å; L108-V112 WeakPolarHBondContact O-CG2 3.41Å; L108-V112 PolarHBondContact O-N 3.33Å |
| 109 | C | 94 | Very high | 90.2 | Very high | 87 Ų | 87 | 103.5 Ų | 103.5 | 59% | 0.588 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -58.3 | -42.7 | 174.2 | -107.7 | 0 | 0 | 0 | 0 | 111.6 | I105 S106 V112 Y113 | I105-C109 WeakPolarHBondContact O-CB 3.44Å; I105-C109 PolarHBondContact O-N 2.74Å; S106-C109 PolarHBondContact O-N 3.42Å; C109-V112 PolarHBondContact O-N 3.49Å; C109-Y113 VanDerWaalsContact O-CB 3.25Å; C109-Y113 WeakPolarHBondContact O-CB 3.35Å; C109-Y113 PolarHBondContact O-N 2.84Å |
| 110 | Y | 93.5 | Very high | 89.6 | Confident | 137 Ų | 137 | 103.3 Ų | 103.3 | 54% | 0.537 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64 | -41.8 | 177.7 | -179.8 | -104.8 | 0 | 0 | 0 | 112.7 | S106 L107 L108 Y113 K114 | S106-Y110 WeakPolarHBondContact O-CB 3.33Å; S106-Y110 PolarHBondContact O-N 3.43Å; L107-Y110 PolarHBondContact O-N 3.19Å; L108-Y110 VanDerWaalsContact C-N 3.3Å; L108-Y110 PolarHBondContact O-N 3.33Å; Y110-Y113 PolarHBondContact O-N 3.18Å; Y110-K114 HydrophobicContact CE1-CD 4.45Å; Y110-K114 VanDerWaalsContact O-CB 3.25Å; Y110-K114 WeakPolarHBondContact O-CB 3.18Å; Y110-K114 PolarHBondContact O-N 2.99Å |
| 111 | V | 93.4 | Very high | 88.5 | Confident | 77 Ų | 77 | 100.6 Ų | 100.6 | 47% | 0.467 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.3 | -43.9 | 176.4 | 175.9 | 0 | 0 | 0 | 0 | 111 | L107 L108 K114 L115 | L107-V111 WeakPolarHBondContact O-CG2 3.34Å; L107-V111 PolarHBondContact O-N 2.76Å; L108-V111 PolarHBondContact O-N 2.94Å; V111-K114 PolarHBondContact O-N 3.2Å; V111-L115 HydrophobicContact CG1-CD1 4.02Å; V111-L115 HydrophobicContact CG1-CG 4.45Å; V111-L115 WeakPolarHBondContact O-CB 3.27Å; V111-L115 WeakPolarHBondContact O-CG 3.41Å; V111-L115 PolarHBondContact O-N 3.24Å |
| 112 | V | 93.2 | Very high | 87.1 | Confident | 96 Ų | 96 | 102.4 Ų | 102.4 | 58% | 0.582 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.1 | -45.3 | 176.9 | 174.2 | 0 | 0 | 0 | 0 | 110.8 | L108 C109 K114 L115 W116 | L108-V112 WeakPolarHBondContact O-CG2 3.41Å; L108-V112 PolarHBondContact O-N 3.33Å; C109-V112 PolarHBondContact O-N 3.49Å; V112-K114 VanDerWaalsContact C-N 3.33Å; V112-K114 PolarHBondContact O-N 3.01Å; V112-L115 PolarHBondContact O-N 3.3Å; V112-W116 VanDerWaalsContact O-CB 3.28Å; V112-W116 WeakPolarHBondContact O-CB 3.18Å; V112-W116 PolarHBondContact O-N 3.38Å |
| 113 | Y | 92.9 | Very high | 85.5 | Confident | 94 Ų | 94 | 102.8 Ų | 102.8 | 37% | 0.369 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.7 | -43.3 | 175.3 | 175.4 | -98.4 | 0 | 0 | 0 | 111.6 | C109 Y110 W116 R117 | C109-Y113 VanDerWaalsContact O-CB 3.25Å; C109-Y113 WeakPolarHBondContact O-CB 3.35Å; C109-Y113 PolarHBondContact O-N 2.84Å; Y110-Y113 PolarHBondContact O-N 3.18Å; Y113-W116 HydrophobicContact CD2-CE3 4.44Å; Y113-W116 PolarHBondContact O-N 3.36Å; Y113-R117 WeakPolarHBondContact O-CB 3.43Å; Y113-R117 PolarHBondContact O-N 3.42Å |
| 114 | K | 89.6 | Confident | 83.6 | Confident | 109 Ų | 109 | 104 Ų | 104 | 47% | 0.474 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.8 | -42.9 | 177.5 | -172 | 174.8 | -178.6 | 178.2 | 0 | 112.1 | Y110 V111 V112 Q118 | Y110-K114 HydrophobicContact CE1-CD 4.45Å; Y110-K114 VanDerWaalsContact O-CB 3.25Å; Y110-K114 WeakPolarHBondContact O-CB 3.18Å; Y110-K114 PolarHBondContact O-N 2.99Å; V111-K114 PolarHBondContact O-N 3.2Å; V112-K114 VanDerWaalsContact C-N 3.33Å; V112-K114 PolarHBondContact O-N 3.01Å; K114-Q118 WeakPolarHBondContact O-CG 3.35Å; K114-Q118 PolarHBondContact O-N 2.73Å |
| 115 | L | 88.1 | Confident | 81.6 | Confident | 104 Ų | 104 | 101.7 Ų | 101.7 | 55% | 0.545 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.6 | -39.3 | 175.5 | -73.5 | 170.9 | 0 | 0 | 0 | 111.9 | V111 V112 Q118 R119 | V111-L115 HydrophobicContact CG1-CD1 4.02Å; V111-L115 HydrophobicContact CG1-CG 4.45Å; V111-L115 WeakPolarHBondContact O-CB 3.27Å; V111-L115 WeakPolarHBondContact O-CG 3.41Å; V111-L115 PolarHBondContact O-N 3.24Å; V112-L115 PolarHBondContact O-N 3.3Å; L115-Q118 PolarHBondContact O-N 3.03Å; L115-R119 WeakPolarHBondContact O-CB 3.48Å; L115-R119 PolarHBondContact O-N 3.34Å |
| 116 | W | 91.9 | Very high | 79.5 | Confident | 133 Ų | 133 | 105 Ų | 105 | 50% | 0.504 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.4 | -48.4 | 176.4 | -177.8 | 77.2 | 0 | 0 | 0 | 111 | V112 Y113 Q118 R119 E120 | V112-W116 VanDerWaalsContact O-CB 3.28Å; V112-W116 WeakPolarHBondContact O-CB 3.18Å; V112-W116 PolarHBondContact O-N 3.38Å; Y113-W116 HydrophobicContact CD2-CE3 4.44Å; Y113-W116 PolarHBondContact O-N 3.36Å; W116-Q118 VanDerWaalsContact C-N 3.33Å; W116-Q118 PolarHBondContact O-N 3.15Å; W116-R119 WeakPolarHBondContact O-CA 3.44Å; W116-R119 WeakPolarHBondContact O-CB 3.37Å; W116-R119 PolarHBondContact O-N 3.48Å; W116-E120 HydrophobicContact CD2-CG 4.45Å; W116-E120 WeakPolarHBondContact CH2-OE1 3.4Å; W116-E120 VanDerWaalsContact CZ2-CD 3.49Å; W116-E120 HydrophobicContact CZ2-CG 4.38Å; W116-E120 WeakPolarHBondContact CZ2-OE1 3.33Å; W116-E120 PolarHBondContact O-N 3.13Å |
| 117 | R | 82 | Confident | 77.4 | Confident | 156 Ų | 156 | 107 Ų | 107 | 59% | 0.589 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.4 | -37.9 | 176.9 | -166.5 | 171.2 | -178.3 | 176.6 | 0.3 | 112.8 | Y113 E120 A121 | Y113-R117 WeakPolarHBondContact O-CB 3.43Å; Y113-R117 PolarHBondContact O-N 3.42Å; R117-E120 PolarHBondContact O-N 3Å; R117-A121 PolarHBondContact O-N 3.48Å; R117-A121 VanDerWaalsContact O-N 3.16Å |
| 118 | Q | 79.7 | Confident | 75.2 | Confident | 116 Ų | 116 | 105 Ų | 105 | 54% | 0.542 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65 | -38.6 | 171.6 | -78.1 | -177.4 | -15.2 | 0 | 0 | 112.3 | K114 L115 W116 A121 S122 | K114-Q118 WeakPolarHBondContact O-CG 3.35Å; K114-Q118 PolarHBondContact O-N 2.73Å; L115-Q118 PolarHBondContact O-N 3.03Å; W116-Q118 VanDerWaalsContact C-N 3.33Å; W116-Q118 PolarHBondContact O-N 3.15Å; Q118-A121 PolarHBondContact O-N 2.96Å; Q118-S122 PolarHBondContact O-N 3.46Å |
| 119 | R | 80.4 | Confident | 72.9 | Confident | 160 Ų | 160 | 105.7 Ų | 105.7 | 60% | 0.604 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65.2 | -39.5 | 177.3 | -167.6 | 175.6 | -177.1 | 160.6 | -0.8 | 111.5 | L115 W116 S122 K123 | L115-R119 WeakPolarHBondContact O-CB 3.48Å; L115-R119 PolarHBondContact O-N 3.34Å; W116-R119 WeakPolarHBondContact O-CA 3.44Å; W116-R119 WeakPolarHBondContact O-CB 3.37Å; W116-R119 PolarHBondContact O-N 3.48Å; R119-S122 WeakPolarHBondContact CA-OG 3.22Å; R119-S122 PolarHBondContact O-N 3.13Å; R119-S122 PolarHBondContact O-OG 3.34Å; R119-K123 WeakPolarHBondContact O-CG 3.26Å; R119-K123 PolarHBondContact O-N 3.15Å; R119-K123 VanDerWaalsContact O-N 3.09Å |
| 120 | E | 75.9 | Confident | 70.7 | Confident | 79 Ų | 79 | 105.5 Ų | 105.5 | 37% | 0.369 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.2 | -43.2 | 175 | -62.5 | -156.9 | 142 | 0 | 0 | 112.3 | W116 R117 S122 K123 N124 | W116-E120 HydrophobicContact CD2-CG 4.45Å; W116-E120 WeakPolarHBondContact CH2-OE1 3.4Å; W116-E120 VanDerWaalsContact CZ2-CD 3.49Å; W116-E120 HydrophobicContact CZ2-CG 4.38Å; W116-E120 WeakPolarHBondContact CZ2-OE1 3.33Å; W116-E120 PolarHBondContact O-N 3.13Å; R117-E120 PolarHBondContact O-N 3Å; E120-S122 VanDerWaalsContact C-N 3.28Å; E120-S122 PolarHBondContact O-N 3.08Å; E120-K123 PolarHBondContact O-N 3.4Å; E120-N124 PolarHBondContact O-N 3.44Å |
| 121 | A | 65.4 | Low | 68.3 | Low | 63 Ų | 63 | 108.9 Ų | 108.9 | 52% | 0.521 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -59.8 | -38.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | R117 Q118 N124 A125 | R117-A121 PolarHBondContact O-N 3.48Å; R117-A121 VanDerWaalsContact O-N 3.16Å; Q118-A121 PolarHBondContact O-N 2.96Å; A121-N124 PolarHBondContact O-N 3.46Å; A121-A125 PolarHBondContact O-N 3.25Å |
| 122 | S | 61.5 | Low | 65.7 | Low | 64 Ų | 64 | 110.7 Ų | 110.7 | 45% | 0.448 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -71.7 | -30.7 | 178.8 | 72.8 | 0 | 0 | 0 | 0 | 114.2 | Q118 R119 E120 K126 | Q118-S122 PolarHBondContact O-N 3.46Å; R119-S122 WeakPolarHBondContact CA-OG 3.22Å; R119-S122 PolarHBondContact O-N 3.13Å; R119-S122 PolarHBondContact O-OG 3.34Å; E120-S122 VanDerWaalsContact C-N 3.28Å; E120-S122 PolarHBondContact O-N 3.08Å; S122-K126 PolarHBondContact O-N 2.94Å |
| 123 | K | 57.2 | Low | 63.2 | Low | 112 Ų | 112 | 109.9 Ų | 109.9 | 49% | 0.487 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -70.4 | -38.4 | 175.9 | -72.9 | 173.3 | 179.6 | 177.2 | 0 | 111 | R119 E120 K126 L127 | R119-K123 WeakPolarHBondContact O-CG 3.26Å; R119-K123 PolarHBondContact O-N 3.15Å; R119-K123 VanDerWaalsContact O-N 3.09Å; E120-K123 PolarHBondContact O-N 3.4Å; K123-K126 PolarHBondContact O-N 2.83Å; K123-L127 PolarHBondContact O-N 3.22Å |
| 124 | N | 54 | Low | 60.7 | Low | 109 Ų | 109 | 112.4 Ų | 112.4 | 58% | 0.583 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -72.3 | -32.2 | 179.3 | -64.6 | -15.3 | 0 | 0 | 0 | 112.3 | E120 A121 L127 A128 | E120-N124 PolarHBondContact O-N 3.44Å; A121-N124 PolarHBondContact O-N 3.46Å; N124-L127 PolarHBondContact O-N 3.12Å; N124-A128 PolarHBondContact O-N 2.88Å; N124-A128 VanDerWaalsContact O-N 3.11Å |
| 125 | A | 51.4 | Low | 58.2 | Low | 51 Ų | 51 | 116.1 Ų | 116.1 | 42% | 0.421 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -64.2 | -42.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | A121 L127 A128 D129 | A121-A125 PolarHBondContact O-N 3.25Å; A125-L127 VanDerWaalsContact C-N 3.28Å; A125-L127 PolarHBondContact O-N 3.02Å; A125-A128 PolarHBondContact O-N 3.35Å; A125-D129 PolarHBondContact O-N 3.21Å |
| 126 | K | 48.1 | Very low | 55.8 | Low | 174 Ų | 174 | 115.9 Ų | 115.9 | 76% | 0.757 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -67.8 | -23.6 | 178.4 | -86.8 | -173.7 | 172.4 | -175 | 0 | 114.4 | S122 K123 | S122-K126 PolarHBondContact O-N 2.94Å; K123-K126 PolarHBondContact O-N 2.83Å |
| 127 | L | 48 | Very low | 53.2 | Low | 118 Ų | 118 | 117.1 Ų | 117.1 | 62% | 0.618 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -84 | -32.7 | 174.7 | -81.6 | 152.5 | 0 | 0 | 0 | 112.1 | K123 N124 A125 S130 Y131 | K123-L127 PolarHBondContact O-N 3.22Å; N124-L127 PolarHBondContact O-N 3.12Å; A125-L127 VanDerWaalsContact C-N 3.28Å; A125-L127 PolarHBondContact O-N 3.02Å; L127-S130 PolarHBondContact O-N 3.43Å; L127-Y131 PolarHBondContact O-N 3.27Å |
| 128 | A | 45.8 | Very low | 51.2 | Low | 59 Ų | 59 | 117.7 Ų | 117.7 | 49% | 0.488 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -66.4 | -38.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | N124 A125 S130 Y131 N132 | N124-A128 PolarHBondContact O-N 2.88Å; N124-A128 VanDerWaalsContact O-N 3.11Å; A125-A128 PolarHBondContact O-N 3.35Å; A128-S130 VanDerWaalsContact C-N 3.3Å; A128-S130 PolarHBondContact O-N 3.14Å; A128-Y131 PolarHBondContact O-N 3.44Å; A128-N132 PolarHBondContact O-N 3.44Å |
| 129 | D | 45 | Very low | 49.1 | Very low | 122 Ų | 122 | 119.8 Ų | 119.8 | 65% | 0.652 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -68.2 | -30 | 176.5 | -66.9 | -26.4 | 0 | 0 | 0 | 112.2 | A125 | A125-D129 PolarHBondContact O-N 3.21Å |
| 130 | S | 48.4 | Very low | 46.8 | Very low | 82 Ų | 82 | 119.5 Ų | 119.5 | 57% | 0.573 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -80.1 | -23.8 | -180 | -163.9 | 0 | 0 | 0 | 0 | 113.7 | L127 A128 | L127-S130 PolarHBondContact O-N 3.43Å; A128-S130 VanDerWaalsContact C-N 3.3Å; A128-S130 PolarHBondContact O-N 3.14Å |
| 131 | Y | 41.6 | Very low | 44.8 | Very low | 208 Ų | 208 | 125.5 Ų | 125.5 | 82% | 0.816 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -89.2 | -18.8 | 178.7 | -120.4 | -92.9 | 0 | 0 | 0 | 113.3 | L127 A128 | L127-Y131 PolarHBondContact O-N 3.27Å; A128-Y131 PolarHBondContact O-N 3.44Å |
| 132 | N | 40 | Very low | 43 | Very low | 116 Ų | 116 | 129 Ų | 129 | 62% | 0.62 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -93.9 | -8.8 | 179 | -140.3 | 10.1 | 0 | 0 | 0 | 113.8 | A128 N134 | A128-N132 PolarHBondContact O-N 3.44Å; N132-N134 VanDerWaalsContact C-N 3.27Å; N132-N134 PolarHBondContact O-N 3.14Å |
| 133 | S | 39.8 | Very low | 41.5 | Very low | 79 Ų | 79 | 130.9 Ų | 130.9 | 55% | 0.552 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | -9.2 | 178 | -166.2 | 0 | 0 | 0 | 0 | 114.4 | ||
| 134 | N | 40.8 | Very low | 40.2 | Very low | 146 Ų | 146 | 131.6 Ų | 131.6 | 78% | 0.781 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.9 | 9.4 | -176.1 | -72.7 | -15.5 | 0 | 0 | 0 | 114.2 | N132 | N132-N134 VanDerWaalsContact C-N 3.27Å; N132-N134 PolarHBondContact O-N 3.14Å |
| 135 | K | 37.8 | Very low | 38.9 | Very low | 188 Ų | 188 | 133.9 Ų | 133.9 | 82% | 0.817 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -129.7 | 5.6 | -175.7 | -137.3 | 174.3 | -176.4 | 174.2 | 0 | 116 | ||
| 136 | T | 37.9 | Very low | 37.9 | Very low | 98 Ų | 98 | 138.8 Ų | 138.8 | 60% | 0.601 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -111 | 1.8 | 179.5 | 49.9 | 0 | 0 | 0 | 0 | 115 | L138 | T136-L138 PolarHBondContact O-N 3.14Š|
| 137 | D | 37.2 | Very low | 37.1 | Very low | 159 Ų | 159 | 135.8 Ų | 135.8 | 85% | 0.85 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | 19.2 | -169.8 | -127.3 | 6.9 | 0 | 0 | 0 | 115.5 | ||
| 138 | L | 38.4 | Very low | 36.4 | Very low | 169 Ų | 169 | 137.3 Ų | 137.3 | 89% | 0.885 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.5 | 3.7 | -177 | -132 | 146.4 | 0 | 0 | 0 | 114.8 | T136 | T136-L138 PolarHBondContact O-N 3.14Š|
| 139 | L | 35.5 | Very low | 35.8 | Very low | 159 Ų | 159 | 142.7 Ų | 142.7 | 83% | 0.832 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -131.6 | 1.4 | -179.2 | -85.3 | 157 | 0 | 0 | 0 | 115.1 | R141 | L139-R141 PolarHBondContact O-N 3.48Å; L139-R141 VanDerWaalsContact O-N 3.17Å |
| 140 | D | 32.8 | Very low | 35.3 | Very low | 155 Ų | 155 | 142.2 Ų | 142.2 | 83% | 0.829 | 75% | 0.751 | S | S | * | * | trans | -90.1 | 83.4 | 170.4 | -123 | -6.9 | 0 | 0 | 0 | 111.2 | T142 | D140-T142 PolarHBondContact O-N 2.69Š| ||
| 141 | R | 34.6 | Very low | 34.5 | Very low | 205 Ų | 205 | 146.2 Ų | 146.2 | 77% | 0.774 | 76% | 0.761 | S | S | * | * | trans | -8.4 | 108.6 | 145.2 | -66.5 | 160.6 | 84.3 | 127.8 | -0.9 | 112 | L139 S143 | L139-R141 PolarHBondContact O-N 3.48Å; L139-R141 VanDerWaalsContact O-N 3.17Å; R141-S143 PolarHBondContact O-N 3.08Å; R141-S143 VanDerWaalsContact O-N 3.09Å | ||
| 142 | T | 27.6 | Very low | 34.1 | Very low | 135 Ų | 135 | 146 Ų | 146 | 83% | 0.828 | 77% | 0.767 | S | S | * | * | 35.3 | 66.8 | 99.3 | 66.9 | 0 | 0 | 0 | 0 | 114.3 | D140 | D140-T142 PolarHBondContact O-N 2.69Š| |||
| 143 | S | 28.7 | Very low | 33.6 | Very low | 105 Ų | 105 | 150.6 Ų | 150.6 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | trans | -176.5 | 85.7 | 152.9 | 54.1 | 0 | 0 | 0 | 0 | 112.9 | R141 | R141-S143 PolarHBondContact O-N 3.08Å; R141-S143 VanDerWaalsContact O-N 3.09Å | ||
| 144 | C | 29.8 | Very low | 33.2 | Very low | 126 Ų | 126 | 156.9 Ų | 156.9 | 85% | 0.851 | 79% | 0.787 | S | S | * | * | trans | -175.3 | 86.1 | 136.9 | 46 | 0 | 0 | 0 | 0 | 108.4 | D146 | C144-D146 PolarHBondContact O-N 2.84Š| ||
| 145 | L | 28.3 | Very low | 33 | Very low | 158 Ų | 158 | 157.5 Ų | 157.5 | 83% | 0.827 | 79% | 0.789 | S | S | * | * | trans | -66.1 | 105.9 | 156.8 | -160.4 | 88 | 0 | 0 | 0 | 106.2 | ||||
| 146 | D | 30.6 | Very low | 32.5 | Very low | 153 Ų | 153 | 153.8 Ų | 153.8 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | -116.7 | 93.7 | 161.8 | -150.3 | -6.2 | 0 | 0 | 0 | 108.2 | C144 | C144-D146 PolarHBondContact O-N 2.84Š| ||
| 147 | N | 30.2 | Very low | 32.1 | Very low | 111 Ų | 111 | 154.7 Ų | 154.7 | 59% | 0.594 | 80% | 0.796 | S | S | * | * | trans | -79.8 | 116.9 | 163.7 | -80.2 | -46.1 | 0 | 0 | 0 | 106.9 | ||||
| 148 | N | 32.8 | Very low | 31.8 | Very low | 150 Ų | 150 | 150.3 Ų | 150.3 | 80% | 0.802 | 79% | 0.789 | S | S | * | * | 161.4 | 110.4 | 121.9 | -80.5 | -41.2 | 0 | 0 | 0 | 111.1 | |||||
| 149 | H | 32.8 | Very low | 31.4 | Very low | 173 Ų | 173 | 152 Ų | 152 | 80% | 0.801 | 79% | 0.789 | S | S | * | * | -149.2 | 98 | 129.3 | -155.9 | -80.1 | 0 | 0 | 0 | 111.6 | |||||
| 150 | L | 35.5 | Very low | 31.2 | Very low | 111 Ų | 111 | 149.3 Ų | 149.3 | 58% | 0.581 | 78% | 0.779 | S | S | * | * | trans | 26.5 | 116.4 | 140.6 | -76.1 | 119.8 | 0 | 0 | 0 | 120.3 | ||||
