| 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 | 28.7 | Very low | 28.4 | Very low | 252 Ų | 252 | 164.8 Ų | 164.8 | 100% | 1.241 | 80% | 0.797 | S | S | * | * | 0 | 121.3 | 0 | -73.1 | -173.3 | -166.4 | 0 | 0 | 107.8 | |||||
| 2 | G | 31.4 | Very low | 29.4 | Very low | 66 Ų | 66 | 153.7 Ų | 153.7 | 68% | 0.68 | 74% | 0.741 | S | S | * | * | trans | 144.8 | 59.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | L4 | G2-L4 PolarHBondContact O-N 3.33Š| ||
| 3 | F | 25.1 | Very low | 30.4 | Very low | 215 Ų | 215 | 144.5 Ų | 144.5 | 94% | 0.943 | 70% | 0.698 | S | S | * | * | trans | -67.4 | 85 | 170.6 | -84 | -86.7 | 0 | 0 | 0 | 108.9 | R5 | F3-R5 PolarHBondContact O-N 2.66Å; F3-R5 VanDerWaalsContact O-N 3.15Å | ||
| 4 | L | 22.9 | Very low | 30.7 | Very low | 161 Ų | 161 | 136 Ų | 136 | 84% | 0.843 | 66% | 0.661 | S | S | * | * | trans | -77.3 | 95.5 | 167.2 | -83.5 | 162.4 | 0 | 0 | 0 | 108.2 | G2 I6 | G2-L4 PolarHBondContact O-N 3.33Å; L4-I6 PolarHBondContact O-N 3.29Å | ||
| 5 | R | 24.6 | Very low | 30.9 | Very low | 236 Ų | 236 | 136.1 Ų | 136.1 | 89% | 0.891 | 67% | 0.665 | S | S | * | * | trans | -61.4 | 99.9 | 166.6 | -83 | -178.8 | 170.8 | 179.2 | -3 | 109.1 | F3 R7 | F3-R5 PolarHBondContact O-N 2.66Å; F3-R5 VanDerWaalsContact O-N 3.15Å; R5-R7 PolarHBondContact O-N 2.96Å | ||
| 6 | I | 26.1 | Very low | 31.1 | Very low | 162 Ų | 162 | 138.1 Ų | 138.1 | 83% | 0.831 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 120.9 | 167.1 | -59.9 | 170.4 | 0 | 0 | 0 | 107.8 | L4 | L4-I6 PolarHBondContact O-N 3.29Š|
| 7 | R | 23 | Very low | 31 | Very low | 194 Ų | 194 | 138.4 Ų | 138.4 | 73% | 0.732 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -91.2 | 136.8 | 168.2 | -78.8 | -178.3 | 172.4 | 170.1 | -1.6 | 108.5 | R5 | R5-R7 PolarHBondContact O-N 2.96Š|
| 8 | P | 26.1 | Very low | 31.1 | Very low | 104 Ų | 104 | 136.8 Ų | 136.8 | 68% | 0.675 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 156.7 | 170.7 | 29.1 | -32.8 | 0 | 0 | 0 | 109.5 | K10 | P8-K10 PolarHBondContact O-N 3.2Š|
| 9 | P | 30.6 | Very low | 31.1 | Very low | 88 Ų | 88 | 135.1 Ų | 135.1 | 57% | 0.571 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 118.1 | 179.2 | 21.7 | -30.9 | 0 | 0 | 0 | 109.1 | R11 | P9-R11 PolarHBondContact O-N 3.5Š|
| 10 | K | 34.9 | Very low | 31.3 | Very low | 167 Ų | 167 | 132.6 Ų | 132.6 | 73% | 0.726 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -63.8 | 106.5 | 174.8 | -83.4 | -176.9 | 173.6 | -177 | 0 | 107.8 | P8 | P8-K10 PolarHBondContact O-N 3.2Š|
| 11 | R | 39.3 | Very low | 31.9 | Very low | 168 Ų | 168 | 131 Ų | 131 | 63% | 0.634 | 66% | 0.656 | S | S | * | * | trans | 82.2 | 94.5 | 164 | -64.6 | 178.6 | 165.5 | 163.5 | -6.6 | 116.9 | P9 L13 L15 | P9-R11 PolarHBondContact O-N 3.5Å; R11-L13 PolarHBondContact O-N 2.72Å; R11-L15 PolarHBondContact NH2-O 2.85Å | ||
| 12 | Y | 40.4 | Very low | 33.2 | Very low | 31 Ų | 31 | 121 Ų | 121 | 12% | 0.122 | 60% | 0.604 | C | S | . | * | S | Bend | trans | -75 | 96.3 | 148.1 | -167.5 | -75.8 | 0 | 0 | 0 | 108.5 | S14 I761 E864 G868 F871 | Y12-S14 WeakPolarHBondContact O-CB 2.96Å; Y12-S14 PolarHBondContact O-N 3.32Å; Y12-S14 PolarHBondContact O-OG 2.95Å; Y12-I761 HydrophobicContact CD1-CD1 3.14Å; Y12-I761 HydrophobicContact CE1-CD1 3.29Å; Y12-I761 HydrophobicContact CG-CD1 3.86Å; Y12-E864 PolarHBondContact OH-O 2.78Å; Y12-G868 WeakPolarHBondContact OH-CA 3.13Å; Y12-G868 PolarHBondContact OH-N 3.08Å; Y12-F871 HydrophobicContact CD2-CB 4.23Å; Y12-F871 HydrophobicContact CD2-CD1 4.33Å; Y12-F871 HydrophobicContact CD2-CG 4.24Å; Y12-F871 HydrophobicContact CE2-CB 4.35Å; Y12-F871 HydrophobicContact CG-CD1 4.41Å |
| 13 | L | 41.9 | Very low | 34.7 | Very low | 35 Ų | 35 | 118.9 Ų | 118.9 | 18% | 0.183 | 58% | 0.583 | C | S | . | * | S | Bend | trans | 37.4 | -5.5 | 176.1 | -97.1 | 166.5 | 0 | 0 | 0 | 120.8 | R11 Y22 L30 E864 | R11-L13 PolarHBondContact O-N 2.72Å; L13-Y22 VanDerWaalsContact CD1-OH 3.31Å; L13-Y22 WeakPolarHBondContact CD1-OH 3.11Å; L13-Y22 HydrophobicContact CD2-CE1 4.04Å; L13-L30 HydrophobicContact CD1-CD2 4.47Å; L13-E864 HydrophobicContact CD1-CG 3.42Å; L13-E864 VanDerWaalsContact CD1-CG 3.42Å; L13-E864 VanDerWaalsContact CD1-OE1 3.28Å; L13-E864 WeakPolarHBondContact CD1-OE1 3.46Å |
| 14 | S | 34.3 | Very low | 36.8 | Very low | 25 Ų | 25 | 112.6 Ų | 112.6 | 18% | 0.175 | 56% | 0.559 | C | S | . | * | trans | -113.3 | 150.7 | -168.5 | 59.4 | 0 | 0 | 0 | 0 | 110.9 | Y12 | Y12-S14 WeakPolarHBondContact O-CB 2.96Å; Y12-S14 PolarHBondContact O-N 3.32Å; Y12-S14 PolarHBondContact O-OG 2.95Å | ||
| 15 | L | 35.1 | Very low | 39.3 | Very low | 138 Ų | 138 | 108.5 Ų | 108.5 | 72% | 0.723 | 54% | 0.544 | S | S | * | . | trans | 90.3 | 41.1 | -171.6 | -48.4 | 176.3 | 0 | 0 | 0 | 115.5 | R11 | R11-L15 PolarHBondContact NH2-O 2.85Š| ||
| 16 | R | 33.4 | Very low | 41.9 | Very low | 168 Ų | 168 | 98.9 Ų | 98.9 | 63% | 0.634 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -106.5 | 137.3 | 140.3 | -87.9 | -172.4 | 171.1 | 172.2 | -3.1 | 108.8 | D26 | R16-D26 IonicContact NH1-OD2 3.74Š|
| 17 | D | 29.8 | Very low | 44.7 | Very low | 143 Ų | 143 | 91.7 Ų | 91.7 | 77% | 0.765 | 47% | 0.474 | S | S | * | . | trans | -48.6 | 144.2 | 178.1 | -76.9 | -47.9 | 0 | 0 | 0 | 111.8 | S19 T20 | D17-S19 PolarHBondContact O-N 2.81Å; D17-T20 PolarHBondContact O-N 2.79Å | ||
| 18 | S | 33.1 | Very low | 47.6 | Very low | 110 Ų | 110 | 85.1 Ų | 85.1 | 77% | 0.769 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | 32.5 | -169.3 | 54.9 | 0 | 0 | 0 | 0 | 116.4 | ||
| 19 | S | 31.1 | Very low | 50.6 | Low | 104 Ų | 104 | 84.4 Ų | 84.4 | 73% | 0.727 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -141.5 | -4.5 | -177 | 60.7 | 0 | 0 | 0 | 0 | 114.9 | D17 | D17-S19 PolarHBondContact O-N 2.81Š|
| 20 | T | 34.5 | Very low | 53.4 | Low | 84 Ų | 84 | 80.3 Ų | 80.3 | 52% | 0.515 | 41% | 0.408 | S | S | . | . | trans | -100 | 110.3 | 179 | 47.4 | 0 | 0 | 0 | 0 | 111.4 | D17 | D17-T20 PolarHBondContact O-N 2.79Š| ||
| 21 | Y | 43.5 | Very low | 56 | Low | 99 Ų | 99 | 73.3 Ų | 73.3 | 39% | 0.388 | 38% | 0.377 | S | S | . | . | trans | -30.4 | 143.1 | 159.6 | -125.8 | -100.6 | 0 | 0 | 0 | 111.9 | G23 Q744 N747 | Y21-G23 PolarHBondContact O-N 2.88Å; Y21-Q744 VanDerWaalsContact CE2-NE2 3.32Å; Y21-Q744 VanDerWaalsContact CZ-NE2 3.34Å; Y21-Q744 PolarHBondContact OH-NE2 2.63Å; Y21-Q744 PolarHBondContact OH-O 3.19Å; Y21-Q744 PolarHBondContact OH-OE1 2.82Å; Y21-N747 HydrophobicContact CE1-CB 3.66Å; Y21-N747 WeakPolarHBondContact OH-CB 3.41Å | ||
| 22 | Y | 55.4 | Low | 58.3 | Low | 42 Ų | 42 | 72.6 Ų | 72.6 | 17% | 0.165 | 38% | 0.381 | C | S | . | . | trans | -48.8 | 104.1 | 167.5 | -104.1 | -89.5 | 0 | 0 | 0 | 107.9 | L13 D26 L30 N754 Y861 | L13-Y22 VanDerWaalsContact CD1-OH 3.31Å; L13-Y22 WeakPolarHBondContact CD1-OH 3.11Å; L13-Y22 HydrophobicContact CD2-CE1 4.04Å; Y22-D26 HydrophobicContact CD1-CB 3.81Å; Y22-D26 HydrophobicContact CE1-CB 4.23Å; Y22-L30 HydrophobicContact CE1-CD1 4.03Å; Y22-N754 HydrophobicContact CE2-CB 4.33Å; Y22-N754 WeakPolarHBondContact CE2-ND2 3.3Å; Y22-N754 PolarHBondContact OH-ND2 2.96Å; Y22-N754 VanDerWaalsContact OH-ND2 3.11Å; Y22-N754 PolarHBondContact OH-OD1 3.42Å; Y22-Y861 HydrophobicContact CD1-CE1 4.5Å; Y22-Y861 HydrophobicContact CE1-CE1 4.09Å | ||
| 23 | G | 63.1 | Low | 60.6 | Low | 23 Ų | 23 | 74.9 Ų | 74.9 | 24% | 0.237 | 39% | 0.392 | C | S | . | . | trans | -68.6 | 152 | -178.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | Y21 S25 D26 V27 | Y21-G23 PolarHBondContact O-N 2.88Å; G23-S25 PolarHBondContact O-N 3.01Å; G23-D26 PolarHBondContact N-OD2 2.92Å; G23-D26 WeakPolarHBondContact O-CB 3.19Å; G23-D26 PolarHBondContact O-N 3.25Å; G23-V27 PolarHBondContact O-N 2.97Å | ||
| 24 | L | 69.2 | Low | 62.9 | Low | 82 Ų | 82 | 74 Ų | 74 | 43% | 0.429 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -51.6 | -32.2 | 172.7 | -178.1 | 61 | 0 | 0 | 0 | 112.1 | D26 V27 K28 D714 K715 | L24-D26 PolarHBondContact O-N 2.94Å; L24-V27 PolarHBondContact O-N 3.15Å; L24-K28 HydrophobicContact CD1-CG 4.37Å; L24-K28 HydrophobicContact CG-CG 4.44Å; L24-K28 WeakPolarHBondContact O-CG 3.45Å; L24-K28 PolarHBondContact O-N 2.96Å; L24-D714 VanDerWaalsContact CD1-O 3.27Å; L24-D714 WeakPolarHBondContact CD1-O 3.35Å; L24-K715 WeakPolarHBondContact CD1-O 3.23Å |
| 25 | S | 76.2 | Confident | 65.5 | Low | 76 Ų | 76 | 73.7 Ų | 73.7 | 53% | 0.531 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.9 | -37.8 | 174.3 | 53.3 | 0 | 0 | 0 | 0 | 113.7 | G23 R29 | G23-S25 PolarHBondContact O-N 3.01Å; S25-R29 WeakPolarHBondContact O-CB 3.25Å; S25-R29 PolarHBondContact O-N 3.22Å |
| 26 | D | 80.1 | Confident | 68 | Low | 34 Ų | 34 | 71 Ų | 71 | 18% | 0.182 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -69.8 | -42.7 | 177 | -67.9 | -51.2 | 0 | 0 | 0 | 110.7 | R16 Y22 G23 L24 R29 L30 | R16-D26 IonicContact NH1-OD2 3.74Å; Y22-D26 HydrophobicContact CD1-CB 3.81Å; Y22-D26 HydrophobicContact CE1-CB 4.23Å; G23-D26 PolarHBondContact N-OD2 2.92Å; G23-D26 WeakPolarHBondContact O-CB 3.19Å; G23-D26 PolarHBondContact O-N 3.25Å; L24-D26 PolarHBondContact O-N 2.94Å; D26-R29 WeakPolarHBondContact O-CB 3.32Å; D26-R29 PolarHBondContact O-N 3.01Å; D26-L30 WeakPolarHBondContact O-CG 3.15Å; D26-L30 PolarHBondContact O-N 3.4Å |
| 27 | V | 83.6 | Confident | 70.6 | Confident | 11 Ų | 11 | 65.3 Ų | 65.3 | 7% | 0.067 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -59 | -51.5 | 175.7 | 173 | 0 | 0 | 0 | 0 | 111.1 | G23 L24 R29 L30 E31 | G23-V27 PolarHBondContact O-N 2.97Å; L24-V27 PolarHBondContact O-N 3.15Å; V27-R29 VanDerWaalsContact C-N 3.28Å; V27-R29 PolarHBondContact O-N 2.76Å; V27-L30 WeakPolarHBondContact O-CB 3.24Å; V27-L30 PolarHBondContact O-N 3.27Å; V27-L30 VanDerWaalsContact O-N 3.09Å; V27-E31 PolarHBondContact O-N 3.04Å |
| 28 | K | 84.4 | Confident | 73.3 | Confident | 56 Ų | 56 | 58.9 Ų | 58.9 | 24% | 0.243 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.7 | -35.1 | 178.1 | -70 | -59.2 | -171 | -177.1 | 0 | 112.3 | L24 E31 Q32 D714 | L24-K28 HydrophobicContact CD1-CG 4.37Å; L24-K28 HydrophobicContact CG-CG 4.44Å; L24-K28 WeakPolarHBondContact O-CG 3.45Å; L24-K28 PolarHBondContact O-N 2.96Å; K28-E31 WeakPolarHBondContact CD-OE2 3.47Å; K28-E31 IonicContact NZ-OE2 3.87Å; K28-E31 PolarHBondContact NZ-OE2 3.33Å; K28-E31 PolarHBondContact O-N 2.98Å; K28-Q32 WeakPolarHBondContact O-CB 3.16Å; K28-Q32 VanDerWaalsContact O-CG 3.29Å; K28-Q32 WeakPolarHBondContact O-CG 3.33Å; K28-Q32 PolarHBondContact O-N 2.72Å; K28-D714 IonicContact NZ-OD1 3.21Å; K28-D714 PolarHBondContact NZ-OD1 3.36Å |
| 29 | R | 88.6 | Confident | 75.8 | Confident | 89 Ų | 89 | 57.8 Ų | 57.8 | 34% | 0.336 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.9 | -40.9 | 173.9 | -176.6 | -178.7 | 66.5 | 84.7 | 4.6 | 111.9 | S25 D26 V27 K33 | S25-R29 WeakPolarHBondContact O-CB 3.25Å; S25-R29 PolarHBondContact O-N 3.22Å; D26-R29 WeakPolarHBondContact O-CB 3.32Å; D26-R29 PolarHBondContact O-N 3.01Å; V27-R29 VanDerWaalsContact C-N 3.28Å; V27-R29 PolarHBondContact O-N 2.76Å; R29-K33 WeakPolarHBondContact O-CB 3.37Å; R29-K33 PolarHBondContact O-N 3.31Å; R29-K33 VanDerWaalsContact O-N 3.08Å |
| 30 | L | 88.8 | Confident | 78.4 | Confident | 2 Ų | 2 | 58.9 Ų | 58.9 | 1% | 0.01 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66.5 | -43.2 | 176.2 | -66.9 | -179.3 | 0 | 0 | 0 | 111.6 | L13 Y22 D26 V27 Q32 K33 W34 I860 Y861 E864 | L13-L30 HydrophobicContact CD1-CD2 4.47Å; Y22-L30 HydrophobicContact CE1-CD1 4.03Å; D26-L30 WeakPolarHBondContact O-CG 3.15Å; D26-L30 PolarHBondContact O-N 3.4Å; V27-L30 WeakPolarHBondContact O-CB 3.24Å; V27-L30 PolarHBondContact O-N 3.27Å; V27-L30 VanDerWaalsContact O-N 3.09Å; L30-Q32 PolarHBondContact O-N 3.43Å; L30-K33 PolarHBondContact O-N 2.91Å; L30-W34 PolarHBondContact O-N 3.42Å; L30-I860 HydrophobicContact CB-CG2 3.87Å; L30-Y861 HydrophobicContact CD1-CD1 4.4Å; L30-Y861 HydrophobicContact CD1-CE1 4.05Å; L30-E864 HydrophobicContact CD2-CB 4.03Å; L30-E864 VanDerWaalsContact CD2-CD 3.48Å; L30-E864 HydrophobicContact CD2-CG 3.6Å |
| 31 | E | 89.5 | Confident | 80.6 | Confident | 19 Ų | 19 | 55.4 Ų | 55.4 | 9% | 0.089 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -57.9 | -47.9 | 175 | -73.5 | 179.7 | 171.2 | 0 | 0 | 111.4 | V27 K28 K33 W34 L35 G717 M718 I860 | V27-E31 PolarHBondContact O-N 3.04Å; K28-E31 WeakPolarHBondContact CD-OE2 3.47Å; K28-E31 IonicContact NZ-OE2 3.87Å; K28-E31 PolarHBondContact NZ-OE2 3.33Å; K28-E31 PolarHBondContact O-N 2.98Å; E31-K33 VanDerWaalsContact C-N 3.29Å; E31-K33 PolarHBondContact O-N 3.39Å; E31-W34 PolarHBondContact O-N 3Å; E31-L35 HydrophobicContact CB-CD1 3.82Å; E31-L35 HydrophobicContact CB-CG 4.41Å; E31-L35 HydrophobicContact CG-CD1 4.27Å; E31-L35 WeakPolarHBondContact O-CB 3.32Å; E31-L35 WeakPolarHBondContact O-CG 3.4Å; E31-L35 PolarHBondContact O-N 3.11Å; E31-G717 VanDerWaalsContact OE1-CA 3.31Å; E31-G717 WeakPolarHBondContact OE1-CA 3.06Å; E31-M718 PolarHBondContact OE1-N 3.22Å; E31-I860 HydrophobicContact CB-CD1 4.46Å; E31-I860 HydrophobicContact CG-CD1 3.76Å |
| 32 | Q | 89.4 | Confident | 82.4 | Confident | 154 Ų | 154 | 51.5 Ų | 51.5 | 72% | 0.72 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -60.6 | -36.8 | 176.5 | -74.4 | 172.8 | -3.1 | 0 | 0 | 113 | K28 L30 | K28-Q32 WeakPolarHBondContact O-CB 3.16Å; K28-Q32 VanDerWaalsContact O-CG 3.29Å; K28-Q32 WeakPolarHBondContact O-CG 3.33Å; K28-Q32 PolarHBondContact O-N 2.72Å; L30-Q32 PolarHBondContact O-N 3.43Å |
| 33 | K | 88.6 | Confident | 83.6 | Confident | 79 Ų | 79 | 55.5 Ų | 55.5 | 34% | 0.343 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -71.7 | -46.6 | 180 | -178 | -177.2 | 173.4 | -166.2 | 0 | 112 | R29 L30 E31 E864 | R29-K33 WeakPolarHBondContact O-CB 3.37Å; R29-K33 PolarHBondContact O-N 3.31Å; R29-K33 VanDerWaalsContact O-N 3.08Å; L30-K33 PolarHBondContact O-N 2.91Å; E31-K33 VanDerWaalsContact C-N 3.29Å; E31-K33 PolarHBondContact O-N 3.39Å; K33-E864 IonicContact NZ-OE1 3.23Å; K33-E864 IonicContact NZ-OE2 3.83Å; K33-E864 PolarHBondContact NZ-OE2 3.48Å |
| 34 | W | 89.2 | Confident | 84.3 | Confident | 15 Ų | 15 | 59.4 Ų | 59.4 | 6% | 0.057 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -104.5 | -29.9 | -164.5 | -64.3 | 125.3 | 0 | 0 | 0 | 115.4 | L30 E31 V37 I38 I860 S863 E864 P924 | L30-W34 PolarHBondContact O-N 3.42Å; E31-W34 PolarHBondContact O-N 3Å; W34-V37 HydrophobicContact CE3-CG2 4.48Å; W34-V37 PolarHBondContact O-N 2.67Å; W34-I38 HydrophobicContact CB-CD1 3.93Å; W34-I38 WeakPolarHBondContact O-CG1 3.49Å; W34-I38 PolarHBondContact O-N 2.87Å; W34-I860 HydrophobicContact CB-CG2 4.19Å; W34-S863 WeakPolarHBondContact CZ2-O 3.24Å; W34-E864 VanDerWaalsContact CE2-OE2 3.3Å; W34-E864 WeakPolarHBondContact CZ2-OE2 3.39Å; W34-E864 PolarHBondContact NE1-OE2 3.46Å; W34-P924 HydrophobicContact CE3-CB 4Å; W34-P924 HydrophobicContact CE3-CG 3.51Å; W34-P924 HydrophobicContact CH2-CB 4.15Å; W34-P924 HydrophobicContact CH2-CG 4.31Å; W34-P924 HydrophobicContact CZ3-CB 3.34Å; W34-P924 HydrophobicContact CZ3-CG 3.38Å |
| 35 | L | 88.6 | Confident | 84.5 | Confident | 20 Ų | 20 | 58.8 Ų | 58.8 | 11% | 0.105 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -55.2 | -44.8 | -178.7 | -78.8 | 171.4 | 0 | 0 | 0 | 113.5 | E31 V37 I38 R39 S138 M718 I860 | E31-L35 HydrophobicContact CB-CD1 3.82Å; E31-L35 HydrophobicContact CB-CG 4.41Å; E31-L35 HydrophobicContact CG-CD1 4.27Å; E31-L35 WeakPolarHBondContact O-CB 3.32Å; E31-L35 WeakPolarHBondContact O-CG 3.4Å; E31-L35 PolarHBondContact O-N 3.11Å; L35-V37 PolarHBondContact O-N 2.97Å; L35-I38 PolarHBondContact O-N 3.32Å; L35-R39 WeakPolarHBondContact O-CB 3.32Å; L35-R39 VanDerWaalsContact O-CG 3.29Å; L35-R39 WeakPolarHBondContact O-CG 3.34Å; L35-R39 PolarHBondContact O-N 2.78Å; L35-S138 VanDerWaalsContact CD2-OG 3.26Å; L35-S138 WeakPolarHBondContact CD2-OG 3.44Å; L35-M718 HydrophobicContact CD2-CE 4.35Å; L35-M718 HydrophobicContact CD2-SD 4.09Å; L35-I860 HydrophobicContact CD1-CD1 4.41Å; L35-I860 HydrophobicContact CD2-CD1 3.75Å; L35-I860 HydrophobicContact CD2-CG1 4.32Å; L35-I860 HydrophobicContact CG-CD1 3.79Å; L35-I860 HydrophobicContact CG-CG1 4.5Å |