| 151 | Q | 31.7 | Very low | 31.2 | Very low | 167 Ų | 167 | 148.4 Ų | 148.4 | 78% | 0.78 | 77% | 0.774 | S | S | * | * | 54.6 | 103.3 | 120.4 | -58.3 | -166.7 | 23.5 | 0 | 0 | 118.8 | |||||
| 152 | H | 34.2 | Very low | 31 | Very low | 204 Ų | 204 | 145.7 Ų | 145.7 | 94% | 0.944 | 78% | 0.776 | S | S | * | * | -145 | 124.4 | 125.6 | -113.4 | -85.4 | 0 | 0 | 0 | 110.7 | |||||
| 153 | R | 28.6 | Very low | 31 | Very low | 211 Ų | 211 | 145.3 Ų | 145.3 | 80% | 0.796 | 78% | 0.778 | S | S | * | * | trans | -102.3 | 153.2 | -174.6 | -171.2 | -171.5 | -170.1 | -176.2 | 4.7 | 109.8 | ||||
| 154 | R | 32 | Very low | 31.2 | Very low | 212 Ų | 212 | 144.9 Ų | 144.9 | 80% | 0.8 | 78% | 0.781 | S | S | * | * | trans | 87.7 | 137.4 | 167.2 | -50.1 | -175.9 | 177.4 | 159.6 | -0 | 113.2 | ||||
| 155 | I | 35.3 | Very low | 31.3 | Very low | 159 Ų | 159 | 147.7 Ų | 147.7 | 82% | 0.815 | 78% | 0.782 | S | S | * | * | cis | -156.3 | 138.7 | 33.4 | -43 | 156.7 | 0 | 0 | 0 | 110.1 | ||||
| 156 | S | 27.6 | Very low | 31.4 | Very low | 110 Ų | 110 | 147.3 Ų | 147.3 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | trans | 30.1 | 147.6 | 138.4 | -144.6 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 157 | S | 29.7 | Very low | 31.6 | Very low | 116 Ų | 116 | 145 Ų | 145 | 81% | 0.811 | 77% | 0.773 | S | S | * | * | cis | -177.1 | 157.6 | 12.1 | 20.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 158 | G | 30.2 | Very low | 31.5 | Very low | 67 Ų | 67 | 146 Ų | 146 | 69% | 0.691 | 78% | 0.778 | S | S | * | * | trans | 135.3 | 101 | 149.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 159 | F | 30.2 | Very low | 31.4 | Very low | 204 Ų | 204 | 146.4 Ų | 146.4 | 90% | 0.895 | 78% | 0.775 | S | S | * | * | 67.4 | 124.5 | 99.8 | -120.6 | -115 | 0 | 0 | 0 | 112 | |||||
| 160 | V | 32 | Very low | 31.2 | Very low | 103 Ų | 103 | 143.3 Ų | 143.3 | 62% | 0.624 | 77% | 0.773 | S | S | * | * | cis | -164.6 | 142.3 | 18.3 | -140 | 0 | 0 | 0 | 0 | 104.3 | ||||
| 161 | N | 32 | Very low | 31.1 | Very low | 136 Ų | 136 | 144.5 Ų | 144.5 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | -178.7 | 138.8 | 86.4 | -104.5 | -17.6 | 0 | 0 | 0 | 111.7 | |||||
| 162 | N | 31.2 | Very low | 31 | Very low | 149 Ų | 149 | 145.1 Ų | 145.1 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | trans | 66.4 | 102 | 148.4 | -67.3 | -4.1 | 0 | 0 | 0 | 122.2 | ||||
| 163 | S | 28.1 | Very low | 30.5 | Very low | 126 Ų | 126 | 140.1 Ų | 140.1 | 88% | 0.881 | 78% | 0.778 | S | S | * | * | trans | -37.6 | 133.1 | 144.4 | -47.9 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 164 | A | 32.8 | Very low | 30.4 | Very low | 97 Ų | 97 | 134.1 Ų | 134.1 | 80% | 0.802 | 77% | 0.774 | S | S | * | * | trans | -157.8 | 108.8 | 135 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 165 | H | 32.4 | Very low | 30.3 | Very low | 185 Ų | 185 | 132.1 Ų | 132.1 | 86% | 0.856 | 78% | 0.779 | S | S | * | * | trans | 57.1 | 131.1 | 146.2 | -163 | -83.4 | 0 | 0 | 0 | 121.9 | ||||
| 166 | L | 30 | Very low | 30 | Very low | 149 Ų | 149 | 132.8 Ų | 132.8 | 78% | 0.78 | 78% | 0.778 | S | S | * | * | trans | -59.6 | 170.1 | 176.1 | -112.9 | 65.9 | 0 | 0 | 0 | 115.6 | ||||
| 167 | P | 35.1 | Very low | 30.3 | Very low | 104 Ų | 104 | 135.9 Ų | 135.9 | 68% | 0.675 | 79% | 0.785 | S | S | * | * | trans | -96.5 | 158.2 | -158.6 | 38.8 | -35.6 | 0 | 0 | 0 | 113.2 | ||||
| 168 | N | 27.8 | Very low | 30.2 | Very low | 134 Ų | 134 | 136.2 Ų | 136.2 | 72% | 0.717 | 78% | 0.778 | S | S | * | * | trans | -170 | 134.3 | 151.1 | -110.7 | -14.3 | 0 | 0 | 0 | 115.1 | ||||
| 169 | H | 30 | Very low | 30.2 | Very low | 157 Ų | 157 | 139.5 Ų | 139.5 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | 79.7 | 109.7 | 149.2 | -52.9 | -50.5 | 0 | 0 | 0 | 122.2 | ||||
| 170 | S | 29.2 | Very low | 30 | Very low | 108 Ų | 108 | 136.8 Ų | 136.8 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | trans | 17.7 | 149 | 137.6 | -52.4 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 171 | P | 32.2 | Very low | 30 | Very low | 137 Ų | 137 | 136.4 Ų | 136.4 | 89% | 0.89 | 78% | 0.781 | S | S | * | * | trans | -120.6 | 119 | 136.3 | 33.1 | -19.8 | 0 | 0 | 0 | 110.6 | ||||
| 172 | Q | 29.3 | Very low | 29.7 | Very low | 179 Ų | 179 | 137.2 Ų | 137.2 | 84% | 0.836 | 79% | 0.785 | S | S | * | * | trans | -117 | 120.4 | 167.7 | -170.9 | 165 | -15.7 | 0 | 0 | 109.5 | ||||
| 173 | S | 25.5 | Very low | 29.7 | Very low | 100 Ų | 100 | 135.5 Ų | 135.5 | 70% | 0.699 | 79% | 0.785 | S | S | * | * | trans | 61 | 132.5 | 148.1 | 83.1 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 174 | A | 25.5 | Very low | 29.6 | Very low | 85 Ų | 85 | 135.1 Ų | 135.1 | 70% | 0.702 | 78% | 0.778 | S | S | * | * | 76.5 | 112.2 | 129.3 | 0 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 175 | N | 31 | Very low | 29.6 | Very low | 169 Ų | 169 | 135.7 Ų | 135.7 | 90% | 0.904 | 77% | 0.773 | S | S | * | * | trans | -133.5 | 112.6 | 133 | -89.7 | -24.1 | 0 | 0 | 0 | 108.2 | ||||
| 176 | E | 27.6 | Very low | 29.2 | Very low | 173 Ų | 173 | 133.9 Ų | 133.9 | 81% | 0.808 | 77% | 0.77 | S | S | * | * | trans | -67.1 | 140.9 | 156.6 | -74.7 | 175.6 | 137.2 | 0 | 0 | 109.3 | ||||
| 177 | L | 34 | Very low | 29.1 | Very low | 175 Ų | 175 | 133.3 Ų | 133.3 | 92% | 0.916 | 77% | 0.767 | S | S | * | * | trans | -143.6 | 108.2 | 153.3 | -112.4 | 159.3 | 0 | 0 | 0 | 108 | ||||
| 178 | N | 28 | Very low | 28.6 | Very low | 124 Ų | 124 | 135.3 Ų | 135.3 | 66% | 0.663 | 77% | 0.772 | S | S | * | * | trans | -62.4 | 138.3 | 169.1 | -67.9 | -47.5 | 0 | 0 | 0 | 110.9 | ||||
| 179 | N | 30.9 | Very low | 28.8 | Very low | 135 Ų | 135 | 136.6 Ų | 136.6 | 72% | 0.722 | 78% | 0.777 | S | S | * | * | 161.4 | 122 | 115.6 | -84.7 | -24.3 | 0 | 0 | 0 | 113.1 | |||||
| 180 | I | 25.5 | Very low | 28.7 | Very low | 147 Ų | 147 | 135.8 Ų | 135.8 | 75% | 0.754 | 78% | 0.778 | S | S | * | * | 56.2 | 106.7 | 128.8 | -50.2 | 165.1 | 0 | 0 | 0 | 117.5 | |||||
| 181 | A | 31.7 | Very low | 28.6 | Very low | 95 Ų | 95 | 138 Ų | 138 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | -159.6 | 117.7 | 129.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 182 | D | 25 | Very low | 28.3 | Very low | 154 Ų | 154 | 139.1 Ų | 139.1 | 82% | 0.824 | 78% | 0.775 | S | S | * | * | trans | -41.6 | 130.4 | 159.8 | -69.4 | -62.2 | 0 | 0 | 0 | 112.9 | ||||
| 183 | S | 32.5 | Very low | 28.2 | Very low | 112 Ų | 112 | 137.3 Ų | 137.3 | 78% | 0.783 | 77% | 0.771 | S | S | * | * | trans | -168.5 | 105 | 139.1 | 9.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 184 | T | 26.7 | Very low | 28.3 | Very low | 119 Ų | 119 | 139.3 Ų | 139.3 | 73% | 0.73 | 77% | 0.769 | S | S | * | * | trans | -40.6 | 130.2 | 161.5 | -39.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 185 | P | 31.3 | Very low | 28.3 | Very low | 108 Ų | 108 | 144.1 Ų | 144.1 | 70% | 0.701 | 77% | 0.774 | S | S | * | * | trans | -98.5 | 102.7 | 151.7 | 30 | -18.4 | 0 | 0 | 0 | 108.2 | N187 | P185-N187 VanDerWaalsContact C-N 3.35Å; P185-N187 PolarHBondContact O-N 3.21Å | ||
| 186 | D | 24.9 | Very low | 28.1 | Very low | 148 Ų | 148 | 142.1 Ų | 142.1 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | trans | -60.3 | 100.9 | 158.4 | -81.2 | -37.6 | 0 | 0 | 0 | 107.6 | ||||
| 187 | N | 27.4 | Very low | 27.9 | Very low | 137 Ų | 137 | 140.6 Ų | 140.6 | 73% | 0.733 | 76% | 0.761 | S | S | * | * | trans | -128.2 | 65.3 | 169.8 | -101.6 | -19.3 | 0 | 0 | 0 | 108.2 | P185 | P185-N187 VanDerWaalsContact C-N 3.35Å; P185-N187 PolarHBondContact O-N 3.21Å | ||
| 188 | D | 25.5 | Very low | 27.8 | Very low | 146 Ų | 146 | 140.2 Ų | 140.2 | 78% | 0.781 | 76% | 0.758 | S | S | * | * | trans | -99.2 | 78.2 | 161.6 | -89.2 | -29.9 | 0 | 0 | 0 | 109.3 | ||||
| 189 | I | 31.3 | Very low | 27.7 | Very low | 160 Ų | 160 | 140.8 Ų | 140.8 | 82% | 0.821 | 76% | 0.76 | S | S | * | * | trans | -129.4 | 64.4 | 152.7 | -52.8 | 179 | 0 | 0 | 0 | 106.2 | ||||
| 190 | N | 28.4 | Very low | 27.4 | Very low | 140 Ų | 140 | 145.6 Ų | 145.6 | 75% | 0.749 | 77% | 0.769 | S | S | * | * | trans | -91.3 | 117 | 165.1 | -91.3 | -38.2 | 0 | 0 | 0 | 108.9 | Q192 | N190-Q192 PolarHBondContact O-N 2.95Š| ||
| 191 | N | 26.5 | Very low | 27.4 | Very low | 155 Ų | 155 | 141.8 Ų | 141.8 | 83% | 0.829 | 77% | 0.766 | S | S | * | * | trans | -36.4 | 103.1 | 164.1 | -73.9 | -42.7 | 0 | 0 | 0 | 112.6 | ||||
| 192 | Q | 25.6 | Very low | 27 | Very low | 160 Ų | 160 | 146.6 Ų | 146.6 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | trans | -128.3 | 84.5 | 153.4 | -83.7 | -170.5 | 7.8 | 0 | 0 | 108.1 | N190 Q194 | N190-Q192 PolarHBondContact O-N 2.95Å; Q192-Q194 PolarHBondContact O-N 3.49Å | ||
| 193 | L | 28.5 | Very low | 27 | Very low | 141 Ų | 141 | 148.1 Ų | 148.1 | 74% | 0.738 | 78% | 0.775 | S | S | * | * | trans | -71.4 | 84.4 | 157.2 | -95.1 | 153.6 | 0 | 0 | 0 | 107.5 | F195 | L193-F195 HydrophobicContact CB-CE2 4.31Å; L193-F195 HydrophobicContact CD2-CE2 4.4Å; L193-F195 HydrophobicContact CD2-CZ 4.38Å; L193-F195 PolarHBondContact O-N 3.06Å | ||
| 194 | Q | 25.7 | Very low | 26.8 | Very low | 143 Ų | 143 | 152.9 Ų | 152.9 | 67% | 0.668 | 78% | 0.781 | S | S | * | * | trans | -64.1 | 113.7 | 158.4 | -79.9 | -178.8 | -8.8 | 0 | 0 | 108.1 | Q192 N196 | Q192-Q194 PolarHBondContact O-N 3.49Å; Q194-N196 PolarHBondContact O-N 3.03Å | ||
| 195 | F | 26.5 | Very low | 26.9 | Very low | 186 Ų | 186 | 151.5 Ų | 151.5 | 82% | 0.816 | 78% | 0.782 | S | S | * | * | trans | -89.4 | 97.8 | 162.8 | -78.8 | -82.7 | 0 | 0 | 0 | 108.2 | L193 | L193-F195 HydrophobicContact CB-CE2 4.31Å; L193-F195 HydrophobicContact CD2-CE2 4.4Å; L193-F195 HydrophobicContact CD2-CZ 4.38Å; L193-F195 PolarHBondContact O-N 3.06Å | ||
| 196 | N | 26.5 | Very low | 26.8 | Very low | 127 Ų | 127 | 151.7 Ų | 151.7 | 68% | 0.679 | 78% | 0.783 | S | S | * | * | trans | -94.9 | 122.2 | 163.1 | -85.9 | -10 | 0 | 0 | 0 | 109.3 | Q194 | Q194-N196 PolarHBondContact O-N 3.03Š| ||
| 197 | D | 24.4 | Very low | 27 | Very low | 140 Ų | 140 | 153.4 Ų | 153.4 | 75% | 0.749 | 79% | 0.791 | S | S | * | * | trans | 17.2 | 110.7 | 143.4 | -65.1 | -32.8 | 0 | 0 | 0 | 118.7 | ||||
| 198 | I | 30.1 | Very low | 27.4 | Very low | 168 Ų | 168 | 154.7 Ų | 154.7 | 86% | 0.862 | 80% | 0.797 | S | S | * | * | trans | -128.3 | 101.5 | 140.7 | -57 | 179.8 | 0 | 0 | 0 | 108 | ||||
| 199 | I | 26.6 | Very low | 27.5 | Very low | 136 Ų | 136 | 151 Ų | 151 | 70% | 0.697 | 79% | 0.794 | S | S | * | * | trans | -74.6 | 129.1 | 164.5 | -66.5 | 175.6 | 0 | 0 | 0 | 108 | ||||
| 200 | Y | 25.1 | Very low | 27.2 | Very low | 235 Ų | 235 | 153.1 Ų | 153.1 | 92% | 0.922 | 80% | 0.797 | S | S | * | * | trans | -170.3 | 121.2 | 135.5 | -122.1 | -90.1 | 0 | 0 | 0 | 110.5 | ||||
| 201 | G | 24.3 | Very low | 27.4 | Very low | 67 Ų | 67 | 153.6 Ų | 153.6 | 69% | 0.691 | 80% | 0.798 | S | S | * | * | trans | 126.7 | 73.9 | 162.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | E203 | G201-E203 PolarHBondContact O-N 3.21Š| ||
| 202 | H | 24.6 | Very low | 27.4 | Very low | 197 Ų | 197 | 152.9 Ų | 152.9 | 91% | 0.912 | 80% | 0.795 | S | S | * | * | trans | 15.6 | 99 | 143.7 | -109.4 | -72.8 | 0 | 0 | 0 | 119.1 | ||||
| 203 | E | 24.9 | Very low | 27.6 | Very low | 186 Ų | 186 | 154.1 Ų | 154.1 | 87% | 0.869 | 80% | 0.8 | S | S | * | * | trans | -173.2 | 153.5 | 134.8 | 48.2 | -162.9 | -179.9 | 0 | 0 | 112 | G201 A205 | G201-E203 PolarHBondContact O-N 3.21Å; E203-A205 PolarHBondContact O-N 3.35Å; E203-A205 VanDerWaalsContact O-N 3.13Å | ||
| 204 | K | 28 | Very low | 27.5 | Very low | 212 Ų | 212 | 151.1 Ų | 151.1 | 92% | 0.922 | 79% | 0.791 | S | S | * | * | trans | -61.9 | 106.7 | -159.3 | -63.9 | 169.7 | 177.7 | 175.5 | 0 | 112.8 | ||||
| 205 | A | 28.5 | Very low | 27.7 | Very low | 90 Ų | 90 | 152.2 Ų | 152.2 | 74% | 0.744 | 80% | 0.801 | S | S | * | * | trans | -64.4 | 131 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111 | E203 | E203-A205 PolarHBondContact O-N 3.35Å; E203-A205 VanDerWaalsContact O-N 3.13Å | ||
| 206 | P | 30.1 | Very low | 28.1 | Very low | 112 Ų | 112 | 146 Ų | 146 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | -70 | 135.4 | 164.5 | 3.9 | 10.4 | 0 | 0 | 0 | 109 | L208 | P206-L208 VanDerWaalsContact C-N 3.34Å; P206-L208 PolarHBondContact O-N 3.45Å | ||
| 207 | L | 28.8 | Very low | 28.6 | Very low | 183 Ų | 183 | 142.4 Ų | 142.4 | 96% | 0.958 | 77% | 0.766 | S | S | * | * | trans | -60.6 | 86.7 | 177.9 | -64.5 | 166 | 0 | 0 | 0 | 111.2 | ||||
| 208 | L | 35.5 | Very low | 29.2 | Very low | 165 Ų | 165 | 143.2 Ų | 143.2 | 86% | 0.864 | 76% | 0.763 | S | S | * | * | trans | -95.2 | 113.9 | 164.2 | -89.1 | 157.6 | 0 | 0 | 0 | 108.3 | P206 | P206-L208 VanDerWaalsContact C-N 3.34Å; P206-L208 PolarHBondContact O-N 3.45Å | ||
| 209 | G | 27.2 | Very low | 29.9 | Very low | 68 Ų | 68 | 141.2 Ų | 141.2 | 70% | 0.701 | 75% | 0.754 | S | S | * | * | trans | -56.3 | 148.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L211 | G209-L211 PolarHBondContact O-N 3.27Š| ||
| 210 | K | 25.9 | Very low | 31 | Very low | 205 Ų | 205 | 136.6 Ų | 136.6 | 89% | 0.891 | 73% | 0.731 | S | S | * | * | trans | -44.3 | 111.9 | 174 | -70 | 174.7 | 175.2 | 178.9 | 0 | 110 | D212 | K210-D212 PolarHBondContact O-N 3.43Š| ||
| 211 | L | 32.8 | Very low | 32.7 | Very low | 149 Ų | 149 | 129.1 Ų | 129.1 | 78% | 0.78 | 70% | 0.703 | S | S | * | * | trans | -80.7 | 103.8 | 173 | -160.4 | 85.3 | 0 | 0 | 0 | 107.7 | G209 H213 | G209-L211 PolarHBondContact O-N 3.27Å; L211-H213 PolarHBondContact O-N 3.33Å; L211-H213 PolarHBondContact O-ND1 3.41Å | ||
| 212 | D | 25.6 | Very low | 34.4 | Very low | 141 Ų | 141 | 132.8 Ų | 132.8 | 75% | 0.754 | 70% | 0.702 | S | S | * | * | trans | -58 | 119.7 | 172.6 | -73.3 | -38.5 | 0 | 0 | 0 | 109.7 | K210 S214 | K210-D212 PolarHBondContact O-N 3.43Å; D212-S214 PolarHBondContact O-N 3.08Å | ||
| 213 | H | 29.5 | Very low | 36.5 | Very low | 186 Ų | 186 | 125.7 Ų | 125.7 | 86% | 0.861 | 67% | 0.67 | S | S | * | * | trans | -71.4 | 78.8 | 176.1 | -72.5 | 53 | 0 | 0 | 0 | 109.1 | L211 | L211-H213 PolarHBondContact O-N 3.33Å; L211-H213 PolarHBondContact O-ND1 3.41Å | ||
| 214 | S | 26.3 | Very low | 38.7 | Very low | 77 Ų | 77 | 119 Ų | 119 | 54% | 0.538 | 64% | 0.642 | S | S | . | * | trans | -87.6 | 136 | 163 | 57.1 | 0 | 0 | 0 | 0 | 108.7 | D212 S216 | D212-S214 PolarHBondContact O-N 3.08Å; S214-S216 PolarHBondContact O-N 3.5Å | ||
| 215 | N | 31.2 | Very low | 41.1 | Very low | 166 Ų | 166 | 108.9 Ų | 108.9 | 89% | 0.888 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.1 | 25.6 | -174.5 | -69.8 | -27.2 | 0 | 0 | 0 | 116.3 | ||
| 216 | S | 34.3 | Very low | 43.2 | Very low | 55 Ų | 55 | 108.7 Ų | 108.7 | 39% | 0.385 | 59% | 0.588 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -104.4 | 5.5 | 174.9 | 72.5 | 0 | 0 | 0 | 0 | 113.9 | S214 K355 | S214-S216 PolarHBondContact O-N 3.5Å; S216-K355 PolarHBondContact O-NZ 3.47Å; S216-K355 PolarHBondContact OG-NZ 3.38Å |
| 217 | S | 37.2 | Very low | 45.2 | Very low | 53 Ų | 53 | 105.7 Ų | 105.7 | 37% | 0.371 | 57% | 0.567 | S | S | . | * | S | Bend | trans | -82.2 | -27.2 | -178.6 | 79.1 | 0 | 0 | 0 | 0 | 113.3 | N219 N220 F221 | S217-N219 PolarHBondContact O-N 3.43Å; S217-N220 PolarHBondContact O-N 2.92Å; S217-F221 WeakPolarHBondContact O-CD2 3.22Å; S217-F221 WeakPolarHBondContact O-CE2 3.41Å |
| 218 | F | 37.8 | Very low | 47.5 | Very low | 157 Ų | 157 | 97.5 Ų | 97.5 | 69% | 0.689 | 52% | 0.524 | S | S | * | . | G | 310 helix | trans | -67.3 | -33.4 | -175.9 | -84 | -83.4 | 0 | 0 | 0 | 113.8 | N220 F221 | F218-N220 PolarHBondContact O-N 3.33Å; F218-N220 VanDerWaalsContact O-N 3.16Å; F218-F221 PolarHBondContact O-N 2.94Å |
| 219 | N | 43.5 | Very low | 49.4 | Very low | 125 Ų | 125 | 92.3 Ų | 92.3 | 67% | 0.668 | 50% | 0.5 | S | S | * | . | G | 310 helix | trans | -70.6 | -12.1 | -178.7 | -68.9 | 3.6 | 0 | 0 | 0 | 114.4 | S217 | S217-N219 PolarHBondContact O-N 3.43Š|