| 36 | P | 88.8 | Confident | 84.1 | Confident | 81 Ų | 81 | 56.5 Ų | 56.5 | 53% | 0.526 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60 | -36.1 | 178.1 | -24 | 35.1 | 0 | 0 | 0 | 112.7 | K40 | P36-K40 PolarHBondContact O-N 3.23Å |
| 37 | V | 87.1 | Confident | 83.3 | Confident | 49 Ų | 49 | 57.6 Ų | 57.6 | 30% | 0.297 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -75.6 | -45.3 | -178.6 | -165.1 | 0 | 0 | 0 | 0 | 111.2 | W34 L35 R39 K40 I41 P924 | W34-V37 HydrophobicContact CE3-CG2 4.48Å; W34-V37 PolarHBondContact O-N 2.67Å; L35-V37 PolarHBondContact O-N 2.97Å; V37-R39 VanDerWaalsContact C-N 3.35Å; V37-R39 PolarHBondContact O-N 3.17Å; V37-K40 WeakPolarHBondContact O-CB 3.42Å; V37-K40 PolarHBondContact O-N 2.99Å; V37-I41 HydrophobicContact CG1-CD1 4.23Å; V37-I41 WeakPolarHBondContact O-CG1 3.27Å; V37-I41 PolarHBondContact O-N 3.48Å; V37-P924 HydrophobicContact CB-CB 4.49Å; V37-P924 HydrophobicContact CB-CG 3.95Å; V37-P924 HydrophobicContact CG1-CB 3.77Å; V37-P924 HydrophobicContact CG1-CG 3.51Å |
| 38 | I | 87 | Confident | 82 | Confident | 7 Ų | 7 | 62.2 Ų | 62.2 | 4% | 0.036 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58.9 | -47.8 | 177.3 | -68.4 | 160.5 | 0 | 0 | 0 | 110.2 | W34 L35 K40 I41 D42 P859 I860 | W34-I38 HydrophobicContact CB-CD1 3.93Å; W34-I38 WeakPolarHBondContact O-CG1 3.49Å; W34-I38 PolarHBondContact O-N 2.87Å; L35-I38 PolarHBondContact O-N 3.32Å; I38-K40 VanDerWaalsContact C-N 3.28Å; I38-K40 PolarHBondContact O-N 3.2Å; I38-I41 PolarHBondContact O-N 3.03Å; I38-I41 VanDerWaalsContact O-N 3.15Å; I38-D42 WeakPolarHBondContact CG2-OD2 3.25Å; I38-D42 PolarHBondContact O-N 3.27Å; I38-P859 HydrophobicContact CD1-CB 4.01Å; I38-P859 HydrophobicContact CG2-CB 4.36Å; I38-I860 HydrophobicContact CD1-CB 4.43Å; I38-I860 HydrophobicContact CD1-CG1 3.74Å |
| 39 | R | 86 | Confident | 80.5 | Confident | 88 Ų | 88 | 68.7 Ų | 68.7 | 33% | 0.332 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -59.5 | -39.3 | 178.3 | -73.3 | 176.7 | -177 | 168.2 | 4.6 | 112.6 | L35 V37 D42 L43 N134 | L35-R39 WeakPolarHBondContact O-CB 3.32Å; L35-R39 VanDerWaalsContact O-CG 3.29Å; L35-R39 WeakPolarHBondContact O-CG 3.34Å; L35-R39 PolarHBondContact O-N 2.78Å; V37-R39 VanDerWaalsContact C-N 3.35Å; V37-R39 PolarHBondContact O-N 3.17Å; R39-D42 PolarHBondContact O-N 2.99Å; R39-L43 WeakPolarHBondContact O-CB 3.4Å; R39-L43 WeakPolarHBondContact O-CD1 3.4Å; R39-L43 WeakPolarHBondContact O-CG 3.23Å; R39-L43 PolarHBondContact O-N 3.39Å; R39-N134 PolarHBondContact NH2-O 3.32Å |
| 40 | K | 84.3 | Confident | 78.7 | Confident | 126 Ų | 126 | 65.9 Ų | 65.9 | 55% | 0.548 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.4 | -47.3 | 176.2 | -179.3 | -178.7 | 170.7 | -177.3 | 0 | 111.1 | P36 V37 I38 D42 L43 E44 | P36-K40 PolarHBondContact O-N 3.23Å; V37-K40 WeakPolarHBondContact O-CB 3.42Å; V37-K40 PolarHBondContact O-N 2.99Å; I38-K40 VanDerWaalsContact C-N 3.28Å; I38-K40 PolarHBondContact O-N 3.2Å; K40-D42 VanDerWaalsContact C-N 3.34Å; K40-D42 PolarHBondContact O-N 3.01Å; K40-L43 PolarHBondContact O-N 3.36Å; K40-E44 WeakPolarHBondContact CE-OE1 3.46Å; K40-E44 IonicContact NZ-OE1 2.8Å; K40-E44 WeakPolarHBondContact O-CG 3.44Å; K40-E44 PolarHBondContact O-N 3.36Å |
| 41 | I | 81.4 | Confident | 76.9 | Confident | 11 Ų | 11 | 73.1 Ų | 73.1 | 6% | 0.056 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -60.8 | -44.9 | 177.5 | -67.9 | 167.9 | 0 | 0 | 0 | 110.5 | V37 I38 L43 E44 N45 Q921 | V37-I41 HydrophobicContact CG1-CD1 4.23Å; V37-I41 WeakPolarHBondContact O-CG1 3.27Å; V37-I41 PolarHBondContact O-N 3.48Å; I38-I41 PolarHBondContact O-N 3.03Å; I38-I41 VanDerWaalsContact O-N 3.15Å; I41-L43 VanDerWaalsContact C-N 3.34Å; I41-L43 PolarHBondContact O-N 3.06Å; I41-E44 PolarHBondContact O-N 3.21Å; I41-N45 WeakPolarHBondContact CG2-ND2 3.09Å; I41-N45 WeakPolarHBondContact O-CB 3.31Å; I41-N45 PolarHBondContact O-N 3.45Å; I41-N45 PolarHBondContact O-ND2 2.96Å; I41-Q921 WeakPolarHBondContact CG2-O 3.32Å |
| 42 | D | 82 | Confident | 75.6 | Confident | 18 Ų | 18 | 76.2 Ų | 76.2 | 10% | 0.096 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -60.9 | -42.2 | 178.5 | -66.3 | -25 | 0 | 0 | 0 | 112 | I38 R39 K40 N45 S46 R85 A140 | I38-D42 WeakPolarHBondContact CG2-OD2 3.25Å; I38-D42 PolarHBondContact O-N 3.27Å; R39-D42 PolarHBondContact O-N 2.99Å; K40-D42 VanDerWaalsContact C-N 3.34Å; K40-D42 PolarHBondContact O-N 3.01Å; D42-N45 PolarHBondContact O-N 3.09Å; D42-S46 WeakPolarHBondContact O-CB 3.25Å; D42-S46 PolarHBondContact O-N 3.45Å; D42-S46 VanDerWaalsContact O-N 3.08Å; D42-S46 PolarHBondContact O-OG 2.78Å; D42-R85 VanDerWaalsContact CG-NH1 3.27Å; D42-R85 IonicContact OD1-CZ 2.81Å; D42-R85 IonicContact OD1-NH1 3.53Å; D42-R85 PolarHBondContact OD1-NH1 3.17Å; D42-R85 IonicContact OD1-NH2 2.76Å; D42-R85 IonicContact OD2-CZ 3.65Å; D42-R85 VanDerWaalsContact OD2-CZ 3.28Å; D42-R85 IonicContact OD2-NH1 3.92Å; D42-R85 PolarHBondContact OD2-NH1 2.69Å; D42-R85 IonicContact OD2-NH2 2.71Å; D42-R85 PolarHBondContact OD2-NH2 2.84Å; D42-A140 HydrophobicContact CB-CB 3.85Å |
| 43 | L | 79.1 | Confident | 74.5 | Confident | 125 Ų | 125 | 73.9 Ų | 73.9 | 65% | 0.654 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -63.7 | -43.9 | 175.4 | -86.3 | 155.9 | 0 | 0 | 0 | 112.3 | R39 K40 I41 S46 S47 | R39-L43 WeakPolarHBondContact O-CB 3.4Å; R39-L43 WeakPolarHBondContact O-CD1 3.4Å; R39-L43 WeakPolarHBondContact O-CG 3.23Å; R39-L43 PolarHBondContact O-N 3.39Å; K40-L43 PolarHBondContact O-N 3.36Å; I41-L43 VanDerWaalsContact C-N 3.34Å; I41-L43 PolarHBondContact O-N 3.06Å; L43-S46 PolarHBondContact O-N 3.1Å; L43-S47 PolarHBondContact O-N 3.43Å |
| 44 | E | 78.9 | Confident | 73.8 | Confident | 105 Ų | 105 | 76.9 Ų | 76.9 | 49% | 0.491 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -63.3 | -43.4 | 178.5 | -74.4 | 173.8 | 179.2 | 0 | 0 | 111.1 | K40 I41 S46 S47 | K40-E44 WeakPolarHBondContact CE-OE1 3.46Å; K40-E44 IonicContact NZ-OE1 2.8Å; K40-E44 WeakPolarHBondContact O-CG 3.44Å; K40-E44 PolarHBondContact O-N 3.36Å; I41-E44 PolarHBondContact O-N 3.21Å; E44-S46 VanDerWaalsContact C-N 3.31Å; E44-S46 PolarHBondContact O-N 3.38Å; E44-S47 PolarHBondContact O-N 3.02Å; E44-S47 PolarHBondContact O-OG 2.99Å |
| 45 | N | 73.9 | Confident | 73.6 | Confident | 69 Ų | 69 | 80 Ų | 80 | 37% | 0.369 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -66.2 | -30.1 | 177.6 | -74.5 | -30.7 | 0 | 0 | 0 | 113.7 | I41 D42 S47 T88 | I41-N45 WeakPolarHBondContact CG2-ND2 3.09Å; I41-N45 WeakPolarHBondContact O-CB 3.31Å; I41-N45 PolarHBondContact O-N 3.45Å; I41-N45 PolarHBondContact O-ND2 2.96Å; D42-N45 PolarHBondContact O-N 3.09Å; N45-S47 VanDerWaalsContact C-N 3.33Å; N45-T88 HydrophobicContact CB-CG2 3.74Å |
| 46 | S | 67.8 | Low | 73.7 | Confident | 28 Ų | 28 | 79.2 Ų | 79.2 | 20% | 0.196 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -76 | -20.5 | 178.5 | -57.9 | 0 | 0 | 0 | 0 | 112.9 | D42 L43 E44 N48 | D42-S46 WeakPolarHBondContact O-CB 3.25Å; D42-S46 PolarHBondContact O-N 3.45Å; D42-S46 VanDerWaalsContact O-N 3.08Å; D42-S46 PolarHBondContact O-OG 2.78Å; L43-S46 PolarHBondContact O-N 3.1Å; E44-S46 VanDerWaalsContact C-N 3.31Å; E44-S46 PolarHBondContact O-N 3.38Å; S46-N48 PolarHBondContact O-N 3.29Å |
| 47 | S | 62.9 | Low | 74 | Confident | 57 Ų | 57 | 75.4 Ų | 75.4 | 40% | 0.399 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -71.2 | 129.1 | -178.8 | 73.1 | 0 | 0 | 0 | 0 | 111.2 | L43 E44 N45 K49 | L43-S47 PolarHBondContact O-N 3.43Å; E44-S47 PolarHBondContact O-N 3.02Å; E44-S47 PolarHBondContact O-OG 2.99Å; N45-S47 VanDerWaalsContact C-N 3.33Å; S47-K49 PolarHBondContact O-N 3.31Å |
| 48 | N | 55.5 | Low | 74.5 | Confident | 109 Ų | 109 | 73.1 Ų | 73.1 | 58% | 0.583 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -58.3 | 22 | -173.3 | -88.4 | -31.6 | 0 | 0 | 0 | 116.9 | S46 A50 | S46-N48 PolarHBondContact O-N 3.29Å; N48-A50 VanDerWaalsContact C-N 3.33Å; N48-A50 PolarHBondContact O-N 3.01Å |
| 49 | K | 52.4 | Low | 75 | Confident | 191 Ų | 191 | 72.8 Ų | 72.8 | 83% | 0.83 | 39% | 0.386 | S | S | * | . | trans | -83.6 | 12.2 | -166.6 | -71.5 | -170.7 | 175.9 | -179.3 | 0 | 116.1 | S47 | S47-K49 PolarHBondContact O-N 3.31Š| ||
| 50 | A | 51.1 | Low | 75.6 | Confident | 30 Ų | 30 | 68.6 Ų | 68.6 | 25% | 0.248 | 37% | 0.371 | C | S | . | . | trans | -116.9 | 94.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | N48 K53 | N48-A50 VanDerWaalsContact C-N 3.33Å; N48-A50 PolarHBondContact O-N 3.01Å; A50-K53 HydrophobicContact CB-CB 4.36Å; A50-K53 HydrophobicContact CB-CD 3.55Å; A50-K53 HydrophobicContact CB-CG 3.87Å | ||
| 51 | V | 51.9 | Low | 76.2 | Confident | 155 Ų | 155 | 63.6 Ų | 63.6 | 94% | 0.939 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | 129.8 | 165.9 | -179.6 | 0 | 0 | 0 | 0 | 108.5 | ||
| 52 | G | 62.2 | Low | 76.9 | Confident | 84 Ų | 84 | 63.9 Ų | 63.9 | 87% | 0.866 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.9 | -1.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||
| 53 | K | 65.7 | Low | 77.5 | Confident | 105 Ų | 105 | 63.2 Ų | 63.2 | 46% | 0.457 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -80.6 | 142.6 | 172.5 | -72.2 | -172 | 178.3 | -173.1 | 0 | 111.6 | A50 K55 G91 L93 | A50-K53 HydrophobicContact CB-CB 4.36Å; A50-K53 HydrophobicContact CB-CD 3.55Å; A50-K53 HydrophobicContact CB-CG 3.87Å; K53-K55 PolarHBondContact O-N 3.47Å; K53-G91 WeakPolarHBondContact CD-O 3.38Å; K53-L93 HydrophobicContact CB-CB 4.2Å |
| 54 | Q | 74.6 | Confident | 78.1 | Confident | 142 Ų | 142 | 60 Ų | 60 | 66% | 0.664 | 33% | 0.326 | S | S | * | . | P | Polyproline II helix | trans | -57.4 | 131.7 | 166.5 | -178.7 | 172 | -1.6 | 0 | 0 | 108.7 | E92 L93 | Q54-E92 HydrophobicContact CB-CG 4.46Å; Q54-E92 CarbonylContact O-C 3.49Å; Q54-E92 VanDerWaalsContact O-CA 3.26Å; Q54-E92 WeakPolarHBondContact O-CA 3.48Å; Q54-E92 WeakPolarHBondContact O-CB 3.29Å; Q54-L93 PolarHBondContact O-N 3.32Å |
| 55 | K | 84.7 | Confident | 78.8 | Confident | 79 Ų | 79 | 55 Ų | 55 | 34% | 0.343 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 143.4 | 178.1 | -66.2 | -177.3 | -179 | 178.3 | 0 | 109.7 | K53 L93 | K53-K55 PolarHBondContact O-N 3.47Å; K55-L93 WeakPolarHBondContact CA-O 3.47Å; K55-L93 HydrophobicContact CG-CB 4.35Å; K55-L93 HydrophobicContact CG-CD2 4.32Å |
| 56 | S | 91.1 | Very high | 79.1 | Confident | 4 Ų | 4 | 53.2 Ų | 53.2 | 3% | 0.028 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 127.9 | 171.6 | -106.9 | 0 | 0 | 0 | 0 | 109.1 | E92 L93 T94 I95 D608 | S56-E92 VanDerWaalsContact CB-OE2 3.28Å; S56-E92 WeakPolarHBondContact CB-OE2 3.37Å; S56-E92 PolarHBondContact OG-OE2 2.89Å; S56-L93 PolarHBondContact N-O 3.08Å; S56-T94 CarbonylContact O-C 3.52Å; S56-T94 VanDerWaalsContact O-CA 3.28Å; S56-T94 WeakPolarHBondContact O-CA 3.43Å; S56-I95 PolarHBondContact O-N 3.32Å; S56-D608 WeakPolarHBondContact CA-OD2 3.41Å |
| 57 | F | 95.4 | Very high | 79.9 | Confident | 2 Ų | 2 | 52.3 Ų | 52.3 | 1% | 0.009 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 101.3 | 174.3 | -166.2 | 177 | 0 | 0 | 0 | 110.3 | L59 I95 P97 L587 S604 L605 V607 D608 I609 | F57-L59 HydrophobicContact CD2-CB 4.34Å; F57-L59 HydrophobicContact CE2-CB 4.03Å; F57-L59 HydrophobicContact CE2-CD1 4.37Å; F57-L59 HydrophobicContact CZ-CD2 4.47Å; F57-I95 HydrophobicContact CD2-CB 3.96Å; F57-I95 HydrophobicContact CD2-CG2 4Å; F57-I95 HydrophobicContact CE2-CB 4.45Å; F57-I95 HydrophobicContact CE2-CG2 3.97Å; F57-I95 HydrophobicContact CG-CB 4.4Å; F57-P97 HydrophobicContact CE2-CG 3.73Å; F57-P97 HydrophobicContact CZ-CG 4.31Å; F57-L587 HydrophobicContact CD1-CD2 3.97Å; F57-L587 HydrophobicContact CE1-CD1 4.5Å; F57-L587 HydrophobicContact CE1-CD2 3.55Å; F57-L587 HydrophobicContact CE1-CG 4.07Å; F57-L587 HydrophobicContact CZ-CD2 4.18Å; F57-S604 WeakPolarHBondContact CD1-O 3.15Å; F57-L605 HydrophobicContact CE1-CD2 4.42Å; F57-V607 HydrophobicContact CD1-CB 4.36Å; F57-V607 HydrophobicContact CD1-CG2 3.8Å; F57-V607 HydrophobicContact CD2-CG1 4.49Å; F57-V607 HydrophobicContact CE1-CG2 3.81Å; F57-V607 HydrophobicContact CG-CG1 4.31Å; F57-V607 HydrophobicContact CG-CG2 4.32Å; F57-V607 HydrophobicContact CZ-CG2 4.32Å; F57-V607 WeakPolarHBondContact O-CG1 3.36Å; F57-D608 PolarHBondContact N-OD2 3.02Å; F57-D608 PolarHBondContact O-N 2.76Å; F57-I609 PolarHBondContact O-N 3.07Å |
| 58 | V | 96.5 | Very high | 81.1 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 119 | 177.4 | -175.7 | 0 | 0 | 0 | 0 | 108.6 | L83 A84 K87 T94 I95 C96 I609 I611 | V58-L83 HydrophobicContact CG1-CB 4.26Å; V58-A84 HydrophobicContact CB-CB 4.39Å; V58-K87 HydrophobicContact CG2-CG 4.5Å; V58-T94 HydrophobicContact CB-CG2 4.42Å; V58-T94 HydrophobicContact CG2-CG2 3.92Å; V58-I95 PolarHBondContact N-O 2.95Å; V58-I95 VanDerWaalsContact O-O 3.08Å; V58-C96 WeakPolarHBondContact O-CA 3.44Å; V58-I609 HydrophobicContact CG2-CD1 4.23Å; V58-I611 HydrophobicContact CG1-CD1 3.83Å |
| 59 | L | 98.1 | Very high | 82.9 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 128.2 | -173.3 | 179.3 | 66.3 | 0 | 0 | 0 | 111.3 | F57 P97 Y582 Y586 V607 I609 Y610 I611 | F57-L59 HydrophobicContact CD2-CB 4.34Å; F57-L59 HydrophobicContact CE2-CB 4.03Å; F57-L59 HydrophobicContact CE2-CD1 4.37Å; F57-L59 HydrophobicContact CZ-CD2 4.47Å; L59-P97 HydrophobicContact CD1-CG 3.85Å; L59-Y582 HydrophobicContact CD1-CE2 4.31Å; L59-Y582 HydrophobicContact CD2-CE2 4.35Å; L59-Y586 HydrophobicContact CD1-CD2 3.86Å; L59-Y586 HydrophobicContact CD1-CE2 3.6Å; L59-V607 HydrophobicContact CB-CG1 3.7Å; L59-V607 HydrophobicContact CD2-CG1 4.42Å; L59-V607 HydrophobicContact CD2-CG2 4.2Å; L59-I609 PolarHBondContact N-O 3.16Å; L59-Y610 HydrophobicContact CB-CD2 3.95Å; L59-Y610 HydrophobicContact CB-CE2 4.41Å; L59-Y610 HydrophobicContact CD2-CD2 3.75Å; L59-Y610 HydrophobicContact CD2-CE2 3.61Å; L59-Y610 HydrophobicContact CG-CD2 3.77Å; L59-Y610 HydrophobicContact CG-CE2 3.72Å; L59-Y610 CarbonylContact O-C 3.51Å; L59-Y610 VanDerWaalsContact O-CA 3.31Å; L59-Y610 WeakPolarHBondContact O-CA 3.16Å; L59-Y610 VanDerWaalsContact O-CD2 3.31Å; L59-Y610 WeakPolarHBondContact O-CD2 3.41Å; L59-I611 PolarHBondContact O-N 3.26Å |
| 60 | S | 97.3 | Very high | 84.8 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.007 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 150.8 | 166.8 | 56.9 | 0 | 0 | 0 | 0 | 111.6 | F62 Y77 M98 I611 | S60-F62 PolarHBondContact O-N 3.07Å; S60-F62 VanDerWaalsContact O-N 3.09Å; S60-Y77 WeakPolarHBondContact OG-CD1 3.47Å; S60-M98 WeakPolarHBondContact OG-CE 3.46Å; S60-I611 CarbonylContact C-O 3.49Å; S60-I611 WeakPolarHBondContact CA-O 3.36Å |
| 61 | M | 97.1 | Very high | 86.8 | Confident | 21 Ų | 21 | 37.5 Ų | 37.5 | 10% | 0.103 | 22% | 0.215 | C | C | . | . | P | Polyproline II helix | trans | -53.4 | 116.2 | 168 | -68.4 | -177.8 | -174.9 | 0 | 0 | 110.6 | Y77 Y610 I611 H616 L621 F646 | M61-Y77 WeakPolarHBondContact O-CE1 3.27Å; M61-Y77 PolarHBondContact O-OH 3.3Å; M61-Y610 HydrophobicContact CE-CE1 3.79Å; M61-Y610 HydrophobicContact CG-CE1 4.24Å; M61-Y610 HydrophobicContact CG-CE2 4.37Å; M61-Y610 WeakPolarHBondContact CG-OH 3.28Å; M61-I611 PolarHBondContact N-O 3.22Å; M61-H616 HydrophobicContact CE-CB 3.66Å; M61-H616 HydrophobicContact SD-CB 4.02Å; M61-H616 PolarHBondContact SD-CD2 3.46Å; M61-L621 HydrophobicContact CE-CD2 4.31Å; M61-L621 HydrophobicContact CE-CG 4.34Å; M61-F646 HydrophobicContact CE-CE2 3.98Å; M61-F646 HydrophobicContact CE-CZ 4.37Å |
| 62 | F | 96.7 | Very high | 88.8 | Confident | 16 Ų | 16 | 30.8 Ų | 30.8 | 7% | 0.07 | 18% | 0.177 | C | C | . | . | P | Polyproline II helix | trans | -64 | 148.7 | 176.7 | 66.2 | -9.7 | 0 | 0 | 0 | 111.9 | S60 M98 D101 T149 Y582 | S60-F62 PolarHBondContact O-N 3.07Å; S60-F62 VanDerWaalsContact O-N 3.09Å; F62-M98 HydrophobicContact CB-SD 4.35Å; F62-D101 HydrophobicContact CD1-CB 3.9Å; F62-D101 HydrophobicContact CE1-CB 3.42Å; F62-D101 VanDerWaalsContact CE1-CB 3.42Å; F62-D101 HydrophobicContact CE2-CB 4.12Å; F62-D101 HydrophobicContact CG-CB 4.42Å; F62-D101 HydrophobicContact CZ-CB 3.53Å; F62-T149 HydrophobicContact CE2-CG2 3.77Å; F62-T149 HydrophobicContact CZ-CG2 3.91Å; F62-Y582 HydrophobicContact CB-CE2 4.14Å; F62-Y582 HydrophobicContact CD1-CD2 4.13Å; F62-Y582 AromaticContact CD1-CE2 3.79Å; F62-Y582 HydrophobicContact CD1-CE2 3.79Å; F62-Y582 AromaticContact CD2-CD2 3.55Å; F62-Y582 HydrophobicContact CD2-CD2 3.55Å; F62-Y582 AromaticContact CD2-CE2 3.87Å; F62-Y582 HydrophobicContact CD2-CE2 3.87Å; F62-Y582 HydrophobicContact CD2-CG 4.31Å; F62-Y582 HydrophobicContact CE1-CD1 4.45Å; F62-Y582 HydrophobicContact CE1-CD2 4.18Å; F62-Y582 HydrophobicContact CE1-CE1 4.43Å; F62-Y582 HydrophobicContact CE1-CE2 4.16Å; F62-Y582 HydrophobicContact CE1-CG 4.31Å; F62-Y582 AromaticContact CE2-CD2 3.6Å; F62-Y582 HydrophobicContact CE2-CD2 3.6Å; F62-Y582 HydrophobicContact CE2-CE2 4.23Å; F62-Y582 AromaticContact CE2-CG 3.88Å; F62-Y582 HydrophobicContact CE2-CG 3.88Å; F62-Y582 AromaticContact CG-CD2 3.86Å; F62-Y582 HydrophobicContact CG-CD2 3.86Å; F62-Y582 AromaticContact CG-CE2 3.66Å; F62-Y582 HydrophobicContact CG-CE2 3.66Å; F62-Y582 HydrophobicContact CZ-CD1 4.35Å; F62-Y582 AromaticContact CZ-CD2 3.94Å; F62-Y582 HydrophobicContact CZ-CD2 3.94Å; F62-Y582 HydrophobicContact CZ-CE2 4.38Å; F62-Y582 AromaticContact CZ-CG 3.91Å; F62-Y582 HydrophobicContact CZ-CG 3.91Å |
| 63 | P | 94.8 | Very high | 90.3 | Very high | 4 Ų | 4 | 28.8 Ų | 28.8 | 3% | 0.026 | 15% | 0.145 | C | C | . | . | P | Polyproline II helix | trans | -85.9 | 155.1 | -173.5 | 31.8 | -33.5 | 0 | 0 | 0 | 113.2 | L69 Y77 G99 W100 D101 M129 M133 | P63-L69 HydrophobicContact CB-CD2 4.31Å; P63-Y77 VanDerWaalsContact CB-OH 3.24Å; P63-Y77 WeakPolarHBondContact CB-OH 3.46Å; P63-Y77 VanDerWaalsContact CD-OH 3.23Å; P63-Y77 WeakPolarHBondContact CD-OH 3.3Å; P63-Y77 WeakPolarHBondContact CG-OH 3.24Å; P63-G99 WeakPolarHBondContact CD-O 3.3Å; P63-W100 HydrophobicContact CG-CE3 3.9Å; P63-W100 HydrophobicContact CG-CZ3 3.85Å; P63-D101 PolarHBondContact O-N 3.2Å; P63-M129 HydrophobicContact CB-CE 3.43Å; P63-M129 VanDerWaalsContact CB-CE 3.43Å; P63-M129 HydrophobicContact CG-CE 3.43Å; P63-M129 VanDerWaalsContact CG-CE 3.43Å; P63-M133 HydrophobicContact CG-CE 3.86Å |
| 64 | Y | 91.8 | Very high | 91.7 | Very high | 57 Ų | 57 | 23.9 Ų | 23.9 | 22% | 0.224 | 12% | 0.124 | C | C | . | . | P | Polyproline II helix | trans | -74.4 | 124.8 | 163 | -60.4 | -75.5 | 0 | 0 | 0 | 110.4 | S66 D101 P106 | Y64-S66 PolarHBondContact O-N 3.22Å; Y64-S66 PolarHBondContact O-OG 2.48Å; Y64-D101 HydrophobicContact CD1-CB 3.79Å; Y64-D101 WeakPolarHBondContact CD1-O 3.25Å; Y64-D101 HydrophobicContact CE1-CB 3.91Å; Y64-D101 WeakPolarHBondContact CE1-OD2 3.42Å; Y64-P106 HydrophobicContact CD1-CB 4.38Å; Y64-P106 HydrophobicContact CD1-CG 4Å; Y64-P106 HydrophobicContact CE1-CG 4.3Å; Y64-P106 HydrophobicContact CG-CB 4.32Å; Y64-P106 HydrophobicContact CG-CG 4.22Å |
| 65 | P | 92.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.093 | C | C | . | . | trans | -79.1 | 62 | 178.7 | 34.7 | -34.3 | 0 | 0 | 0 | 112.5 | W100 D101 T122 N125 I126 M129 | P65-W100 HydrophobicContact CG-CB 4.42Å; P65-D101 WeakPolarHBondContact CD-O 3.44Å; P65-T122 HydrophobicContact CG-CG2 3.91Å; P65-N125 HydrophobicContact CB-CB 4.04Å; P65-N125 WeakPolarHBondContact O-CB 3.36Å; P65-N125 PolarHBondContact O-ND2 2.95Å; P65-I126 HydrophobicContact CB-CG1 3.76Å; P65-I126 HydrophobicContact CG-CG1 4.19Å; P65-M129 VanDerWaalsContact CA-SD 3.54Å; P65-M129 HydrophobicContact CB-SD 4Å | ||
| 66 | S | 80.3 | Confident | 93.1 | Very high | 33 Ų | 33 | 14.8 Ų | 14.8 | 23% | 0.231 | 8% | 0.084 | C | C | . | . | S | Bend | trans | -97.9 | 11.4 | -176.9 | 59.6 | 0 | 0 | 0 | 0 | 113.5 | Y64 K701 | Y64-S66 PolarHBondContact O-N 3.22Å; Y64-S66 PolarHBondContact O-OG 2.48Å; S66-K701 PolarHBondContact O-NZ 2.95Å; S66-K701 PolarHBondContact OG-NZ 2.86Å |
| 67 | G | 84.3 | Confident | 93.4 | Very high | 9 Ų | 9 | 14.9 Ų | 14.9 | 9% | 0.093 | 8% | 0.084 | C | C | . | . | S | Bend | trans | 140.8 | -147 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | N125 M129 | G67-N125 WeakPolarHBondContact CA-OD1 3.26Å; G67-N125 PolarHBondContact N-ND2 3.18Å; G67-N125 VanDerWaalsContact N-ND2 3.12Å; G67-M129 VanDerWaalsContact O-CG 3.24Å; G67-M129 WeakPolarHBondContact O-CG 2.98Å |
| 68 | S | 88.8 | Confident | 93.4 | Very high | 45 Ų | 45 | 14.8 Ų | 14.8 | 32% | 0.315 | 8% | 0.083 | S | C | . | . | trans | -79.2 | 160 | 178 | 58.8 | 0 | 0 | 0 | 0 | 114.2 | K701 | S68-K701 VanDerWaalsContact O-CE 3.3Å; S68-K701 WeakPolarHBondContact O-CE 3.46Å; S68-K701 PolarHBondContact O-NZ 3.32Å | ||
| 69 | L | 93.6 | Very high | 93.4 | Very high | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.005 | 9% | 0.085 | C | C | . | . | trans | -71.7 | 160.3 | 169 | -61.7 | 175.5 | 0 | 0 | 0 | 110.7 | P63 H73 Y77 M129 Q132 M133 M137 P709 | P63-L69 HydrophobicContact CB-CD2 4.31Å; L69-H73 HydrophobicContact CB-CB 4.12Å; L69-H73 HydrophobicContact CD2-CB 3.79Å; L69-H73 HydrophobicContact CG-CB 4.43Å; L69-Y77 HydrophobicContact CD2-CE2 4.24Å; L69-M129 HydrophobicContact CD1-CB 4.31Å; L69-M129 HydrophobicContact CD2-CE 3.46Å; L69-M129 VanDerWaalsContact CD2-CE 3.46Å; L69-M129 HydrophobicContact CD2-CG 4.27Å; L69-M129 HydrophobicContact CG-CB 4.13Å; L69-M129 HydrophobicContact CG-CE 4.25Å; L69-M129 HydrophobicContact CG-CG 4.01Å; L69-Q132 HydrophobicContact CD1-CB 4.09Å; L69-M133 HydrophobicContact CD1-CE 4.02Å; L69-M133 HydrophobicContact CD1-CG 3.79Å; L69-M137 HydrophobicContact CB-CE 4.07Å; L69-M137 HydrophobicContact CD1-CE 3.6Å; L69-M137 HydrophobicContact CD1-SD 4.45Å; L69-M137 HydrophobicContact CG-CE 4.47Å; L69-P709 HydrophobicContact CB-CG 4.49Å; L69-P709 WeakPolarHBondContact O-CD 3.34Å | ||
| 70 | H | 92.8 | Very high | 93.2 | Very high | 30 Ų | 30 | 15.2 Ų | 15.2 | 14% | 0.139 | 9% | 0.086 | C | C | . | . | trans | -134.2 | 172.6 | 177.6 | 57 | 55.4 | 0 | 0 | 0 | 110.2 | G72 H73 L74 M699 I707 | H70-G72 WeakPolarHBondContact ND1-CA 3.15Å; H70-G72 PolarHBondContact ND1-N 3.32Å; H70-G72 VanDerWaalsContact ND1-N 3.17Å; H70-G72 PolarHBondContact O-N 3.13Å; H70-H73 AromaticContact CD2-CE1 3.58Å; H70-H73 AromaticContact CD2-ND1 3.51Å; H70-H73 AromaticContact CE1-CE1 3.37Å; H70-H73 PolarHBondContact CE1-CE1 3.2Å; H70-H73 AromaticContact CE1-CG 4Å; H70-H73 AromaticContact CE1-ND1 3.16Å; H70-H73 PolarHBondContact CE1-ND1 3.27Å; H70-H73 AromaticContact CG-ND1 3.45Å; H70-H73 PolarHBondContact N-ND1 3.14Å; H70-H73 AromaticContact ND1-CE1 3.88Å; H70-H73 PolarHBondContact ND1-N 3.08Å; H70-H73 AromaticContact ND1-ND1 3.22Å; H70-H73 PolarHBondContact ND1-ND1 2.83Å; H70-H73 AromaticContact NE2-CE1 3.14Å; H70-H73 PolarHBondContact NE2-CE1 3.1Å; H70-H73 AromaticContact NE2-ND1 3.32Å; H70-H73 PolarHBondContact NE2-ND1 2.94Å; H70-H73 WeakPolarHBondContact O-CA 3.14Å; H70-H73 WeakPolarHBondContact O-CB 3.27Å; H70-H73 PolarHBondContact O-N 3.07Å; H70-L74 PolarHBondContact O-N 3.29Å; H70-M699 PolarHBondContact NE2-O 3.41Å; H70-I707 CarbonylContact C-O 3.55Å; H70-I707 WeakPolarHBondContact CA-O 3.44Å; H70-I707 WeakPolarHBondContact CB-O 3.2Å | ||
| 71 | M | 93.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -55.6 | -29.5 | -177.6 | -67.3 | -54.4 | -76.5 | 0 | 0 | 115.4 | H73 L74 R75 V652 M699 I707 P709 V712 I721 I725 W737 | M71-H73 PolarHBondContact O-N 2.99Å; M71-L74 HydrophobicContact CE-CD1 4.33Å; M71-L74 HydrophobicContact CE-CD2 4.05Å; M71-L74 PolarHBondContact O-N 2.62Å; M71-L74 HydrophobicContact SD-CB 4.35Å; M71-L74 HydrophobicContact SD-CD1 4.18Å; M71-R75 PolarHBondContact O-N 2.8Å; M71-V652 HydrophobicContact CB-CG1 4.17Å; M71-M699 HydrophobicContact CB-CE 4.35Å; M71-M699 HydrophobicContact CB-SD 3.81Å; M71-I707 HydrophobicContact CG-CB 4.07Å; M71-I707 HydrophobicContact CG-CG2 4.07Å; M71-I707 PolarHBondContact N-O 2.83Å; M71-I707 VanDerWaalsContact N-O 3.09Å; M71-P709 HydrophobicContact SD-CB 4.06Å; M71-P709 HydrophobicContact SD-CG 4.19Å; M71-V712 HydrophobicContact CE-CG2 4.07Å; M71-V712 HydrophobicContact CG-CG2 4.41Å; M71-V712 HydrophobicContact SD-CG2 3.54Å; M71-V712 VanDerWaalsContact SD-CG2 3.54Å; M71-I721 HydrophobicContact CE-CG2 3.6Å; M71-I725 HydrophobicContact CE-CD1 4.23Å; M71-W737 HydrophobicContact CE-CD2 4.37Å; M71-W737 HydrophobicContact CE-CE3 4.07Å; M71-W737 HydrophobicContact CE-CH2 3.29Å; M71-W737 HydrophobicContact CE-CZ2 3.59Å; M71-W737 HydrophobicContact CE-CZ3 3.54Å; M71-W737 HydrophobicContact CG-CD2 4.44Å |
| 72 | G | 92.3 | Very high | 93.1 | Very high | 13 Ų | 13 | 14.2 Ų | 14.2 | 13% | 0.134 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -56.6 | -43.8 | 168.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | H70 R75 V76 | H70-G72 WeakPolarHBondContact ND1-CA 3.15Å; H70-G72 PolarHBondContact ND1-N 3.32Å; H70-G72 VanDerWaalsContact ND1-N 3.17Å; H70-G72 PolarHBondContact O-N 3.13Å; G72-R75 PolarHBondContact O-N 2.98Å; G72-V76 PolarHBondContact O-N 3.39Å |
| 73 | H | 93.8 | Very high | 93 | Very high | 42 Ų | 42 | 13.5 Ų | 13.5 | 19% | 0.194 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -67.9 | -44.5 | 175.8 | -65.1 | 104.6 | 0 | 0 | 0 | 111.2 | L69 H70 M71 R75 V76 Y77 | L69-H73 HydrophobicContact CB-CB 4.12Å; L69-H73 HydrophobicContact CD2-CB 3.79Å; L69-H73 HydrophobicContact CG-CB 4.43Å; H70-H73 AromaticContact CD2-CE1 3.58Å; H70-H73 AromaticContact CD2-ND1 3.51Å; H70-H73 AromaticContact CE1-CE1 3.37Å; H70-H73 PolarHBondContact CE1-CE1 3.2Å; H70-H73 AromaticContact CE1-CG 4Å; H70-H73 AromaticContact CE1-ND1 3.16Å; H70-H73 PolarHBondContact CE1-ND1 3.27Å; H70-H73 AromaticContact CG-ND1 3.45Å; H70-H73 PolarHBondContact N-ND1 3.14Å; H70-H73 AromaticContact ND1-CE1 3.88Å; H70-H73 PolarHBondContact ND1-N 3.08Å; H70-H73 AromaticContact ND1-ND1 3.22Å; H70-H73 PolarHBondContact ND1-ND1 2.83Å; H70-H73 AromaticContact NE2-CE1 3.14Å; H70-H73 PolarHBondContact NE2-CE1 3.1Å; H70-H73 AromaticContact NE2-ND1 3.32Å; H70-H73 PolarHBondContact NE2-ND1 2.94Å; H70-H73 WeakPolarHBondContact O-CA 3.14Å; H70-H73 WeakPolarHBondContact O-CB 3.27Å; H70-H73 PolarHBondContact O-N 3.07Å; M71-H73 PolarHBondContact O-N 2.99Å; H73-R75 PolarHBondContact O-N 2.64Å; H73-V76 PolarHBondContact O-N 2.98Å; H73-Y77 HydrophobicContact CB-CD2 4.12Å; H73-Y77 HydrophobicContact CB-CE2 3.76Å; H73-Y77 WeakPolarHBondContact O-CD2 3.35Å; H73-Y77 PolarHBondContact O-N 3.02Å |
| 74 | L | 94.7 | Very high | 92.9 | Very high | 3 Ų | 3 | 13.5 Ų | 13.5 | 2% | 0.016 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -54.7 | -43.2 | 176.6 | -178.4 | 147.7 | 0 | 0 | 0 | 110.8 | H70 M71 T78 M137 P709 I721 I725 | H70-L74 PolarHBondContact O-N 3.29Å; M71-L74 HydrophobicContact CE-CD1 4.33Å; M71-L74 HydrophobicContact CE-CD2 4.05Å; M71-L74 PolarHBondContact O-N 2.62Å; M71-L74 HydrophobicContact SD-CB 4.35Å; M71-L74 HydrophobicContact SD-CD1 4.18Å; L74-T78 WeakPolarHBondContact O-CB 2.72Å; L74-T78 PolarHBondContact O-N 2.78Å; L74-T78 PolarHBondContact O-OG1 2.97Å; L74-M137 HydrophobicContact CB-CE 3.87Å; L74-M137 HydrophobicContact CB-SD 4.27Å; L74-M137 HydrophobicContact CD1-CE 4.48Å; L74-M137 HydrophobicContact CD1-CG 4.13Å; L74-M137 HydrophobicContact CG-CE 4.44Å; L74-M137 HydrophobicContact CG-CG 4.41Å; L74-M137 HydrophobicContact CG-SD 4.4Å; L74-P709 HydrophobicContact CB-CB 4.41Å; L74-P709 HydrophobicContact CB-CG 4.21Å; L74-P709 HydrophobicContact CD1-CB 3.73Å; L74-P709 HydrophobicContact CD1-CG 4.43Å; L74-I721 HydrophobicContact CD1-CG2 3.93Å; L74-I721 HydrophobicContact CD2-CG2 4.13Å; L74-I725 HydrophobicContact CD2-CB 4.03Å; L74-I725 HydrophobicContact CD2-CG1 4.12Å; L74-I725 HydrophobicContact CD2-CG2 3.68Å |
| 75 | R | 94.7 | Very high | 92.8 | Very high | 4 Ų | 4 | 11.7 Ų | 11.7 | 2% | 0.015 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -58.2 | -51.5 | 178.1 | -171.7 | 175.6 | -174.7 | -168.5 | 2.4 | 112.1 | M71 G72 H73 V79 V649 G650 V652 I725 G730 P731 R733 | M71-R75 PolarHBondContact O-N 2.8Å; G72-R75 PolarHBondContact O-N 2.98Å; H73-R75 PolarHBondContact O-N 2.64Å; R75-V79 WeakPolarHBondContact O-CG2 3.19Å; R75-V79 PolarHBondContact O-N 3.31Å; R75-V79 VanDerWaalsContact O-N 3.13Å; R75-V649 HydrophobicContact CG-CG1 3.87Å; R75-G650 PolarHBondContact NH1-O 3.33Å; R75-V652 HydrophobicContact CB-CG2 3.84Å; R75-V652 HydrophobicContact CG-CG2 4.34Å; R75-I725 HydrophobicContact CB-CD1 4.25Å; R75-I725 HydrophobicContact CB-CG1 3.62Å; R75-I725 HydrophobicContact CG-CG1 3.79Å; R75-G730 PolarHBondContact NH2-O 2.79Å; R75-G730 VanDerWaalsContact NH2-O 3.14Å; R75-P731 PolarHBondContact NH2-O 2.81Å; R75-R733 PolarHBondContact NH1-O 3.06Å; R75-R733 PolarHBondContact NH2-O 3.29Å |
| 76 | V | 95.2 | Very high | 92.7 | Very high | 25 Ų | 25 | 11.9 Ų | 11.9 | 15% | 0.152 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -61.3 | -49.1 | -178 | 174.5 | 0 | 0 | 0 | 0 | 110.7 | G72 H73 V79 S80 I611 V649 | G72-V76 PolarHBondContact O-N 3.39Å; H73-V76 PolarHBondContact O-N 2.98Å; V76-V79 PolarHBondContact O-N 3.03Å; V76-S80 PolarHBondContact O-N 3.02Å; V76-S80 VanDerWaalsContact O-N 3.14Å; V76-I611 HydrophobicContact CG1-CG2 4.25Å; V76-V649 HydrophobicContact CG2-CB 4.12Å; V76-V649 HydrophobicContact CG2-CG1 3.97Å |
| 77 | Y | 97 | Very high | 93 | Very high | 7 Ų | 7 | 11.5 Ų | 11.5 | 3% | 0.027 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -74 | -31.2 | -175.3 | -56.2 | -39.7 | 0 | 0 | 0 | 113.2 | S60 M61 P63 L69 H73 S80 D81 M98 M133 M137 L139 | S60-Y77 WeakPolarHBondContact OG-CD1 3.47Å; M61-Y77 WeakPolarHBondContact O-CE1 3.27Å; M61-Y77 PolarHBondContact O-OH 3.3Å; P63-Y77 VanDerWaalsContact CB-OH 3.24Å; P63-Y77 WeakPolarHBondContact CB-OH 3.46Å; P63-Y77 VanDerWaalsContact CD-OH 3.23Å; P63-Y77 WeakPolarHBondContact CD-OH 3.3Å; P63-Y77 WeakPolarHBondContact CG-OH 3.24Å; L69-Y77 HydrophobicContact CD2-CE2 4.24Å; H73-Y77 HydrophobicContact CB-CD2 4.12Å; H73-Y77 HydrophobicContact CB-CE2 3.76Å; H73-Y77 WeakPolarHBondContact O-CD2 3.35Å; H73-Y77 PolarHBondContact O-N 3.02Å; Y77-S80 PolarHBondContact O-N 3.01Å; Y77-D81 WeakPolarHBondContact O-CB 3.4Å; Y77-D81 PolarHBondContact O-N 2.97Å; Y77-M98 HydrophobicContact CD1-CE 3.85Å; Y77-M98 HydrophobicContact CE1-CE 3.94Å; Y77-M98 HydrophobicContact CE1-SD 4.39Å; Y77-M98 HydrophobicContact CG-CE 4.48Å; Y77-M133 HydrophobicContact CD2-CE 3.77Å; Y77-M133 HydrophobicContact CE2-CE 3.43Å; Y77-M133 VanDerWaalsContact CE2-CE 3.43Å; Y77-M137 HydrophobicContact CD2-SD 4.45Å; Y77-L139 HydrophobicContact CG-CD1 4.34Å |
| 78 | T | 95.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -64.4 | -41.8 | 171.4 | -54.6 | 0 | 0 | 0 | 0 | 110.6 | L74 S80 D81 V82 R722 L726 | L74-T78 WeakPolarHBondContact O-CB 2.72Å; L74-T78 PolarHBondContact O-N 2.78Å; L74-T78 PolarHBondContact O-OG1 2.97Å; T78-S80 VanDerWaalsContact C-N 3.33Å; T78-S80 PolarHBondContact O-N 3.09Å; T78-D81 PolarHBondContact O-N 3.27Å; T78-V82 HydrophobicContact CG2-CG2 4.22Å; T78-V82 WeakPolarHBondContact O-CB 3.44Å; T78-V82 WeakPolarHBondContact O-CG2 3.36Å; T78-V82 PolarHBondContact O-N 3.39Å; T78-R722 HydrophobicContact CG2-CB 3.96Å; T78-R722 HydrophobicContact CG2-CG 3.83Å; T78-L726 HydrophobicContact CG2-CD1 3.72Å; T78-L726 HydrophobicContact CG2-CG 4.26Å |
| 79 | V | 95.5 | Very high | 92.8 | Very high | 5 Ų | 5 | 11.7 Ų | 11.7 | 3% | 0.03 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -59.9 | -44.7 | 175.4 | 170.7 | 0 | 0 | 0 | 0 | 111 | R75 V76 V82 L83 I611 L647 L726 | R75-V79 WeakPolarHBondContact O-CG2 3.19Å; R75-V79 PolarHBondContact O-N 3.31Å; R75-V79 VanDerWaalsContact O-N 3.13Å; V76-V79 PolarHBondContact O-N 3.03Å; V79-V82 PolarHBondContact O-N 3.38Å; V79-L83 HydrophobicContact CG1-CD1 4.18Å; V79-L83 WeakPolarHBondContact O-CG 3.35Å; V79-L83 PolarHBondContact O-N 3.44Å; V79-L83 VanDerWaalsContact O-N 3.1Å; V79-I611 HydrophobicContact CG1-CG2 4.16Å; V79-L647 HydrophobicContact CG1-CD2 3.49Å; V79-L647 VanDerWaalsContact CG1-CD2 3.49Å; V79-L726 HydrophobicContact CG2-CD2 3.53Å |