| 220 | N | 50.3 | Low | 51.8 | Low | 40 Ų | 40 | 92.8 Ų | 92.8 | 21% | 0.214 | 49% | 0.485 | C | S | . | . | G | 310 helix | trans | -85.4 | -19.6 | 177.4 | -78.3 | -15.8 | 0 | 0 | 0 | 112.8 | S217 F218 Q223 I351 | S217-N220 PolarHBondContact O-N 2.92Å; F218-N220 PolarHBondContact O-N 3.33Å; F218-N220 VanDerWaalsContact O-N 3.16Å; N220-Q223 WeakPolarHBondContact O-CB 3.41Å; N220-Q223 PolarHBondContact OD1-NE2 3.31Å; N220-I351 HydrophobicContact CB-CG2 4.43Å |
| 221 | F | 59.8 | Low | 54.2 | Low | 77 Ų | 77 | 87.2 Ų | 87.2 | 34% | 0.338 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -17.6 | -174.4 | -68.4 | -68 | 0 | 0 | 0 | 113.7 | S217 F218 L328 G329 | S217-F221 WeakPolarHBondContact O-CD2 3.22Å; S217-F221 WeakPolarHBondContact O-CE2 3.41Å; F218-F221 PolarHBondContact O-N 2.94Å; F221-L328 PolarHBondContact O-N 3.37Å; F221-G329 PolarHBondContact O-N 3.14Å |
| 222 | E | 60.8 | Low | 56.4 | Low | 144 Ų | 144 | 80.4 Ų | 80.4 | 67% | 0.673 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | 0.2 | 170.3 | -69.7 | -173.6 | 161.8 | 0 | 0 | 113 | ||
| 223 | Q | 68.1 | Low | 59.1 | Low | 49 Ų | 49 | 73.9 Ų | 73.9 | 23% | 0.229 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -66.8 | 144.5 | 179.7 | -73.9 | -179.8 | 14.7 | 0 | 0 | 111.5 | N220 V227 L328 | N220-Q223 WeakPolarHBondContact O-CB 3.41Å; N220-Q223 PolarHBondContact OD1-NE2 3.31Å; Q223-V227 HydrophobicContact CB-CG2 3.99Å; Q223-V227 HydrophobicContact CG-CG2 4.47Å; Q223-L328 HydrophobicContact CB-CD2 4.17Å; Q223-L328 WeakPolarHBondContact O-CB 3.49Å; Q223-L328 PolarHBondContact O-N 3.44Å |
| 224 | P | 72.4 | Confident | 61.7 | Low | 44 Ų | 44 | 65 Ų | 65 | 29% | 0.286 | 35% | 0.354 | S | S | . | . | B | Isolated β-bridge | trans | -65.2 | 150.1 | 173.9 | 29.1 | -35.2 | 0 | 0 | 0 | 110 | T226 V227 N324 | P224-T226 WeakPolarHBondContact CB-OG1 3.14Å; P224-T226 WeakPolarHBondContact CG-OG1 3.22Å; P224-T226 PolarHBondContact O-N 2.99Å; P224-V227 HydrophobicContact CG-CG2 4.19Å; P224-V227 WeakPolarHBondContact O-CG2 3.2Å; P224-V227 PolarHBondContact O-N 3.42Å; P224-N324 WeakPolarHBondContact CA-OD1 3.48Å; P224-N324 WeakPolarHBondContact CB-OD1 3.48Å |
| 225 | I | 77.2 | Confident | 64.3 | Low | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.005 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -59.1 | -22.1 | 178.9 | -64.7 | 163.9 | 0 | 0 | 0 | 111.6 | V227 I228 L233 F317 M320 V326 L331 | I225-V227 PolarHBondContact O-N 3.36Å; I225-I228 HydrophobicContact CG2-CD1 4.2Å; I225-I228 WeakPolarHBondContact O-CB 3.43Å; I225-I228 WeakPolarHBondContact O-CG1 3.39Å; I225-I228 PolarHBondContact O-N 2.89Å; I225-L233 HydrophobicContact CG2-CD1 4.16Å; I225-F317 HydrophobicContact CG2-CD1 4.38Å; I225-F317 HydrophobicContact CG2-CE1 4.48Å; I225-M320 HydrophobicContact CD1-CB 3.79Å; I225-M320 HydrophobicContact CD1-SD 4.15Å; I225-V326 HydrophobicContact CD1-CB 3.9Å; I225-V326 HydrophobicContact CD1-CG1 4.14Å; I225-V326 WeakPolarHBondContact CD1-O 3.46Å; I225-V326 WeakPolarHBondContact CG1-O 3.36Å; I225-L331 HydrophobicContact CD1-CB 4.47Å; I225-L331 HydrophobicContact CD1-CD2 4.18Å; I225-L331 HydrophobicContact CG1-CD2 4.08Å; I225-L331 HydrophobicContact CG2-CD2 4.23Å |
| 226 | T | 73.7 | Confident | 66.8 | Low | 85 Ų | 85 | 53.8 Ų | 53.8 | 52% | 0.521 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -60 | -12.6 | 175.3 | 59.2 | 0 | 0 | 0 | 0 | 114.5 | P224 I228 C321 | P224-T226 WeakPolarHBondContact CB-OG1 3.14Å; P224-T226 WeakPolarHBondContact CG-OG1 3.22Å; P224-T226 PolarHBondContact O-N 2.99Å; T226-I228 PolarHBondContact O-N 3.38Å; T226-C321 HydrophobicContact CG2-CB 4.03Å |
| 227 | V | 72.6 | Confident | 69.3 | Low | 49 Ų | 49 | 51.2 Ų | 51.2 | 30% | 0.297 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -69.8 | -23.2 | 171.5 | 179.9 | 0 | 0 | 0 | 0 | 112 | Q223 P224 I225 P229 I354 | Q223-V227 HydrophobicContact CB-CG2 3.99Å; Q223-V227 HydrophobicContact CG-CG2 4.47Å; P224-V227 HydrophobicContact CG-CG2 4.19Å; P224-V227 WeakPolarHBondContact O-CG2 3.2Å; P224-V227 PolarHBondContact O-N 3.42Å; I225-V227 PolarHBondContact O-N 3.36Å; V227-P229 WeakPolarHBondContact O-CD 3.44Å; V227-I354 HydrophobicContact CG1-CD1 3.96Å |
| 228 | I | 75.4 | Confident | 71.5 | Confident | 11 Ų | 11 | 49.6 Ų | 49.6 | 6% | 0.056 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -72.5 | 125.5 | 177 | -56.6 | 178 | 0 | 0 | 0 | 109.3 | I225 T226 I232 L233 I236 L328 L331 I347 | I225-I228 HydrophobicContact CG2-CD1 4.2Å; I225-I228 WeakPolarHBondContact O-CB 3.43Å; I225-I228 WeakPolarHBondContact O-CG1 3.39Å; I225-I228 PolarHBondContact O-N 2.89Å; T226-I228 PolarHBondContact O-N 3.38Å; I228-I232 HydrophobicContact CG2-CB 3.99Å; I228-I232 HydrophobicContact CG2-CG2 3.94Å; I228-L233 HydrophobicContact CB-CD1 4.34Å; I228-L233 HydrophobicContact CD1-CD1 4.29Å; I228-L233 HydrophobicContact CG2-CB 4.18Å; I228-L233 HydrophobicContact CG2-CD1 4.19Å; I228-I236 HydrophobicContact CD1-CD1 4.45Å; I228-I236 HydrophobicContact CG2-CD1 4.31Å; I228-L328 HydrophobicContact CD1-CD1 3.75Å; I228-L328 HydrophobicContact CG1-CD1 4.04Å; I228-L331 HydrophobicContact CD1-CD2 4.28Å; I228-I347 HydrophobicContact CD1-CD1 4.42Å; I228-I347 HydrophobicContact CD1-CG1 4.27Å; I228-I347 HydrophobicContact CD1-CG2 4.26Å |
| 229 | P | 75.4 | Confident | 73.5 | Confident | 56 Ų | 56 | 44.2 Ų | 44.2 | 36% | 0.364 | 23% | 0.231 | S | C | . | . | trans | -57.2 | 139.5 | 174.3 | -26.2 | 36 | 0 | 0 | 0 | 112.4 | V227 N231 I232 L233 | V227-P229 WeakPolarHBondContact O-CD 3.44Å; P229-N231 WeakPolarHBondContact CB-OD1 3.49Å; P229-N231 PolarHBondContact O-N 2.85Å; P229-N231 VanDerWaalsContact O-N 3.12Å; P229-I232 HydrophobicContact CB-CG1 4.3Å; P229-I232 PolarHBondContact O-N 3.14Å; P229-L233 PolarHBondContact O-N 3.37Å | ||
| 230 | M | 78.7 | Confident | 75.4 | Confident | 78 Ų | 78 | 38.3 Ų | 38.3 | 38% | 0.384 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -54.9 | -36.1 | -172.7 | -153.9 | 72.8 | 160.4 | 0 | 0 | 113.9 | L233 G234 D269 L270 A273 | M230-L233 PolarHBondContact O-N 2.91Å; M230-G234 PolarHBondContact O-N 3.43Å; M230-D269 HydrophobicContact CE-CB 3.65Å; M230-L270 HydrophobicContact CE-CB 3.64Å; M230-L270 HydrophobicContact CE-CD1 4.41Å; M230-L270 HydrophobicContact SD-CD1 4.28Å; M230-A273 HydrophobicContact CG-CB 4.42Å |
| 231 | N | 75.9 | Confident | 77 | Confident | 89 Ų | 89 | 36.7 Ų | 36.7 | 48% | 0.476 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -66.3 | -41.3 | 177 | 59.9 | -30.5 | 0 | 0 | 0 | 112.3 | P229 G234 V235 | P229-N231 WeakPolarHBondContact CB-OD1 3.49Å; P229-N231 PolarHBondContact O-N 2.85Å; P229-N231 VanDerWaalsContact O-N 3.12Å; N231-G234 PolarHBondContact O-N 3.15Å; N231-V235 WeakPolarHBondContact O-CG2 3.34Å; N231-V235 PolarHBondContact O-N 3.31Å; N231-V235 VanDerWaalsContact O-N 3.1Å |
| 232 | I | 79.1 | Confident | 77.8 | Confident | 5 Ų | 5 | 36.3 Ų | 36.3 | 3% | 0.026 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -70.4 | -40.2 | 176.2 | -57.3 | -62.2 | 0 | 0 | 0 | 109.9 | I228 P229 G234 V235 I236 Q350 | I228-I232 HydrophobicContact CG2-CB 3.99Å; I228-I232 HydrophobicContact CG2-CG2 3.94Å; P229-I232 HydrophobicContact CB-CG1 4.3Å; P229-I232 PolarHBondContact O-N 3.14Å; I232-G234 PolarHBondContact O-N 3.32Å; I232-V235 PolarHBondContact O-N 2.89Å; I232-V235 VanDerWaalsContact O-N 3.14Å; I232-I236 HydrophobicContact CG2-CD1 3.9Å; I232-I236 WeakPolarHBondContact O-CD1 3.45Å; I232-I236 VanDerWaalsContact O-CG1 3.31Å; I232-I236 WeakPolarHBondContact O-CG1 3.45Å; I232-I236 PolarHBondContact O-N 3.36Å; I232-Q350 HydrophobicContact CD1-CG 4.19Å; I232-Q350 HydrophobicContact CG1-CG 3.99Å; I232-Q350 HydrophobicContact CG2-CG 4.29Å |
| 233 | L | 83.2 | Confident | 78.2 | Confident | 4 Ų | 4 | 36.6 Ų | 36.6 | 2% | 0.021 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.7 | -38.9 | 173.9 | -159.5 | 64 | 0 | 0 | 0 | 111.2 | I225 I228 P229 M230 I236 C237 L270 F317 | I225-L233 HydrophobicContact CG2-CD1 4.16Å; I228-L233 HydrophobicContact CB-CD1 4.34Å; I228-L233 HydrophobicContact CD1-CD1 4.29Å; I228-L233 HydrophobicContact CG2-CB 4.18Å; I228-L233 HydrophobicContact CG2-CD1 4.19Å; P229-L233 PolarHBondContact O-N 3.37Å; M230-L233 PolarHBondContact O-N 2.91Å; L233-I236 PolarHBondContact O-N 2.65Å; L233-C237 WeakPolarHBondContact O-CB 3.34Å; L233-C237 PolarHBondContact O-N 2.69Å; L233-C237 PolarHBondContact O-SG 2.91Å; L233-L270 HydrophobicContact CB-CD1 3.93Å; L233-L270 HydrophobicContact CD2-CD1 3.88Å; L233-L270 HydrophobicContact CD2-CD2 4.1Å; L233-L270 HydrophobicContact CG-CD1 3.87Å; L233-L270 HydrophobicContact CG-CD2 4.49Å; L233-F317 HydrophobicContact CD1-CD1 3.51Å; L233-F317 HydrophobicContact CD1-CE1 3.71Å; L233-F317 HydrophobicContact CD1-CG 4.44Å; L233-F317 HydrophobicContact CG-CD1 4.2Å |
| 234 | G | 82.9 | Confident | 78.5 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.8 | -42.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | M230 N231 I232 I236 C237 Y238 T274 | M230-G234 PolarHBondContact O-N 3.43Å; N231-G234 PolarHBondContact O-N 3.15Å; I232-G234 PolarHBondContact O-N 3.32Å; G234-I236 PolarHBondContact O-N 3.23Å; G234-C237 PolarHBondContact O-N 2.86Å; G234-Y238 WeakPolarHBondContact O-CB 3.44Å; G234-Y238 PolarHBondContact O-N 3.37Å; G234-T274 WeakPolarHBondContact CA-OG1 3.46Å |
| 235 | V | 80.8 | Confident | 79.1 | Confident | 8 Ų | 8 | 33.8 Ų | 33.8 | 5% | 0.048 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.5 | -42.2 | 174.9 | 175.7 | 0 | 0 | 0 | 0 | 111.4 | W43 N231 I232 Y238 R239 A277 L346 | W43-V235 HydrophobicContact CE3-CG2 4.34Å; N231-V235 WeakPolarHBondContact O-CG2 3.34Å; N231-V235 PolarHBondContact O-N 3.31Å; N231-V235 VanDerWaalsContact O-N 3.1Å; I232-V235 PolarHBondContact O-N 2.89Å; I232-V235 VanDerWaalsContact O-N 3.14Å; V235-Y238 PolarHBondContact O-N 2.98Å; V235-R239 WeakPolarHBondContact O-CG 3.29Å; V235-R239 PolarHBondContact O-N 2.84Å; V235-A277 HydrophobicContact CB-CB 4.36Å; V235-A277 HydrophobicContact CG2-CB 3.75Å; V235-L346 HydrophobicContact CG1-CD1 4.31Å |
| 236 | I | 83.6 | Confident | 79.4 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.3 | -47.1 | 177.1 | -66.5 | 159.5 | 0 | 0 | 0 | 110.2 | I228 I232 L233 G234 Y238 R239 L240 F317 L343 I347 | I228-I236 HydrophobicContact CD1-CD1 4.45Å; I228-I236 HydrophobicContact CG2-CD1 4.31Å; I232-I236 HydrophobicContact CG2-CD1 3.9Å; I232-I236 WeakPolarHBondContact O-CD1 3.45Å; I232-I236 VanDerWaalsContact O-CG1 3.31Å; I232-I236 WeakPolarHBondContact O-CG1 3.45Å; I232-I236 PolarHBondContact O-N 3.36Å; L233-I236 PolarHBondContact O-N 2.65Å; G234-I236 PolarHBondContact O-N 3.23Å; I236-Y238 VanDerWaalsContact C-N 3.32Å; I236-Y238 PolarHBondContact O-N 3.37Å; I236-R239 PolarHBondContact O-N 3.28Å; I236-L240 HydrophobicContact CG2-CD1 3.52Å; I236-L240 WeakPolarHBondContact O-CB 3.48Å; I236-L240 PolarHBondContact O-N 2.88Å; I236-F317 HydrophobicContact CG2-CE1 4.31Å; I236-F317 HydrophobicContact CG2-CE2 4.26Å; I236-F317 HydrophobicContact CG2-CZ 3.71Å; I236-L343 HydrophobicContact CG1-CD2 4.16Å; I236-I347 HydrophobicContact CD1-CD1 3.77Å; I236-I347 HydrophobicContact CD1-CG1 3.47Å; I236-I347 VanDerWaalsContact CD1-CG1 3.47Å; I236-I347 HydrophobicContact CG1-CG1 4.4Å |
| 237 | C | 86.9 | Confident | 79.7 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.007 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.9 | -44 | 176.3 | -70.8 | 0 | 0 | 0 | 0 | 111.3 | L233 G234 L240 S241 T274 T313 V314 | L233-C237 WeakPolarHBondContact O-CB 3.34Å; L233-C237 PolarHBondContact O-N 2.69Å; L233-C237 PolarHBondContact O-SG 2.91Å; G234-C237 PolarHBondContact O-N 2.86Å; C237-L240 PolarHBondContact O-N 3.39Å; C237-S241 VanDerWaalsContact O-CB 3.27Å; C237-S241 WeakPolarHBondContact O-CB 3.24Å; C237-S241 PolarHBondContact O-N 2.94Å; C237-T274 HydrophobicContact CB-CG2 3.79Å; C237-T313 HydrophobicContact CB-CG2 4.23Å; C237-T313 WeakPolarHBondContact O-CG2 3.31Å; C237-V314 HydrophobicContact CB-CG2 4.27Å |
| 238 | Y | 83.8 | Confident | 80.3 | Confident | 19 Ų | 19 | 39 Ų | 39 | 8% | 0.075 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62 | -48 | 178.6 | 172.2 | -113.4 | 0 | 0 | 0 | 111.5 | L47 G234 V235 I236 L240 S241 Q242 Q278 A281 L310 | L47-Y238 HydrophobicContact CD2-CE1 4.48Å; G234-Y238 WeakPolarHBondContact O-CB 3.44Å; G234-Y238 PolarHBondContact O-N 3.37Å; V235-Y238 PolarHBondContact O-N 2.98Å; I236-Y238 VanDerWaalsContact C-N 3.32Å; I236-Y238 PolarHBondContact O-N 3.37Å; Y238-L240 PolarHBondContact O-N 2.93Å; Y238-S241 PolarHBondContact O-N 3.25Å; Y238-S241 PolarHBondContact O-OG 3.43Å; Y238-Q242 PolarHBondContact O-N 3.42Å; Y238-Q242 PolarHBondContact OH-NE2 3.43Å; Y238-Q278 HydrophobicContact CD2-CB 3.6Å; Y238-Q278 HydrophobicContact CD2-CG 4.11Å; Y238-Q278 HydrophobicContact CE2-CB 3.45Å; Y238-Q278 VanDerWaalsContact CE2-CB 3.45Å; Y238-Q278 HydrophobicContact CE2-CG 3.48Å; Y238-Q278 VanDerWaalsContact CE2-CG 3.48Å; Y238-Q278 HydrophobicContact CG-CB 4.35Å; Y238-A281 HydrophobicContact CD1-CB 4.39Å; Y238-A281 HydrophobicContact CE1-CB 3.46Å; Y238-A281 VanDerWaalsContact CE1-CB 3.46Å; Y238-L310 HydrophobicContact CD2-CD1 4.12Å |
| 239 | R | 78.6 | Confident | 80.6 | Confident | 44 Ų | 44 | 38.5 Ų | 38.5 | 17% | 0.166 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.4 | -43.6 | 179.5 | -75.4 | -92.9 | -88.7 | -166.1 | -6.9 | 112.1 | V235 I236 S241 Q242 H243 D342 L343 | V235-R239 WeakPolarHBondContact O-CG 3.29Å; V235-R239 PolarHBondContact O-N 2.84Å; I236-R239 PolarHBondContact O-N 3.28Å; R239-S241 VanDerWaalsContact C-N 3.32Å; R239-S241 PolarHBondContact O-N 3.41Å; R239-Q242 PolarHBondContact O-N 2.87Å; R239-H243 PolarHBondContact O-N 2.86Å; R239-D342 IonicContact CZ-OD2 2.73Å; R239-D342 IonicContact NH2-OD2 3.63Å; R239-D342 PolarHBondContact NH2-OD2 2.91Å; R239-L343 HydrophobicContact CB-CD1 4.24Å; R239-L343 HydrophobicContact CB-CD2 3.83Å; R239-L343 HydrophobicContact CG-CD2 4.13Å |
| 240 | L | 84 | Confident | 81 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -69.8 | -28.7 | 177.3 | -78.6 | 155 | 0 | 0 | 0 | 113.2 | I236 C237 Y238 Q242 H243 W245 L248 T313 F317 L335 L343 | I236-L240 HydrophobicContact CG2-CD1 3.52Å; I236-L240 WeakPolarHBondContact O-CB 3.48Å; I236-L240 PolarHBondContact O-N 2.88Å; C237-L240 PolarHBondContact O-N 3.39Å; Y238-L240 PolarHBondContact O-N 2.93Å; L240-Q242 PolarHBondContact O-N 3.41Å; L240-H243 WeakPolarHBondContact CA-O 3.31Å; L240-H243 CarbonylContact O-C 3.21Å; L240-H243 PolarHBondContact O-N 2.82Å; L240-H243 VanDerWaalsContact O-O 3.1Å; L240-W245 HydrophobicContact CB-CB 4.45Å; L240-W245 PolarHBondContact O-N 2.85Å; L240-W245 VanDerWaalsContact O-N 3.15Å; L240-L248 HydrophobicContact CD1-CD2 3.83Å; L240-L248 HydrophobicContact CD2-CB 4.48Å; L240-L248 HydrophobicContact CD2-CD2 3.95Å; L240-T313 HydrophobicContact CB-CG2 3.86Å; L240-F317 HydrophobicContact CD1-CE2 3.59Å; L240-F317 HydrophobicContact CD1-CZ 3.87Å; L240-L335 HydrophobicContact CD1-CD2 3.92Å; L240-L335 HydrophobicContact CD2-CD2 4.04Å; L240-L335 HydrophobicContact CG-CD2 4.44Å; L240-L343 HydrophobicContact CD1-CD1 4.23Å; L240-L343 HydrophobicContact CD2-CD1 4.41Å; L240-L343 HydrophobicContact CG-CD1 3.93Å |
| 241 | S | 83.5 | Confident | 81 | Confident | 6 Ų | 6 | 39.8 Ų | 39.8 | 4% | 0.042 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -67.4 | -27.7 | 176.7 | 76.8 | 0 | 0 | 0 | 0 | 112.7 | C237 Y238 R239 N309 L310 T313 | C237-S241 VanDerWaalsContact O-CB 3.27Å; C237-S241 WeakPolarHBondContact O-CB 3.24Å; C237-S241 PolarHBondContact O-N 2.94Å; Y238-S241 PolarHBondContact O-N 3.25Å; Y238-S241 PolarHBondContact O-OG 3.43Å; R239-S241 VanDerWaalsContact C-N 3.32Å; R239-S241 PolarHBondContact O-N 3.41Å; S241-N309 WeakPolarHBondContact O-CB 3.42Å; S241-L310 VanDerWaalsContact OG-CD1 3.26Å; S241-L310 WeakPolarHBondContact OG-CD1 3.4Å; S241-T313 WeakPolarHBondContact CA-OG1 3.4Å |
| 242 | Q | 77.3 | Confident | 81.2 | Confident | 69 Ų | 69 | 36.8 Ų | 36.8 | 32% | 0.322 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -72 | -49 | 173.7 | -61.9 | -163.7 | 15.6 | 0 | 0 | 110.1 | Y238 R239 L240 | Y238-Q242 PolarHBondContact O-N 3.42Å; Y238-Q242 PolarHBondContact OH-NE2 3.43Å; R239-Q242 PolarHBondContact O-N 2.87Å; L240-Q242 PolarHBondContact O-N 3.41Å |
| 243 | H | 69.8 | Low | 81.4 | Confident | 151 Ų | 151 | 44 Ų | 44 | 70% | 0.699 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -148 | 129.4 | -177.9 | -53.4 | -65 | 0 | 0 | 0 | 110.5 | R239 L240 | R239-H243 PolarHBondContact O-N 2.86Å; L240-H243 WeakPolarHBondContact CA-O 3.31Å; L240-H243 CarbonylContact O-C 3.21Å; L240-H243 PolarHBondContact O-N 2.82Å; L240-H243 VanDerWaalsContact O-O 3.1Å |