| 80 | S | 95.6 | Very high | 92.1 | Very high | 3 Ų | 3 | 12.7 Ų | 12.7 | 2% | 0.021 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -60.5 | -47.8 | 176.8 | -165.5 | 0 | 0 | 0 | 0 | 112.2 | V76 Y77 T78 L83 A84 I611 | V76-S80 PolarHBondContact O-N 3.02Å; V76-S80 VanDerWaalsContact O-N 3.14Å; Y77-S80 PolarHBondContact O-N 3.01Å; T78-S80 VanDerWaalsContact C-N 3.33Å; T78-S80 PolarHBondContact O-N 3.09Å; S80-L83 PolarHBondContact O-N 3.44Å; S80-A84 WeakPolarHBondContact O-CB 3.34Å; S80-A84 PolarHBondContact O-N 2.98Å; S80-I611 VanDerWaalsContact CA-CD1 3.49Å |
| 81 | D | 95.5 | Very high | 91.4 | Very high | 2 Ų | 2 | 12.8 Ų | 12.8 | 1% | 0.011 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -63.7 | -42 | 179.4 | 176.7 | 76.7 | 0 | 0 | 0 | 112.3 | Y77 T78 L83 A84 R85 L139 A140 R722 | Y77-D81 WeakPolarHBondContact O-CB 3.4Å; Y77-D81 PolarHBondContact O-N 2.97Å; T78-D81 PolarHBondContact O-N 3.27Å; D81-L83 PolarHBondContact O-N 2.69Å; D81-A84 PolarHBondContact O-N 3.22Å; D81-R85 WeakPolarHBondContact O-CB 3.5Å; D81-R85 VanDerWaalsContact O-CG 3.25Å; D81-R85 WeakPolarHBondContact O-CG 3.24Å; D81-R85 PolarHBondContact O-N 2.94Å; D81-R85 IonicContact OD1-CZ 3.56Å; D81-R85 IonicContact OD1-NE 2.96Å; D81-R85 PolarHBondContact OD1-NE 2.96Å; D81-R85 IonicContact OD1-NH2 2.68Å; D81-R85 IonicContact OD2-CZ 2.75Å; D81-R85 IonicContact OD2-NE 3.78Å; D81-R85 PolarHBondContact OD2-NE 3.22Å; D81-L139 HydrophobicContact CB-CD2 3.75Å; D81-A140 WeakPolarHBondContact OD1-CB 3.35Å; D81-A140 PolarHBondContact OD1-N 2.74Å; D81-R722 IonicContact OD2-CZ 2.7Å; D81-R722 IonicContact OD2-NH1 3.59Å; D81-R722 PolarHBondContact OD2-NH1 3.33Å; D81-R722 IonicContact OD2-NH2 2.63Å; D81-R722 PolarHBondContact OD2-NH2 2.98Å |
| 82 | V | 95.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -58 | -49 | 175.1 | 168.4 | 0 | 0 | 0 | 0 | 111 | T78 V79 Y86 L726 Y806 I812 P856 I857 | T78-V82 HydrophobicContact CG2-CG2 4.22Å; T78-V82 WeakPolarHBondContact O-CB 3.44Å; T78-V82 WeakPolarHBondContact O-CG2 3.36Å; T78-V82 PolarHBondContact O-N 3.39Å; V79-V82 PolarHBondContact O-N 3.38Å; V82-Y86 WeakPolarHBondContact O-CB 3.46Å; V82-Y86 PolarHBondContact O-N 2.92Å; V82-L726 HydrophobicContact CG2-CD1 3.88Å; V82-Y806 HydrophobicContact CG1-CD1 4.42Å; V82-Y806 HydrophobicContact CG1-CE1 3.64Å; V82-I812 HydrophobicContact CG1-CD1 3.79Å; V82-I812 HydrophobicContact CG1-CG1 4.23Å; V82-I812 HydrophobicContact CG1-CG2 4.21Å; V82-P856 HydrophobicContact CG1-CB 4.1Å; V82-P856 WeakPolarHBondContact CG2-O 3.23Å; V82-P856 WeakPolarHBondContact O-CB 3.3Å; V82-I857 HydrophobicContact CG1-CG1 4.04Å; V82-I857 HydrophobicContact CG2-CG1 4.22Å |
| 83 | L | 94.7 | Very high | 90.7 | Very high | 1 Ų | 1 | 13.8 Ų | 13.8 | 1% | 0.005 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -67.4 | -38.9 | 179.9 | -66.6 | 175.9 | 0 | 0 | 0 | 111.4 | V58 V79 S80 D81 Y86 K87 I609 I611 L647 F810 I812 | V58-L83 HydrophobicContact CG1-CB 4.26Å; V79-L83 HydrophobicContact CG1-CD1 4.18Å; V79-L83 WeakPolarHBondContact O-CG 3.35Å; V79-L83 PolarHBondContact O-N 3.44Å; V79-L83 VanDerWaalsContact O-N 3.1Å; S80-L83 PolarHBondContact O-N 3.44Å; D81-L83 PolarHBondContact O-N 2.69Å; L83-Y86 PolarHBondContact O-N 3.2Å; L83-K87 WeakPolarHBondContact O-CB 3.45Å; L83-K87 VanDerWaalsContact O-CG 3.29Å; L83-K87 WeakPolarHBondContact O-CG 3.42Å; L83-K87 PolarHBondContact O-N 3.01Å; L83-I609 HydrophobicContact CD1-CD1 4.31Å; L83-I609 HydrophobicContact CD1-CG2 4.13Å; L83-I611 HydrophobicContact CD1-CD1 4.16Å; L83-L647 HydrophobicContact CD1-CD2 3.91Å; L83-F810 HydrophobicContact CD1-CB 4.27Å; L83-F810 HydrophobicContact CD1-CD1 4.09Å; L83-F810 HydrophobicContact CD1-CG 4.14Å; L83-F810 HydrophobicContact CD2-CB 4.37Å; L83-F810 HydrophobicContact CD2-CD1 3.65Å; L83-F810 HydrophobicContact CD2-CE1 4.31Å; L83-F810 HydrophobicContact CD2-CG 4.32Å; L83-I812 HydrophobicContact CD2-CD1 4.01Å |
| 84 | A | 92.8 | Very high | 90.4 | Very high | 3 Ų | 3 | 12.4 Ų | 12.4 | 3% | 0.025 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -65.5 | -43.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | V58 S80 D81 K87 T88 T94 C96 | V58-A84 HydrophobicContact CB-CB 4.39Å; S80-A84 WeakPolarHBondContact O-CB 3.34Å; S80-A84 PolarHBondContact O-N 2.98Å; D81-A84 PolarHBondContact O-N 3.22Å; A84-K87 PolarHBondContact O-N 3.12Å; A84-T88 WeakPolarHBondContact O-CB 3.43Å; A84-T88 PolarHBondContact O-N 3.37Å; A84-T88 PolarHBondContact O-OG1 2.92Å; A84-T94 HydrophobicContact CB-CG2 3.93Å; A84-C96 HydrophobicContact CB-CB 3.77Å |
| 85 | R | 90.2 | Very high | 90.3 | Very high | 20 Ų | 20 | 12.8 Ų | 12.8 | 8% | 0.075 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -61.6 | -46.2 | 173.7 | -73.2 | 175.9 | -176.5 | -72.1 | -4.1 | 111 | D42 D81 K87 T88 M89 S138 P856 | D42-R85 VanDerWaalsContact CG-NH1 3.27Å; D42-R85 IonicContact OD1-CZ 2.81Å; D42-R85 IonicContact OD1-NH1 3.53Å; D42-R85 PolarHBondContact OD1-NH1 3.17Å; D42-R85 IonicContact OD1-NH2 2.76Å; D42-R85 IonicContact OD2-CZ 3.65Å; D42-R85 VanDerWaalsContact OD2-CZ 3.28Å; D42-R85 IonicContact OD2-NH1 3.92Å; D42-R85 PolarHBondContact OD2-NH1 2.69Å; D42-R85 IonicContact OD2-NH2 2.71Å; D42-R85 PolarHBondContact OD2-NH2 2.84Å; D81-R85 WeakPolarHBondContact O-CB 3.5Å; D81-R85 VanDerWaalsContact O-CG 3.25Å; D81-R85 WeakPolarHBondContact O-CG 3.24Å; D81-R85 PolarHBondContact O-N 2.94Å; D81-R85 IonicContact OD1-CZ 3.56Å; D81-R85 IonicContact OD1-NE 2.96Å; D81-R85 PolarHBondContact OD1-NE 2.96Å; D81-R85 IonicContact OD1-NH2 2.68Å; D81-R85 IonicContact OD2-CZ 2.75Å; D81-R85 IonicContact OD2-NE 3.78Å; D81-R85 PolarHBondContact OD2-NE 3.22Å; R85-K87 PolarHBondContact O-N 2.83Å; R85-T88 PolarHBondContact O-N 2.98Å; R85-M89 VanDerWaalsContact O-CB 3.3Å; R85-M89 WeakPolarHBondContact O-CB 3.35Å; R85-M89 WeakPolarHBondContact O-CG 3.48Å; R85-M89 PolarHBondContact O-N 3.37Å; R85-S138 PolarHBondContact NH2-O 3.26Å; R85-P856 HydrophobicContact CB-CB 4.01Å |
| 86 | Y | 90.4 | Very high | 90.3 | Very high | 3 Ų | 3 | 13.1 Ų | 13.1 | 1% | 0.012 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -58.2 | -48.9 | 176.8 | 171.8 | -98.4 | 0 | 0 | 0 | 112 | V82 L83 T88 M89 S90 Y806 D807 Y912 | V82-Y86 WeakPolarHBondContact O-CB 3.46Å; V82-Y86 PolarHBondContact O-N 2.92Å; L83-Y86 PolarHBondContact O-N 3.2Å; Y86-T88 PolarHBondContact O-N 3.36Å; Y86-M89 WeakPolarHBondContact O-CB 3.17Å; Y86-M89 PolarHBondContact O-N 3.44Å; Y86-S90 PolarHBondContact O-N 3.2Å; Y86-S90 PolarHBondContact O-OG 3.2Å; Y86-Y806 HydrophobicContact CD1-CG 4.37Å; Y86-Y806 HydrophobicContact CD2-CD1 4.04Å; Y86-Y806 AromaticContact CD2-CD2 3.72Å; Y86-Y806 HydrophobicContact CD2-CD2 3.72Å; Y86-Y806 HydrophobicContact CD2-CE2 4.25Å; Y86-Y806 AromaticContact CD2-CG 3.58Å; Y86-Y806 HydrophobicContact CD2-CG 3.58Å; Y86-Y806 AromaticContact CE2-CD2 3.81Å; Y86-Y806 HydrophobicContact CE2-CD2 3.81Å; Y86-Y806 AromaticContact CE2-CG 3.8Å; Y86-Y806 HydrophobicContact CE2-CG 3.8Å; Y86-Y806 AromaticContact CG-CD1 3.97Å; Y86-Y806 HydrophobicContact CG-CD1 3.97Å; Y86-Y806 HydrophobicContact CG-CD2 4.45Å; Y86-Y806 AromaticContact CG-CG 3.88Å; Y86-Y806 HydrophobicContact CG-CG 3.88Å; Y86-Y806 VanDerWaalsContact CZ-CB 3.49Å; Y86-D807 HydrophobicContact CE1-CB 4.48Å; Y86-D807 VanDerWaalsContact CE1-OD1 3.3Å; Y86-D807 WeakPolarHBondContact CE1-OD1 3.03Å; Y86-D807 VanDerWaalsContact OH-CG 3.27Å; Y86-D807 PolarHBondContact OH-OD2 2.85Å; Y86-Y912 HydrophobicContact CE2-CE1 4.39Å |
| 87 | K | 87.4 | Confident | 90.3 | Very high | 25 Ų | 25 | 12 Ų | 12 | 11% | 0.109 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -62.2 | -43.3 | 179 | -72.9 | -65.6 | -172.2 | -174.3 | 0 | 112.8 | V58 L83 A84 R85 M89 S90 G91 E92 T94 D807 | V58-K87 HydrophobicContact CG2-CG 4.5Å; L83-K87 WeakPolarHBondContact O-CB 3.45Å; L83-K87 VanDerWaalsContact O-CG 3.29Å; L83-K87 WeakPolarHBondContact O-CG 3.42Å; L83-K87 PolarHBondContact O-N 3.01Å; A84-K87 PolarHBondContact O-N 3.12Å; R85-K87 PolarHBondContact O-N 2.83Å; K87-M89 VanDerWaalsContact C-N 3.34Å; K87-M89 PolarHBondContact O-N 3.49Å; K87-S90 PolarHBondContact O-N 2.92Å; K87-G91 PolarHBondContact O-N 3.23Å; K87-E92 WeakPolarHBondContact CD-OE1 3.28Å; K87-E92 IonicContact NZ-OE1 2.64Å; K87-E92 PolarHBondContact NZ-OE1 3.44Å; K87-E92 WeakPolarHBondContact O-CB 3.35Å; K87-E92 PolarHBondContact O-N 2.91Å; K87-E92 VanDerWaalsContact O-N 3.16Å; K87-T94 HydrophobicContact CB-CG2 4.28Å; K87-T94 WeakPolarHBondContact CB-OG1 3.45Å; K87-D807 IonicContact NZ-OD1 3.92Å; K87-D807 PolarHBondContact NZ-OD1 3.29Å |
| 88 | T | 85.3 | Confident | 90.3 | Very high | 34 Ų | 34 | 11.8 Ų | 11.8 | 21% | 0.209 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -60.5 | -45.9 | 175.2 | -58 | 0 | 0 | 0 | 0 | 111.3 | N45 A84 R85 Y86 G91 T94 | N45-T88 HydrophobicContact CB-CG2 3.74Å; A84-T88 WeakPolarHBondContact O-CB 3.43Å; A84-T88 PolarHBondContact O-N 3.37Å; A84-T88 PolarHBondContact O-OG1 2.92Å; R85-T88 PolarHBondContact O-N 2.98Å; Y86-T88 PolarHBondContact O-N 3.36Å; T88-G91 PolarHBondContact O-N 2.47Å; T88-G91 VanDerWaalsContact O-N 3.15Å; T88-T94 PolarHBondContact N-OG1 2.86Å; T88-T94 VanDerWaalsContact OG1-CB 3.3Å; T88-T94 WeakPolarHBondContact OG1-CB 3.49Å; T88-T94 PolarHBondContact OG1-OG1 3.18Å; T88-T94 VanDerWaalsContact OG1-OG1 3.12Å |
| 89 | M | 81.9 | Confident | 90.4 | Very high | 24 Ų | 24 | 11.8 Ų | 11.8 | 12% | 0.118 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -57.1 | -52.3 | 175.5 | -76.6 | 178.1 | 70.9 | 0 | 0 | 109.4 | R85 Y86 K87 G91 V852 T855 P856 Y917 P922 | R85-M89 VanDerWaalsContact O-CB 3.3Å; R85-M89 WeakPolarHBondContact O-CB 3.35Å; R85-M89 WeakPolarHBondContact O-CG 3.48Å; R85-M89 PolarHBondContact O-N 3.37Å; Y86-M89 WeakPolarHBondContact O-CB 3.17Å; Y86-M89 PolarHBondContact O-N 3.44Å; K87-M89 VanDerWaalsContact C-N 3.34Å; K87-M89 PolarHBondContact O-N 3.49Å; M89-G91 PolarHBondContact O-N 3.4Å; M89-V852 HydrophobicContact CE-CG1 3.54Å; M89-T855 HydrophobicContact CE-CG2 4.23Å; M89-T855 HydrophobicContact SD-CG2 4Å; M89-P856 HydrophobicContact SD-CG 3.86Å; M89-Y917 VanDerWaalsContact CA-OH 3.3Å; M89-Y917 WeakPolarHBondContact CA-OH 3.24Å; M89-Y917 VanDerWaalsContact CB-OH 3.24Å; M89-Y917 WeakPolarHBondContact CB-OH 3.44Å; M89-Y917 HydrophobicContact CE-CE2 4.02Å; M89-Y917 VanDerWaalsContact O-CE1 3.3Å; M89-Y917 WeakPolarHBondContact O-CE1 3.36Å; M89-Y917 VanDerWaalsContact O-CZ 3.32Å; M89-Y917 PolarHBondContact O-OH 3.21Å; M89-P922 HydrophobicContact CE-CB 4.15Å; M89-P922 HydrophobicContact CE-CG 4.37Å; M89-P922 HydrophobicContact CG-CB 4.24Å; M89-P922 HydrophobicContact SD-CB 4.46Å |
| 90 | S | 80.7 | Confident | 90.5 | Very high | 22 Ų | 22 | 11.6 Ų | 11.6 | 15% | 0.154 | 7% | 0.07 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | 2.1 | 178.4 | -61.9 | 0 | 0 | 0 | 0 | 115.8 | Y86 K87 Y917 | Y86-S90 PolarHBondContact O-N 3.2Å; Y86-S90 PolarHBondContact O-OG 3.2Å; K87-S90 PolarHBondContact O-N 2.92Å; S90-Y917 PolarHBondContact N-OH 2.9Å |
| 91 | G | 77.6 | Confident | 90.5 | Very high | 32 Ų | 32 | 11.6 Ų | 11.6 | 33% | 0.33 | 7% | 0.07 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 99.5 | 4.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | K53 K87 T88 M89 | K53-G91 WeakPolarHBondContact CD-O 3.38Å; K87-G91 PolarHBondContact O-N 3.23Å; T88-G91 PolarHBondContact O-N 2.47Å; T88-G91 VanDerWaalsContact O-N 3.15Å; M89-G91 PolarHBondContact O-N 3.4Å |
| 92 | E | 83.6 | Confident | 90.5 | Very high | 21 Ų | 21 | 11.5 Ų | 11.5 | 10% | 0.098 | 7% | 0.069 | C | C | . | . | trans | -83.4 | 148.8 | -179.6 | -53.2 | -169.8 | -136.3 | 0 | 0 | 111.6 | Q54 S56 K87 T94 | Q54-E92 HydrophobicContact CB-CG 4.46Å; Q54-E92 CarbonylContact O-C 3.49Å; Q54-E92 VanDerWaalsContact O-CA 3.26Å; Q54-E92 WeakPolarHBondContact O-CA 3.48Å; Q54-E92 WeakPolarHBondContact O-CB 3.29Å; S56-E92 VanDerWaalsContact CB-OE2 3.28Å; S56-E92 WeakPolarHBondContact CB-OE2 3.37Å; S56-E92 PolarHBondContact OG-OE2 2.89Å; K87-E92 WeakPolarHBondContact CD-OE1 3.28Å; K87-E92 IonicContact NZ-OE1 2.64Å; K87-E92 PolarHBondContact NZ-OE1 3.44Å; K87-E92 WeakPolarHBondContact O-CB 3.35Å; K87-E92 PolarHBondContact O-N 2.91Å; K87-E92 VanDerWaalsContact O-N 3.16Å; E92-T94 PolarHBondContact O-N 2.8Å | ||
| 93 | L | 86.3 | Confident | 90.5 | Very high | 14 Ų | 14 | 11.5 Ų | 11.5 | 7% | 0.073 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 100.5 | 168 | 179.1 | 66.1 | 0 | 0 | 0 | 108.4 | K53 Q54 K55 S56 | K53-L93 HydrophobicContact CB-CB 4.2Å; Q54-L93 PolarHBondContact O-N 3.32Å; K55-L93 WeakPolarHBondContact CA-O 3.47Å; K55-L93 HydrophobicContact CG-CB 4.35Å; K55-L93 HydrophobicContact CG-CD2 4.32Å; S56-L93 PolarHBondContact N-O 3.08Å |
| 94 | T | 88.6 | Confident | 90.1 | Very high | 13 Ų | 13 | 12 Ų | 12 | 8% | 0.08 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 126.2 | -171.6 | -52.4 | 0 | 0 | 0 | 0 | 112.2 | S56 V58 A84 K87 T88 E92 | S56-T94 CarbonylContact O-C 3.52Å; S56-T94 VanDerWaalsContact O-CA 3.28Å; S56-T94 WeakPolarHBondContact O-CA 3.43Å; V58-T94 HydrophobicContact CB-CG2 4.42Å; V58-T94 HydrophobicContact CG2-CG2 3.92Å; A84-T94 HydrophobicContact CB-CG2 3.93Å; K87-T94 HydrophobicContact CB-CG2 4.28Å; K87-T94 WeakPolarHBondContact CB-OG1 3.45Å; T88-T94 PolarHBondContact N-OG1 2.86Å; T88-T94 VanDerWaalsContact OG1-CB 3.3Å; T88-T94 WeakPolarHBondContact OG1-CB 3.49Å; T88-T94 PolarHBondContact OG1-OG1 3.18Å; T88-T94 VanDerWaalsContact OG1-OG1 3.12Å; E92-T94 PolarHBondContact O-N 2.8Å |
| 95 | I | 92.4 | Very high | 89.6 | Confident | 10 Ų | 10 | 12.7 Ų | 12.7 | 5% | 0.051 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 117 | 169.7 | -52.8 | 177.3 | 0 | 0 | 0 | 107.5 | S56 F57 V58 P97 L587 | S56-I95 PolarHBondContact O-N 3.32Å; F57-I95 HydrophobicContact CD2-CB 3.96Å; F57-I95 HydrophobicContact CD2-CG2 4Å; F57-I95 HydrophobicContact CE2-CB 4.45Å; F57-I95 HydrophobicContact CE2-CG2 3.97Å; F57-I95 HydrophobicContact CG-CB 4.4Å; V58-I95 PolarHBondContact N-O 2.95Å; V58-I95 VanDerWaalsContact O-O 3.08Å; I95-P97 HydrophobicContact CG2-CG 4.34Å; I95-L587 HydrophobicContact CD1-CD2 4Å |
| 96 | C | 94.3 | Very high | 89.2 | Confident | 11 Ų | 11 | 12.7 Ų | 12.7 | 7% | 0.074 | 8% | 0.081 | C | C | . | . | trans | -130.8 | 80.7 | 173.9 | -173.7 | 0 | 0 | 0 | 0 | 109.6 | V58 A84 D142 | V58-C96 WeakPolarHBondContact O-CA 3.44Å; A84-C96 HydrophobicContact CB-CB 3.77Å; C96-D142 PolarHBondContact O-N 3.2Å | ||
| 97 | P | 95.8 | Very high | 88.9 | Confident | 1 Ų | 1 | 12.7 Ų | 12.7 | 1% | 0.006 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 169.2 | -173.9 | 37.3 | -31.2 | 0 | 0 | 0 | 111.2 | F57 L59 I95 R145 Y586 | F57-P97 HydrophobicContact CE2-CG 3.73Å; F57-P97 HydrophobicContact CZ-CG 4.31Å; L59-P97 HydrophobicContact CD1-CG 3.85Å; I95-P97 HydrophobicContact CG2-CG 4.34Å; P97-R145 HydrophobicContact CB-CB 3.98Å; P97-Y586 HydrophobicContact CB-CD1 3.56Å; P97-Y586 HydrophobicContact CB-CD2 4.08Å; P97-Y586 HydrophobicContact CB-CE1 3.94Å; P97-Y586 HydrophobicContact CB-CE2 4.41Å; P97-Y586 HydrophobicContact CB-CG 3.66Å; P97-Y586 HydrophobicContact CG-CD1 3.96Å; P97-Y586 HydrophobicContact CG-CD2 3.51Å; P97-Y586 HydrophobicContact CG-CE1 4.37Å; P97-Y586 HydrophobicContact CG-CE2 3.96Å; P97-Y586 HydrophobicContact CG-CG 3.52Å |
| 98 | M | 97.1 | Very high | 89 | Confident | 4 Ų | 4 | 11.7 Ų | 11.7 | 2% | 0.02 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 157 | 170.9 | -167.7 | 55.3 | 62.3 | 0 | 0 | 110.3 | S60 F62 Y77 M133 V141 W143 E146 Y586 | S60-M98 WeakPolarHBondContact OG-CE 3.46Å; F62-M98 HydrophobicContact CB-SD 4.35Å; Y77-M98 HydrophobicContact CD1-CE 3.85Å; Y77-M98 HydrophobicContact CE1-CE 3.94Å; Y77-M98 HydrophobicContact CE1-SD 4.39Å; Y77-M98 HydrophobicContact CG-CE 4.48Å; M98-M133 HydrophobicContact CE-CE 4.27Å; M98-M133 HydrophobicContact CG-CE 3.97Å; M98-M133 HydrophobicContact CG-SD 3.74Å; M98-M133 HydrophobicContact SD-CE 3.88Å; M98-M133 HydrophobicContact SD-SD 4.43Å; M98-V141 HydrophobicContact CB-CG1 3.44Å; M98-V141 VanDerWaalsContact CB-CG1 3.44Å; M98-V141 HydrophobicContact CB-CG2 4.24Å; M98-W143 HydrophobicContact CB-CH2 4.23Å; M98-W143 HydrophobicContact CB-CZ3 4.2Å; M98-W143 HydrophobicContact CG-CH2 4.21Å; M98-W143 HydrophobicContact CG-CZ3 4.44Å; M98-E146 WeakPolarHBondContact O-CA 3.49Å; M98-Y586 VanDerWaalsContact C-OH 3.28Å; M98-Y586 WeakPolarHBondContact O-CE1 3.37Å |
| 99 | G | 97.2 | Very high | 89 | Confident | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164 | -162.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | P63 L147 Y586 | P63-G99 WeakPolarHBondContact CD-O 3.3Å; G99-L147 CarbonylContact C-O 3.47Å; G99-L147 WeakPolarHBondContact CA-O 3.22Å; G99-Y586 WeakPolarHBondContact CA-OH 3.37Å; G99-Y586 PolarHBondContact N-OH 2.94Å |
| 100 | W | 97.6 | Very high | 89 | Confident | 1 Ų | 1 | 9.4 Ų | 9.4 | 0% | 0.004 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 121.8 | -169.6 | -43.7 | 103.5 | 0 | 0 | 0 | 110.4 | P63 P65 S102 I126 M129 K130 M133 W143 E146 L147 T149 | P63-W100 HydrophobicContact CG-CE3 3.9Å; P63-W100 HydrophobicContact CG-CZ3 3.85Å; P65-W100 HydrophobicContact CG-CB 4.42Å; W100-S102 PolarHBondContact O-N 3.03Å; W100-S102 PolarHBondContact O-OG 3.21Å; W100-I126 HydrophobicContact CB-CD1 3.84Å; W100-I126 HydrophobicContact CB-CG1 3.96Å; W100-I126 HydrophobicContact CD2-CB 4.3Å; W100-I126 HydrophobicContact CD2-CD1 4.4Å; W100-I126 HydrophobicContact CD2-CG1 3.76Å; W100-I126 HydrophobicContact CD2-CG2 4.04Å; W100-I126 HydrophobicContact CE3-CG1 4.27Å; W100-I126 HydrophobicContact CG-CB 4.44Å; W100-I126 HydrophobicContact CG-CD1 3.69Å; W100-I126 HydrophobicContact CG-CG1 3.57Å; W100-I126 HydrophobicContact CG-CG2 4.21Å; W100-I126 HydrophobicContact CZ2-CG2 4.04Å; W100-M129 HydrophobicContact CE3-CE 4.27Å; W100-M129 HydrophobicContact CH2-CB 3.93Å; W100-M129 HydrophobicContact CZ3-CB 3.61Å; W100-M129 HydrophobicContact CZ3-CE 3.97Å; W100-M129 HydrophobicContact CZ3-SD 4.31Å; W100-K130 HydrophobicContact CH2-CB 3.94Å; W100-K130 HydrophobicContact CZ2-CB 3.77Å; W100-K130 HydrophobicContact CZ2-CD 4.41Å; W100-K130 HydrophobicContact CZ2-CG 4.33Å; W100-M133 HydrophobicContact CH2-CE 4.41Å; W100-M133 HydrophobicContact CH2-SD 3.85Å; W100-M133 HydrophobicContact CZ3-CE 4.27Å; W100-M133 HydrophobicContact CZ3-SD 4.3Å; W100-W143 HydrophobicContact CH2-CH2 4.18Å; W100-W143 AromaticContact CZ2-CH2 3.81Å; W100-W143 HydrophobicContact CZ2-CH2 3.81Å; W100-W143 AromaticContact CZ2-CZ3 3.76Å; W100-W143 HydrophobicContact CZ2-CZ3 3.76Å; W100-E146 PolarHBondContact NE1-OE1 3.24Å; W100-L147 PolarHBondContact N-O 3.21Å; W100-T149 PolarHBondContact O-N 3.34Å; W100-T149 VanDerWaalsContact O-N 3.07Å |
| 101 | D | 96.3 | Very high | 89.3 | Confident | 2 Ų | 2 | 8.4 Ų | 8.4 | 1% | 0.011 | 6% | 0.058 | C | C | . | . | trans | -80.9 | 78.2 | 170.1 | -159.1 | -4.2 | 0 | 0 | 0 | 109 | F62 P63 Y64 P65 T149 T575 | F62-D101 HydrophobicContact CD1-CB 3.9Å; F62-D101 HydrophobicContact CE1-CB 3.42Å; F62-D101 VanDerWaalsContact CE1-CB 3.42Å; F62-D101 HydrophobicContact CE2-CB 4.12Å; F62-D101 HydrophobicContact CG-CB 4.42Å; F62-D101 HydrophobicContact CZ-CB 3.53Å; P63-D101 PolarHBondContact O-N 3.2Å; Y64-D101 HydrophobicContact CD1-CB 3.79Å; Y64-D101 WeakPolarHBondContact CD1-O 3.25Å; Y64-D101 HydrophobicContact CE1-CB 3.91Å; Y64-D101 WeakPolarHBondContact CE1-OD2 3.42Å; P65-D101 WeakPolarHBondContact CD-O 3.44Å; D101-T149 PolarHBondContact OD1-OG1 3.5Å; D101-T575 PolarHBondContact OD1-OG1 3.15Å | ||
| 102 | S | 95.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 5% | 0.048 | C | C | . | . | trans | -95.9 | -10.4 | -159 | 51.5 | 0 | 0 | 0 | 0 | 115.5 | W100 S148 T149 C150 W508 | W100-S102 PolarHBondContact O-N 3.03Å; W100-S102 PolarHBondContact O-OG 3.21Å; S102-S148 WeakPolarHBondContact CB-OG 3.34Å; S102-S148 PolarHBondContact OG-OG 3.47Å; S102-T149 PolarHBondContact N-OG1 2.96Å; S102-T149 PolarHBondContact OG-N 3.08Å; S102-T149 PolarHBondContact OG-OG1 3.34Å; S102-C150 WeakPolarHBondContact OG-CB 3.49Å; S102-C150 PolarHBondContact OG-N 2.98Å; S102-C150 PolarHBondContact OG-SG 3.43Å; S102-C150 VanDerWaalsContact OG-SG 3.35Å; S102-W508 PolarHBondContact O-NE1 3.15Å | ||
| 103 | F | 94.4 | Very high | 90 | Very high | 1 Ų | 1 | 11.7 Ų | 11.7 | 0% | 0.004 | 7% | 0.068 | C | C | . | . | S | Bend | trans | -86.6 | 174 | 167.2 | -86.5 | -38.4 | 0 | 0 | 0 | 112.9 | T149 C150 Y155 W508 T510 L534 T575 | F103-T149 WeakPolarHBondContact CD2-O 3.28Å; F103-T149 WeakPolarHBondContact CE2-O 3.21Å; F103-T149 PolarHBondContact N-OG1 3.27Å; F103-C150 HydrophobicContact CD1-CB 3.65Å; F103-C150 HydrophobicContact CD2-CB 4.2Å; F103-C150 HydrophobicContact CE1-CB 3.57Å; F103-C150 HydrophobicContact CE2-CB 4.17Å; F103-C150 HydrophobicContact CG-CB 3.96Å; F103-C150 HydrophobicContact CZ-CB 3.85Å; F103-Y155 AromaticContact CE2-CD1 3.58Å; F103-Y155 HydrophobicContact CE2-CD1 3.58Å; F103-Y155 HydrophobicContact CE2-CE1 4.19Å; F103-Y155 HydrophobicContact CE2-CG 4.06Å; F103-Y155 AromaticContact CZ-CD1 3.89Å; F103-Y155 HydrophobicContact CZ-CD1 3.89Å; F103-Y155 HydrophobicContact CZ-CE1 4.03Å; F103-W508 AromaticContact CD1-CD1 3.93Å; F103-W508 AromaticContact CD1-CD2 3.94Å; F103-W508 HydrophobicContact CD1-CD2 3.94Å; F103-W508 AromaticContact CD1-CE2 3.85Å; F103-W508 HydrophobicContact CD1-CG 4Å; F103-W508 HydrophobicContact CD1-CZ2 4.38Å; F103-W508 AromaticContact CD1-NE1 3.84Å; F103-W508 HydrophobicContact CE1-CD2 4.03Å; F103-W508 HydrophobicContact CE1-CE3 4.19Å; F103-W508 HydrophobicContact CE1-CG 4.48Å; F103-W508 HydrophobicContact CE1-CH2 4.44Å; F103-W508 HydrophobicContact CE1-CZ2 4.32Å; F103-W508 HydrophobicContact CE1-CZ3 4.4Å; F103-T510 WeakPolarHBondContact CE2-OG1 3.34Å; F103-L534 HydrophobicContact CE1-CD1 3.7Å; F103-L534 HydrophobicContact CZ-CD1 3.79Å; F103-T575 PolarHBondContact O-OG1 3.17Å |
| 104 | G | 87.7 | Confident | 90 | Very high | 11 Ų | 11 | 17.4 Ų | 17.4 | 11% | 0.113 | 9% | 0.089 | C | C | . | . | S | Bend | trans | 93.4 | 179.7 | 168.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | A107 E108 W508 | G104-A107 PolarHBondContact O-N 2.91Å; G104-E108 PolarHBondContact O-N 2.92Å; G104-W508 PolarHBondContact N-O 3.18Å |
| 105 | L | 81.7 | Confident | 90.1 | Very high | 17 Ų | 17 | 22.1 Ų | 22.1 | 9% | 0.089 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -53 | -40.1 | -175 | -64.5 | 176.9 | 0 | 0 | 0 | 114.8 | A107 N109 T186 L188 R506 | L105-A107 PolarHBondContact O-N 3.28Å; L105-N109 VanDerWaalsContact O-CB 3.29Å; L105-N109 WeakPolarHBondContact O-CB 2.91Å; L105-N109 PolarHBondContact O-N 2.69Å; L105-N109 VanDerWaalsContact O-N 3.07Å; L105-N109 PolarHBondContact O-ND2 2.71Å; L105-T186 HydrophobicContact CD1-CG2 4.05Å; L105-T186 HydrophobicContact CD2-CG2 3.93Å; L105-L188 HydrophobicContact CD1-CD2 4.02Å; L105-R506 HydrophobicContact CD2-CG 4.36Å |
| 106 | P | 81.4 | Confident | 90 | Very high | 21 Ų | 21 | 24.6 Ų | 24.6 | 14% | 0.136 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -62.5 | -43.5 | -177.2 | -24.9 | 36.3 | 0 | 0 | 0 | 113.1 | Y64 A110 | Y64-P106 HydrophobicContact CD1-CB 4.38Å; Y64-P106 HydrophobicContact CD1-CG 4Å; Y64-P106 HydrophobicContact CE1-CG 4.3Å; Y64-P106 HydrophobicContact CG-CB 4.32Å; Y64-P106 HydrophobicContact CG-CG 4.22Å; P106-A110 VanDerWaalsContact O-CB 3.24Å; P106-A110 WeakPolarHBondContact O-CB 3.25Å; P106-A110 PolarHBondContact O-N 3.47Å |
| 107 | A | 84.8 | Confident | 89.9 | Confident | 2 Ų | 2 | 26.4 Ų | 26.4 | 2% | 0.017 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -74.7 | -46.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | G104 L105 A110 A111 | G104-A107 PolarHBondContact O-N 2.91Å; L105-A107 PolarHBondContact O-N 3.28Å; A107-A110 PolarHBondContact O-N 2.9Å; A107-A111 PolarHBondContact O-N 3.19Å; A107-A111 VanDerWaalsContact O-N 3.12Å |
| 108 | E | 88.7 | Confident | 89.7 | Confident | 4 Ų | 4 | 26.4 Ų | 26.4 | 2% | 0.019 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -65.4 | -48.3 | -176.2 | -164.6 | 180 | -133.6 | 0 | 0 | 112.4 | G104 A110 A111 I112 P118 R506 Y507 W508 L541 | G104-E108 PolarHBondContact O-N 2.92Å; E108-A110 VanDerWaalsContact C-N 3.31Å; E108-A110 PolarHBondContact O-N 3.01Å; E108-A111 WeakPolarHBondContact O-CB 3.48Å; E108-A111 PolarHBondContact O-N 3.3Å; E108-A111 VanDerWaalsContact O-N 3.15Å; E108-I112 HydrophobicContact CG-CD1 4.05Å; E108-I112 WeakPolarHBondContact O-CG1 3.17Å; E108-I112 PolarHBondContact O-N 3.12Å; E108-P118 HydrophobicContact CG-CG 4.16Å; E108-R506 IonicContact OE2-CZ 3.58Å; E108-R506 IonicContact OE2-NE 2.93Å; E108-R506 PolarHBondContact OE2-NE 2.77Å; E108-R506 IonicContact OE2-NH2 3.84Å; E108-R506 PolarHBondContact OE2-NH2 3.24Å; E108-Y507 PolarHBondContact OE1-N 3.04Å; E108-W508 HydrophobicContact CB-CB 3.73Å; E108-W508 HydrophobicContact CB-CG 4.26Å; E108-W508 HydrophobicContact CG-CB 3.66Å; E108-W508 VanDerWaalsContact OE1-CB 3.3Å; E108-W508 WeakPolarHBondContact OE1-CB 3.48Å; E108-W508 PolarHBondContact OE1-N 2.69Å; E108-L541 HydrophobicContact CG-CD1 4.39Å |
| 109 | N | 84.7 | Confident | 89.6 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -66.7 | -36.3 | -179.1 | -68.3 | -58 | 0 | 0 | 0 | 111.9 | L105 A111 I112 D113 R201 R506 | L105-N109 VanDerWaalsContact O-CB 3.29Å; L105-N109 WeakPolarHBondContact O-CB 2.91Å; L105-N109 PolarHBondContact O-N 2.69Å; L105-N109 VanDerWaalsContact O-N 3.07Å; L105-N109 PolarHBondContact O-ND2 2.71Å; N109-A111 PolarHBondContact O-N 3.28Å; N109-I112 PolarHBondContact O-N 3.12Å; N109-D113 WeakPolarHBondContact O-CB 3.38Å; N109-D113 PolarHBondContact O-N 3.42Å; N109-R201 VanDerWaalsContact CG-CZ 3.46Å; N109-R201 PolarHBondContact ND2-NH1 3.35Å; N109-R201 PolarHBondContact ND2-NH2 3.35Å; N109-R506 VanDerWaalsContact CG-NH2 3.28Å; N109-R506 PolarHBondContact ND2-NH2 3Å; N109-R506 PolarHBondContact OD1-NH2 2.84Å |
| 110 | A | 82.3 | Confident | 89.4 | Confident | 11 Ų | 11 | 33.1 Ų | 33.1 | 9% | 0.091 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.8 | -31.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | P106 A107 E108 R114 W121 | P106-A110 VanDerWaalsContact O-CB 3.24Å; P106-A110 WeakPolarHBondContact O-CB 3.25Å; P106-A110 PolarHBondContact O-N 3.47Å; A107-A110 PolarHBondContact O-N 2.9Å; E108-A110 VanDerWaalsContact C-N 3.31Å; E108-A110 PolarHBondContact O-N 3.01Å; A110-R114 PolarHBondContact O-NH1 3.27Å; A110-W121 HydrophobicContact CB-CZ2 3.91Å |
| 111 | A | 87.9 | Confident | 89.1 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -73.2 | -44.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | A107 E108 N109 D113 R114 N115 E116 P118 W121 | A107-A111 PolarHBondContact O-N 3.19Å; A107-A111 VanDerWaalsContact O-N 3.12Å; E108-A111 WeakPolarHBondContact O-CB 3.48Å; E108-A111 PolarHBondContact O-N 3.3Å; E108-A111 VanDerWaalsContact O-N 3.15Å; N109-A111 PolarHBondContact O-N 3.28Å; A111-D113 PolarHBondContact O-N 3.13Å; A111-R114 CarbonylContact O-C 3.58Å; A111-R114 PolarHBondContact O-N 3.28Å; A111-R114 VanDerWaalsContact O-N 3.08Å; A111-N115 PolarHBondContact O-N 2.76Å; A111-E116 PolarHBondContact O-N 2.59Å; A111-P118 HydrophobicContact CB-CB 4.26Å; A111-P118 HydrophobicContact CB-CG 4.13Å; A111-W121 HydrophobicContact CB-CB 3.75Å; A111-W121 HydrophobicContact CB-CG 3.8Å |
| 112 | I | 89.5 | Confident | 89.1 | Confident | 24 Ų | 24 | 33.7 Ų | 33.7 | 12% | 0.123 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -57.2 | -48.3 | 175.8 | -68.3 | 165.8 | 0 | 0 | 0 | 111 | E108 N109 R114 N115 L541 R543 | E108-I112 HydrophobicContact CG-CD1 4.05Å; E108-I112 WeakPolarHBondContact O-CG1 3.17Å; E108-I112 PolarHBondContact O-N 3.12Å; N109-I112 PolarHBondContact O-N 3.12Å; I112-R114 PolarHBondContact O-N 2.64Å; I112-N115 PolarHBondContact O-N 2.9Å; I112-L541 HydrophobicContact CD1-CB 4.3Å; I112-L541 HydrophobicContact CG1-CB 3.85Å; I112-R543 HydrophobicContact CD1-CG 4.45Å; I112-R543 HydrophobicContact CG2-CG 3.99Å |
| 113 | D | 85.1 | Confident | 89 | Confident | 98 Ų | 98 | 40.7 Ų | 40.7 | 52% | 0.524 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -15.7 | -179.3 | -64.6 | -19.7 | 0 | 0 | 0 | 112.7 | N109 A111 R543 | N109-D113 WeakPolarHBondContact O-CB 3.38Å; N109-D113 PolarHBondContact O-N 3.42Å; A111-D113 PolarHBondContact O-N 3.13Å; D113-R543 IonicContact OD1-CZ 2.81Å; D113-R543 IonicContact OD1-NE 3.84Å; D113-R543 PolarHBondContact OD1-NE 2.97Å; D113-R543 IonicContact OD1-NH2 3.73Å; D113-R543 PolarHBondContact OD1-NH2 2.86Å; D113-R543 IonicContact OD2-NH2 3.8Å; D113-R543 PolarHBondContact OD2-NH2 3.35Å |
| 114 | R | 87.2 | Confident | 89.1 | Confident | 134 Ų | 134 | 45.9 Ų | 45.9 | 51% | 0.506 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.8 | 4.4 | 178.3 | -71 | 172.1 | -179.7 | 72.7 | 5.8 | 113.7 | A110 A111 I112 E116 | A110-R114 PolarHBondContact O-NH1 3.27Å; A111-R114 CarbonylContact O-C 3.58Å; A111-R114 PolarHBondContact O-N 3.28Å; A111-R114 VanDerWaalsContact O-N 3.08Å; I112-R114 PolarHBondContact O-N 2.64Å; R114-E116 HydrophobicContact CB-CG 4.37Å; R114-E116 PolarHBondContact O-N 2.82Å |
| 115 | N | 90.1 | Very high | 89.4 | Confident | 112 Ų | 112 | 45.8 Ų | 45.8 | 60% | 0.599 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | 37.3 | -174.7 | -164.5 | 43.8 | 0 | 0 | 0 | 112.6 | A111 I112 S540 | A111-N115 PolarHBondContact O-N 2.76Å; I112-N115 PolarHBondContact O-N 2.9Å; N115-S540 WeakPolarHBondContact OD1-CB 3.49Å; N115-S540 PolarHBondContact OD1-OG 3.43Å |
| 116 | E | 90.6 | Very high | 90.2 | Very high | 63 Ų | 63 | 45.9 Ų | 45.9 | 29% | 0.294 | 22% | 0.218 | S | C | . | . | trans | -107.3 | 156.5 | 176.9 | -75.5 | -165.2 | -161.6 | 0 | 0 | 111.6 | A111 R114 W121 K124 | A111-E116 PolarHBondContact O-N 2.59Å; R114-E116 HydrophobicContact CB-CG 4.37Å; R114-E116 PolarHBondContact O-N 2.82Å; E116-W121 HydrophobicContact CB-CB 4.48Å; E116-K124 IonicContact OE1-NZ 3.03Å | ||
| 117 | N | 92 | Very high | 90.9 | Very high | 49 Ų | 49 | 50.7 Ų | 50.7 | 26% | 0.262 | 24% | 0.242 | S | C | . | . | trans | -69.6 | 130.5 | 171.1 | -178.7 | -65.9 | 0 | 0 | 0 | 110.3 | L119 N120 W121 | N117-L119 VanDerWaalsContact C-N 3.3Å; N117-L119 PolarHBondContact O-N 3.16Å; N117-L119 VanDerWaalsContact OD1-CB 3.26Å; N117-L119 WeakPolarHBondContact OD1-CB 3.42Å; N117-L119 PolarHBondContact OD1-N 3.48Å; N117-N120 HydrophobicContact CB-CB 4.29Å; N117-N120 PolarHBondContact O-N 2.73Å; N117-N120 VanDerWaalsContact O-N 3.09Å; N117-W121 WeakPolarHBondContact O-CB 3.46Å; N117-W121 PolarHBondContact O-N 3.48Å | ||
| 118 | P | 93 | Very high | 91.4 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -56 | -36.2 | -178.4 | -27.7 | 34.5 | 0 | 0 | 0 | 115.1 | E108 A111 T122 W508 L537 L541 | E108-P118 HydrophobicContact CG-CG 4.16Å; A111-P118 HydrophobicContact CB-CB 4.26Å; A111-P118 HydrophobicContact CB-CG 4.13Å; P118-T122 WeakPolarHBondContact O-CB 3.45Å; P118-T122 PolarHBondContact O-N 2.91Å; P118-T122 PolarHBondContact O-OG1 3.4Å; P118-W508 HydrophobicContact CB-CB 4.35Å; P118-W508 HydrophobicContact CB-CD2 3.49Å; P118-W508 VanDerWaalsContact CB-CD2 3.49Å; P118-W508 HydrophobicContact CB-CE3 3.71Å; P118-W508 HydrophobicContact CB-CG 3.79Å; P118-W508 HydrophobicContact CB-CZ2 4.42Å; P118-W508 HydrophobicContact CB-CZ3 4.27Å; P118-W508 HydrophobicContact CG-CD2 4.49Å; P118-W508 HydrophobicContact CG-CE3 4.5Å; P118-L537 HydrophobicContact CG-CD1 4.5Å; P118-L541 HydrophobicContact CG-CD1 3.69Å |
| 119 | L | 93.3 | Very high | 91.8 | Very high | 51 Ų | 51 | 53.4 Ų | 53.4 | 27% | 0.267 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -64.5 | -45.5 | 177 | 178.6 | 64.3 | 0 | 0 | 0 | 111.1 | N117 R123 W508 | N117-L119 VanDerWaalsContact C-N 3.3Å; N117-L119 PolarHBondContact O-N 3.16Å; N117-L119 VanDerWaalsContact OD1-CB 3.26Å; N117-L119 WeakPolarHBondContact OD1-CB 3.42Å; N117-L119 PolarHBondContact OD1-N 3.48Å; L119-R123 HydrophobicContact CD1-CG 4.42Å; L119-R123 WeakPolarHBondContact O-CB 3.38Å; L119-R123 VanDerWaalsContact O-CG 3.31Å; L119-R123 WeakPolarHBondContact O-CG 3.43Å; L119-R123 PolarHBondContact O-N 3.37Å; L119-W508 HydrophobicContact CB-CH2 3.49Å; L119-W508 VanDerWaalsContact CB-CH2 3.49Å; L119-W508 HydrophobicContact CB-CZ2 4.36Å; L119-W508 HydrophobicContact CB-CZ3 3.93Å; L119-W508 HydrophobicContact CD1-CH2 3.7Å; L119-W508 HydrophobicContact CD1-CZ2 4.43Å; L119-W508 HydrophobicContact CG-CH2 4.17Å |