| 244 | G | 74.8 | Confident | 81.2 | Confident | 15 Ų | 15 | 44.6 Ų | 44.6 | 16% | 0.155 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 102.1 | -3.6 | 164.2 | 0 | 0 | 0 | 0 | 0 | 117.7 | Q246 E247 L248 | G244-Q246 VanDerWaalsContact C-N 3.34Å; G244-Q246 PolarHBondContact O-N 2.88Å; G244-E247 PolarHBondContact O-N 3.46Å; G244-L248 WeakPolarHBondContact O-CB 3.48Å; G244-L248 PolarHBondContact O-N 3.36Å |
| 245 | W | 83.9 | Confident | 80.8 | Confident | 18 Ų | 18 | 49.9 Ų | 49.9 | 7% | 0.068 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.1 | -37.9 | 179.6 | 78.2 | -94.7 | 0 | 0 | 0 | 113.8 | L240 L248 A249 T256 F259 N309 M312 T313 | L240-W245 HydrophobicContact CB-CB 4.45Å; L240-W245 PolarHBondContact O-N 2.85Å; L240-W245 VanDerWaalsContact O-N 3.15Å; W245-L248 PolarHBondContact O-N 3.49Å; W245-A249 WeakPolarHBondContact O-CB 3.43Å; W245-A249 PolarHBondContact O-N 3.43Å; W245-T256 HydrophobicContact CZ3-CG2 4.35Å; W245-F259 HydrophobicContact CZ3-CE2 4.3Å; W245-N309 PolarHBondContact NE1-OD1 3.26Å; W245-M312 HydrophobicContact CD2-CB 4.39Å; W245-M312 HydrophobicContact CE3-CB 4.28Å; W245-M312 HydrophobicContact CH2-CB 3.58Å; W245-M312 HydrophobicContact CH2-CE 3.81Å; W245-M312 HydrophobicContact CH2-CG 3.95Å; W245-M312 HydrophobicContact CZ2-CB 3.68Å; W245-M312 HydrophobicContact CZ2-CG 4.1Å; W245-M312 HydrophobicContact CZ3-CB 3.9Å; W245-M312 HydrophobicContact CZ3-CE 4.21Å; W245-T313 HydrophobicContact CB-CG2 3.96Å; W245-T313 WeakPolarHBondContact CB-OG1 3.49Å; W245-T313 VanDerWaalsContact CG-OG1 3.27Å |
| 246 | Q | 83.1 | Confident | 80.4 | Confident | 125 Ų | 125 | 52.9 Ų | 52.9 | 58% | 0.584 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -69.3 | -42.8 | 178.4 | -66 | -178.5 | -29.2 | 0 | 0 | 111.7 | G244 L248 A249 S250 | G244-Q246 VanDerWaalsContact C-N 3.34Å; G244-Q246 PolarHBondContact O-N 2.88Å; Q246-L248 VanDerWaalsContact C-N 3.31Å; Q246-L248 PolarHBondContact O-N 3.35Å; Q246-A249 PolarHBondContact O-N 3.33Å; Q246-S250 PolarHBondContact O-N 3.16Å |
| 247 | E | 80.7 | Confident | 79.8 | Confident | 119 Ų | 119 | 55.6 Ų | 55.6 | 56% | 0.556 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -62.9 | -40.8 | 175.3 | -73 | 168.6 | -168.1 | 0 | 0 | 110.5 | G244 S250 M251 L338 | G244-E247 PolarHBondContact O-N 3.46Å; E247-S250 WeakPolarHBondContact CA-OG 3.41Å; E247-S250 PolarHBondContact O-N 2.86Å; E247-S250 PolarHBondContact O-OG 3.5Å; E247-M251 WeakPolarHBondContact O-CG 3.44Å; E247-M251 PolarHBondContact O-N 3.28Å; E247-L338 HydrophobicContact CB-CD2 3.85Å; E247-L338 WeakPolarHBondContact OE2-CD2 3.44Å |
| 248 | L | 84 | Confident | 79.1 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.2 | -44 | 175.6 | -171.8 | 66.5 | 0 | 0 | 0 | 111.7 | L240 G244 W245 Q246 S250 M251 L252 M316 F317 L331 L335 L338 | L240-L248 HydrophobicContact CD1-CD2 3.83Å; L240-L248 HydrophobicContact CD2-CB 4.48Å; L240-L248 HydrophobicContact CD2-CD2 3.95Å; G244-L248 WeakPolarHBondContact O-CB 3.48Å; G244-L248 PolarHBondContact O-N 3.36Å; W245-L248 PolarHBondContact O-N 3.49Å; Q246-L248 VanDerWaalsContact C-N 3.31Å; Q246-L248 PolarHBondContact O-N 3.35Å; L248-S250 VanDerWaalsContact C-N 3.28Å; L248-S250 PolarHBondContact O-N 3.14Å; L248-M251 PolarHBondContact O-N 3.05Å; L248-L252 HydrophobicContact CD1-CD1 4Å; L248-L252 HydrophobicContact CD1-CG 4.45Å; L248-L252 HydrophobicContact CG-CD1 3.92Å; L248-L252 WeakPolarHBondContact O-CB 3.42Å; L248-L252 WeakPolarHBondContact O-CG 3.45Å; L248-L252 PolarHBondContact O-N 2.88Å; L248-L252 VanDerWaalsContact O-N 3.07Å; L248-M316 HydrophobicContact CB-CE 4.12Å; L248-M316 HydrophobicContact CD2-CE 3.47Å; L248-M316 VanDerWaalsContact CD2-CE 3.47Å; L248-M316 HydrophobicContact CG-CE 3.65Å; L248-F317 HydrophobicContact CD2-CE2 4.2Å; L248-F317 HydrophobicContact CD2-CZ 4.36Å; L248-L331 HydrophobicContact CD2-CD1 4.2Å; L248-L335 HydrophobicContact CD1-CD2 4.26Å; L248-L335 HydrophobicContact CD1-CG 4.47Å; L248-L335 HydrophobicContact CD2-CD2 4.15Å; L248-L338 HydrophobicContact CB-CD1 3.54Å; L248-L338 HydrophobicContact CD1-CD1 3.45Å; L248-L338 VanDerWaalsContact CD1-CD1 3.45Å; L248-L338 HydrophobicContact CG-CD1 4.05Å |
| 249 | A | 83.6 | Confident | 78.7 | Confident | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.008 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.6 | -43 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | W245 Q246 L252 D253 L254 F259 M316 | W245-A249 WeakPolarHBondContact O-CB 3.43Å; W245-A249 PolarHBondContact O-N 3.43Å; Q246-A249 PolarHBondContact O-N 3.33Å; A249-L252 CarbonylContact O-C 3.59Å; A249-L252 PolarHBondContact O-N 2.94Å; A249-D253 PolarHBondContact O-N 2.98Å; A249-L254 HydrophobicContact CB-CB 4.35Å; A249-L254 PolarHBondContact O-N 2.9Å; A249-F259 HydrophobicContact CB-CE2 4.37Å; A249-F259 HydrophobicContact CB-CZ 4.38Å; A249-M316 HydrophobicContact CB-SD 3.88Å |
| 250 | S | 82.2 | Confident | 78 | Confident | 76 Ų | 76 | 62.2 Ų | 62.2 | 53% | 0.531 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -66.7 | -40.7 | 177.5 | 75.9 | 0 | 0 | 0 | 0 | 113 | Q246 E247 L248 L252 D253 | Q246-S250 PolarHBondContact O-N 3.16Å; E247-S250 WeakPolarHBondContact CA-OG 3.41Å; E247-S250 PolarHBondContact O-N 2.86Å; E247-S250 PolarHBondContact O-OG 3.5Å; L248-S250 VanDerWaalsContact C-N 3.28Å; L248-S250 PolarHBondContact O-N 3.14Å; S250-L252 PolarHBondContact O-N 2.72Å; S250-D253 PolarHBondContact O-N 3.46Å |
| 251 | M | 80.3 | Confident | 77.2 | Confident | 85 Ų | 85 | 69.9 Ų | 69.9 | 42% | 0.419 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -66.8 | -25.7 | 177.3 | -79.2 | -168.1 | -169 | 0 | 0 | 113 | E247 L248 K337 L338 | E247-M251 WeakPolarHBondContact O-CG 3.44Å; E247-M251 PolarHBondContact O-N 3.28Å; L248-M251 PolarHBondContact O-N 3.05Å; M251-K337 HydrophobicContact CE-CB 3.97Å; M251-K337 HydrophobicContact SD-CB 3.76Å; M251-K337 HydrophobicContact SD-CD 4.29Å; M251-L338 HydrophobicContact CE-CG 4.36Å; M251-L338 HydrophobicContact SD-CD1 4.28Å; M251-L338 HydrophobicContact SD-CG 4.48Å |
| 252 | L | 80 | Confident | 76.3 | Confident | 27 Ų | 27 | 71 Ų | 71 | 14% | 0.141 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | 7.1 | 179.4 | -65.8 | 173.2 | 0 | 0 | 0 | 112.6 | L248 A249 S250 L254 M316 M320 V326 S334 | L248-L252 HydrophobicContact CD1-CD1 4Å; L248-L252 HydrophobicContact CD1-CG 4.45Å; L248-L252 HydrophobicContact CG-CD1 3.92Å; L248-L252 WeakPolarHBondContact O-CB 3.42Å; L248-L252 WeakPolarHBondContact O-CG 3.45Å; L248-L252 PolarHBondContact O-N 2.88Å; L248-L252 VanDerWaalsContact O-N 3.07Å; A249-L252 CarbonylContact O-C 3.59Å; A249-L252 PolarHBondContact O-N 2.94Å; S250-L252 PolarHBondContact O-N 2.72Å; L252-L254 HydrophobicContact CB-CD1 3.78Å; L252-L254 HydrophobicContact CB-CG 3.8Å; L252-L254 HydrophobicContact CD1-CD1 4.08Å; L252-L254 PolarHBondContact O-N 2.93Å; L252-M316 HydrophobicContact CD1-CE 4.21Å; L252-M320 HydrophobicContact CD1-SD 3.68Å; L252-V326 HydrophobicContact CB-CG2 4.37Å; L252-V326 HydrophobicContact CD1-CG1 4.22Å; L252-V326 HydrophobicContact CD1-CG2 4.3Å; L252-V326 HydrophobicContact CD2-CG1 3.73Å; L252-V326 HydrophobicContact CD2-CG2 4.19Å; L252-S334 VanDerWaalsContact CD2-OG 3.29Å; L252-S334 WeakPolarHBondContact CD2-OG 3.46Å |
| 253 | D | 82.2 | Confident | 75.5 | Confident | 155 Ų | 155 | 71 Ų | 71 | 83% | 0.829 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.2 | 39.2 | -175 | -74.4 | -33 | 0 | 0 | 0 | 113 | A249 S250 | A249-D253 PolarHBondContact O-N 2.98Å; S250-D253 PolarHBondContact O-N 3.46Å |
| 254 | L | 79.7 | Confident | 75.1 | Confident | 17 Ų | 17 | 68.4 Ų | 68.4 | 9% | 0.089 | 37% | 0.37 | C | S | . | . | trans | -89 | 121.5 | 179.2 | -63.9 | 169.2 | 0 | 0 | 0 | 110.6 | A249 L252 T256 F259 M316 Y319 M320 V326 | A249-L254 HydrophobicContact CB-CB 4.35Å; A249-L254 PolarHBondContact O-N 2.9Å; L252-L254 HydrophobicContact CB-CD1 3.78Å; L252-L254 HydrophobicContact CB-CG 3.8Å; L252-L254 HydrophobicContact CD1-CD1 4.08Å; L252-L254 PolarHBondContact O-N 2.93Å; L254-T256 PolarHBondContact O-N 3.24Å; L254-F259 HydrophobicContact CB-CE1 4.18Å; L254-F259 HydrophobicContact CB-CZ 3.78Å; L254-M316 HydrophobicContact CD1-CE 3.93Å; L254-M316 HydrophobicContact CD1-CG 3.99Å; L254-M316 HydrophobicContact CD1-SD 4.5Å; L254-Y319 HydrophobicContact CD2-CD1 3.98Å; L254-Y319 HydrophobicContact CD2-CE1 3.84Å; L254-M320 HydrophobicContact CD1-CG 3.65Å; L254-M320 HydrophobicContact CD1-SD 3.67Å; L254-M320 HydrophobicContact CD2-CG 4.39Å; L254-V326 HydrophobicContact CD2-CG2 4.5Å | ||
| 255 | E | 74.7 | Confident | 74.3 | Confident | 112 Ų | 112 | 75.4 Ų | 75.4 | 52% | 0.523 | 40% | 0.399 | S | S | . | . | trans | -76.7 | 110.8 | 179.9 | -149.8 | -179.1 | -179.8 | 0 | 0 | 110.5 | S257 K258 | E255-S257 WeakPolarHBondContact CG-OG 3.26Å; E255-S257 PolarHBondContact O-N 2.96Å; E255-S257 VanDerWaalsContact O-N 3.12Å; E255-K258 HydrophobicContact CB-CD 4.34Å; E255-K258 HydrophobicContact CB-CG 4.32Å; E255-K258 WeakPolarHBondContact O-CB 3.39Å; E255-K258 PolarHBondContact O-N 3.17Å; E255-K258 WeakPolarHBondContact OE2-CE 3.27Å; E255-K258 IonicContact OE2-NZ 3.85Å | ||
| 256 | T | 70.7 | Confident | 73 | Confident | 70 Ų | 70 | 77.7 Ų | 77.7 | 43% | 0.429 | 41% | 0.412 | S | S | . | . | G | 310 helix | trans | -62.2 | -24 | -173.3 | 59.2 | 0 | 0 | 0 | 0 | 113.6 | W245 L254 K258 F259 | W245-T256 HydrophobicContact CZ3-CG2 4.35Å; L254-T256 PolarHBondContact O-N 3.24Å; T256-K258 PolarHBondContact O-N 3.27Å; T256-F259 HydrophobicContact CG2-CD2 4.34Å; T256-F259 HydrophobicContact CG2-CE2 3.82Å; T256-F259 WeakPolarHBondContact O-CB 3.42Å; T256-F259 WeakPolarHBondContact O-CG 3.28Å; T256-F259 PolarHBondContact O-N 3.32Å; T256-F259 VanDerWaalsContact O-N 3.14Å |
| 257 | S | 73 | Confident | 72.2 | Confident | 58 Ų | 58 | 72.6 Ų | 72.6 | 41% | 0.406 | 39% | 0.389 | S | S | . | . | G | 310 helix | trans | -62.5 | -24 | 175.5 | 60 | 0 | 0 | 0 | 0 | 113.2 | E255 F259 | E255-S257 WeakPolarHBondContact CG-OG 3.26Å; E255-S257 PolarHBondContact O-N 2.96Å; E255-S257 VanDerWaalsContact O-N 3.12Å; S257-F259 VanDerWaalsContact C-N 3.3Å |
| 258 | K | 70.9 | Confident | 71.9 | Confident | 78 Ų | 78 | 69.4 Ų | 69.4 | 34% | 0.339 | 38% | 0.38 | S | S | . | . | G | 310 helix | trans | -77.5 | -18.2 | 178 | -64.3 | -174.8 | -177.4 | 169.6 | 0 | 112.5 | E255 T256 Q261 L262 Y319 | E255-K258 HydrophobicContact CB-CD 4.34Å; E255-K258 HydrophobicContact CB-CG 4.32Å; E255-K258 WeakPolarHBondContact O-CB 3.39Å; E255-K258 PolarHBondContact O-N 3.17Å; E255-K258 WeakPolarHBondContact OE2-CE 3.27Å; E255-K258 IonicContact OE2-NZ 3.85Å; T256-K258 PolarHBondContact O-N 3.27Å; K258-Q261 PolarHBondContact O-N 3.11Å; K258-L262 WeakPolarHBondContact O-CD1 3.46Å; K258-Y319 HydrophobicContact CB-CD2 4.32Å; K258-Y319 HydrophobicContact CB-CE2 3.89Å; K258-Y319 HydrophobicContact CD-CE2 4Å; K258-Y319 WeakPolarHBondContact CD-OH 3.35Å |
| 259 | F | 75.1 | Confident | 71.6 | Confident | 1 Ų | 1 | 73.8 Ų | 73.8 | 0% | 0.004 | 40% | 0.404 | C | S | . | . | G | 310 helix | trans | -72.6 | -34 | -175.9 | -55.7 | -17.5 | 0 | 0 | 0 | 112.1 | W245 A249 L254 T256 S257 Q261 L262 M312 M316 Y319 | W245-F259 HydrophobicContact CZ3-CE2 4.3Å; A249-F259 HydrophobicContact CB-CE2 4.37Å; A249-F259 HydrophobicContact CB-CZ 4.38Å; L254-F259 HydrophobicContact CB-CE1 4.18Å; L254-F259 HydrophobicContact CB-CZ 3.78Å; T256-F259 HydrophobicContact CG2-CD2 4.34Å; T256-F259 HydrophobicContact CG2-CE2 3.82Å; T256-F259 WeakPolarHBondContact O-CB 3.42Å; T256-F259 WeakPolarHBondContact O-CG 3.28Å; T256-F259 PolarHBondContact O-N 3.32Å; T256-F259 VanDerWaalsContact O-N 3.14Å; S257-F259 VanDerWaalsContact C-N 3.3Å; F259-Q261 PolarHBondContact O-N 3.42Å; F259-L262 VanDerWaalsContact O-CD1 3.31Å; F259-L262 WeakPolarHBondContact O-CD1 3.37Å; F259-L262 PolarHBondContact O-N 3.37Å; F259-M312 HydrophobicContact CB-CE 4.28Å; F259-M312 HydrophobicContact CD2-CE 3.96Å; F259-M316 HydrophobicContact CD2-CB 4.07Å; F259-M316 HydrophobicContact CE1-CB 4.23Å; F259-M316 HydrophobicContact CE1-CG 4.22Å; F259-M316 HydrophobicContact CE2-CB 3.7Å; F259-M316 HydrophobicContact CE2-CG 3.91Å; F259-M316 HydrophobicContact CG-CB 4.49Å; F259-M316 HydrophobicContact CZ-CB 3.81Å; F259-M316 HydrophobicContact CZ-CG 3.64Å; F259-Y319 HydrophobicContact CD1-CG 4.27Å; F259-Y319 HydrophobicContact CE1-CD1 4.09Å; F259-Y319 HydrophobicContact CE1-CG 4.27Å |
| 260 | D | 65.6 | Low | 71.5 | Confident | 123 Ų | 123 | 73.8 Ų | 73.8 | 66% | 0.658 | 40% | 0.403 | S | S | * | . | G | 310 helix | trans | -72.6 | -16.8 | 179 | -67.2 | -36.1 | 0 | 0 | 0 | 113.1 | ||
| 261 | Q | 65.9 | Low | 71.6 | Confident | 162 Ų | 162 | 72.2 Ų | 72.2 | 76% | 0.757 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | -88.7 | -3.1 | -177.9 | -63.3 | -178.2 | 4 | 0 | 0 | 113.3 | K258 F259 | K258-Q261 PolarHBondContact O-N 3.11Å; F259-Q261 PolarHBondContact O-N 3.42Å |
| 262 | L | 64.5 | Low | 71.8 | Confident | 28 Ų | 28 | 71.5 Ų | 71.5 | 15% | 0.147 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -74.7 | 142 | -178.7 | -79.6 | 98.4 | 0 | 0 | 0 | 112.2 | K258 F259 S264 T267 Q318 Y319 L322 | K258-L262 WeakPolarHBondContact O-CD1 3.46Å; F259-L262 VanDerWaalsContact O-CD1 3.31Å; F259-L262 WeakPolarHBondContact O-CD1 3.37Å; F259-L262 PolarHBondContact O-N 3.37Å; L262-S264 PolarHBondContact O-N 3.37Å; L262-T267 HydrophobicContact CB-CG2 4.48Å; L262-Q318 HydrophobicContact CD2-CB 4.07Å; L262-Q318 HydrophobicContact CD2-CG 3.95Å; L262-Y319 HydrophobicContact CD1-CD2 4.09Å; L262-L322 HydrophobicContact CD2-CD1 3.63Å |
| 263 | P | 60.3 | Low | 71.9 | Confident | 69 Ų | 69 | 71 Ų | 71 | 45% | 0.448 | 39% | 0.392 | S | S | . | . | trans | -58.8 | 128.8 | 175.1 | -20.3 | 31 | 0 | 0 | 0 | 111.5 | E265 I266 | P263-E265 PolarHBondContact O-N 3.45Å; P263-I266 HydrophobicContact CB-CD1 3.9Å; P263-I266 HydrophobicContact CB-CG1 4.15Å; P263-I266 HydrophobicContact CG-CD1 3.69Å; P263-I266 HydrophobicContact CG-CG1 4.48Å; P263-I266 PolarHBondContact O-N 3.48Å | ||
| 264 | S | 62.5 | Low | 71.9 | Confident | 98 Ų | 98 | 63.6 Ų | 63.6 | 69% | 0.685 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -61.1 | -26.2 | -178 | 53.5 | 0 | 0 | 0 | 0 | 114.1 | L262 I266 T267 S268 | L262-S264 PolarHBondContact O-N 3.37Å; S264-I266 VanDerWaalsContact C-N 3.34Å; S264-T267 WeakPolarHBondContact CA-OG1 3.33Å; S264-T267 PolarHBondContact O-OG1 3.28Å; S264-S268 PolarHBondContact O-N 3.48Å |
| 265 | E | 56.7 | Low | 72.1 | Confident | 162 Ų | 162 | 66.8 Ų | 66.8 | 76% | 0.757 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -65.6 | -37.4 | 174.9 | -97.4 | 172.2 | 160.6 | 0 | 0 | 112.1 | P263 S268 | P263-E265 PolarHBondContact O-N 3.45Å; E265-S268 WeakPolarHBondContact O-CB 3.26Å; E265-S268 PolarHBondContact O-N 3.32Å; E265-S268 PolarHBondContact O-OG 3.17Å |
| 266 | I | 58 | Low | 72.4 | Confident | 65 Ų | 65 | 67.3 Ų | 67.3 | 33% | 0.333 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -78.3 | -28.2 | -174.7 | -56.5 | 170.9 | 0 | 0 | 0 | 111 | P263 S264 S268 Q318 L322 | P263-I266 HydrophobicContact CB-CD1 3.9Å; P263-I266 HydrophobicContact CB-CG1 4.15Å; P263-I266 HydrophobicContact CG-CD1 3.69Å; P263-I266 HydrophobicContact CG-CG1 4.48Å; P263-I266 PolarHBondContact O-N 3.48Å; S264-I266 VanDerWaalsContact C-N 3.34Å; I266-S268 VanDerWaalsContact C-N 3.28Å; I266-Q318 HydrophobicContact CG2-CG 3.7Å; I266-Q318 PolarHBondContact O-OE1 2.99Å; I266-L322 HydrophobicContact CD1-CD1 4.43Å; I266-L322 HydrophobicContact CG2-CD1 3.9Å |
| 267 | T | 66.8 | Low | 72.7 | Confident | 18 Ų | 18 | 64.1 Ų | 64.1 | 11% | 0.11 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -75.3 | -18.1 | 173.4 | 51.7 | 0 | 0 | 0 | 0 | 112.6 | L262 S264 L271 Q318 | L262-T267 HydrophobicContact CB-CG2 4.48Å; S264-T267 WeakPolarHBondContact CA-OG1 3.33Å; S264-T267 PolarHBondContact O-OG1 3.28Å; T267-L271 WeakPolarHBondContact O-CB 3.36Å; T267-L271 PolarHBondContact O-N 3.41Å; T267-Q318 HydrophobicContact CG2-CB 4.37Å; T267-Q318 HydrophobicContact CG2-CG 4.3Å |
| 268 | S | 72.7 | Confident | 73.1 | Confident | 52 Ų | 52 | 63.6 Ų | 63.6 | 36% | 0.364 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -66.7 | -42 | -171.2 | 73.2 | 0 | 0 | 0 | 0 | 114.6 | S264 E265 I266 L271 S272 | S264-S268 PolarHBondContact O-N 3.48Å; E265-S268 WeakPolarHBondContact O-CB 3.26Å; E265-S268 PolarHBondContact O-N 3.32Å; E265-S268 PolarHBondContact O-OG 3.17Å; I266-S268 VanDerWaalsContact C-N 3.28Å; S268-L271 PolarHBondContact O-N 3.05Å; S268-S272 WeakPolarHBondContact O-CB 3.46Å; S268-S272 PolarHBondContact O-N 3.37Å |
| 269 | D | 78.4 | Confident | 73.5 | Confident | 93 Ų | 93 | 63.8 Ų | 63.8 | 50% | 0.497 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -66.4 | -43.6 | -179.8 | -79 | -14.7 | 0 | 0 | 0 | 111.3 | M230 S272 A273 | M230-D269 HydrophobicContact CE-CB 3.65Å; D269-S272 PolarHBondContact O-N 2.96Å; D269-A273 PolarHBondContact O-N 3.11Å |
| 270 | L | 82.3 | Confident | 73.6 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -71.9 | -38.1 | 179.1 | -175.5 | 56.2 | 0 | 0 | 0 | 110.3 | M230 L233 S272 A273 T274 V314 F317 | M230-L270 HydrophobicContact CE-CB 3.64Å; M230-L270 HydrophobicContact CE-CD1 4.41Å; M230-L270 HydrophobicContact SD-CD1 4.28Å; L233-L270 HydrophobicContact CB-CD1 3.93Å; L233-L270 HydrophobicContact CD2-CD1 3.88Å; L233-L270 HydrophobicContact CD2-CD2 4.1Å; L233-L270 HydrophobicContact CG-CD1 3.87Å; L233-L270 HydrophobicContact CG-CD2 4.49Å; L270-S272 VanDerWaalsContact C-N 3.34Å; L270-S272 PolarHBondContact O-N 3.37Å; L270-A273 PolarHBondContact O-N 3.46Å; L270-T274 VanDerWaalsContact O-CB 3.28Å; L270-T274 WeakPolarHBondContact O-CB 3.41Å; L270-T274 PolarHBondContact O-N 3.34Å; L270-T274 PolarHBondContact O-OG1 2.84Å; L270-V314 HydrophobicContact CB-CG1 3.95Å; L270-V314 HydrophobicContact CD2-CG1 4.08Å; L270-V314 HydrophobicContact CG-CG1 3.94Å; L270-V314 HydrophobicContact CG-CG2 4.45Å; L270-F317 HydrophobicContact CD2-CB 3.93Å |
| 271 | L | 84.6 | Confident | 73.8 | Confident | 43 Ų | 43 | 59.5 Ų | 59.5 | 23% | 0.225 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.9 | -42.6 | 174.2 | -173.2 | 65.5 | 0 | 0 | 0 | 111.3 | T267 S268 T274 M275 L310 V314 | T267-L271 WeakPolarHBondContact O-CB 3.36Å; T267-L271 PolarHBondContact O-N 3.41Å; S268-L271 PolarHBondContact O-N 3.05Å; L271-T274 PolarHBondContact O-N 2.85Å; L271-M275 HydrophobicContact CG-CE 4.43Å; L271-M275 WeakPolarHBondContact O-CB 3.27Å; L271-M275 WeakPolarHBondContact O-CG 3.44Å; L271-M275 PolarHBondContact O-N 3.13Å; L271-L310 HydrophobicContact CD1-CD2 3.95Å; L271-L310 HydrophobicContact CD1-CG 4.48Å; L271-V314 HydrophobicContact CB-CG1 4.18Å; L271-V314 HydrophobicContact CD1-CG2 4.1Å |
| 272 | S | 84.4 | Confident | 74.2 | Confident | 71 Ų | 71 | 55.4 Ų | 55.4 | 50% | 0.497 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.4 | -49.8 | 174 | -99.5 | 0 | 0 | 0 | 0 | 111.8 | S268 D269 L270 T274 M275 E276 | S268-S272 WeakPolarHBondContact O-CB 3.46Å; S268-S272 PolarHBondContact O-N 3.37Å; D269-S272 PolarHBondContact O-N 2.96Å; L270-S272 VanDerWaalsContact C-N 3.34Å; L270-S272 PolarHBondContact O-N 3.37Å; S272-T274 PolarHBondContact O-N 2.96Å; S272-M275 PolarHBondContact O-N 2.99Å; S272-E276 WeakPolarHBondContact O-CB 3.44Å; S272-E276 PolarHBondContact O-N 2.9Å |
| 273 | A | 80.9 | Confident | 74.5 | Confident | 15 Ų | 15 | 56.6 Ų | 56.6 | 12% | 0.124 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.5 | -36.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | M230 D269 L270 A277 | M230-A273 HydrophobicContact CG-CB 4.42Å; D269-A273 PolarHBondContact O-N 3.11Å; L270-A273 PolarHBondContact O-N 3.46Å; A273-A277 PolarHBondContact O-N 3.1Å |
| 274 | T | 82.9 | Confident | 74.5 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -70.5 | -41.4 | 177.4 | -53.2 | 0 | 0 | 0 | 0 | 111.4 | G234 C237 L270 L271 S272 E276 A277 Q278 L310 V314 | G234-T274 WeakPolarHBondContact CA-OG1 3.46Å; C237-T274 HydrophobicContact CB-CG2 3.79Å; L270-T274 VanDerWaalsContact O-CB 3.28Å; L270-T274 WeakPolarHBondContact O-CB 3.41Å; L270-T274 PolarHBondContact O-N 3.34Å; L270-T274 PolarHBondContact O-OG1 2.84Å; L271-T274 PolarHBondContact O-N 2.85Å; S272-T274 PolarHBondContact O-N 2.96Å; T274-E276 VanDerWaalsContact C-N 3.34Å; T274-A277 WeakPolarHBondContact O-CB 3.31Å; T274-A277 PolarHBondContact O-N 3.12Å; T274-Q278 PolarHBondContact O-N 3.16Å; T274-L310 HydrophobicContact CG2-CD1 3.4Å; T274-L310 VanDerWaalsContact CG2-CD1 3.4Å; T274-L310 HydrophobicContact CG2-CD2 4.3Å; T274-L310 HydrophobicContact CG2-CG 3.87Å; T274-V314 HydrophobicContact CG2-CG2 4.11Å; T274-V314 WeakPolarHBondContact OG1-CG2 3.4Å |
| 275 | M | 82.8 | Confident | 74.3 | Confident | 85 Ų | 85 | 54.1 Ų | 54.1 | 42% | 0.419 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -66.4 | -36.1 | 174.5 | -74.6 | -163.5 | -62.5 | 0 | 0 | 111.8 | L271 S272 Q278 T279 L310 | L271-M275 HydrophobicContact CG-CE 4.43Å; L271-M275 WeakPolarHBondContact O-CB 3.27Å; L271-M275 WeakPolarHBondContact O-CG 3.44Å; L271-M275 PolarHBondContact O-N 3.13Å; S272-M275 PolarHBondContact O-N 2.99Å; M275-Q278 WeakPolarHBondContact O-CB 3.37Å; M275-Q278 PolarHBondContact O-N 2.94Å; M275-T279 WeakPolarHBondContact O-CG2 3.36Å; M275-T279 PolarHBondContact O-N 3.49Å; M275-T279 PolarHBondContact O-OG1 2.92Å; M275-L310 HydrophobicContact CG-CD2 4.13Å |
| 276 | E | 80.7 | Confident | 74.4 | Confident | 123 Ų | 123 | 53.1 Ų | 53.1 | 58% | 0.575 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -65 | -40.6 | 173.5 | -170.4 | -178.6 | 174.4 | 0 | 0 | 111.8 | S272 T274 Q278 T279 T280 | S272-E276 WeakPolarHBondContact O-CB 3.44Å; S272-E276 PolarHBondContact O-N 2.9Å; T274-E276 VanDerWaalsContact C-N 3.34Å; E276-Q278 VanDerWaalsContact C-N 3.32Å; E276-Q278 PolarHBondContact O-N 2.92Å; E276-T279 WeakPolarHBondContact CA-OG1 3.2Å; E276-T279 PolarHBondContact O-N 3.27Å; E276-T279 PolarHBondContact O-OG1 3.32Å; E276-T280 WeakPolarHBondContact O-CB 3.02Å; E276-T280 PolarHBondContact O-N 3.32Å; E276-T280 PolarHBondContact O-OG1 3.01Å |
| 277 | A | 78 | Confident | 74.2 | Confident | 2 Ų | 2 | 56.5 Ų | 56.5 | 2% | 0.017 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.1 | -41.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | V235 A273 T274 A281 | V235-A277 HydrophobicContact CB-CB 4.36Å; V235-A277 HydrophobicContact CG2-CB 3.75Å; A273-A277 PolarHBondContact O-N 3.1Å; T274-A277 WeakPolarHBondContact O-CB 3.31Å; T274-A277 PolarHBondContact O-N 3.12Å; A277-A281 WeakPolarHBondContact O-CB 3.21Å; A277-A281 PolarHBondContact O-N 2.63Å |
| 278 | Q | 82.4 | Confident | 73.2 | Confident | 48 Ų | 48 | 59.2 Ų | 59.2 | 22% | 0.224 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.8 | -52.7 | 175.3 | 175.3 | 173.9 | 6.5 | 0 | 0 | 112 | Y238 T274 M275 E276 T280 A281 E282 | Y238-Q278 HydrophobicContact CD2-CB 3.6Å; Y238-Q278 HydrophobicContact CD2-CG 4.11Å; Y238-Q278 HydrophobicContact CE2-CB 3.45Å; Y238-Q278 VanDerWaalsContact CE2-CB 3.45Å; Y238-Q278 HydrophobicContact CE2-CG 3.48Å; Y238-Q278 VanDerWaalsContact CE2-CG 3.48Å; Y238-Q278 HydrophobicContact CG-CB 4.35Å; T274-Q278 PolarHBondContact O-N 3.16Å; M275-Q278 WeakPolarHBondContact O-CB 3.37Å; M275-Q278 PolarHBondContact O-N 2.94Å; E276-Q278 VanDerWaalsContact C-N 3.32Å; E276-Q278 PolarHBondContact O-N 2.92Å; Q278-T280 PolarHBondContact O-N 3.3Å; Q278-A281 WeakPolarHBondContact O-CB 3.16Å; Q278-A281 PolarHBondContact O-N 3.35Å; Q278-A281 VanDerWaalsContact O-N 3.16Å; Q278-E282 HydrophobicContact CG-CG 4.38Å; Q278-E282 VanDerWaalsContact CG-OE1 3.29Å; Q278-E282 WeakPolarHBondContact CG-OE1 3.47Å; Q278-E282 PolarHBondContact NE2-OE1 3.46Å; Q278-E282 WeakPolarHBondContact O-CB 3.18Å; Q278-E282 WeakPolarHBondContact O-CG 3.44Å; Q278-E282 PolarHBondContact O-N 3.5Å |
| 279 | T | 78.8 | Confident | 71.9 | Confident | 82 Ų | 82 | 58.8 Ų | 58.8 | 50% | 0.503 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.5 | -35.2 | -176.7 | 53.7 | 0 | 0 | 0 | 0 | 111.5 | M275 E276 S283 | M275-T279 WeakPolarHBondContact O-CG2 3.36Å; M275-T279 PolarHBondContact O-N 3.49Å; M275-T279 PolarHBondContact O-OG1 2.92Å; E276-T279 WeakPolarHBondContact CA-OG1 3.2Å; E276-T279 PolarHBondContact O-N 3.27Å; E276-T279 PolarHBondContact O-OG1 3.32Å; T279-S283 WeakPolarHBondContact O-CB 3.43Å; T279-S283 PolarHBondContact O-N 2.8Å; T279-S283 PolarHBondContact O-OG 2.67Å |
| 280 | T | 77 | Confident | 70.6 | Confident | 23 Ų | 23 | 61.5 Ų | 61.5 | 14% | 0.141 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -72.7 | -40 | 176.2 | -51.3 | 0 | 0 | 0 | 0 | 111.9 | W43 Q44 E276 Q278 E282 S283 H284 | W43-T280 HydrophobicContact CH2-CG2 3.14Å; W43-T280 WeakPolarHBondContact CH2-OG1 3.36Å; W43-T280 HydrophobicContact CZ2-CG2 4.02Å; W43-T280 HydrophobicContact CZ3-CG2 3.49Å; W43-T280 VanDerWaalsContact CZ3-CG2 3.49Å; Q44-T280 HydrophobicContact CG-CG2 4.05Å; E276-T280 WeakPolarHBondContact O-CB 3.02Å; E276-T280 PolarHBondContact O-N 3.32Å; E276-T280 PolarHBondContact O-OG1 3.01Å; Q278-T280 PolarHBondContact O-N 3.3Å; T280-E282 VanDerWaalsContact C-N 3.31Å; T280-E282 PolarHBondContact O-N 3.28Å; T280-S283 WeakPolarHBondContact CA-OG 3.46Å; T280-S283 PolarHBondContact O-N 2.83Å; T280-S283 PolarHBondContact O-OG 2.71Å; T280-H284 PolarHBondContact O-CD2 2.71Å; T280-H284 PolarHBondContact O-N 3.03Å |
| 281 | A | 70.4 | Confident | 68.8 | Low | 10 Ų | 10 | 68.5 Ų | 68.5 | 8% | 0.083 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -58.8 | -45.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L47 Y238 A277 Q278 H284 L285 | L47-A281 VanDerWaalsContact CD1-CA 3.42Å; L47-A281 HydrophobicContact CD1-CB 3.79Å; L47-A281 HydrophobicContact CD2-CB 3.53Å; L47-A281 HydrophobicContact CG-CB 4.15Å; Y238-A281 HydrophobicContact CD1-CB 4.39Å; Y238-A281 HydrophobicContact CE1-CB 3.46Å; Y238-A281 VanDerWaalsContact CE1-CB 3.46Å; A277-A281 WeakPolarHBondContact O-CB 3.21Å; A277-A281 PolarHBondContact O-N 2.63Å; Q278-A281 WeakPolarHBondContact O-CB 3.16Å; Q278-A281 PolarHBondContact O-N 3.35Å; Q278-A281 VanDerWaalsContact O-N 3.16Å; A281-H284 PolarHBondContact O-N 3.46Å; A281-L285 PolarHBondContact O-N 3.33Å |
| 282 | E | 73.8 | Confident | 66.7 | Low | 76 Ų | 76 | 71.7 Ų | 71.7 | 36% | 0.355 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -68.8 | -34.9 | 179.2 | -71.2 | 178.2 | -169.9 | 0 | 0 | 112.5 | Q278 T280 L285 K286 | Q278-E282 HydrophobicContact CG-CG 4.38Å; Q278-E282 VanDerWaalsContact CG-OE1 3.29Å; Q278-E282 WeakPolarHBondContact CG-OE1 3.47Å; Q278-E282 PolarHBondContact NE2-OE1 3.46Å; Q278-E282 WeakPolarHBondContact O-CB 3.18Å; Q278-E282 WeakPolarHBondContact O-CG 3.44Å; Q278-E282 PolarHBondContact O-N 3.5Å; T280-E282 VanDerWaalsContact C-N 3.31Å; T280-E282 PolarHBondContact O-N 3.28Å; E282-L285 PolarHBondContact O-N 3.31Å; E282-K286 WeakPolarHBondContact O-CG 3.43Å; E282-K286 PolarHBondContact O-N 3.04Å |
| 283 | S | 69.4 | Low | 64.3 | Low | 53 Ų | 53 | 73.4 Ų | 73.4 | 37% | 0.371 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -68 | -41.8 | 176.5 | 72.3 | 0 | 0 | 0 | 0 | 111.6 | T279 T280 L285 K286 Q287 | T279-S283 WeakPolarHBondContact O-CB 3.43Å; T279-S283 PolarHBondContact O-N 2.8Å; T279-S283 PolarHBondContact O-OG 2.67Å; T280-S283 WeakPolarHBondContact CA-OG 3.46Å; T280-S283 PolarHBondContact O-N 2.83Å; T280-S283 PolarHBondContact O-OG 2.71Å; S283-L285 VanDerWaalsContact C-N 3.32Å; S283-L285 PolarHBondContact O-N 3.22Å; S283-K286 PolarHBondContact O-N 3.19Å; S283-Q287 WeakPolarHBondContact O-CB 3.47Å; S283-Q287 PolarHBondContact O-N 3.36Å |
| 284 | H | 60.8 | Low | 62.2 | Low | 57 Ų | 57 | 79.6 Ų | 79.6 | 26% | 0.264 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -63.5 | -38.3 | 173.8 | -80 | -70.5 | 0 | 0 | 0 | 112.2 | Q44 T280 A281 Q287 C288 | Q44-H284 WeakPolarHBondContact CB-NE2 3.3Å; Q44-H284 VanDerWaalsContact CD-NE2 3.35Å; Q44-H284 WeakPolarHBondContact CG-NE2 3.49Å; Q44-H284 PolarHBondContact OE1-NE2 3.09Å; T280-H284 PolarHBondContact O-CD2 2.71Å; T280-H284 PolarHBondContact O-N 3.03Å; A281-H284 PolarHBondContact O-N 3.46Å; H284-Q287 PolarHBondContact O-N 3.02Å; H284-C288 WeakPolarHBondContact O-CB 3.34Å; H284-C288 PolarHBondContact O-N 3.28Å; H284-C288 PolarHBondContact O-SG 2.89Å; H284-C288 VanDerWaalsContact O-SG 3.37Å |
| 285 | L | 58.5 | Low | 59.7 | Low | 58 Ų | 58 | 86 Ų | 86 | 30% | 0.304 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64.3 | -42.3 | 175.5 | -157.6 | 82.6 | 0 | 0 | 0 | 111.6 | A281 E282 S283 N289 | A281-L285 PolarHBondContact O-N 3.33Å; E282-L285 PolarHBondContact O-N 3.31Å; S283-L285 VanDerWaalsContact C-N 3.32Å; S283-L285 PolarHBondContact O-N 3.22Å; L285-N289 WeakPolarHBondContact O-CB 3.49Å; L285-N289 PolarHBondContact O-N 3.16Å; L285-N289 PolarHBondContact O-ND2 3.37Å; L285-N289 VanDerWaalsContact O-ND2 3.13Å |
| 286 | K | 58.1 | Low | 57.7 | Low | 142 Ų | 142 | 88.1 Ų | 88.1 | 62% | 0.617 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -64.8 | -40.1 | 175.8 | -75.6 | 176.6 | -177 | 175.5 | 0 | 111.9 | E282 S283 N289 Q290 | E282-K286 WeakPolarHBondContact O-CG 3.43Å; E282-K286 PolarHBondContact O-N 3.04Å; S283-K286 PolarHBondContact O-N 3.19Å; K286-N289 PolarHBondContact O-N 3.37Å; K286-Q290 PolarHBondContact O-N 3.09Å; K286-Q290 VanDerWaalsContact O-N 3.16Å |
| 287 | Q | 54 | Low | 55.4 | Low | 135 Ų | 135 | 89.2 Ų | 89.2 | 63% | 0.631 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -71 | -36.8 | -179.1 | -167.7 | 146.8 | -0.9 | 0 | 0 | 112.6 | S283 H284 N289 Q290 | S283-Q287 WeakPolarHBondContact O-CB 3.47Å; S283-Q287 PolarHBondContact O-N 3.36Å; H284-Q287 PolarHBondContact O-N 3.02Å; Q287-N289 VanDerWaalsContact C-N 3.31Å; Q287-N289 PolarHBondContact O-N 2.83Å; Q287-Q290 PolarHBondContact O-N 3.24Å |
| 288 | C | 45.6 | Very low | 53.4 | Low | 75 Ų | 75 | 93.8 Ų | 93.8 | 51% | 0.507 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68.6 | -28.3 | 172.7 | -72.7 | 0 | 0 | 0 | 0 | 113.2 | H284 | H284-C288 WeakPolarHBondContact O-CB 3.34Å; H284-C288 PolarHBondContact O-N 3.28Å; H284-C288 PolarHBondContact O-SG 2.89Å; H284-C288 VanDerWaalsContact O-SG 3.37Å |
| 289 | N | 47.1 | Very low | 51.6 | Low | 44 Ų | 44 | 97.8 Ų | 97.8 | 24% | 0.235 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -88.6 | -7 | 179.8 | -72.9 | -28.9 | 0 | 0 | 0 | 113.6 | L285 K286 Q287 D291 N292 | L285-N289 WeakPolarHBondContact O-CB 3.49Å; L285-N289 PolarHBondContact O-N 3.16Å; L285-N289 PolarHBondContact O-ND2 3.37Å; L285-N289 VanDerWaalsContact O-ND2 3.13Å; K286-N289 PolarHBondContact O-N 3.37Å; Q287-N289 VanDerWaalsContact C-N 3.31Å; Q287-N289 PolarHBondContact O-N 2.83Å; N289-D291 VanDerWaalsContact C-N 3.3Å; N289-N292 CarbonylContact O-C 3.6Å; N289-N292 PolarHBondContact O-N 3.01Å |
| 290 | Q | 50.1 | Low | 49.5 | Very low | 149 Ų | 149 | 97.7 Ų | 97.7 | 70% | 0.696 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -20.2 | -178.8 | -141.7 | 155.5 | -7.2 | 0 | 0 | 112.8 | K286 Q287 N292 | K286-Q290 PolarHBondContact O-N 3.09Å; K286-Q290 VanDerWaalsContact O-N 3.16Å; Q287-Q290 PolarHBondContact O-N 3.24Å; Q290-N292 VanDerWaalsContact C-N 3.25Å; Q290-N292 PolarHBondContact O-N 3.3Å |
| 291 | D | 44.8 | Very low | 47.5 | Very low | 147 Ų | 147 | 104.5 Ų | 104.5 | 79% | 0.786 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | -13 | 172.4 | -70.4 | -28.1 | 0 | 0 | 0 | 112.9 | N289 | N289-D291 VanDerWaalsContact C-N 3.3Š|
| 292 | N | 39.5 | Very low | 46.1 | Very low | 111 Ų | 111 | 107.6 Ų | 107.6 | 59% | 0.594 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -119.2 | 80.3 | -179.7 | -56.8 | 2.7 | 0 | 0 | 0 | 108.4 | N289 Q290 N294 | N289-N292 CarbonylContact O-C 3.6Å; N289-N292 PolarHBondContact O-N 3.01Å; Q290-N292 VanDerWaalsContact C-N 3.25Å; Q290-N292 PolarHBondContact O-N 3.3Å; N292-N294 VanDerWaalsContact C-N 3.33Å; N292-N294 PolarHBondContact O-N 3.33Å |
| 293 | S | 34.1 | Very low | 45 | Very low | 106 Ų | 106 | 108.1 Ų | 108.1 | 74% | 0.741 | 58% | 0.584 | S | S | * | * | trans | -57.3 | 99.2 | 166.1 | -71 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 294 | N | 36.7 | Very low | 44.1 | Very low | 145 Ų | 145 | 112.3 Ų | 112.3 | 78% | 0.775 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -178.1 | 105.7 | 141.9 | -80.4 | -22.9 | 0 | 0 | 0 | 109.5 | N292 | N292-N294 VanDerWaalsContact C-N 3.33Å; N292-N294 PolarHBondContact O-N 3.33Å |
| 295 | T | 32.1 | Very low | 44 | Very low | 135 Ų | 135 | 114.2 Ų | 114.2 | 83% | 0.828 | 61% | 0.614 | S | S | * | * | trans | 49.2 | 86.2 | 150.3 | -42.4 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 296 | I | 39.2 | Very low | 44.2 | Very low | 130 Ų | 130 | 114.2 Ų | 114.2 | 67% | 0.667 | 61% | 0.614 | S | S | * | * | trans | -124.3 | 114.6 | 155.5 | -58.4 | -175.4 | 0 | 0 | 0 | 108.3 | ||||