| 120 | N | 93.5 | Very high | 92.3 | Very high | 94 Ų | 94 | 55.9 Ų | 55.9 | 50% | 0.503 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -68.4 | -45.2 | -179.3 | -68.1 | -15.1 | 0 | 0 | 0 | 110.9 | N117 T122 R123 K124 | N117-N120 HydrophobicContact CB-CB 4.29Å; N117-N120 PolarHBondContact O-N 2.73Å; N117-N120 VanDerWaalsContact O-N 3.09Å; N120-T122 PolarHBondContact O-N 3.15Å; N120-R123 PolarHBondContact O-N 3.26Å; N120-K124 WeakPolarHBondContact O-CB 3.46Å; N120-K124 PolarHBondContact O-N 3.3Å |
| 121 | W | 92.5 | Very high | 92.9 | Very high | 15 Ų | 15 | 61.1 Ų | 61.1 | 6% | 0.057 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -56.8 | -48.9 | 175.2 | 174.2 | -105.3 | 0 | 0 | 0 | 111.7 | A110 A111 E116 N117 K124 N125 | A110-W121 HydrophobicContact CB-CZ2 3.91Å; A111-W121 HydrophobicContact CB-CB 3.75Å; A111-W121 HydrophobicContact CB-CG 3.8Å; E116-W121 HydrophobicContact CB-CB 4.48Å; N117-W121 WeakPolarHBondContact O-CB 3.46Å; N117-W121 PolarHBondContact O-N 3.48Å; W121-K124 PolarHBondContact O-N 3.03Å; W121-N125 WeakPolarHBondContact CZ2-ND2 3.46Å; W121-N125 PolarHBondContact NE1-ND2 3.24Å; W121-N125 VanDerWaalsContact O-CG 3.26Å; W121-N125 PolarHBondContact O-N 3.37Å; W121-N125 PolarHBondContact O-ND2 2.6Å |
| 122 | T | 94.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.9 | -50.8 | 178.2 | -65.3 | 0 | 0 | 0 | 0 | 111.4 | P65 P118 N120 K124 N125 I126 W508 | P65-T122 HydrophobicContact CG-CG2 3.91Å; P118-T122 WeakPolarHBondContact O-CB 3.45Å; P118-T122 PolarHBondContact O-N 2.91Å; P118-T122 PolarHBondContact O-OG1 3.4Å; N120-T122 PolarHBondContact O-N 3.15Å; T122-K124 VanDerWaalsContact C-N 3.34Å; T122-K124 PolarHBondContact O-N 2.92Å; T122-N125 PolarHBondContact O-N 3.27Å; T122-I126 HydrophobicContact CG2-CD1 3.93Å; T122-I126 WeakPolarHBondContact O-CG1 3.3Å; T122-I126 PolarHBondContact O-N 2.87Å; T122-W508 HydrophobicContact CG2-CZ2 4.48Å |
| 123 | R | 95.3 | Very high | 93.6 | Very high | 147 Ų | 147 | 60.4 Ų | 60.4 | 56% | 0.555 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -59.9 | -42.9 | 179.1 | -77.2 | 176 | 172.7 | 167 | -0.8 | 112.2 | L119 N120 I126 L127 | L119-R123 HydrophobicContact CD1-CG 4.42Å; L119-R123 WeakPolarHBondContact O-CB 3.38Å; L119-R123 VanDerWaalsContact O-CG 3.31Å; L119-R123 WeakPolarHBondContact O-CG 3.43Å; L119-R123 PolarHBondContact O-N 3.37Å; N120-R123 PolarHBondContact O-N 3.26Å; R123-I126 PolarHBondContact O-N 3.17Å; R123-L127 WeakPolarHBondContact O-CG 3.24Å; R123-L127 PolarHBondContact O-N 3.21Å; R123-L127 VanDerWaalsContact O-N 3.12Å |
| 124 | K | 95.6 | Very high | 93.9 | Very high | 111 Ų | 111 | 57.9 Ų | 57.9 | 48% | 0.483 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60 | -47.4 | 176.3 | -178.7 | -178 | 178 | -178.9 | 0 | 111.3 | E116 N120 W121 T122 L127 T128 | E116-K124 IonicContact OE1-NZ 3.03Å; N120-K124 WeakPolarHBondContact O-CB 3.46Å; N120-K124 PolarHBondContact O-N 3.3Å; W121-K124 PolarHBondContact O-N 3.03Å; T122-K124 VanDerWaalsContact C-N 3.34Å; T122-K124 PolarHBondContact O-N 2.92Å; K124-L127 PolarHBondContact O-N 3.4Å; K124-T128 PolarHBondContact O-N 3.38Å; K124-T128 PolarHBondContact O-OG1 2.88Å |
| 125 | N | 94.8 | Very high | 94 | Very high | 8 Ų | 8 | 56.8 Ų | 56.8 | 4% | 0.043 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.9 | -39.3 | 179.9 | -68.3 | -24 | 0 | 0 | 0 | 112.7 | P65 G67 W121 T122 L127 T128 M129 | P65-N125 HydrophobicContact CB-CB 4.04Å; P65-N125 WeakPolarHBondContact O-CB 3.36Å; P65-N125 PolarHBondContact O-ND2 2.95Å; G67-N125 WeakPolarHBondContact CA-OD1 3.26Å; G67-N125 PolarHBondContact N-ND2 3.18Å; G67-N125 VanDerWaalsContact N-ND2 3.12Å; W121-N125 WeakPolarHBondContact CZ2-ND2 3.46Å; W121-N125 PolarHBondContact NE1-ND2 3.24Å; W121-N125 VanDerWaalsContact O-CG 3.26Å; W121-N125 PolarHBondContact O-N 3.37Å; W121-N125 PolarHBondContact O-ND2 2.6Å; T122-N125 PolarHBondContact O-N 3.27Å; N125-L127 VanDerWaalsContact C-N 3.31Å; N125-L127 PolarHBondContact O-N 3.49Å; N125-T128 PolarHBondContact O-N 2.87Å; N125-M129 HydrophobicContact CB-SD 4.4Å; N125-M129 WeakPolarHBondContact O-CB 2.87Å; N125-M129 WeakPolarHBondContact O-CG 3.48Å; N125-M129 PolarHBondContact O-N 3.11Å |
| 126 | I | 96.8 | Very high | 94 | Very high | 20 Ų | 20 | 52 Ų | 52 | 10% | 0.103 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -54.6 | -49.1 | 172.7 | -74.6 | 173.7 | 0 | 0 | 0 | 110.2 | P65 W100 T122 R123 T128 M129 K130 | P65-I126 HydrophobicContact CB-CG1 3.76Å; P65-I126 HydrophobicContact CG-CG1 4.19Å; W100-I126 HydrophobicContact CB-CD1 3.84Å; W100-I126 HydrophobicContact CB-CG1 3.96Å; W100-I126 HydrophobicContact CD2-CB 4.3Å; W100-I126 HydrophobicContact CD2-CD1 4.4Å; W100-I126 HydrophobicContact CD2-CG1 3.76Å; W100-I126 HydrophobicContact CD2-CG2 4.04Å; W100-I126 HydrophobicContact CE3-CG1 4.27Å; W100-I126 HydrophobicContact CG-CB 4.44Å; W100-I126 HydrophobicContact CG-CD1 3.69Å; W100-I126 HydrophobicContact CG-CG1 3.57Å; W100-I126 HydrophobicContact CG-CG2 4.21Å; W100-I126 HydrophobicContact CZ2-CG2 4.04Å; T122-I126 HydrophobicContact CG2-CD1 3.93Å; T122-I126 WeakPolarHBondContact O-CG1 3.3Å; T122-I126 PolarHBondContact O-N 2.87Å; R123-I126 PolarHBondContact O-N 3.17Å; I126-T128 PolarHBondContact O-N 3.44Å; I126-M129 PolarHBondContact O-N 2.98Å; I126-K130 WeakPolarHBondContact O-CB 3.3Å; I126-K130 PolarHBondContact O-N 3.32Å |
| 127 | L | 96.6 | Very high | 94.1 | Very high | 122 Ų | 122 | 49.1 Ų | 49.1 | 64% | 0.639 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -60.8 | -45.4 | 178 | -68.3 | 170.8 | 0 | 0 | 0 | 112 | R123 K124 N125 K131 | R123-L127 WeakPolarHBondContact O-CG 3.24Å; R123-L127 PolarHBondContact O-N 3.21Å; R123-L127 VanDerWaalsContact O-N 3.12Å; K124-L127 PolarHBondContact O-N 3.4Å; N125-L127 VanDerWaalsContact C-N 3.31Å; N125-L127 PolarHBondContact O-N 3.49Å; L127-K131 WeakPolarHBondContact O-CB 2.95Å; L127-K131 PolarHBondContact O-N 3.08Å |
| 128 | T | 95.5 | Very high | 94.1 | Very high | 61 Ų | 61 | 47 Ų | 47 | 37% | 0.374 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.6 | -47.8 | 177.7 | -60.2 | 0 | 0 | 0 | 0 | 112.1 | K124 N125 I126 K131 Q132 | K124-T128 PolarHBondContact O-N 3.38Å; K124-T128 PolarHBondContact O-OG1 2.88Å; N125-T128 PolarHBondContact O-N 2.87Å; I126-T128 PolarHBondContact O-N 3.44Å; T128-K131 WeakPolarHBondContact O-CB 3.08Å; T128-K131 PolarHBondContact O-N 2.83Å; T128-Q132 PolarHBondContact O-N 3.14Å |
| 129 | M | 96.6 | Very high | 94 | Very high | 2 Ų | 2 | 47.5 Ų | 47.5 | 1% | 0.01 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -70.4 | -38.4 | -177.8 | -65.2 | 163.2 | 71.3 | 0 | 0 | 111.6 | P63 P65 G67 L69 W100 N125 I126 K131 Q132 M133 | P63-M129 HydrophobicContact CB-CE 3.43Å; P63-M129 VanDerWaalsContact CB-CE 3.43Å; P63-M129 HydrophobicContact CG-CE 3.43Å; P63-M129 VanDerWaalsContact CG-CE 3.43Å; P65-M129 VanDerWaalsContact CA-SD 3.54Å; P65-M129 HydrophobicContact CB-SD 4Å; G67-M129 VanDerWaalsContact O-CG 3.24Å; G67-M129 WeakPolarHBondContact O-CG 2.98Å; L69-M129 HydrophobicContact CD1-CB 4.31Å; L69-M129 HydrophobicContact CD2-CE 3.46Å; L69-M129 VanDerWaalsContact CD2-CE 3.46Å; L69-M129 HydrophobicContact CD2-CG 4.27Å; L69-M129 HydrophobicContact CG-CB 4.13Å; L69-M129 HydrophobicContact CG-CE 4.25Å; L69-M129 HydrophobicContact CG-CG 4.01Å; W100-M129 HydrophobicContact CE3-CE 4.27Å; W100-M129 HydrophobicContact CH2-CB 3.93Å; W100-M129 HydrophobicContact CZ3-CB 3.61Å; W100-M129 HydrophobicContact CZ3-CE 3.97Å; W100-M129 HydrophobicContact CZ3-SD 4.31Å; N125-M129 HydrophobicContact CB-SD 4.4Å; N125-M129 WeakPolarHBondContact O-CB 2.87Å; N125-M129 WeakPolarHBondContact O-CG 3.48Å; N125-M129 PolarHBondContact O-N 3.11Å; I126-M129 PolarHBondContact O-N 2.98Å; M129-K131 VanDerWaalsContact C-N 3.3Å; M129-K131 PolarHBondContact O-N 3.17Å; M129-Q132 WeakPolarHBondContact O-CB 3.44Å; M129-Q132 PolarHBondContact O-N 3.42Å; M129-M133 WeakPolarHBondContact O-CG 2.94Å; M129-M133 PolarHBondContact O-N 3.23Å |
| 130 | K | 96.6 | Very high | 93.9 | Very high | 51 Ų | 51 | 45.8 Ų | 45.8 | 22% | 0.222 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.6 | -41.4 | 172.8 | -173.7 | 165.5 | -173.5 | 176.3 | 0 | 111.2 | W100 I126 M133 N134 W143 E146 | W100-K130 HydrophobicContact CH2-CB 3.94Å; W100-K130 HydrophobicContact CZ2-CB 3.77Å; W100-K130 HydrophobicContact CZ2-CD 4.41Å; W100-K130 HydrophobicContact CZ2-CG 4.33Å; I126-K130 WeakPolarHBondContact O-CB 3.3Å; I126-K130 PolarHBondContact O-N 3.32Å; K130-M133 PolarHBondContact O-N 3.29Å; K130-N134 WeakPolarHBondContact O-CB 3.21Å; K130-N134 PolarHBondContact O-N 3.31Å; K130-N134 PolarHBondContact O-ND2 2.79Å; K130-W143 HydrophobicContact CB-CH2 4.28Å; K130-W143 HydrophobicContact CD-CE3 4.16Å; K130-W143 HydrophobicContact CD-CH2 4.1Å; K130-W143 HydrophobicContact CD-CZ2 4.49Å; K130-W143 HydrophobicContact CD-CZ3 3.91Å; K130-W143 VanDerWaalsContact CE-CE3 3.44Å; K130-W143 HydrophobicContact CG-CH2 3.65Å; K130-W143 HydrophobicContact CG-CZ2 3.84Å; K130-W143 HydrophobicContact CG-CZ3 4Å; K130-E146 VanDerWaalsContact NZ-CD 3.29Å; K130-E146 IonicContact NZ-OE1 3.5Å; K130-E146 PolarHBondContact NZ-OE1 3.29Å; K130-E146 IonicContact NZ-OE2 2.82Å; K130-E146 PolarHBondContact NZ-OE2 3.04Å |
| 131 | K | 95.1 | Very high | 93.8 | Very high | 122 Ų | 122 | 42 Ų | 42 | 53% | 0.53 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -59.8 | -48.5 | 172.3 | -170.1 | -175.3 | 179.3 | -175.5 | 0 | 111 | L127 T128 M129 M133 N134 E135 | L127-K131 WeakPolarHBondContact O-CB 2.95Å; L127-K131 PolarHBondContact O-N 3.08Å; T128-K131 WeakPolarHBondContact O-CB 3.08Å; T128-K131 PolarHBondContact O-N 2.83Å; M129-K131 VanDerWaalsContact C-N 3.3Å; M129-K131 PolarHBondContact O-N 3.17Å; K131-M133 PolarHBondContact O-N 2.94Å; K131-N134 PolarHBondContact O-N 3.44Å; K131-E135 VanDerWaalsContact CE-CD 3.46Å; K131-E135 WeakPolarHBondContact CE-OE2 3.29Å; K131-E135 HydrophobicContact CG-CB 4.44Å; K131-E135 VanDerWaalsContact CG-CD 3.48Å; K131-E135 HydrophobicContact CG-CG 4.16Å; K131-E135 IonicContact NZ-OE2 2.71Å; K131-E135 VanDerWaalsContact O-CB 3.31Å; K131-E135 WeakPolarHBondContact O-CB 3.25Å; K131-E135 PolarHBondContact O-N 3.38Å |
| 132 | Q | 95.4 | Very high | 93.7 | Very high | 8 Ų | 8 | 41.9 Ų | 41.9 | 4% | 0.037 | 20% | 0.2 | C | C | . | . | I | π-helix | trans | -59.2 | -43.6 | 176.3 | -70.4 | 177.9 | -62.9 | 0 | 0 | 112.2 | L69 T128 M129 N134 T136 M137 D708 | L69-Q132 HydrophobicContact CD1-CB 4.09Å; T128-Q132 PolarHBondContact O-N 3.14Å; M129-Q132 WeakPolarHBondContact O-CB 3.44Å; M129-Q132 PolarHBondContact O-N 3.42Å; Q132-N134 PolarHBondContact O-N 3.43Å; Q132-T136 CarbonylContact O-C 3.41Å; Q132-T136 WeakPolarHBondContact O-CA 3.35Å; Q132-T136 WeakPolarHBondContact O-CB 3Å; Q132-T136 PolarHBondContact O-N 2.97Å; Q132-M137 PolarHBondContact O-N 3.1Å; Q132-D708 VanDerWaalsContact NE2-CG 3.26Å; Q132-D708 PolarHBondContact NE2-OD1 3.26Å; Q132-D708 PolarHBondContact NE2-OD2 3.41Å |
| 133 | M | 95.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | I | π-helix | trans | -63.2 | -40.9 | 178.6 | -73.7 | 176 | 170.9 | 0 | 0 | 112.8 | P63 L69 Y77 M98 W100 M129 K130 K131 S138 L139 W143 | P63-M133 HydrophobicContact CG-CE 3.86Å; L69-M133 HydrophobicContact CD1-CE 4.02Å; L69-M133 HydrophobicContact CD1-CG 3.79Å; Y77-M133 HydrophobicContact CD2-CE 3.77Å; Y77-M133 HydrophobicContact CE2-CE 3.43Å; Y77-M133 VanDerWaalsContact CE2-CE 3.43Å; M98-M133 HydrophobicContact CE-CE 4.27Å; M98-M133 HydrophobicContact CG-CE 3.97Å; M98-M133 HydrophobicContact CG-SD 3.74Å; M98-M133 HydrophobicContact SD-CE 3.88Å; M98-M133 HydrophobicContact SD-SD 4.43Å; W100-M133 HydrophobicContact CH2-CE 4.41Å; W100-M133 HydrophobicContact CH2-SD 3.85Å; W100-M133 HydrophobicContact CZ3-CE 4.27Å; W100-M133 HydrophobicContact CZ3-SD 4.3Å; M129-M133 WeakPolarHBondContact O-CG 2.94Å; M129-M133 PolarHBondContact O-N 3.23Å; K130-M133 PolarHBondContact O-N 3.29Å; K131-M133 PolarHBondContact O-N 2.94Å; M133-S138 PolarHBondContact O-N 3.38Å; M133-S138 VanDerWaalsContact O-N 3.1Å; M133-L139 HydrophobicContact CB-CD1 4.04Å; M133-L139 HydrophobicContact CG-CD1 3.98Å; M133-L139 PolarHBondContact O-N 3.02Å; M133-W143 HydrophobicContact CB-CZ2 4.28Å; M133-W143 HydrophobicContact SD-CH2 4.02Å; M133-W143 HydrophobicContact SD-CZ2 4.45Å |
| 134 | N | 92.1 | Very high | 93.4 | Very high | 45 Ų | 45 | 41.4 Ų | 41.4 | 24% | 0.241 | 21% | 0.211 | C | C | . | . | I | π-helix | trans | -83 | -47.8 | -177.4 | -73.4 | -33.9 | 0 | 0 | 0 | 113.2 | R39 K130 K131 Q132 S138 W143 | R39-N134 PolarHBondContact NH2-O 3.32Å; K130-N134 WeakPolarHBondContact O-CB 3.21Å; K130-N134 PolarHBondContact O-N 3.31Å; K130-N134 PolarHBondContact O-ND2 2.79Å; K131-N134 PolarHBondContact O-N 3.44Å; Q132-N134 PolarHBondContact O-N 3.43Å; N134-S138 WeakPolarHBondContact O-CA 3.34Å; N134-W143 PolarHBondContact ND2-NE1 3.01Å; N134-W143 PolarHBondContact OD1-NE1 3.4Å |
| 135 | E | 89.1 | Confident | 93.3 | Very high | 112 Ų | 112 | 37.1 Ų | 37.1 | 52% | 0.523 | 19% | 0.192 | S | C | . | . | I | π-helix | trans | -89.5 | -41.1 | -171.9 | -63.2 | -179.4 | -160.9 | 0 | 0 | 112.5 | K131 | K131-E135 VanDerWaalsContact CE-CD 3.46Å; K131-E135 WeakPolarHBondContact CE-OE2 3.29Å; K131-E135 HydrophobicContact CG-CB 4.44Å; K131-E135 VanDerWaalsContact CG-CD 3.48Å; K131-E135 HydrophobicContact CG-CG 4.16Å; K131-E135 IonicContact NZ-OE2 2.71Å; K131-E135 VanDerWaalsContact O-CB 3.31Å; K131-E135 WeakPolarHBondContact O-CB 3.25Å; K131-E135 PolarHBondContact O-N 3.38Å |
| 136 | T | 90.7 | Very high | 93.4 | Very high | 12 Ų | 12 | 39.6 Ų | 39.6 | 7% | 0.074 | 20% | 0.203 | C | C | . | . | I | π-helix | trans | -87.1 | -46.1 | -177.4 | -49.7 | 0 | 0 | 0 | 0 | 112.2 | Q132 P709 T710 V713 | Q132-T136 CarbonylContact O-C 3.41Å; Q132-T136 WeakPolarHBondContact O-CA 3.35Å; Q132-T136 WeakPolarHBondContact O-CB 3Å; Q132-T136 PolarHBondContact O-N 2.97Å; T136-P709 HydrophobicContact CG2-CB 4.12Å; T136-T710 HydrophobicContact CG2-CG2 4.49Å; T136-T710 PolarHBondContact OG1-OG1 2.94Å; T136-V713 HydrophobicContact CG2-CB 3.78Å; T136-V713 HydrophobicContact CG2-CG1 4.13Å; T136-V713 HydrophobicContact CG2-CG2 3.79Å |
| 137 | M | 92.7 | Very high | 93.5 | Very high | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -95.8 | -19.1 | -175 | -57.2 | -178.3 | -168.7 | 0 | 0 | 113.9 | L69 L74 Y77 Q132 L139 P709 | L69-M137 HydrophobicContact CB-CE 4.07Å; L69-M137 HydrophobicContact CD1-CE 3.6Å; L69-M137 HydrophobicContact CD1-SD 4.45Å; L69-M137 HydrophobicContact CG-CE 4.47Å; L74-M137 HydrophobicContact CB-CE 3.87Å; L74-M137 HydrophobicContact CB-SD 4.27Å; L74-M137 HydrophobicContact CD1-CE 4.48Å; L74-M137 HydrophobicContact CD1-CG 4.13Å; L74-M137 HydrophobicContact CG-CE 4.44Å; L74-M137 HydrophobicContact CG-CG 4.41Å; L74-M137 HydrophobicContact CG-SD 4.4Å; Y77-M137 HydrophobicContact CD2-SD 4.45Å; Q132-M137 PolarHBondContact O-N 3.1Å; M137-L139 VanDerWaalsContact C-N 3.31Å; M137-L139 HydrophobicContact CB-CD1 4.29Å; M137-L139 HydrophobicContact CB-CD2 3.92Å; M137-L139 HydrophobicContact CB-CG 3.74Å; M137-L139 PolarHBondContact O-N 3.38Å; M137-L139 HydrophobicContact SD-CD1 4.21Å; M137-P709 HydrophobicContact CE-CB 4.05Å; M137-P709 HydrophobicContact CE-CG 3.73Å |
| 138 | S | 90.4 | Very high | 93.5 | Very high | 3 Ų | 3 | 34.7 Ų | 34.7 | 2% | 0.021 | 18% | 0.18 | C | C | . | . | trans | 42.2 | 51.4 | -173.2 | -159.8 | 0 | 0 | 0 | 0 | 114.6 | L35 R85 M133 N134 M718 | L35-S138 VanDerWaalsContact CD2-OG 3.26Å; L35-S138 WeakPolarHBondContact CD2-OG 3.44Å; R85-S138 PolarHBondContact NH2-O 3.26Å; M133-S138 PolarHBondContact O-N 3.38Å; M133-S138 VanDerWaalsContact O-N 3.1Å; N134-S138 WeakPolarHBondContact O-CA 3.34Å; S138-M718 WeakPolarHBondContact CB-SD 3.34Å | ||