| 297 | Q | 33.6 | Very low | 44.5 | Very low | 145 Ų | 145 | 114.4 Ų | 114.4 | 68% | 0.678 | 62% | 0.615 | S | S | * | * | trans | -55.6 | 139.2 | 171.4 | -69.3 | -164.7 | 0.4 | 0 | 0 | 109.3 | I299 | Q297-I299 PolarHBondContact O-N 3.49Š| ||
| 298 | P | 35.5 | Very low | 45.6 | Very low | 98 Ų | 98 | 112.8 Ų | 112.8 | 64% | 0.636 | 61% | 0.611 | S | S | * | * | trans | -53.2 | 130 | 167.9 | 23.4 | -30.7 | 0 | 0 | 0 | 107.5 | T300 | P298-T300 VanDerWaalsContact C-OG1 3.27Å; P298-T300 WeakPolarHBondContact CB-OG1 3.48Å; P298-T300 WeakPolarHBondContact CG-OG1 3.43Å; P298-T300 WeakPolarHBondContact O-CB 3.38Å; P298-T300 PolarHBondContact O-N 3.16Å; P298-T300 PolarHBondContact O-OG1 3.37Å | ||
| 299 | I | 43.9 | Very low | 47.3 | Very low | 133 Ų | 133 | 111.3 Ų | 111.3 | 68% | 0.682 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -59.5 | 87.4 | 173.8 | -56.4 | 168.5 | 0 | 0 | 0 | 106.7 | Q297 | Q297-I299 PolarHBondContact O-N 3.49Š|
| 300 | T | 34.9 | Very low | 49 | Very low | 80 Ų | 80 | 109.6 Ų | 109.6 | 49% | 0.491 | 59% | 0.589 | S | S | . | * | trans | -115.8 | -0.5 | -170.2 | -40.5 | 0 | 0 | 0 | 0 | 111.5 | P298 | P298-T300 VanDerWaalsContact C-OG1 3.27Å; P298-T300 WeakPolarHBondContact CB-OG1 3.48Å; P298-T300 WeakPolarHBondContact CG-OG1 3.43Å; P298-T300 WeakPolarHBondContact O-CB 3.38Å; P298-T300 PolarHBondContact O-N 3.16Å; P298-T300 PolarHBondContact O-OG1 3.37Å | ||
| 301 | N | 34.7 | Very low | 50.5 | Low | 165 Ų | 165 | 105 Ų | 105 | 88% | 0.882 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -97.5 | 10.6 | -175.4 | -90.3 | 1.9 | 0 | 0 | 0 | 115.9 | ||
| 302 | N | 41.1 | Very low | 52.3 | Low | 76 Ų | 76 | 99.1 Ų | 99.1 | 41% | 0.406 | 54% | 0.539 | S | S | . | . | S | Bend | trans | -137.8 | 18.7 | 175.9 | -133.8 | 7.2 | 0 | 0 | 0 | 114.7 | N304 N305 N306 | N302-N304 VanDerWaalsContact C-N 3.29Å; N302-N304 PolarHBondContact O-N 3.46Å; N302-N305 PolarHBondContact O-N 3.16Å; N302-N305 PolarHBondContact OD1-ND2 2.91Å; N302-N305 VanDerWaalsContact OD1-ND2 3.16Å; N302-N306 WeakPolarHBondContact O-CB 3.28Å; N302-N306 PolarHBondContact O-N 3.27Å |
| 303 | N | 50.5 | Low | 54.5 | Low | 87 Ų | 87 | 93.9 Ų | 93.9 | 47% | 0.465 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.9 | -33.1 | -171.9 | -86.3 | -9.3 | 0 | 0 | 0 | 113.9 | K307 | N303-K307 WeakPolarHBondContact O-CB 3.46Å; N303-K307 PolarHBondContact O-N 3.45Å |
| 304 | N | 51.3 | Low | 56.9 | Low | 140 Ų | 140 | 88.9 Ų | 88.9 | 75% | 0.749 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -74.8 | -43 | -179.9 | -70.8 | -8.8 | 0 | 0 | 0 | 112.3 | N302 N308 | N302-N304 VanDerWaalsContact C-N 3.29Å; N302-N304 PolarHBondContact O-N 3.46Å; N304-N308 WeakPolarHBondContact O-CB 3.48Å; N304-N308 PolarHBondContact O-N 3.48Å |
| 305 | N | 59.3 | Low | 59.2 | Low | 98 Ų | 98 | 82.5 Ų | 82.5 | 52% | 0.524 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -69.5 | -41.7 | 177.8 | -70.7 | -21.4 | 0 | 0 | 0 | 111.5 | N302 N308 N309 | N302-N305 PolarHBondContact O-N 3.16Å; N302-N305 PolarHBondContact OD1-ND2 2.91Å; N302-N305 VanDerWaalsContact OD1-ND2 3.16Å; N305-N308 PolarHBondContact O-N 3.05Å; N305-N309 WeakPolarHBondContact O-CB 3.43Å; N305-N309 VanDerWaalsContact O-CG 3.24Å; N305-N309 PolarHBondContact O-N 3.2Å; N305-N309 PolarHBondContact O-ND2 3.22Å |
| 306 | N | 62.6 | Low | 61.7 | Low | 58 Ų | 58 | 76 Ų | 76 | 31% | 0.31 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65 | -40.7 | 176.9 | -79.8 | 5.5 | 0 | 0 | 0 | 111.7 | N302 N308 N309 L310 | N302-N306 WeakPolarHBondContact O-CB 3.28Å; N302-N306 PolarHBondContact O-N 3.27Å; N306-N308 VanDerWaalsContact C-N 3.31Å; N306-N308 PolarHBondContact O-N 2.91Å; N306-N309 PolarHBondContact O-N 2.91Å; N306-L310 VanDerWaalsContact O-CB 3.29Å; N306-L310 WeakPolarHBondContact O-CB 3.49Å; N306-L310 PolarHBondContact O-N 3.48Å |
| 307 | K | 64.8 | Low | 63.9 | Low | 146 Ų | 146 | 69.9 Ų | 69.9 | 64% | 0.635 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -64.7 | -38.1 | 176.1 | -170.5 | 169 | -175.5 | 172.2 | 0 | 111.7 | N303 T311 | N303-K307 WeakPolarHBondContact O-CB 3.46Å; N303-K307 PolarHBondContact O-N 3.45Å; K307-T311 WeakPolarHBondContact O-CB 3.29Å; K307-T311 PolarHBondContact O-N 2.8Å; K307-T311 PolarHBondContact O-OG1 3.33Å |
| 308 | N | 76.2 | Confident | 66.2 | Low | 101 Ų | 101 | 64 Ų | 64 | 54% | 0.54 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -67.7 | -45 | 175.8 | -152.2 | 28 | 0 | 0 | 0 | 111.3 | N304 N305 N306 L310 T311 M312 | N304-N308 WeakPolarHBondContact O-CB 3.48Å; N304-N308 PolarHBondContact O-N 3.48Å; N305-N308 PolarHBondContact O-N 3.05Å; N306-N308 VanDerWaalsContact C-N 3.31Å; N306-N308 PolarHBondContact O-N 2.91Å; N308-L310 VanDerWaalsContact C-N 3.34Å; N308-L310 PolarHBondContact O-N 2.86Å; N308-T311 PolarHBondContact O-N 3.43Å; N308-M312 WeakPolarHBondContact O-CB 3.12Å; N308-M312 VanDerWaalsContact O-CG 3.27Å; N308-M312 WeakPolarHBondContact O-CG 3.29Å; N308-M312 PolarHBondContact O-N 2.82Å |
| 309 | N | 81 | Confident | 68.4 | Low | 44 Ų | 44 | 60.1 Ų | 60.1 | 24% | 0.235 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.6 | -40.1 | 175.5 | -72.6 | -21.5 | 0 | 0 | 0 | 112.5 | S241 W245 N305 N306 M312 T313 | S241-N309 WeakPolarHBondContact O-CB 3.42Å; W245-N309 PolarHBondContact NE1-OD1 3.26Å; N305-N309 WeakPolarHBondContact O-CB 3.43Å; N305-N309 VanDerWaalsContact O-CG 3.24Å; N305-N309 PolarHBondContact O-N 3.2Å; N305-N309 PolarHBondContact O-ND2 3.22Å; N306-N309 PolarHBondContact O-N 2.91Å; N309-M312 PolarHBondContact O-N 3.05Å; N309-T313 WeakPolarHBondContact O-CB 3.37Å; N309-T313 PolarHBondContact O-N 3.02Å; N309-T313 PolarHBondContact O-OG1 2.85Å |
| 310 | L | 83.6 | Confident | 70.1 | Confident | 8 Ų | 8 | 53.8 Ų | 53.8 | 4% | 0.042 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.4 | -50.7 | 175.1 | -163.3 | 83.6 | 0 | 0 | 0 | 110.5 | Y238 S241 L271 T274 M275 N306 N308 M312 T313 V314 | Y238-L310 HydrophobicContact CD2-CD1 4.12Å; S241-L310 VanDerWaalsContact OG-CD1 3.26Å; S241-L310 WeakPolarHBondContact OG-CD1 3.4Å; L271-L310 HydrophobicContact CD1-CD2 3.95Å; L271-L310 HydrophobicContact CD1-CG 4.48Å; T274-L310 HydrophobicContact CG2-CD1 3.4Å; T274-L310 VanDerWaalsContact CG2-CD1 3.4Å; T274-L310 HydrophobicContact CG2-CD2 4.3Å; T274-L310 HydrophobicContact CG2-CG 3.87Å; M275-L310 HydrophobicContact CG-CD2 4.13Å; N306-L310 VanDerWaalsContact O-CB 3.29Å; N306-L310 WeakPolarHBondContact O-CB 3.49Å; N306-L310 PolarHBondContact O-N 3.48Å; N308-L310 VanDerWaalsContact C-N 3.34Å; N308-L310 PolarHBondContact O-N 2.86Å; L310-M312 VanDerWaalsContact C-N 3.33Å; L310-M312 PolarHBondContact O-N 2.86Å; L310-T313 PolarHBondContact O-N 3.21Å; L310-V314 WeakPolarHBondContact O-CB 3.4Å; L310-V314 VanDerWaalsContact O-CG2 3.28Å; L310-V314 WeakPolarHBondContact O-CG2 3.49Å; L310-V314 PolarHBondContact O-N 2.66Å |
| 311 | T | 81.8 | Confident | 72.3 | Confident | 52 Ų | 52 | 50.9 Ų | 50.9 | 32% | 0.319 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.1 | -44.4 | -179.5 | -51.8 | 0 | 0 | 0 | 0 | 110.4 | K307 N308 T313 V314 S315 | K307-T311 WeakPolarHBondContact O-CB 3.29Å; K307-T311 PolarHBondContact O-N 2.8Å; K307-T311 PolarHBondContact O-OG1 3.33Å; N308-T311 PolarHBondContact O-N 3.43Å; T311-T313 PolarHBondContact O-N 3.44Å; T311-V314 PolarHBondContact O-N 3.3Å; T311-S315 WeakPolarHBondContact O-CB 3.41Å; T311-S315 PolarHBondContact O-N 3.41Å; T311-S315 PolarHBondContact O-OG 3.03Å; T311-S315 VanDerWaalsContact O-OG 3.09Å |
| 312 | M | 81.7 | Confident | 74.3 | Confident | 24 Ų | 24 | 47.4 Ų | 47.4 | 12% | 0.118 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.3 | -41 | 177.3 | -71.2 | -59.5 | -77.7 | 0 | 0 | 112.7 | W245 F259 N308 N309 L310 S315 M316 | W245-M312 HydrophobicContact CD2-CB 4.39Å; W245-M312 HydrophobicContact CE3-CB 4.28Å; W245-M312 HydrophobicContact CH2-CB 3.58Å; W245-M312 HydrophobicContact CH2-CE 3.81Å; W245-M312 HydrophobicContact CH2-CG 3.95Å; W245-M312 HydrophobicContact CZ2-CB 3.68Å; W245-M312 HydrophobicContact CZ2-CG 4.1Å; W245-M312 HydrophobicContact CZ3-CB 3.9Å; W245-M312 HydrophobicContact CZ3-CE 4.21Å; F259-M312 HydrophobicContact CB-CE 4.28Å; F259-M312 HydrophobicContact CD2-CE 3.96Å; N308-M312 WeakPolarHBondContact O-CB 3.12Å; N308-M312 VanDerWaalsContact O-CG 3.27Å; N308-M312 WeakPolarHBondContact O-CG 3.29Å; N308-M312 PolarHBondContact O-N 2.82Å; N309-M312 PolarHBondContact O-N 3.05Å; L310-M312 VanDerWaalsContact C-N 3.33Å; L310-M312 PolarHBondContact O-N 2.86Å; M312-S315 PolarHBondContact O-N 3.06Å; M312-M316 WeakPolarHBondContact O-CB 3.35Å; M312-M316 PolarHBondContact O-N 3.2Å |
| 313 | T | 85.6 | Confident | 75.8 | Confident | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.006 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.9 | -42.1 | 177.9 | -52.6 | 0 | 0 | 0 | 0 | 111.1 | C237 L240 S241 W245 N309 L310 T311 M316 F317 | C237-T313 HydrophobicContact CB-CG2 4.23Å; C237-T313 WeakPolarHBondContact O-CG2 3.31Å; L240-T313 HydrophobicContact CB-CG2 3.86Å; S241-T313 WeakPolarHBondContact CA-OG1 3.4Å; W245-T313 HydrophobicContact CB-CG2 3.96Å; W245-T313 WeakPolarHBondContact CB-OG1 3.49Å; W245-T313 VanDerWaalsContact CG-OG1 3.27Å; N309-T313 WeakPolarHBondContact O-CB 3.37Å; N309-T313 PolarHBondContact O-N 3.02Å; N309-T313 PolarHBondContact O-OG1 2.85Å; L310-T313 PolarHBondContact O-N 3.21Å; T311-T313 PolarHBondContact O-N 3.44Å; T313-M316 WeakPolarHBondContact O-CB 3.48Å; T313-M316 PolarHBondContact O-N 2.84Å; T313-F317 HydrophobicContact CG2-CD2 4.25Å; T313-F317 PolarHBondContact O-N 3.43Å |
| 314 | V | 85.2 | Confident | 76.8 | Confident | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.006 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.3 | -47.6 | 175.2 | 168.2 | 0 | 0 | 0 | 0 | 110.5 | C237 L270 L271 T274 L310 T311 M316 F317 Q318 | C237-V314 HydrophobicContact CB-CG2 4.27Å; L270-V314 HydrophobicContact CB-CG1 3.95Å; L270-V314 HydrophobicContact CD2-CG1 4.08Å; L270-V314 HydrophobicContact CG-CG1 3.94Å; L270-V314 HydrophobicContact CG-CG2 4.45Å; L271-V314 HydrophobicContact CB-CG1 4.18Å; L271-V314 HydrophobicContact CD1-CG2 4.1Å; T274-V314 HydrophobicContact CG2-CG2 4.11Å; T274-V314 WeakPolarHBondContact OG1-CG2 3.4Å; L310-V314 WeakPolarHBondContact O-CB 3.4Å; L310-V314 VanDerWaalsContact O-CG2 3.28Å; L310-V314 WeakPolarHBondContact O-CG2 3.49Å; L310-V314 PolarHBondContact O-N 2.66Å; T311-V314 PolarHBondContact O-N 3.3Å; V314-M316 VanDerWaalsContact C-N 3.31Å; V314-M316 PolarHBondContact O-N 3.41Å; V314-F317 PolarHBondContact O-N 3.45Å; V314-Q318 VanDerWaalsContact O-CB 3.26Å; V314-Q318 WeakPolarHBondContact O-CB 3.41Å; V314-Q318 PolarHBondContact O-N 2.73Å |
| 315 | S | 84 | Confident | 77.6 | Confident | 10 Ų | 10 | 45 Ų | 45 | 7% | 0.07 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62 | -38.7 | 177.6 | -65.8 | 0 | 0 | 0 | 0 | 112.3 | T311 M312 Q318 Y319 | T311-S315 WeakPolarHBondContact O-CB 3.41Å; T311-S315 PolarHBondContact O-N 3.41Å; T311-S315 PolarHBondContact O-OG 3.03Å; T311-S315 VanDerWaalsContact O-OG 3.09Å; M312-S315 PolarHBondContact O-N 3.06Å; S315-Q318 PolarHBondContact O-N 2.95Å; S315-Y319 WeakPolarHBondContact O-CB 3.48Å; S315-Y319 PolarHBondContact O-N 2.97Å |
| 316 | M | 85.4 | Confident | 78.3 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.4 | -50.5 | 174.2 | 176.9 | -166.6 | 142.2 | 0 | 0 | 111.5 | L248 A249 L252 L254 F259 M312 T313 V314 Q318 Y319 M320 | L248-M316 HydrophobicContact CB-CE 4.12Å; L248-M316 HydrophobicContact CD2-CE 3.47Å; L248-M316 VanDerWaalsContact CD2-CE 3.47Å; L248-M316 HydrophobicContact CG-CE 3.65Å; A249-M316 HydrophobicContact CB-SD 3.88Å; L252-M316 HydrophobicContact CD1-CE 4.21Å; L254-M316 HydrophobicContact CD1-CE 3.93Å; L254-M316 HydrophobicContact CD1-CG 3.99Å; L254-M316 HydrophobicContact CD1-SD 4.5Å; F259-M316 HydrophobicContact CD2-CB 4.07Å; F259-M316 HydrophobicContact CE1-CB 4.23Å; F259-M316 HydrophobicContact CE1-CG 4.22Å; F259-M316 HydrophobicContact CE2-CB 3.7Å; F259-M316 HydrophobicContact CE2-CG 3.91Å; F259-M316 HydrophobicContact CG-CB 4.49Å; F259-M316 HydrophobicContact CZ-CB 3.81Å; F259-M316 HydrophobicContact CZ-CG 3.64Å; M312-M316 WeakPolarHBondContact O-CB 3.35Å; M312-M316 PolarHBondContact O-N 3.2Å; T313-M316 WeakPolarHBondContact O-CB 3.48Å; T313-M316 PolarHBondContact O-N 2.84Å; V314-M316 VanDerWaalsContact C-N 3.31Å; V314-M316 PolarHBondContact O-N 3.41Å; M316-Q318 VanDerWaalsContact C-N 3.3Å; M316-Q318 PolarHBondContact O-N 3.4Å; M316-Y319 WeakPolarHBondContact O-CB 3.41Å; M316-Y319 PolarHBondContact O-N 3.12Å; M316-M320 HydrophobicContact CE-CE 3.42Å; M316-M320 VanDerWaalsContact CE-CE 3.42Å; M316-M320 HydrophobicContact CE-SD 3.83Å; M316-M320 HydrophobicContact CG-CE 4.28Å; M316-M320 WeakPolarHBondContact O-CG 3.09Å; M316-M320 PolarHBondContact O-N 3.03Å |
| 317 | F | 85 | Confident | 79.1 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.9 | -36.7 | 178.4 | -96.6 | -87.3 | 0 | 0 | 0 | 112.5 | I225 L233 I236 L240 L248 L270 T313 V314 Y319 M320 C321 L331 | I225-F317 HydrophobicContact CG2-CD1 4.38Å; I225-F317 HydrophobicContact CG2-CE1 4.48Å; L233-F317 HydrophobicContact CD1-CD1 3.51Å; L233-F317 HydrophobicContact CD1-CE1 3.71Å; L233-F317 HydrophobicContact CD1-CG 4.44Å; L233-F317 HydrophobicContact CG-CD1 4.2Å; I236-F317 HydrophobicContact CG2-CE1 4.31Å; I236-F317 HydrophobicContact CG2-CE2 4.26Å; I236-F317 HydrophobicContact CG2-CZ 3.71Å; L240-F317 HydrophobicContact CD1-CE2 3.59Å; L240-F317 HydrophobicContact CD1-CZ 3.87Å; L248-F317 HydrophobicContact CD2-CE2 4.2Å; L248-F317 HydrophobicContact CD2-CZ 4.36Å; L270-F317 HydrophobicContact CD2-CB 3.93Å; T313-F317 HydrophobicContact CG2-CD2 4.25Å; T313-F317 PolarHBondContact O-N 3.43Å; V314-F317 PolarHBondContact O-N 3.45Å; F317-Y319 VanDerWaalsContact C-N 3.34Å; F317-M320 HydrophobicContact CB-CE 4.18Å; F317-M320 HydrophobicContact CD1-CE 3.41Å; F317-M320 VanDerWaalsContact CD1-CE 3.41Å; F317-M320 HydrophobicContact CD2-CE 3.67Å; F317-M320 HydrophobicContact CE1-CE 3.57Å; F317-M320 HydrophobicContact CE2-CE 3.8Å; F317-M320 HydrophobicContact CG-CE 3.49Å; F317-M320 VanDerWaalsContact CG-CE 3.49Å; F317-M320 HydrophobicContact CZ-CE 3.76Å; F317-M320 PolarHBondContact O-N 3.36Å; F317-C321 WeakPolarHBondContact O-CB 2.94Å; F317-C321 PolarHBondContact O-N 3.46Å; F317-C321 PolarHBondContact O-SG 3.46Å; F317-L331 HydrophobicContact CE1-CD1 4.19Å; F317-L331 HydrophobicContact CE1-CD2 3.89Å; F317-L331 HydrophobicContact CZ-CD1 3.98Å; F317-L331 HydrophobicContact CZ-CD2 4.37Å |
| 318 | Q | 83 | Confident | 79.6 | Confident | 21 Ų | 21 | 33.4 Ų | 33.4 | 10% | 0.098 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.6 | -41.6 | 175.4 | -163.5 | 61.5 | 40.5 | 0 | 0 | 111.3 | L262 I266 T267 V314 S315 M316 C321 L322 | L262-Q318 HydrophobicContact CD2-CB 4.07Å; L262-Q318 HydrophobicContact CD2-CG 3.95Å; I266-Q318 HydrophobicContact CG2-CG 3.7Å; I266-Q318 PolarHBondContact O-OE1 2.99Å; T267-Q318 HydrophobicContact CG2-CB 4.37Å; T267-Q318 HydrophobicContact CG2-CG 4.3Å; V314-Q318 VanDerWaalsContact O-CB 3.26Å; V314-Q318 WeakPolarHBondContact O-CB 3.41Å; V314-Q318 PolarHBondContact O-N 2.73Å; S315-Q318 PolarHBondContact O-N 2.95Å; M316-Q318 VanDerWaalsContact C-N 3.3Å; M316-Q318 PolarHBondContact O-N 3.4Å; Q318-C321 PolarHBondContact O-N 2.97Å; Q318-L322 HydrophobicContact CG-CD1 3.95Å; Q318-L322 WeakPolarHBondContact O-CB 3.4Å; Q318-L322 WeakPolarHBondContact O-CG 3.37Å; Q318-L322 PolarHBondContact O-N 3.31Å |
| 319 | Y | 80.6 | Confident | 79.5 | Confident | 17 Ų | 17 | 29.4 Ų | 29.4 | 7% | 0.067 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.3 | -46.7 | 173.3 | -179 | -97.8 | 0 | 0 | 0 | 111.6 | L254 K258 F259 L262 S315 M316 F317 C321 L322 Q323 T325 | L254-Y319 HydrophobicContact CD2-CD1 3.98Å; L254-Y319 HydrophobicContact CD2-CE1 3.84Å; K258-Y319 HydrophobicContact CB-CD2 4.32Å; K258-Y319 HydrophobicContact CB-CE2 3.89Å; K258-Y319 HydrophobicContact CD-CE2 4Å; K258-Y319 WeakPolarHBondContact CD-OH 3.35Å; F259-Y319 HydrophobicContact CD1-CG 4.27Å; F259-Y319 HydrophobicContact CE1-CD1 4.09Å; F259-Y319 HydrophobicContact CE1-CG 4.27Å; L262-Y319 HydrophobicContact CD1-CD2 4.09Å; S315-Y319 WeakPolarHBondContact O-CB 3.48Å; S315-Y319 PolarHBondContact O-N 2.97Å; M316-Y319 WeakPolarHBondContact O-CB 3.41Å; M316-Y319 PolarHBondContact O-N 3.12Å; F317-Y319 VanDerWaalsContact C-N 3.34Å; Y319-C321 VanDerWaalsContact C-N 3.33Å; Y319-C321 PolarHBondContact O-N 3.23Å; Y319-L322 PolarHBondContact O-N 2.91Å; Y319-Q323 HydrophobicContact CD2-CG 4.02Å; Y319-Q323 HydrophobicContact CE2-CG 3.7Å; Y319-Q323 VanDerWaalsContact CZ-CD 3.4Å; Y319-Q323 WeakPolarHBondContact O-CB 3.37Å; Y319-Q323 PolarHBondContact O-N 3.31Å; Y319-Q323 VanDerWaalsContact OH-CD 3.29Å; Y319-Q323 PolarHBondContact OH-OE1 3.3Å; Y319-T325 HydrophobicContact CE1-CG2 4.5Å |