| 139 | L | 92.5 | Very high | 93.6 | Very high | 12 Ų | 12 | 31.8 Ų | 31.8 | 6% | 0.063 | 16% | 0.162 | C | C | . | . | trans | -71.3 | 141.1 | 178 | -52.9 | 173.3 | 0 | 0 | 0 | 111.2 | Y77 D81 M133 M137 V141 | Y77-L139 HydrophobicContact CG-CD1 4.34Å; D81-L139 HydrophobicContact CB-CD2 3.75Å; M133-L139 HydrophobicContact CB-CD1 4.04Å; M133-L139 HydrophobicContact CG-CD1 3.98Å; M133-L139 PolarHBondContact O-N 3.02Å; M137-L139 VanDerWaalsContact C-N 3.31Å; M137-L139 HydrophobicContact CB-CD1 4.29Å; M137-L139 HydrophobicContact CB-CD2 3.92Å; M137-L139 HydrophobicContact CB-CG 3.74Å; M137-L139 PolarHBondContact O-N 3.38Å; M137-L139 HydrophobicContact SD-CD1 4.21Å; L139-V141 HydrophobicContact CB-CG2 3.74Å; L139-V141 HydrophobicContact CD1-CG2 4.41Å; L139-V141 PolarHBondContact O-N 3.14Å | ||
| 140 | A | 89.3 | Confident | 93.6 | Very high | 15 Ų | 15 | 32.4 Ų | 32.4 | 12% | 0.124 | 17% | 0.166 | C | C | . | . | trans | -79 | 65.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111 | D42 D81 | D42-A140 HydrophobicContact CB-CB 3.85Å; D81-A140 WeakPolarHBondContact OD1-CB 3.35Å; D81-A140 PolarHBondContact OD1-N 2.74Å | ||
| 141 | V | 91.6 | Very high | 93.6 | Very high | 13 Ų | 13 | 33.1 Ų | 33.1 | 8% | 0.079 | 17% | 0.173 | C | C | . | . | trans | -89.3 | 133.7 | -178.6 | 171.6 | 0 | 0 | 0 | 0 | 111.1 | M98 L139 W143 | M98-V141 HydrophobicContact CB-CG1 3.44Å; M98-V141 VanDerWaalsContact CB-CG1 3.44Å; M98-V141 HydrophobicContact CB-CG2 4.24Å; L139-V141 HydrophobicContact CB-CG2 3.74Å; L139-V141 HydrophobicContact CD1-CG2 4.41Å; L139-V141 PolarHBondContact O-N 3.14Å; V141-W143 HydrophobicContact CB-CD2 4.41Å; V141-W143 HydrophobicContact CB-CZ2 4.18Å; V141-W143 HydrophobicContact CG1-CD2 3.69Å; V141-W143 HydrophobicContact CG1-CE3 4.1Å; V141-W143 HydrophobicContact CG1-CG 4.09Å; V141-W143 HydrophobicContact CG1-CH2 4.28Å; V141-W143 HydrophobicContact CG1-CZ2 3.91Å; V141-W143 HydrophobicContact CG1-CZ3 4.37Å; V141-W143 PolarHBondContact O-N 3.16Å | ||
| 142 | D | 90.7 | Very high | 93.7 | Very high | 14 Ų | 14 | 29.5 Ų | 29.5 | 8% | 0.075 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 85.8 | 168.4 | -177 | 2.8 | 0 | 0 | 0 | 110.8 | C96 S144 R145 | C96-D142 PolarHBondContact O-N 3.2Å; D142-S144 PolarHBondContact O-N 3.03Å; D142-S144 VanDerWaalsContact OD1-CB 3.28Å; D142-S144 WeakPolarHBondContact OD1-CB 3.41Å; D142-S144 PolarHBondContact OD1-N 3.42Å; D142-S144 PolarHBondContact OD1-OG 2.95Å; D142-S144 PolarHBondContact OD2-OG 3.19Å; D142-R145 PolarHBondContact O-N 3.06Å; D142-R145 VanDerWaalsContact O-N 3.14Å; D142-R145 WeakPolarHBondContact OD2-CD 3.43Å; D142-R145 WeakPolarHBondContact OD2-CG 3.47Å; D142-R145 IonicContact OD2-CZ 3.61Å; D142-R145 IonicContact OD2-NE 3.82Å; D142-R145 PolarHBondContact OD2-NE 3.2Å |
| 143 | W | 92.7 | Very high | 93.8 | Very high | 53 Ų | 53 | 33.3 Ų | 33.3 | 20% | 0.201 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | -10.3 | 177.9 | -67.7 | 109.6 | 0 | 0 | 0 | 114.2 | M98 W100 K130 M133 N134 V141 R145 E146 | M98-W143 HydrophobicContact CB-CH2 4.23Å; M98-W143 HydrophobicContact CB-CZ3 4.2Å; M98-W143 HydrophobicContact CG-CH2 4.21Å; M98-W143 HydrophobicContact CG-CZ3 4.44Å; W100-W143 HydrophobicContact CH2-CH2 4.18Å; W100-W143 AromaticContact CZ2-CH2 3.81Å; W100-W143 HydrophobicContact CZ2-CH2 3.81Å; W100-W143 AromaticContact CZ2-CZ3 3.76Å; W100-W143 HydrophobicContact CZ2-CZ3 3.76Å; K130-W143 HydrophobicContact CB-CH2 4.28Å; K130-W143 HydrophobicContact CD-CE3 4.16Å; K130-W143 HydrophobicContact CD-CH2 4.1Å; K130-W143 HydrophobicContact CD-CZ2 4.49Å; K130-W143 HydrophobicContact CD-CZ3 3.91Å; K130-W143 VanDerWaalsContact CE-CE3 3.44Å; K130-W143 HydrophobicContact CG-CH2 3.65Å; K130-W143 HydrophobicContact CG-CZ2 3.84Å; K130-W143 HydrophobicContact CG-CZ3 4Å; M133-W143 HydrophobicContact CB-CZ2 4.28Å; M133-W143 HydrophobicContact SD-CH2 4.02Å; M133-W143 HydrophobicContact SD-CZ2 4.45Å; N134-W143 PolarHBondContact ND2-NE1 3.01Å; N134-W143 PolarHBondContact OD1-NE1 3.4Å; V141-W143 HydrophobicContact CB-CD2 4.41Å; V141-W143 HydrophobicContact CB-CZ2 4.18Å; V141-W143 HydrophobicContact CG1-CD2 3.69Å; V141-W143 HydrophobicContact CG1-CE3 4.1Å; V141-W143 HydrophobicContact CG1-CG 4.09Å; V141-W143 HydrophobicContact CG1-CH2 4.28Å; V141-W143 HydrophobicContact CG1-CZ2 3.91Å; V141-W143 HydrophobicContact CG1-CZ3 4.37Å; V141-W143 PolarHBondContact O-N 3.16Å; W143-R145 PolarHBondContact O-N 3.47Å; W143-E146 HydrophobicContact CE3-CB 4.15Å; W143-E146 HydrophobicContact CE3-CG 4.13Å; W143-E146 HydrophobicContact CZ3-CG 4.28Å; W143-E146 WeakPolarHBondContact O-CB 3.37Å; W143-E146 PolarHBondContact O-N 3.21Å |
| 144 | S | 91.5 | Very high | 93.9 | Very high | 84 Ų | 84 | 33.6 Ų | 33.6 | 59% | 0.587 | 18% | 0.183 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -66.9 | -15.7 | 171 | 79.7 | 0 | 0 | 0 | 0 | 112 | D142 | D142-S144 PolarHBondContact O-N 3.03Å; D142-S144 VanDerWaalsContact OD1-CB 3.28Å; D142-S144 WeakPolarHBondContact OD1-CB 3.41Å; D142-S144 PolarHBondContact OD1-N 3.42Å; D142-S144 PolarHBondContact OD1-OG 2.95Å; D142-S144 PolarHBondContact OD2-OG 3.19Å |
| 145 | R | 94.1 | Very high | 94.2 | Very high | 20 Ų | 20 | 31.8 Ų | 31.8 | 8% | 0.075 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 17.9 | 176.9 | -58.3 | 173.1 | -174.3 | -86.4 | 3.4 | 113.7 | P97 D142 W143 L147 Y586 L587 P589 | P97-R145 HydrophobicContact CB-CB 3.98Å; D142-R145 PolarHBondContact O-N 3.06Å; D142-R145 VanDerWaalsContact O-N 3.14Å; D142-R145 WeakPolarHBondContact OD2-CD 3.43Å; D142-R145 WeakPolarHBondContact OD2-CG 3.47Å; D142-R145 IonicContact OD2-CZ 3.61Å; D142-R145 IonicContact OD2-NE 3.82Å; D142-R145 PolarHBondContact OD2-NE 3.2Å; W143-R145 PolarHBondContact O-N 3.47Å; R145-L147 PolarHBondContact O-N 3.36Å; R145-Y586 HydrophobicContact CB-CD1 4.28Å; R145-Y586 VanDerWaalsContact CD-O 3.23Å; R145-Y586 WeakPolarHBondContact CD-O 3.09Å; R145-Y586 WeakPolarHBondContact CG-O 3.46Å; R145-Y586 PolarHBondContact NH1-O 3.31Å; R145-Y586 WeakPolarHBondContact O-CD1 3.17Å; R145-Y586 WeakPolarHBondContact O-CE1 3.25Å; R145-L587 PolarHBondContact NH1-O 2.94Å; R145-P589 HydrophobicContact CB-CG 4.48Å; R145-P589 HydrophobicContact CG-CG 4.42Å |
| 146 | E | 97 | Very high | 94.6 | Very high | 60 Ų | 60 | 28.8 Ų | 28.8 | 28% | 0.28 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.6 | 135.3 | 177.9 | -173.5 | 174.1 | -157.6 | 0 | 0 | 112.2 | M98 W100 K130 W143 | M98-E146 WeakPolarHBondContact O-CA 3.49Å; W100-E146 PolarHBondContact NE1-OE1 3.24Å; K130-E146 VanDerWaalsContact NZ-CD 3.29Å; K130-E146 IonicContact NZ-OE1 3.5Å; K130-E146 PolarHBondContact NZ-OE1 3.29Å; K130-E146 IonicContact NZ-OE2 2.82Å; K130-E146 PolarHBondContact NZ-OE2 3.04Å; W143-E146 HydrophobicContact CE3-CB 4.15Å; W143-E146 HydrophobicContact CE3-CG 4.13Å; W143-E146 HydrophobicContact CZ3-CG 4.28Å; W143-E146 WeakPolarHBondContact O-CB 3.37Å; W143-E146 PolarHBondContact O-N 3.21Å |
| 147 | L | 97.2 | Very high | 95 | Very high | 16 Ų | 16 | 28.7 Ų | 28.7 | 8% | 0.084 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 151 | 176.9 | -62.2 | 176.4 | 0 | 0 | 0 | 110.7 | G99 W100 R145 Y154 R585 Y586 P589 | G99-L147 CarbonylContact C-O 3.47Å; G99-L147 WeakPolarHBondContact CA-O 3.22Å; W100-L147 PolarHBondContact N-O 3.21Å; R145-L147 PolarHBondContact O-N 3.36Å; L147-Y154 HydrophobicContact CB-CD2 4.4Å; L147-Y154 HydrophobicContact CD1-CD2 4.31Å; L147-Y154 HydrophobicContact CD1-CE2 4.07Å; L147-Y154 HydrophobicContact CD2-CD2 4.38Å; L147-R585 HydrophobicContact CD1-CB 3.62Å; L147-R585 HydrophobicContact CD1-CG 3.64Å; L147-R585 HydrophobicContact CD2-CG 3.85Å; L147-R585 HydrophobicContact CG-CG 4.43Å; L147-Y586 HydrophobicContact CB-CE1 4.1Å; L147-Y586 HydrophobicContact CD1-CD1 3.43Å; L147-Y586 VanDerWaalsContact CD1-CD1 3.43Å; L147-Y586 HydrophobicContact CD1-CE1 3.6Å; L147-Y586 HydrophobicContact CD1-CG 4.03Å; L147-Y586 HydrophobicContact CG-CD1 3.84Å; L147-Y586 HydrophobicContact CG-CE1 3.81Å; L147-P589 HydrophobicContact CD2-CB 3.63Å |
| 148 | S | 97.5 | Very high | 95.2 | Very high | 23 Ų | 23 | 28.6 Ų | 28.6 | 16% | 0.161 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 123.5 | 168.1 | 179.2 | 0 | 0 | 0 | 0 | 107.9 | S102 C150 D151 Y154 | S102-S148 WeakPolarHBondContact CB-OG 3.34Å; S102-S148 PolarHBondContact OG-OG 3.47Å; S148-C150 PolarHBondContact O-N 3.08Å; S148-C150 PolarHBondContact OG-SG 3.37Å; S148-C150 VanDerWaalsContact OG-SG 3.33Å; S148-D151 VanDerWaalsContact O-CB 3.28Å; S148-D151 WeakPolarHBondContact O-CB 3.31Å; S148-D151 PolarHBondContact O-N 3.32Å; S148-Y154 WeakPolarHBondContact O-CB 3.41Å |
| 149 | T | 97.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -25.1 | -174.8 | 59.5 | 0 | 0 | 0 | 0 | 113.6 | F62 W100 D101 S102 F103 D151 Y154 D578 | F62-T149 HydrophobicContact CE2-CG2 3.77Å; F62-T149 HydrophobicContact CZ-CG2 3.91Å; W100-T149 PolarHBondContact O-N 3.34Å; W100-T149 VanDerWaalsContact O-N 3.07Å; D101-T149 PolarHBondContact OD1-OG1 3.5Å; S102-T149 PolarHBondContact N-OG1 2.96Å; S102-T149 PolarHBondContact OG-N 3.08Å; S102-T149 PolarHBondContact OG-OG1 3.34Å; F103-T149 WeakPolarHBondContact CD2-O 3.28Å; F103-T149 WeakPolarHBondContact CE2-O 3.21Å; F103-T149 PolarHBondContact N-OG1 3.27Å; T149-D151 VanDerWaalsContact C-N 3.28Å; T149-D151 PolarHBondContact O-N 2.98Å; T149-Y154 HydrophobicContact CG2-CD1 4.15Å; T149-Y154 HydrophobicContact CG2-CE1 3.69Å; T149-D578 HydrophobicContact CG2-CB 3.86Å |
| 150 | C | 96.7 | Very high | 95.9 | Very high | 16 Ų | 16 | 29.6 Ų | 29.6 | 11% | 0.108 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -3.3 | 174 | 80.8 | 0 | 0 | 0 | 0 | 115.1 | S102 F103 S148 Y155 W508 | S102-C150 WeakPolarHBondContact OG-CB 3.49Å; S102-C150 PolarHBondContact OG-N 2.98Å; S102-C150 PolarHBondContact OG-SG 3.43Å; S102-C150 VanDerWaalsContact OG-SG 3.35Å; F103-C150 HydrophobicContact CD1-CB 3.65Å; F103-C150 HydrophobicContact CD2-CB 4.2Å; F103-C150 HydrophobicContact CE1-CB 3.57Å; F103-C150 HydrophobicContact CE2-CB 4.17Å; F103-C150 HydrophobicContact CG-CB 3.96Å; F103-C150 HydrophobicContact CZ-CB 3.85Å; S148-C150 PolarHBondContact O-N 3.08Å; S148-C150 PolarHBondContact OG-SG 3.37Å; S148-C150 VanDerWaalsContact OG-SG 3.33Å; C150-Y155 WeakPolarHBondContact O-CE1 3.41Å; C150-W508 HydrophobicContact CB-CH2 4.34Å; C150-W508 HydrophobicContact CB-CZ2 3.82Å |
| 151 | D | 96.6 | Very high | 96.4 | Very high | 66 Ų | 66 | 28.9 Ų | 28.9 | 35% | 0.353 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -77.2 | 131.5 | 176.3 | -168.3 | -52 | 0 | 0 | 0 | 110.4 | S148 T149 N153 Y154 Y155 | S148-D151 VanDerWaalsContact O-CB 3.28Å; S148-D151 WeakPolarHBondContact O-CB 3.31Å; S148-D151 PolarHBondContact O-N 3.32Å; T149-D151 VanDerWaalsContact C-N 3.28Å; T149-D151 PolarHBondContact O-N 2.98Å; D151-N153 PolarHBondContact O-N 3.49Å; D151-N153 VanDerWaalsContact O-N 3.15Å; D151-N153 WeakPolarHBondContact OD1-CB 3.45Å; D151-N153 PolarHBondContact OD1-N 3.45Å; D151-N153 PolarHBondContact OD1-ND2 2.89Å; D151-N153 VanDerWaalsContact OD1-ND2 3.17Å; D151-Y154 WeakPolarHBondContact O-CA 3.43Å; D151-Y154 WeakPolarHBondContact O-CB 3.47Å; D151-Y154 PolarHBondContact O-N 3.15Å; D151-Y155 VanDerWaalsContact C-CD1 3.43Å; D151-Y155 WeakPolarHBondContact O-CD1 3.39Å; D151-Y155 PolarHBondContact O-N 2.97Å |
| 152 | P | 97.1 | Very high | 96.7 | Very high | 46 Ų | 46 | 28.2 Ų | 28.2 | 30% | 0.299 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -52.2 | -33.6 | 174.7 | -25.2 | 32.8 | 0 | 0 | 0 | 114.9 | Y154 Y155 K156 P531 L533 | P152-Y154 PolarHBondContact O-N 2.77Å; P152-Y155 HydrophobicContact CB-CE1 4.03Å; P152-Y155 HydrophobicContact CG-CE1 3.89Å; P152-Y155 VanDerWaalsContact N-CE1 3.31Å; P152-K156 WeakPolarHBondContact O-CB 3.13Å; P152-K156 PolarHBondContact O-N 3.23Å; P152-K156 VanDerWaalsContact O-N 3.08Å; P152-P531 HydrophobicContact CB-CG 4.05Å; P152-L533 HydrophobicContact CB-CD2 3.71Å; P152-L533 HydrophobicContact CG-CD2 3.81Å |
| 153 | N | 96.3 | Very high | 97.1 | Very high | 87 Ų | 87 | 27.6 Ų | 27.6 | 47% | 0.465 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -69.2 | -20.1 | 177 | -62.6 | -50.3 | 0 | 0 | 0 | 112.7 | D151 | D151-N153 PolarHBondContact O-N 3.49Å; D151-N153 VanDerWaalsContact O-N 3.15Å; D151-N153 WeakPolarHBondContact OD1-CB 3.45Å; D151-N153 PolarHBondContact OD1-N 3.45Å; D151-N153 PolarHBondContact OD1-ND2 2.89Å; D151-N153 VanDerWaalsContact OD1-ND2 3.17Å |
| 154 | Y | 98.1 | Very high | 97.3 | Very high | 6 Ų | 6 | 27 Ų | 27 | 2% | 0.024 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -88.1 | -61.4 | 171.9 | -173.8 | -85 | 0 | 0 | 0 | 110.9 | L147 S148 T149 D151 P152 K156 W157 D578 W581 Y582 R585 | L147-Y154 HydrophobicContact CB-CD2 4.4Å; L147-Y154 HydrophobicContact CD1-CD2 4.31Å; L147-Y154 HydrophobicContact CD1-CE2 4.07Å; L147-Y154 HydrophobicContact CD2-CD2 4.38Å; S148-Y154 WeakPolarHBondContact O-CB 3.41Å; T149-Y154 HydrophobicContact CG2-CD1 4.15Å; T149-Y154 HydrophobicContact CG2-CE1 3.69Å; D151-Y154 WeakPolarHBondContact O-CA 3.43Å; D151-Y154 WeakPolarHBondContact O-CB 3.47Å; D151-Y154 PolarHBondContact O-N 3.15Å; P152-Y154 PolarHBondContact O-N 2.77Å; Y154-K156 PolarHBondContact O-N 3.45Å; Y154-K156 VanDerWaalsContact O-N 3.17Å; Y154-W157 WeakPolarHBondContact O-CB 3.48Å; Y154-W157 PolarHBondContact O-N 2.96Å; Y154-D578 HydrophobicContact CE1-CB 4.07Å; Y154-D578 PolarHBondContact OH-O 3.05Å; Y154-W581 HydrophobicContact CD1-CH2 4.31Å; Y154-W581 AromaticContact CD1-CZ2 3.85Å; Y154-W581 HydrophobicContact CD1-CZ2 3.85Å; Y154-W581 HydrophobicContact CD2-CH2 4.08Å; Y154-W581 HydrophobicContact CD2-CZ2 4.37Å; Y154-W581 AromaticContact CE1-CE2 3.87Å; Y154-W581 HydrophobicContact CE1-CH2 4.01Å; Y154-W581 AromaticContact CE1-CZ2 3.33Å; Y154-W581 HydrophobicContact CE1-CZ2 3.33Å; Y154-W581 AromaticContact CE2-CH2 3.76Å; Y154-W581 HydrophobicContact CE2-CH2 3.76Å; Y154-W581 AromaticContact CE2-CZ2 3.92Å; Y154-W581 HydrophobicContact CE2-CZ2 3.92Å; Y154-W581 HydrophobicContact CE2-CZ3 4.33Å; Y154-W581 HydrophobicContact CG-CH2 4.33Å; Y154-W581 HydrophobicContact CG-CZ2 4.34Å; Y154-W581 AromaticContact CZ-CE2 3.74Å; Y154-W581 AromaticContact CZ-CH2 3.72Å; Y154-W581 AromaticContact CZ-CZ2 3.37Å; Y154-Y582 VanDerWaalsContact OH-CA 3.24Å; Y154-Y582 WeakPolarHBondContact OH-CA 3.44Å; Y154-Y582 WeakPolarHBondContact OH-CB 3.41Å; Y154-Y582 PolarHBondContact OH-N 3.46Å; Y154-R585 HydrophobicContact CD2-CG 3.95Å; Y154-R585 HydrophobicContact CE2-CB 3.99Å; Y154-R585 HydrophobicContact CE2-CG 3.94Å |
| 155 | Y | 97.9 | Very high | 97.7 | Very high | 8 Ų | 8 | 23 Ų | 23 | 3% | 0.031 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -72.1 | -13.3 | -169.6 | 70.2 | -110.5 | 0 | 0 | 0 | 114 | F103 C150 D151 P152 W157 T158 Q159 T510 P531 L533 | F103-Y155 AromaticContact CE2-CD1 3.58Å; F103-Y155 HydrophobicContact CE2-CD1 3.58Å; F103-Y155 HydrophobicContact CE2-CE1 4.19Å; F103-Y155 HydrophobicContact CE2-CG 4.06Å; F103-Y155 AromaticContact CZ-CD1 3.89Å; F103-Y155 HydrophobicContact CZ-CD1 3.89Å; F103-Y155 HydrophobicContact CZ-CE1 4.03Å; C150-Y155 WeakPolarHBondContact O-CE1 3.41Å; D151-Y155 VanDerWaalsContact C-CD1 3.43Å; D151-Y155 WeakPolarHBondContact O-CD1 3.39Å; D151-Y155 PolarHBondContact O-N 2.97Å; P152-Y155 HydrophobicContact CB-CE1 4.03Å; P152-Y155 HydrophobicContact CG-CE1 3.89Å; P152-Y155 VanDerWaalsContact N-CE1 3.31Å; Y155-W157 PolarHBondContact O-N 3.43Å; Y155-T158 WeakPolarHBondContact O-CB 3.42Å; Y155-T158 PolarHBondContact O-N 2.92Å; Y155-T158 VanDerWaalsContact O-N 3.13Å; Y155-Q159 WeakPolarHBondContact O-CG 3.27Å; Y155-Q159 PolarHBondContact O-N 3.42Å; Y155-T510 VanDerWaalsContact CB-OG1 3.32Å; Y155-T510 WeakPolarHBondContact CB-OG1 3.18Å; Y155-T510 HydrophobicContact CD2-CG2 4.13Å; Y155-T510 HydrophobicContact CG-CG2 4.3Å; Y155-P531 HydrophobicContact CD2-CB 4.22Å; Y155-P531 HydrophobicContact CE2-CB 3.73Å; Y155-L533 VanDerWaalsContact OH-CD2 3.31Å; Y155-L533 WeakPolarHBondContact OH-CD2 3.43Å |