| 320 | M | 81.1 | Confident | 79.4 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.7 | -40.8 | 176.1 | -69.5 | -170.2 | -66.7 | 0 | 0 | 112.3 | I225 L252 L254 M316 F317 N324 V326 | I225-M320 HydrophobicContact CD1-CB 3.79Å; I225-M320 HydrophobicContact CD1-SD 4.15Å; L252-M320 HydrophobicContact CD1-SD 3.68Å; L254-M320 HydrophobicContact CD1-CG 3.65Å; L254-M320 HydrophobicContact CD1-SD 3.67Å; L254-M320 HydrophobicContact CD2-CG 4.39Å; M316-M320 HydrophobicContact CE-CE 3.42Å; M316-M320 VanDerWaalsContact CE-CE 3.42Å; M316-M320 HydrophobicContact CE-SD 3.83Å; M316-M320 HydrophobicContact CG-CE 4.28Å; M316-M320 WeakPolarHBondContact O-CG 3.09Å; M316-M320 PolarHBondContact O-N 3.03Å; F317-M320 HydrophobicContact CB-CE 4.18Å; F317-M320 HydrophobicContact CD1-CE 3.41Å; F317-M320 VanDerWaalsContact CD1-CE 3.41Å; F317-M320 HydrophobicContact CD2-CE 3.67Å; F317-M320 HydrophobicContact CE1-CE 3.57Å; F317-M320 HydrophobicContact CE2-CE 3.8Å; F317-M320 HydrophobicContact CG-CE 3.49Å; F317-M320 VanDerWaalsContact CG-CE 3.49Å; F317-M320 HydrophobicContact CZ-CE 3.76Å; F317-M320 PolarHBondContact O-N 3.36Å; M320-N324 WeakPolarHBondContact O-CA 3.45Å; M320-N324 PolarHBondContact O-N 2.86Å; M320-N324 VanDerWaalsContact O-N 3.08Å; M320-V326 HydrophobicContact CG-CG2 4.2Å; M320-V326 HydrophobicContact SD-CB 4.25Å; M320-V326 HydrophobicContact SD-CG2 4.06Å |
| 321 | C | 79.9 | Confident | 79.3 | Confident | 19 Ų | 19 | 31.5 Ų | 31.5 | 13% | 0.128 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -70.1 | -38.4 | 179.1 | -68.5 | 0 | 0 | 0 | 0 | 112.9 | T226 F317 Q318 Y319 | T226-C321 HydrophobicContact CG2-CB 4.03Å; F317-C321 WeakPolarHBondContact O-CB 2.94Å; F317-C321 PolarHBondContact O-N 3.46Å; F317-C321 PolarHBondContact O-SG 3.46Å; Q318-C321 PolarHBondContact O-N 2.97Å; Y319-C321 VanDerWaalsContact C-N 3.33Å; Y319-C321 PolarHBondContact O-N 3.23Å |
| 322 | L | 77 | Confident | 79 | Confident | 92 Ų | 92 | 29.4 Ų | 29.4 | 48% | 0.482 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -76.7 | -45.3 | -178.1 | -82.9 | 161.5 | 0 | 0 | 0 | 112.6 | L262 I266 Q318 Y319 N324 | L262-L322 HydrophobicContact CD2-CD1 3.63Å; I266-L322 HydrophobicContact CD1-CD1 4.43Å; I266-L322 HydrophobicContact CG2-CD1 3.9Å; Q318-L322 HydrophobicContact CG-CD1 3.95Å; Q318-L322 WeakPolarHBondContact O-CB 3.4Å; Q318-L322 WeakPolarHBondContact O-CG 3.37Å; Q318-L322 PolarHBondContact O-N 3.31Å; Y319-L322 PolarHBondContact O-N 2.91Å; L322-N324 VanDerWaalsContact C-N 3.32Å |
| 323 | Q | 72.8 | Confident | 78.8 | Confident | 114 Ų | 114 | 32.6 Ų | 32.6 | 53% | 0.533 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -85.8 | -10 | -176.9 | -60.5 | -140.5 | -4.2 | 0 | 0 | 112.8 | Y319 T325 | Y319-Q323 HydrophobicContact CD2-CG 4.02Å; Y319-Q323 HydrophobicContact CE2-CG 3.7Å; Y319-Q323 VanDerWaalsContact CZ-CD 3.4Å; Y319-Q323 WeakPolarHBondContact O-CB 3.37Å; Y319-Q323 PolarHBondContact O-N 3.31Å; Y319-Q323 VanDerWaalsContact OH-CD 3.29Å; Y319-Q323 PolarHBondContact OH-OE1 3.3Å; Q323-T325 HydrophobicContact CB-CG2 3.58Å; Q323-T325 PolarHBondContact O-N 2.85Å; Q323-T325 VanDerWaalsContact O-N 3.13Å |
| 324 | N | 71.7 | Confident | 78.6 | Confident | 79 Ų | 79 | 33 Ų | 33 | 42% | 0.422 | 18% | 0.177 | S | C | . | . | trans | 48.8 | 37.6 | -176.2 | -161.7 | 43.7 | 0 | 0 | 0 | 112.3 | P224 M320 L322 V326 | P224-N324 WeakPolarHBondContact CA-OD1 3.48Å; P224-N324 WeakPolarHBondContact CB-OD1 3.48Å; M320-N324 WeakPolarHBondContact O-CA 3.45Å; M320-N324 PolarHBondContact O-N 2.86Å; M320-N324 VanDerWaalsContact O-N 3.08Å; L322-N324 VanDerWaalsContact C-N 3.32Å; N324-V326 VanDerWaalsContact C-N 3.3Å | ||
| 325 | T | 68.3 | Low | 78.2 | Confident | 61 Ų | 61 | 33 Ų | 33 | 37% | 0.374 | 18% | 0.177 | S | C | . | . | trans | -76.1 | -21.8 | -175.4 | 45 | 0 | 0 | 0 | 0 | 112.5 | Y319 Q323 | Y319-T325 HydrophobicContact CE1-CG2 4.5Å; Q323-T325 HydrophobicContact CB-CG2 3.58Å; Q323-T325 PolarHBondContact O-N 2.85Å; Q323-T325 VanDerWaalsContact O-N 3.13Å | ||
| 326 | V | 73.1 | Confident | 77.9 | Confident | 5 Ų | 5 | 38.4 Ų | 38.4 | 3% | 0.03 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -128.4 | 122.2 | -173.9 | -177.6 | 0 | 0 | 0 | 0 | 108.7 | I225 L252 L254 M320 N324 Q330 L331 | I225-V326 HydrophobicContact CD1-CB 3.9Å; I225-V326 HydrophobicContact CD1-CG1 4.14Å; I225-V326 WeakPolarHBondContact CD1-O 3.46Å; I225-V326 WeakPolarHBondContact CG1-O 3.36Å; L252-V326 HydrophobicContact CB-CG2 4.37Å; L252-V326 HydrophobicContact CD1-CG1 4.22Å; L252-V326 HydrophobicContact CD1-CG2 4.3Å; L252-V326 HydrophobicContact CD2-CG1 3.73Å; L252-V326 HydrophobicContact CD2-CG2 4.19Å; L254-V326 HydrophobicContact CD2-CG2 4.5Å; M320-V326 HydrophobicContact CG-CG2 4.2Å; M320-V326 HydrophobicContact SD-CB 4.25Å; M320-V326 HydrophobicContact SD-CG2 4.06Å; N324-V326 VanDerWaalsContact C-N 3.3Å; V326-Q330 HydrophobicContact CG1-CB 3.73Å; V326-L331 HydrophobicContact CG1-CB 4.19Å |
| 327 | N | 79.1 | Confident | 77.4 | Confident | 52 Ų | 52 | 45.2 Ų | 45.2 | 28% | 0.278 | 23% | 0.23 | S | C | . | . | B | Isolated β-bridge | trans | -78.3 | 155.3 | 174.3 | -66.1 | -13.8 | 0 | 0 | 0 | 110.2 | G329 Q330 L331 | N327-G329 PolarHBondContact O-N 3.47Å; N327-G329 VanDerWaalsContact O-N 3.12Å; N327-Q330 WeakPolarHBondContact O-CA 3.41Å; N327-Q330 WeakPolarHBondContact O-CB 3.35Å; N327-Q330 PolarHBondContact O-N 2.83Å; N327-L331 PolarHBondContact O-N 3.4Å |
| 328 | L | 76.6 | Confident | 77 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -54.5 | -35.1 | -179.6 | -171.3 | 57 | 0 | 0 | 0 | 113.2 | F221 Q223 I228 L331 M332 I347 I351 | F221-L328 PolarHBondContact O-N 3.37Å; Q223-L328 HydrophobicContact CB-CD2 4.17Å; Q223-L328 WeakPolarHBondContact O-CB 3.49Å; Q223-L328 PolarHBondContact O-N 3.44Å; I228-L328 HydrophobicContact CD1-CD1 3.75Å; I228-L328 HydrophobicContact CG1-CD1 4.04Å; L328-L331 PolarHBondContact O-N 2.82Å; L328-M332 WeakPolarHBondContact O-CB 3.44Å; L328-M332 WeakPolarHBondContact O-CG 3.37Å; L328-M332 PolarHBondContact O-N 3.32Å; L328-I347 HydrophobicContact CD1-CG2 3.96Å; L328-I351 HydrophobicContact CD1-CD1 4.01Å; L328-I351 HydrophobicContact CD2-CD1 3.28Å; L328-I351 HydrophobicContact CD2-CG1 3.87Å; L328-I351 HydrophobicContact CG-CD1 3.78Å |
| 329 | G | 72.2 | Confident | 76.4 | Confident | 17 Ų | 17 | 52 Ų | 52 | 18% | 0.175 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.5 | -38.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114 | F221 N327 N333 | F221-G329 PolarHBondContact O-N 3.14Å; N327-G329 PolarHBondContact O-N 3.47Å; N327-G329 VanDerWaalsContact O-N 3.12Å; G329-N333 VanDerWaalsContact O-CB 3.3Å; G329-N333 WeakPolarHBondContact O-CB 3.47Å; G329-N333 PolarHBondContact O-N 2.9Å |
| 330 | Q | 78.8 | Confident | 75.7 | Confident | 97 Ų | 97 | 52.7 Ų | 52.7 | 45% | 0.453 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -67.9 | -43.2 | 175.1 | -70.2 | 172.3 | -45.4 | 0 | 0 | 110.6 | V326 N327 M332 N333 S334 | V326-Q330 HydrophobicContact CG1-CB 3.73Å; N327-Q330 WeakPolarHBondContact O-CA 3.41Å; N327-Q330 WeakPolarHBondContact O-CB 3.35Å; N327-Q330 PolarHBondContact O-N 2.83Å; Q330-M332 PolarHBondContact O-N 2.94Å; Q330-N333 PolarHBondContact O-N 3.45Å; Q330-S334 WeakPolarHBondContact O-CB 3.35Å; Q330-S334 PolarHBondContact O-N 2.92Å; Q330-S334 PolarHBondContact O-OG 3.4Å; Q330-S334 VanDerWaalsContact O-OG 3.08Å |
| 331 | L | 82.2 | Confident | 75.1 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.4 | -47.4 | 174.8 | 178.4 | 64 | 0 | 0 | 0 | 111.4 | I225 I228 L248 F317 V326 N327 L328 N333 S334 L335 I347 | I225-L331 HydrophobicContact CD1-CB 4.47Å; I225-L331 HydrophobicContact CD1-CD2 4.18Å; I225-L331 HydrophobicContact CG1-CD2 4.08Å; I225-L331 HydrophobicContact CG2-CD2 4.23Å; I228-L331 HydrophobicContact CD1-CD2 4.28Å; L248-L331 HydrophobicContact CD2-CD1 4.2Å; F317-L331 HydrophobicContact CE1-CD1 4.19Å; F317-L331 HydrophobicContact CE1-CD2 3.89Å; F317-L331 HydrophobicContact CZ-CD1 3.98Å; F317-L331 HydrophobicContact CZ-CD2 4.37Å; V326-L331 HydrophobicContact CG1-CB 4.19Å; N327-L331 PolarHBondContact O-N 3.4Å; L328-L331 PolarHBondContact O-N 2.82Å; L331-N333 PolarHBondContact O-N 2.98Å; L331-S334 PolarHBondContact O-N 3.38Å; L331-L335 HydrophobicContact CD1-CD1 4.06Å; L331-L335 HydrophobicContact CD1-CG 4.17Å; L331-L335 HydrophobicContact CG-CD1 3.9Å; L331-L335 HydrophobicContact CG-CG 4.41Å; L331-L335 WeakPolarHBondContact O-CB 3.38Å; L331-L335 VanDerWaalsContact O-CG 3.27Å; L331-L335 WeakPolarHBondContact O-CG 3.49Å; L331-L335 PolarHBondContact O-N 3.09Å; L331-I347 HydrophobicContact CD2-CD1 4.49Å |
| 332 | M | 76.7 | Confident | 74.6 | Confident | 7 Ų | 7 | 59.3 Ų | 59.3 | 3% | 0.034 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.6 | -43.2 | 179.2 | -77.4 | -74 | -78.5 | 0 | 0 | 112.4 | L328 Q330 L335 Q336 V344 I347 Q348 | L328-M332 WeakPolarHBondContact O-CB 3.44Å; L328-M332 WeakPolarHBondContact O-CG 3.37Å; L328-M332 PolarHBondContact O-N 3.32Å; Q330-M332 PolarHBondContact O-N 2.94Å; M332-L335 PolarHBondContact O-N 3.46Å; M332-Q336 WeakPolarHBondContact O-CB 3.25Å; M332-Q336 PolarHBondContact O-N 3.25Å; M332-V344 HydrophobicContact CE-CB 4.24Å; M332-V344 HydrophobicContact CE-CG1 3.32Å; M332-V344 WeakPolarHBondContact CE-O 3.39Å; M332-V344 HydrophobicContact SD-CB 4.29Å; M332-V344 HydrophobicContact SD-CG1 3.93Å; M332-V344 HydrophobicContact SD-CG2 4.5Å; M332-I347 HydrophobicContact CE-CG2 4.38Å; M332-I347 HydrophobicContact CG-CG2 4.07Å; M332-I347 HydrophobicContact SD-CB 3.58Å; M332-I347 VanDerWaalsContact SD-CB 3.58Å; M332-I347 HydrophobicContact SD-CD1 4Å; M332-I347 HydrophobicContact SD-CG1 4.41Å; M332-I347 HydrophobicContact SD-CG2 3.39Å; M332-I347 WeakPolarHBondContact SD-CG2 3.34Å; M332-Q348 HydrophobicContact CE-CB 4.17Å; M332-Q348 HydrophobicContact CE-CG 3.57Å |
| 333 | N | 77.2 | Confident | 74.5 | Confident | 91 Ų | 91 | 55.1 Ų | 55.1 | 49% | 0.487 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -66.9 | -40.5 | 179.1 | -157.8 | 2.6 | 0 | 0 | 0 | 111.3 | G329 Q330 L331 Q336 K337 | G329-N333 VanDerWaalsContact O-CB 3.3Å; G329-N333 WeakPolarHBondContact O-CB 3.47Å; G329-N333 PolarHBondContact O-N 2.9Å; Q330-N333 PolarHBondContact O-N 3.45Å; L331-N333 PolarHBondContact O-N 2.98Å; N333-Q336 PolarHBondContact O-N 2.9Å; N333-K337 WeakPolarHBondContact O-CG 3.25Å; N333-K337 PolarHBondContact O-N 3.27Å |
| 334 | S | 79.7 | Confident | 74.4 | Confident | 11 Ų | 11 | 50.1 Ų | 50.1 | 8% | 0.077 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.4 | -40.7 | 175.5 | -61.1 | 0 | 0 | 0 | 0 | 112.3 | L252 Q330 L331 Q336 K337 L338 | L252-S334 VanDerWaalsContact CD2-OG 3.29Å; L252-S334 WeakPolarHBondContact CD2-OG 3.46Å; Q330-S334 WeakPolarHBondContact O-CB 3.35Å; Q330-S334 PolarHBondContact O-N 2.92Å; Q330-S334 PolarHBondContact O-OG 3.4Å; Q330-S334 VanDerWaalsContact O-OG 3.08Å; L331-S334 PolarHBondContact O-N 3.38Å; S334-Q336 VanDerWaalsContact C-N 3.29Å; S334-Q336 PolarHBondContact O-N 2.95Å; S334-K337 PolarHBondContact O-N 3.22Å; S334-L338 WeakPolarHBondContact O-CB 3.48Å; S334-L338 PolarHBondContact O-N 3.18Å |
| 335 | L | 78.6 | Confident | 74.3 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.9 | -34.6 | 174.2 | -73.2 | 172.3 | 0 | 0 | 0 | 112.6 | L240 L248 L331 M332 L338 S340 L343 V344 I347 | L240-L335 HydrophobicContact CD1-CD2 3.92Å; L240-L335 HydrophobicContact CD2-CD2 4.04Å; L240-L335 HydrophobicContact CG-CD2 4.44Å; L248-L335 HydrophobicContact CD1-CD2 4.26Å; L248-L335 HydrophobicContact CD1-CG 4.47Å; L248-L335 HydrophobicContact CD2-CD2 4.15Å; L331-L335 HydrophobicContact CD1-CD1 4.06Å; L331-L335 HydrophobicContact CD1-CG 4.17Å; L331-L335 HydrophobicContact CG-CD1 3.9Å; L331-L335 HydrophobicContact CG-CG 4.41Å; L331-L335 WeakPolarHBondContact O-CB 3.38Å; L331-L335 VanDerWaalsContact O-CG 3.27Å; L331-L335 WeakPolarHBondContact O-CG 3.49Å; L331-L335 PolarHBondContact O-N 3.09Å; M332-L335 PolarHBondContact O-N 3.46Å; L335-L338 PolarHBondContact O-N 3.1Å; L335-S340 PolarHBondContact O-N 3.46Å; L335-L343 HydrophobicContact CD1-CB 4.44Å; L335-L343 HydrophobicContact CD2-CD1 4.13Å; L335-V344 HydrophobicContact CB-CG2 3.69Å; L335-I347 HydrophobicContact CD1-CD1 3.36Å |
| 336 | Q | 76.1 | Confident | 74.4 | Confident | 124 Ų | 124 | 45.9 Ų | 45.9 | 58% | 0.579 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -69.3 | -39.2 | 175.5 | -165 | 163.6 | 5.8 | 0 | 0 | 111.6 | M332 N333 S334 L338 N339 V344 | M332-Q336 WeakPolarHBondContact O-CB 3.25Å; M332-Q336 PolarHBondContact O-N 3.25Å; N333-Q336 PolarHBondContact O-N 2.9Å; S334-Q336 VanDerWaalsContact C-N 3.29Å; S334-Q336 PolarHBondContact O-N 2.95Å; Q336-L338 VanDerWaalsContact C-N 3.3Å; Q336-L338 PolarHBondContact O-N 3.29Å; Q336-N339 PolarHBondContact O-N 2.73Å; Q336-V344 HydrophobicContact CB-CG2 4.11Å |
| 337 | K | 76.7 | Confident | 74.4 | Confident | 143 Ų | 143 | 45.7 Ų | 45.7 | 62% | 0.622 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -65.6 | -31.4 | 172.7 | -73.7 | 178.7 | -179.3 | -178.5 | 0 | 113.3 | M251 N333 S334 N339 | M251-K337 HydrophobicContact CE-CB 3.97Å; M251-K337 HydrophobicContact SD-CB 3.76Å; M251-K337 HydrophobicContact SD-CD 4.29Å; N333-K337 WeakPolarHBondContact O-CG 3.25Å; N333-K337 PolarHBondContact O-N 3.27Å; S334-K337 PolarHBondContact O-N 3.22Å; K337-N339 PolarHBondContact O-N 3.36Å |
| 338 | L | 75.4 | Confident | 74 | Confident | 21 Ų | 21 | 48.3 Ų | 48.3 | 11% | 0.11 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | 7.5 | 174.1 | -101.1 | 141.4 | 0 | 0 | 0 | 114.3 | E247 L248 M251 S334 L335 Q336 S340 | E247-L338 HydrophobicContact CB-CD2 3.85Å; E247-L338 WeakPolarHBondContact OE2-CD2 3.44Å; L248-L338 HydrophobicContact CB-CD1 3.54Å; L248-L338 HydrophobicContact CD1-CD1 3.45Å; L248-L338 VanDerWaalsContact CD1-CD1 3.45Å; L248-L338 HydrophobicContact CG-CD1 4.05Å; M251-L338 HydrophobicContact CE-CG 4.36Å; M251-L338 HydrophobicContact SD-CD1 4.28Å; M251-L338 HydrophobicContact SD-CG 4.48Å; S334-L338 WeakPolarHBondContact O-CB 3.48Å; S334-L338 PolarHBondContact O-N 3.18Å; L335-L338 PolarHBondContact O-N 3.1Å; Q336-L338 VanDerWaalsContact C-N 3.3Å; Q336-L338 PolarHBondContact O-N 3.29Å; L338-S340 PolarHBondContact O-N 3.41Å; L338-S340 VanDerWaalsContact O-N 3.17Å; L338-S340 PolarHBondContact O-OG 3.05Å |
| 339 | N | 69.5 | Low | 73.6 | Confident | 143 Ų | 143 | 51.8 Ų | 51.8 | 77% | 0.765 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 35 | -179.3 | -147.1 | 28.2 | 0 | 0 | 0 | 112.7 | Q336 K337 P341 | Q336-N339 PolarHBondContact O-N 2.73Å; K337-N339 PolarHBondContact O-N 3.36Å; N339-P341 WeakPolarHBondContact O-CD 3.28Å |
| 340 | S | 67.3 | Low | 73.4 | Confident | 31 Ų | 31 | 54.1 Ų | 54.1 | 22% | 0.217 | 28% | 0.281 | C | S | . | . | trans | -109.3 | 62.7 | 177 | -67.5 | 0 | 0 | 0 | 0 | 111 | L335 L338 D342 L343 V344 | L335-S340 PolarHBondContact O-N 3.46Å; L338-S340 PolarHBondContact O-N 3.41Å; L338-S340 VanDerWaalsContact O-N 3.17Å; L338-S340 PolarHBondContact O-OG 3.05Å; S340-D342 PolarHBondContact O-N 3.34Å; S340-L343 PolarHBondContact O-N 3.44Å; S340-L343 VanDerWaalsContact O-N 3.1Å; S340-V344 PolarHBondContact O-N 2.94Å | ||
| 341 | P | 68.2 | Low | 72.7 | Confident | 78 Ų | 78 | 50.5 Ų | 50.5 | 51% | 0.506 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.5 | -29.5 | -176.8 | 28.3 | -35.6 | 0 | 0 | 0 | 111.8 | N339 L343 V344 A345 | N339-P341 WeakPolarHBondContact O-CD 3.28Å; P341-L343 VanDerWaalsContact C-N 3.3Å; P341-L343 PolarHBondContact O-N 3.26Å; P341-V344 PolarHBondContact O-N 3.48Å; P341-A345 WeakPolarHBondContact O-CB 3.28Å; P341-A345 PolarHBondContact O-N 2.98Å |
| 342 | D | 69.7 | Low | 71.2 | Confident | 80 Ų | 80 | 52.8 Ų | 52.8 | 43% | 0.428 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59.9 | -38.8 | 176.6 | -64.2 | -6.8 | 0 | 0 | 0 | 112.5 | R239 S340 L346 | R239-D342 IonicContact CZ-OD2 2.73Å; R239-D342 IonicContact NH2-OD2 3.63Å; R239-D342 PolarHBondContact NH2-OD2 2.91Å; S340-D342 PolarHBondContact O-N 3.34Å; D342-L346 WeakPolarHBondContact O-CB 3.37Å; D342-L346 PolarHBondContact O-N 3.46Å |
| 343 | L | 73.7 | Confident | 69.7 | Low | 4 Ų | 4 | 56.2 Ų | 56.2 | 2% | 0.021 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -74.7 | -39.9 | 179.1 | -66.8 | 178.5 | 0 | 0 | 0 | 111 | I236 R239 L240 L335 S340 P341 A345 L346 I347 | I236-L343 HydrophobicContact CG1-CD2 4.16Å; R239-L343 HydrophobicContact CB-CD1 4.24Å; R239-L343 HydrophobicContact CB-CD2 3.83Å; R239-L343 HydrophobicContact CG-CD2 4.13Å; L240-L343 HydrophobicContact CD1-CD1 4.23Å; L240-L343 HydrophobicContact CD2-CD1 4.41Å; L240-L343 HydrophobicContact CG-CD1 3.93Å; L335-L343 HydrophobicContact CD1-CB 4.44Å; L335-L343 HydrophobicContact CD2-CD1 4.13Å; S340-L343 PolarHBondContact O-N 3.44Å; S340-L343 VanDerWaalsContact O-N 3.1Å; P341-L343 VanDerWaalsContact C-N 3.3Å; P341-L343 PolarHBondContact O-N 3.26Å; L343-A345 VanDerWaalsContact C-N 3.32Å; L343-A345 PolarHBondContact O-N 3.06Å; L343-L346 HydrophobicContact CD2-CD1 4.34Å; L343-L346 WeakPolarHBondContact O-CB 3.5Å; L343-L346 PolarHBondContact O-N 2.88Å; L343-I347 VanDerWaalsContact O-CG1 3.26Å; L343-I347 WeakPolarHBondContact O-CG1 3.41Å; L343-I347 PolarHBondContact O-N 3.33Å |
| 344 | V | 70.7 | Confident | 67.9 | Low | 8 Ų | 8 | 56.7 Ų | 56.7 | 5% | 0.048 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.9 | -45.8 | 174 | 177.4 | 0 | 0 | 0 | 0 | 109.8 | M332 L335 Q336 S340 P341 I347 Q348 | M332-V344 HydrophobicContact CE-CB 4.24Å; M332-V344 HydrophobicContact CE-CG1 3.32Å; M332-V344 WeakPolarHBondContact CE-O 3.39Å; M332-V344 HydrophobicContact SD-CB 4.29Å; M332-V344 HydrophobicContact SD-CG1 3.93Å; M332-V344 HydrophobicContact SD-CG2 4.5Å; L335-V344 HydrophobicContact CB-CG2 3.69Å; Q336-V344 HydrophobicContact CB-CG2 4.11Å; S340-V344 PolarHBondContact O-N 2.94Å; P341-V344 PolarHBondContact O-N 3.48Å; V344-I347 PolarHBondContact O-N 3.3Å; V344-Q348 WeakPolarHBondContact O-CB 3.27Å; V344-Q348 PolarHBondContact O-N 3.03Å |
| 345 | A | 70.7 | Confident | 65.8 | Low | 46 Ų | 46 | 60.9 Ų | 60.9 | 38% | 0.38 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62.7 | -43.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | P341 L343 I347 Q348 Q349 | P341-A345 WeakPolarHBondContact O-CB 3.28Å; P341-A345 PolarHBondContact O-N 2.98Å; L343-A345 VanDerWaalsContact C-N 3.32Å; L343-A345 PolarHBondContact O-N 3.06Å; A345-I347 VanDerWaalsContact C-N 3.32Å; A345-I347 PolarHBondContact O-N 2.92Å; A345-Q348 PolarHBondContact O-N 3.37Å; A345-Q349 WeakPolarHBondContact O-CB 3.25Å; A345-Q349 PolarHBondContact O-N 3Å |
| 346 | L | 70.7 | Confident | 63.7 | Low | 6 Ų | 6 | 63.7 Ų | 63.7 | 3% | 0.031 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -55.7 | -46.9 | 174.3 | -103.5 | 161.2 | 0 | 0 | 0 | 112.3 | L46 V235 D342 L343 Q350 | L46-L346 HydrophobicContact CB-CD1 4.25Å; L46-L346 HydrophobicContact CD1-CD1 4.16Å; L46-L346 HydrophobicContact CD1-CD2 3.62Å; L46-L346 HydrophobicContact CD1-CG 3.71Å; V235-L346 HydrophobicContact CG1-CD1 4.31Å; D342-L346 WeakPolarHBondContact O-CB 3.37Å; D342-L346 PolarHBondContact O-N 3.46Å; L343-L346 HydrophobicContact CD2-CD1 4.34Å; L343-L346 WeakPolarHBondContact O-CB 3.5Å; L343-L346 PolarHBondContact O-N 2.88Å; L346-Q350 WeakPolarHBondContact O-CG 3.33Å; L346-Q350 PolarHBondContact O-N 3.29Å |
| 347 | I | 72.8 | Confident | 61.9 | Low | 1 Ų | 1 | 66.2 Ų | 66.2 | 1% | 0.005 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -69 | -48.2 | -179.7 | -67.5 | 168.2 | 0 | 0 | 0 | 110 | I228 I236 L328 L331 M332 L335 L343 V344 A345 Q349 Q350 I351 | I228-I347 HydrophobicContact CD1-CD1 4.42Å; I228-I347 HydrophobicContact CD1-CG1 4.27Å; I228-I347 HydrophobicContact CD1-CG2 4.26Å; I236-I347 HydrophobicContact CD1-CD1 3.77Å; I236-I347 HydrophobicContact CD1-CG1 3.47Å; I236-I347 VanDerWaalsContact CD1-CG1 3.47Å; I236-I347 HydrophobicContact CG1-CG1 4.4Å; L328-I347 HydrophobicContact CD1-CG2 3.96Å; L331-I347 HydrophobicContact CD2-CD1 4.49Å; M332-I347 HydrophobicContact CE-CG2 4.38Å; M332-I347 HydrophobicContact CG-CG2 4.07Å; M332-I347 HydrophobicContact SD-CB 3.58Å; M332-I347 VanDerWaalsContact SD-CB 3.58Å; M332-I347 HydrophobicContact SD-CD1 4Å; M332-I347 HydrophobicContact SD-CG1 4.41Å; M332-I347 HydrophobicContact SD-CG2 3.39Å; M332-I347 WeakPolarHBondContact SD-CG2 3.34Å; L335-I347 HydrophobicContact CD1-CD1 3.36Å; L343-I347 VanDerWaalsContact O-CG1 3.26Å; L343-I347 WeakPolarHBondContact O-CG1 3.41Å; L343-I347 PolarHBondContact O-N 3.33Å; V344-I347 PolarHBondContact O-N 3.3Å; A345-I347 VanDerWaalsContact C-N 3.32Å; A345-I347 PolarHBondContact O-N 2.92Å; I347-Q349 VanDerWaalsContact C-N 3.29Å; I347-Q349 PolarHBondContact O-N 3.48Å; I347-Q350 PolarHBondContact O-N 3.02Å; I347-I351 HydrophobicContact CG2-CD1 3.31Å; I347-I351 HydrophobicContact CG2-CG1 4.25Å; I347-I351 WeakPolarHBondContact O-CD1 3.44Å; I347-I351 WeakPolarHBondContact O-CG1 3.45Å; I347-I351 PolarHBondContact O-N 2.97Å |
| 348 | Q | 70.4 | Confident | 59.8 | Low | 106 Ų | 106 | 67.2 Ų | 67.2 | 50% | 0.495 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -58.9 | -39.2 | 177.7 | -111.4 | 164.8 | 16.1 | 0 | 0 | 112.6 | M332 V344 A345 Q350 G352 | M332-Q348 HydrophobicContact CE-CB 4.17Å; M332-Q348 HydrophobicContact CE-CG 3.57Å; V344-Q348 WeakPolarHBondContact O-CB 3.27Å; V344-Q348 PolarHBondContact O-N 3.03Å; A345-Q348 PolarHBondContact O-N 3.37Å; Q348-Q350 VanDerWaalsContact C-N 3.35Å; Q348-G352 WeakPolarHBondContact O-CA 3.35Å; Q348-G352 PolarHBondContact O-N 3.13Å |
| 349 | Q | 68.8 | Low | 57.7 | Low | 73 Ų | 73 | 70.3 Ų | 70.3 | 34% | 0.341 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -68.8 | -36 | -179.7 | -171.3 | 164.6 | 17.7 | 0 | 0 | 111.9 | L41 A345 I347 I353 | L41-Q349 VanDerWaalsContact CD2-CD 3.44Å; A345-Q349 WeakPolarHBondContact O-CB 3.25Å; A345-Q349 PolarHBondContact O-N 3Å; I347-Q349 VanDerWaalsContact C-N 3.29Å; I347-Q349 PolarHBondContact O-N 3.48Å; Q349-I353 VanDerWaalsContact O-CD1 3.29Å; Q349-I353 WeakPolarHBondContact O-CD1 3.27Å; Q349-I353 VanDerWaalsContact O-CG1 3.24Å; Q349-I353 WeakPolarHBondContact O-CG1 3.49Å; Q349-I353 PolarHBondContact O-N 3.32Å |
| 350 | Q | 67 | Low | 56.1 | Low | 66 Ų | 66 | 68.4 Ų | 68.4 | 31% | 0.308 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -76.5 | -37.6 | 177.6 | -68.7 | -67.9 | -3.9 | 0 | 0 | 112.5 | I232 L346 I347 Q348 | I232-Q350 HydrophobicContact CD1-CG 4.19Å; I232-Q350 HydrophobicContact CG1-CG 3.99Å; I232-Q350 HydrophobicContact CG2-CG 4.29Å; L346-Q350 WeakPolarHBondContact O-CG 3.33Å; L346-Q350 PolarHBondContact O-N 3.29Å; I347-Q350 PolarHBondContact O-N 3.02Å; Q348-Q350 VanDerWaalsContact C-N 3.35Å |
| 351 | I | 64.3 | Low | 54.4 | Low | 22 Ų | 22 | 73 Ų | 73 | 11% | 0.113 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -71.7 | -36.7 | 174.7 | -58.3 | 157.3 | 0 | 0 | 0 | 110.8 | N220 L328 I347 I353 I354 | N220-I351 HydrophobicContact CB-CG2 4.43Å; L328-I351 HydrophobicContact CD1-CD1 4.01Å; L328-I351 HydrophobicContact CD2-CD1 3.28Å; L328-I351 HydrophobicContact CD2-CG1 3.87Å; L328-I351 HydrophobicContact CG-CD1 3.78Å; I347-I351 HydrophobicContact CG2-CD1 3.31Å; I347-I351 HydrophobicContact CG2-CG1 4.25Å; I347-I351 WeakPolarHBondContact O-CD1 3.44Å; I347-I351 WeakPolarHBondContact O-CG1 3.45Å; I347-I351 PolarHBondContact O-N 2.97Å; I351-I353 PolarHBondContact O-N 3.32Å; I351-I354 PolarHBondContact O-N 3.44Å; I351-I354 VanDerWaalsContact O-N 3.14Å |
| 352 | G | 50.8 | Low | 52.7 | Low | 47 Ų | 47 | 76 Ų | 76 | 49% | 0.485 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.8 | -20.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q348 | Q348-G352 WeakPolarHBondContact O-CA 3.35Å; Q348-G352 PolarHBondContact O-N 3.13Å |
| 353 | I | 45.5 | Very low | 50.8 | Low | 80 Ų | 80 | 74.4 Ų | 74.4 | 41% | 0.41 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -11.1 | 178.2 | -67.8 | 167.4 | 0 | 0 | 0 | 112.8 | Q349 I351 K355 S356 | Q349-I353 VanDerWaalsContact O-CD1 3.29Å; Q349-I353 WeakPolarHBondContact O-CD1 3.27Å; Q349-I353 VanDerWaalsContact O-CG1 3.24Å; Q349-I353 WeakPolarHBondContact O-CG1 3.49Å; Q349-I353 PolarHBondContact O-N 3.32Å; I351-I353 PolarHBondContact O-N 3.32Å; I353-K355 PolarHBondContact O-N 3.23Å; I353-S356 PolarHBondContact O-N 3.32Å; I353-S356 PolarHBondContact O-OG 3.14Å; I353-S356 VanDerWaalsContact O-OG 3.14Å |
| 354 | I | 38.8 | Very low | 48.9 | Very low | 101 Ų | 101 | 79.6 Ų | 79.6 | 52% | 0.518 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -72 | -19 | 173 | -59.3 | 179 | 0 | 0 | 0 | 111.5 | V227 I351 | V227-I354 HydrophobicContact CG1-CD1 3.96Å; I351-I354 PolarHBondContact O-N 3.44Å; I351-I354 VanDerWaalsContact O-N 3.14Å |
| 355 | K | 36.4 | Very low | 47.3 | Very low | 98 Ų | 98 | 86.6 Ų | 86.6 | 43% | 0.426 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -81.7 | -15.4 | 171.2 | -73 | -171.9 | 179.4 | -179.5 | 0 | 114.3 | S216 I353 T359 | S216-K355 PolarHBondContact O-NZ 3.47Å; S216-K355 PolarHBondContact OG-NZ 3.38Å; I353-K355 PolarHBondContact O-N 3.23Å; K355-T359 PolarHBondContact O-OG1 3.47Å |
| 356 | S | 35.1 | Very low | 45.5 | Very low | 59 Ų | 59 | 90.7 Ų | 90.7 | 41% | 0.413 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -93.9 | -15 | 177.8 | 63.6 | 0 | 0 | 0 | 0 | 114.2 | I353 I360 | I353-S356 PolarHBondContact O-N 3.32Å; I353-S356 PolarHBondContact O-OG 3.14Å; I353-S356 VanDerWaalsContact O-OG 3.14Å; S356-I360 WeakPolarHBondContact O-CD1 3.33Å |
| 357 | K | 36.8 | Very low | 43.6 | Very low | 178 Ų | 178 | 98.7 Ų | 98.7 | 77% | 0.774 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -90.7 | -18.1 | 175.8 | -104.2 | 176.7 | 178.5 | 173.3 | 0 | 115.5 | ||
| 358 | K | 33.5 | Very low | 41.8 | Very low | 164 Ų | 164 | 106.4 Ų | 106.4 | 71% | 0.713 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -92.6 | -18.3 | 176.1 | -158.8 | 167.5 | -178.8 | 177.9 | 0 | 113.5 | ||
| 359 | T | 30.5 | Very low | 40.3 | Very low | 86 Ų | 86 | 105.9 Ų | 105.9 | 53% | 0.528 | 53% | 0.531 | S | S | . | . | S | Bend | trans | -98.8 | -3.1 | -173.5 | -28.6 | 0 | 0 | 0 | 0 | 114.1 | K355 S363 | K355-T359 PolarHBondContact O-OG1 3.47Å; T359-S363 PolarHBondContact O-OG 3.39Å |
| 360 | I | 35.5 | Very low | 38.7 | Very low | 102 Ų | 102 | 109.1 Ų | 109.1 | 52% | 0.523 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -88.3 | -21.4 | 172.7 | -64.6 | 173.7 | 0 | 0 | 0 | 111.8 | S356 | S356-I360 WeakPolarHBondContact O-CD1 3.33Å |
| 361 | N | 32.3 | Very low | 37.2 | Very low | 129 Ų | 129 | 110.7 Ų | 110.7 | 69% | 0.69 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -94.7 | -3.8 | 176.7 | -72.9 | -13.8 | 0 | 0 | 0 | 114.2 | ||
| 362 | Q | 32.2 | Very low | 35.9 | Very low | 141 Ų | 141 | 118.2 Ų | 118.2 | 66% | 0.659 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -105.4 | -24.6 | 171.4 | -93.9 | 175.6 | -20.5 | 0 | 0 | 113.1 | ||
| 363 | S | 31.2 | Very low | 35.2 | Very low | 46 Ų | 46 | 120 Ų | 120 | 32% | 0.322 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -74.8 | -27.1 | 172.3 | 59.4 | 0 | 0 | 0 | 0 | 112.8 | T359 E365 E366 Y367 | T359-S363 PolarHBondContact O-OG 3.39Å; S363-E365 VanDerWaalsContact C-N 3.35Å; S363-E365 PolarHBondContact O-N 2.78Å; S363-E366 PolarHBondContact O-N 3.25Å; S363-Y367 VanDerWaalsContact O-CD2 3.31Å; S363-Y367 WeakPolarHBondContact O-CD2 3.09Å |
| 364 | N | 32.7 | Very low | 34.8 | Very low | 112 Ų | 112 | 122.4 Ų | 122.4 | 60% | 0.599 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -79.5 | -9.4 | -179.7 | -84.2 | -9.2 | 0 | 0 | 0 | 115.4 | ||
| 365 | E | 36.7 | Very low | 34.7 | Very low | 156 Ų | 156 | 126.8 Ų | 126.8 | 73% | 0.729 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -88.9 | -27.2 | 170.4 | -82.5 | -97.1 | 135.1 | 0 | 0 | 112.1 | S363 | S363-E365 VanDerWaalsContact C-N 3.35Å; S363-E365 PolarHBondContact O-N 2.78Å |
| 366 | E | 32.8 | Very low | 34.8 | Very low | 131 Ų | 131 | 127 Ų | 127 | 61% | 0.612 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -86.6 | -16 | -176.9 | -144.3 | 176.4 | 176.9 | 0 | 0 | 114.1 | S363 T369 | S363-E366 PolarHBondContact O-N 3.25Å; E366-T369 PolarHBondContact O-OG1 2.94Å |
| 367 | Y | 31.4 | Very low | 34.9 | Very low | 174 Ų | 174 | 133.6 Ų | 133.6 | 68% | 0.682 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -87.5 | -8.6 | 172.4 | -80.2 | -82.5 | 0 | 0 | 0 | 114.4 | S363 T371 | S363-Y367 VanDerWaalsContact O-CD2 3.31Å; S363-Y367 WeakPolarHBondContact O-CD2 3.09Å; Y367-T371 PolarHBondContact O-OG1 3.04Å |
| 368 | K | 36.1 | Very low | 34.7 | Very low | 163 Ų | 163 | 133.3 Ų | 133.3 | 71% | 0.709 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -88.3 | -18.5 | 174 | -114.9 | 176.6 | -177.2 | 172.7 | 0 | 113.9 | ||
| 369 | T | 37.8 | Very low | 34.7 | Very low | 96 Ų | 96 | 132.8 Ų | 132.8 | 59% | 0.589 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -91.5 | -23.2 | 177.8 | 44 | 0 | 0 | 0 | 0 | 113.3 | E366 | E366-T369 PolarHBondContact O-OG1 2.94Å |
| 370 | K | 35.5 | Very low | 34.7 | Very low | 141 Ų | 141 | 138.7 Ų | 138.7 | 61% | 0.613 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -85.1 | -25.7 | 174.8 | -83.1 | 178.1 | 178.3 | 170.1 | 0 | 115 | ||
| 371 | T | 34.3 | Very low | 34.6 | Very low | 98 Ų | 98 | 143 Ų | 143 | 60% | 0.601 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | -10.6 | 178.3 | 43 | 0 | 0 | 0 | 0 | 114.5 | Y367 | Y367-T371 PolarHBondContact O-OG1 3.04Š|
| 372 | K | 37.3 | Very low | 34.8 | Very low | 180 Ų | 180 | 144.6 Ų | 144.6 | 78% | 0.783 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | -16.3 | 167.2 | -92.9 | -178.1 | 176 | -179 | 0 | 114.4 | ||
| 373 | S | 37.7 | Very low | 34.8 | Very low | 86 Ų | 86 | 146.2 Ų | 146.2 | 60% | 0.601 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | -25.9 | 178.7 | -170.1 | 0 | 0 | 0 | 0 | 113.1 | ||
| 374 | I | 37.1 | Very low | 35.1 | Very low | 129 Ų | 129 | 155 Ų | 155 | 66% | 0.662 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -90.8 | -19.7 | -175.6 | -61.3 | 170.5 | 0 | 0 | 0 | 112.5 | ||
| 375 | K | 35.9 | Very low | 35.2 | Very low | 193 Ų | 193 | 157.2 Ų | 157.2 | 84% | 0.839 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | 4 | 177.3 | -116.7 | 177.5 | -176.9 | 178.3 | 0 | 115.6 | ||
| 376 | S | 37.5 | Very low | 35.1 | Very low | 103 Ų | 103 | 157.2 Ų | 157.2 | 72% | 0.72 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.6 | 7.2 | 177.7 | -167.7 | 0 | 0 | 0 | 0 | 113.9 | ||
| 377 | K | 38.2 | Very low | 35.2 | Very low | 198 Ų | 198 | 158.7 Ų | 158.7 | 86% | 0.861 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -119.1 | 7.1 | -178.6 | -97.8 | -177.8 | 175.2 | 179.6 | 0 | 115.2 | ||
| 378 | E | 33.5 | Very low | 35.5 | Very low | 171 Ų | 171 | 157.8 Ų | 157.8 | 80% | 0.799 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -118.4 | 25.6 | -174.7 | -115.5 | 179.9 | -176 | 0 | 0 | 114.2 | ||
| 379 | N | 31.7 | Very low | 35.4 | Very low | 153 Ų | 153 | 157.4 Ų | 157.4 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -148.6 | 59.6 | 177.8 | -121 | -4.1 | 0 | 0 | 0 | 112 | ||
| 380 | F | 31.9 | Very low | 35.3 | Very low | 210 Ų | 210 | 161.5 Ų | 161.5 | 92% | 0.921 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -164.8 | 53.4 | 161.6 | -111.4 | -72.2 | 0 | 0 | 0 | 111.6 | ||
| 381 | Q | 32.4 | Very low | 35.3 | Very low | 192 Ų | 192 | 163 Ų | 163 | 90% | 0.897 | 81% | 0.814 | S | S | * | * | trans | -152.2 | 79.4 | 160.8 | -80.7 | -160.9 | -7.8 | 0 | 0 | 110.6 | ||||
| 382 | I | 36.7 | Very low | 35.3 | Very low | 163 Ų | 163 | 168 Ų | 168 | 84% | 0.836 | 83% | 0.83 | S | S | * | * | trans | -154.1 | 91.1 | 147.2 | -52.9 | -176.3 | 0 | 0 | 0 | 102.9 | ||||
| 383 | E | 32.4 | Very low | 35.2 | Very low | 175 Ų | 175 | 167 Ų | 167 | 82% | 0.818 | 83% | 0.834 | S | S | * | * | 53.5 | 79.8 | 84.6 | -156.3 | 171.5 | -156.1 | 0 | 0 | 113.8 | |||||
| 384 | N | 37 | Very low | 34.9 | Very low | 231 Ų | 231 | 174.4 Ų | 174.4 | 100% | 1.235 | 86% | 0.855 | S | S | * | * | 177.7 | 0 | 118.5 | -95.6 | -21.6 | 0 | 0 | 0 | 111.9 |
Retrieved 384 of 384 residues in 440.9 ms
(Link to these results)