| 156 | K | 98.2 | Very high | 97.8 | Very high | 49 Ų | 49 | 25 Ų | 25 | 21% | 0.213 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -48.5 | -42.2 | 162.9 | -179.2 | -172.4 | -179.9 | -178.8 | 0 | 111 | P152 Y154 Q159 W160 L530 P531 N592 | P152-K156 WeakPolarHBondContact O-CB 3.13Å; P152-K156 PolarHBondContact O-N 3.23Å; P152-K156 VanDerWaalsContact O-N 3.08Å; Y154-K156 PolarHBondContact O-N 3.45Å; Y154-K156 VanDerWaalsContact O-N 3.17Å; K156-Q159 WeakPolarHBondContact O-CB 3.35Å; K156-Q159 PolarHBondContact O-N 2.95Å; K156-W160 WeakPolarHBondContact O-CB 3.34Å; K156-W160 PolarHBondContact O-N 3.35Å; K156-L530 WeakPolarHBondContact CE-O 3.39Å; K156-L530 HydrophobicContact CG-CB 3.87Å; K156-P531 HydrophobicContact CB-CB 3.9Å; K156-P531 HydrophobicContact CB-CG 4.27Å; K156-P531 HydrophobicContact CG-CB 4.32Å; K156-N592 PolarHBondContact NZ-O 3.42Å |
| 157 | W | 98.5 | Very high | 97.7 | Very high | 10 Ų | 10 | 27.4 Ų | 27.4 | 4% | 0.038 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -80.4 | -28.1 | -178.8 | -61.6 | 112.6 | 0 | 0 | 0 | 113 | Y154 Y155 Q159 W160 L161 W581 N591 N592 S593 S594 I595 | Y154-W157 WeakPolarHBondContact O-CB 3.48Å; Y154-W157 PolarHBondContact O-N 2.96Å; Y155-W157 PolarHBondContact O-N 3.43Å; W157-Q159 VanDerWaalsContact C-N 3.33Å; W157-W160 HydrophobicContact CE3-CB 4Å; W157-W160 HydrophobicContact CE3-CD2 4.23Å; W157-W160 AromaticContact CE3-CG 3.99Å; W157-W160 HydrophobicContact CE3-CG 3.99Å; W157-W160 HydrophobicContact CZ3-CD2 4.47Å; W157-W160 HydrophobicContact CZ3-CG 4.17Å; W157-W160 PolarHBondContact O-N 3.36Å; W157-L161 WeakPolarHBondContact O-CB 3.28Å; W157-L161 PolarHBondContact O-N 2.75Å; W157-W581 HydrophobicContact CB-CH2 3.43Å; W157-W581 VanDerWaalsContact CB-CH2 3.43Å; W157-W581 HydrophobicContact CB-CZ2 3.87Å; W157-W581 HydrophobicContact CB-CZ3 4.04Å; W157-W581 HydrophobicContact CG-CH2 4.28Å; W157-N591 PolarHBondContact NE1-O 3.09Å; W157-N592 WeakPolarHBondContact CZ2-O 3.18Å; W157-S593 WeakPolarHBondContact CH2-O 3.25Å; W157-S594 WeakPolarHBondContact CZ2-O 3.16Å; W157-I595 HydrophobicContact CB-CB 4.35Å; W157-I595 HydrophobicContact CB-CD1 4.3Å; W157-I595 HydrophobicContact CB-CG1 3.96Å; W157-I595 HydrophobicContact CD2-CB 4.12Å; W157-I595 HydrophobicContact CE3-CB 3.94Å; W157-I595 HydrophobicContact CG-CB 4.3Å; W157-I595 HydrophobicContact CG-CG1 4.3Å |
| 158 | T | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.9 | -43.7 | 166.2 | -56.7 | 0 | 0 | 0 | 0 | 110.4 | Y155 L161 F162 T510 L573 V577 D578 W581 | Y155-T158 WeakPolarHBondContact O-CB 3.42Å; Y155-T158 PolarHBondContact O-N 2.92Å; Y155-T158 VanDerWaalsContact O-N 3.13Å; T158-L161 WeakPolarHBondContact O-CB 3.36Å; T158-L161 PolarHBondContact O-N 2.7Å; T158-F162 PolarHBondContact O-N 3.01Å; T158-T510 HydrophobicContact CG2-CG2 4.03Å; T158-L573 HydrophobicContact CG2-CD1 3.71Å; T158-V577 HydrophobicContact CG2-CB 4.33Å; T158-V577 HydrophobicContact CG2-CG1 3.7Å; T158-D578 WeakPolarHBondContact CB-OD1 3.28Å; T158-D578 VanDerWaalsContact CG2-OD1 3.23Å; T158-D578 WeakPolarHBondContact CG2-OD1 3.3Å; T158-D578 PolarHBondContact OG1-OD1 3.05Å; T158-W581 WeakPolarHBondContact OG1-CZ2 3.01Å; T158-W581 PolarHBondContact OG1-NE1 3.32Å |
| 159 | Q | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64 | -44.7 | 174.7 | -71.2 | 173.3 | -16 | 0 | 0 | 111.4 | Y155 K156 W157 L161 F162 L163 T510 P511 P513 L530 V532 | Y155-Q159 WeakPolarHBondContact O-CG 3.27Å; Y155-Q159 PolarHBondContact O-N 3.42Å; K156-Q159 WeakPolarHBondContact O-CB 3.35Å; K156-Q159 PolarHBondContact O-N 2.95Å; W157-Q159 VanDerWaalsContact C-N 3.33Å; Q159-L161 VanDerWaalsContact C-N 3.33Å; Q159-L161 PolarHBondContact O-N 3Å; Q159-F162 WeakPolarHBondContact O-CB 3.34Å; Q159-F162 PolarHBondContact O-N 3.26Å; Q159-L163 WeakPolarHBondContact O-CG 3.44Å; Q159-L163 PolarHBondContact O-N 3.45Å; Q159-T510 HydrophobicContact CG-CG2 3.63Å; Q159-P511 WeakPolarHBondContact CG-O 3.28Å; Q159-P511 PolarHBondContact NE2-O 3.02Å; Q159-P513 HydrophobicContact CB-CB 4.14Å; Q159-P513 HydrophobicContact CB-CG 3.92Å; Q159-P513 HydrophobicContact CG-CB 4.33Å; Q159-P513 HydrophobicContact CG-CG 4.24Å; Q159-L530 HydrophobicContact CB-CD1 4.14Å; Q159-L530 HydrophobicContact CB-CD2 3.95Å; Q159-V532 PolarHBondContact NE2-O 3.4Å |
| 160 | W | 98.5 | Very high | 97 | Very high | 35 Ų | 35 | 31 Ų | 31 | 13% | 0.133 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -57.4 | -44.9 | 173.7 | 178.2 | 89.4 | 0 | 0 | 0 | 112.1 | K156 W157 F162 L163 K164 E527 L530 I595 L631 I634 V636 | K156-W160 WeakPolarHBondContact O-CB 3.34Å; K156-W160 PolarHBondContact O-N 3.35Å; W157-W160 HydrophobicContact CE3-CB 4Å; W157-W160 HydrophobicContact CE3-CD2 4.23Å; W157-W160 AromaticContact CE3-CG 3.99Å; W157-W160 HydrophobicContact CE3-CG 3.99Å; W157-W160 HydrophobicContact CZ3-CD2 4.47Å; W157-W160 HydrophobicContact CZ3-CG 4.17Å; W157-W160 PolarHBondContact O-N 3.36Å; W160-F162 VanDerWaalsContact C-N 3.35Å; W160-F162 PolarHBondContact O-N 2.77Å; W160-L163 WeakPolarHBondContact O-CB 3.31Å; W160-L163 PolarHBondContact O-N 3.12Å; W160-L163 VanDerWaalsContact O-N 3.11Å; W160-K164 HydrophobicContact CD2-CG 4.06Å; W160-K164 HydrophobicContact CE3-CG 4.18Å; W160-K164 HydrophobicContact CH2-CG 3.85Å; W160-K164 HydrophobicContact CZ2-CD 4.12Å; W160-K164 HydrophobicContact CZ2-CG 3.74Å; W160-K164 HydrophobicContact CZ3-CG 4.07Å; W160-K164 WeakPolarHBondContact O-CG 3.44Å; W160-K164 PolarHBondContact O-N 3.49Å; W160-E527 PolarHBondContact NE1-OE2 2.97Å; W160-E527 VanDerWaalsContact NE1-OE2 3.11Å; W160-L530 HydrophobicContact CB-CD1 4.05Å; W160-I595 HydrophobicContact CE3-CB 4.48Å; W160-I595 HydrophobicContact CE3-CD1 4.3Å; W160-I595 HydrophobicContact CH2-CG2 4.49Å; W160-I595 HydrophobicContact CZ3-CB 4.41Å; W160-I595 HydrophobicContact CZ3-CD1 4.25Å; W160-I595 HydrophobicContact CZ3-CG2 4.14Å; W160-L631 HydrophobicContact CZ3-CD2 4.41Å; W160-I634 HydrophobicContact CH2-CD1 4.1Å; W160-V636 HydrophobicContact CH2-CG2 4.03Å |
| 161 | L | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59.8 | -44.9 | 176.2 | 171.9 | 62.4 | 0 | 0 | 0 | 111.2 | W157 T158 Q159 L163 K164 L165 W581 I627 F630 L631 | W157-L161 WeakPolarHBondContact O-CB 3.28Å; W157-L161 PolarHBondContact O-N 2.75Å; T158-L161 WeakPolarHBondContact O-CB 3.36Å; T158-L161 PolarHBondContact O-N 2.7Å; Q159-L161 VanDerWaalsContact C-N 3.33Å; Q159-L161 PolarHBondContact O-N 3Å; L161-L163 VanDerWaalsContact C-N 3.31Å; L161-L163 PolarHBondContact O-N 3.49Å; L161-K164 PolarHBondContact O-N 2.88Å; L161-L165 HydrophobicContact CD1-CD1 4.17Å; L161-L165 HydrophobicContact CD1-CG 4.42Å; L161-L165 HydrophobicContact CG-CD1 4.11Å; L161-L165 WeakPolarHBondContact O-CG 3.28Å; L161-L165 PolarHBondContact O-N 2.96Å; L161-W581 HydrophobicContact CD2-CG 4.33Å; L161-I627 HydrophobicContact CD1-CG2 4.31Å; L161-I627 HydrophobicContact CD2-CD1 4.09Å; L161-I627 HydrophobicContact CD2-CG1 4.48Å; L161-I627 HydrophobicContact CD2-CG2 3.82Å; L161-F630 HydrophobicContact CD1-CD1 3.92Å; L161-F630 HydrophobicContact CD1-CE1 3.94Å; L161-L631 HydrophobicContact CD1-CD2 3.96Å; L161-L631 HydrophobicContact CD1-CG 4.49Å |
| 162 | F | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -56.9 | -45.8 | 173.2 | 178.1 | -77.5 | 0 | 0 | 0 | 111.1 | T158 Q159 W160 K164 L165 Y166 A171 W214 F216 I502 I512 P513 I514 L573 | T158-F162 PolarHBondContact O-N 3.01Å; Q159-F162 WeakPolarHBondContact O-CB 3.34Å; Q159-F162 PolarHBondContact O-N 3.26Å; W160-F162 VanDerWaalsContact C-N 3.35Å; W160-F162 PolarHBondContact O-N 2.77Å; F162-K164 VanDerWaalsContact C-N 3.34Å; F162-K164 PolarHBondContact O-N 3.26Å; F162-L165 PolarHBondContact O-N 3.49Å; F162-Y166 WeakPolarHBondContact O-CB 3.21Å; F162-Y166 PolarHBondContact O-N 3.3Å; F162-A171 HydrophobicContact CE2-CB 4.15Å; F162-A171 HydrophobicContact CZ-CB 4.2Å; F162-W214 HydrophobicContact CE2-CD2 4.42Å; F162-W214 HydrophobicContact CE2-CE3 4.18Å; F162-W214 HydrophobicContact CZ-CD2 4.01Å; F162-W214 AromaticContact CZ-CE3 3.63Å; F162-W214 HydrophobicContact CZ-CE3 3.63Å; F162-W214 HydrophobicContact CZ-CH2 4.37Å; F162-W214 AromaticContact CZ-CZ3 3.82Å; F162-W214 HydrophobicContact CZ-CZ3 3.82Å; F162-F216 AromaticContact CD2-CE1 3.62Å; F162-F216 HydrophobicContact CD2-CE1 3.62Å; F162-F216 AromaticContact CD2-CZ 3.89Å; F162-F216 HydrophobicContact CD2-CZ 3.89Å; F162-F216 HydrophobicContact CE2-CE1 4.06Å; F162-F216 HydrophobicContact CG-CE1 4.46Å; F162-I502 HydrophobicContact CD2-CD1 3.89Å; F162-I502 HydrophobicContact CE2-CD1 3.57Å; F162-I512 HydrophobicContact CD2-CG2 4.47Å; F162-I512 HydrophobicContact CE1-CG2 3.96Å; F162-I512 HydrophobicContact CE2-CG2 3.8Å; F162-I512 HydrophobicContact CZ-CG2 3.52Å; F162-P513 HydrophobicContact CB-CG 4.25Å; F162-P513 HydrophobicContact CD1-CG 3.64Å; F162-P513 HydrophobicContact CE1-CG 4.37Å; F162-P513 HydrophobicContact CG-CG 4.18Å; F162-I514 HydrophobicContact CE1-CD1 3.93Å; F162-I514 HydrophobicContact CE1-CG1 3.63Å; F162-I514 HydrophobicContact CZ-CG1 4Å; F162-L573 HydrophobicContact CD2-CD2 3.81Å; F162-L573 HydrophobicContact CE2-CD2 4.21Å |
| 163 | L | 98.5 | Very high | 96.3 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.5 | -41.1 | 178.7 | -67.5 | -175.1 | 0 | 0 | 0 | 112 | Q159 W160 L161 Y166 Q167 P513 P524 V525 E527 L530 | Q159-L163 WeakPolarHBondContact O-CG 3.44Å; Q159-L163 PolarHBondContact O-N 3.45Å; W160-L163 WeakPolarHBondContact O-CB 3.31Å; W160-L163 PolarHBondContact O-N 3.12Å; W160-L163 VanDerWaalsContact O-N 3.11Å; L161-L163 VanDerWaalsContact C-N 3.31Å; L161-L163 PolarHBondContact O-N 3.49Å; L163-Y166 PolarHBondContact O-N 2.72Å; L163-Q167 WeakPolarHBondContact O-CB 3.23Å; L163-Q167 WeakPolarHBondContact O-CG 3.27Å; L163-Q167 PolarHBondContact O-N 3.19Å; L163-P513 HydrophobicContact CD2-CB 4.07Å; L163-P513 HydrophobicContact CD2-CG 3.71Å; L163-P513 HydrophobicContact CG-CB 4.34Å; L163-P513 HydrophobicContact CG-CG 3.89Å; L163-P524 HydrophobicContact CD2-CB 3.55Å; L163-V525 VanDerWaalsContact CD1-O 3.22Å; L163-V525 WeakPolarHBondContact CD1-O 3.17Å; L163-E527 HydrophobicContact CD1-CG 3.89Å; L163-L530 HydrophobicContact CD1-CD1 3.86Å; L163-L530 HydrophobicContact CD1-CD2 4.43Å; L163-L530 HydrophobicContact CD1-CG 4.42Å |
| 164 | K | 98.3 | Very high | 95.8 | Very high | 40 Ų | 40 | 26.6 Ų | 26.6 | 17% | 0.174 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64.9 | -41 | 175.9 | -62.1 | -47.3 | 178.2 | -171.6 | 0 | 112.3 | W160 L161 F162 S168 E527 F630 I634 | W160-K164 HydrophobicContact CD2-CG 4.06Å; W160-K164 HydrophobicContact CE3-CG 4.18Å; W160-K164 HydrophobicContact CH2-CG 3.85Å; W160-K164 HydrophobicContact CZ2-CD 4.12Å; W160-K164 HydrophobicContact CZ2-CG 3.74Å; W160-K164 HydrophobicContact CZ3-CG 4.07Å; W160-K164 WeakPolarHBondContact O-CG 3.44Å; W160-K164 PolarHBondContact O-N 3.49Å; L161-K164 PolarHBondContact O-N 2.88Å; F162-K164 VanDerWaalsContact C-N 3.34Å; F162-K164 PolarHBondContact O-N 3.26Å; K164-S168 WeakPolarHBondContact O-CB 3.3Å; K164-S168 PolarHBondContact O-N 3.39Å; K164-S168 VanDerWaalsContact O-N 3.1Å; K164-S168 PolarHBondContact O-OG 3.36Å; K164-E527 IonicContact NZ-OE1 3.57Å; K164-E527 PolarHBondContact NZ-OE1 3.21Å; K164-E527 IonicContact NZ-OE2 2.68Å; K164-E527 PolarHBondContact NZ-OE2 3.38Å; K164-F630 HydrophobicContact CB-CE1 3.98Å; K164-F630 HydrophobicContact CB-CZ 3.93Å; K164-I634 HydrophobicContact CB-CD1 4.37Å; K164-I634 HydrophobicContact CG-CD1 4.4Å |
| 165 | L | 98.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.6 | -44.2 | 173.4 | -73.9 | 163.3 | 0 | 0 | 0 | 111 | L161 F162 S168 G169 M170 A171 F216 F626 I627 F630 | L161-L165 HydrophobicContact CD1-CD1 4.17Å; L161-L165 HydrophobicContact CD1-CG 4.42Å; L161-L165 HydrophobicContact CG-CD1 4.11Å; L161-L165 WeakPolarHBondContact O-CG 3.28Å; L161-L165 PolarHBondContact O-N 2.96Å; F162-L165 PolarHBondContact O-N 3.49Å; L165-S168 CarbonylContact O-C 3.58Å; L165-S168 PolarHBondContact O-N 2.92Å; L165-G169 PolarHBondContact O-N 2.86Å; L165-M170 HydrophobicContact CB-CB 4.16Å; L165-M170 HydrophobicContact CD2-CB 3.63Å; L165-M170 HydrophobicContact CD2-CG 4.34Å; L165-M170 WeakPolarHBondContact O-CA 3.37Å; L165-M170 WeakPolarHBondContact O-CB 3.2Å; L165-M170 PolarHBondContact O-N 3.48Å; L165-A171 HydrophobicContact CB-CB 4.03Å; L165-A171 PolarHBondContact O-N 3.48Å; L165-A171 VanDerWaalsContact O-N 3.13Å; L165-F216 HydrophobicContact CB-CE1 4.32Å; L165-F216 HydrophobicContact CD1-CD1 4.03Å; L165-F216 HydrophobicContact CD1-CD2 4.02Å; L165-F216 HydrophobicContact CD1-CE1 3.66Å; L165-F216 HydrophobicContact CD1-CE2 3.67Å; L165-F216 HydrophobicContact CD1-CG 4.2Å; L165-F216 HydrophobicContact CD1-CZ 3.48Å; L165-F216 VanDerWaalsContact CD1-CZ 3.48Å; L165-F626 HydrophobicContact CD2-CZ 4.1Å; L165-I627 HydrophobicContact CD1-CD1 4.06Å; L165-F630 HydrophobicContact CD2-CB 4.43Å; L165-F630 HydrophobicContact CD2-CD1 3.68Å; L165-F630 HydrophobicContact CD2-CD2 3.6Å; L165-F630 HydrophobicContact CD2-CE1 3.76Å; L165-F630 HydrophobicContact CD2-CE2 3.7Å; L165-F630 HydrophobicContact CD2-CG 3.6Å; L165-F630 HydrophobicContact CD2-CZ 3.78Å; L165-F630 HydrophobicContact CG-CD1 4.02Å; L165-F630 HydrophobicContact CG-CE1 3.74Å; L165-F630 HydrophobicContact CG-CE2 4.36Å; L165-F630 HydrophobicContact CG-CG 4.45Å; L165-F630 HydrophobicContact CG-CZ 3.93Å |
| 166 | Y | 96.5 | Very high | 94.5 | Very high | 63 Ų | 63 | 26.9 Ų | 26.9 | 25% | 0.247 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.1 | -49.6 | 177.8 | -178.3 | -99.6 | 0 | 0 | 0 | 112.2 | F162 L163 S168 G169 A171 W214 I514 A522 P524 | F162-Y166 WeakPolarHBondContact O-CB 3.21Å; F162-Y166 PolarHBondContact O-N 3.3Å; L163-Y166 PolarHBondContact O-N 2.72Å; Y166-S168 PolarHBondContact O-N 3.38Å; Y166-G169 PolarHBondContact O-N 3.15Å; Y166-A171 WeakPolarHBondContact CD2-O 3.37Å; Y166-W214 HydrophobicContact CD2-CH2 4.22Å; Y166-W214 AromaticContact CD2-CZ3 3.8Å; Y166-W214 HydrophobicContact CD2-CZ3 3.8Å; Y166-W214 AromaticContact CE2-CH2 3.89Å; Y166-W214 HydrophobicContact CE2-CH2 3.89Å; Y166-W214 AromaticContact CE2-CZ3 3.82Å; Y166-W214 HydrophobicContact CE2-CZ3 3.82Å; Y166-I514 HydrophobicContact CD1-CD1 4.4Å; Y166-I514 HydrophobicContact CD2-CD1 4.18Å; Y166-I514 HydrophobicContact CE1-CD1 4.34Å; Y166-I514 HydrophobicContact CE2-CD1 4.11Å; Y166-I514 HydrophobicContact CG-CD1 4.32Å; Y166-A522 PolarHBondContact OH-O 3.43Å; Y166-P524 HydrophobicContact CD1-CB 4.29Å; Y166-P524 HydrophobicContact CD1-CG 4.37Å; Y166-P524 HydrophobicContact CE1-CB 4.42Å; Y166-P524 HydrophobicContact CE1-CG 4.17Å |
| 167 | Q | 94.8 | Very high | 93.8 | Very high | 109 Ų | 109 | 27.6 Ų | 27.6 | 51% | 0.509 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -58.5 | -31.1 | 176.7 | -72.1 | 166.2 | -0.9 | 0 | 0 | 112.1 | L163 G169 E527 | L163-Q167 WeakPolarHBondContact O-CB 3.23Å; L163-Q167 WeakPolarHBondContact O-CG 3.27Å; L163-Q167 PolarHBondContact O-N 3.19Å; Q167-G169 VanDerWaalsContact C-N 3.34Å; Q167-E527 PolarHBondContact NE2-OE1 2.97Å |
| 168 | S | 93.4 | Very high | 93.2 | Very high | 62 Ų | 62 | 27.1 Ų | 27.1 | 43% | 0.434 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | 3.2 | 177.6 | -52.3 | 0 | 0 | 0 | 0 | 113.9 | K164 L165 Y166 M170 | K164-S168 WeakPolarHBondContact O-CB 3.3Å; K164-S168 PolarHBondContact O-N 3.39Å; K164-S168 VanDerWaalsContact O-N 3.1Å; K164-S168 PolarHBondContact O-OG 3.36Å; L165-S168 CarbonylContact O-C 3.58Å; L165-S168 PolarHBondContact O-N 2.92Å; Y166-S168 PolarHBondContact O-N 3.38Å; S168-M170 PolarHBondContact O-N 2.97Å |
| 169 | G | 90.6 | Very high | 92.7 | Very high | 37 Ų | 37 | 27.8 Ų | 27.8 | 38% | 0.381 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.7 | 12.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | L165 Y166 Q167 R217 | L165-G169 PolarHBondContact O-N 2.86Å; Y166-G169 PolarHBondContact O-N 3.15Å; Q167-G169 VanDerWaalsContact C-N 3.34Å; G169-R217 PolarHBondContact O-NE 3.18Å |
| 170 | M | 94.1 | Very high | 92.2 | Very high | 16 Ų | 16 | 29 Ų | 29 | 8% | 0.079 | 15% | 0.146 | C | C | . | . | trans | -90.2 | -23.2 | 179.5 | -63.7 | -64.4 | 169.4 | 0 | 0 | 112.6 | L165 S168 F216 R217 A220 Y221 F630 | L165-M170 HydrophobicContact CB-CB 4.16Å; L165-M170 HydrophobicContact CD2-CB 3.63Å; L165-M170 HydrophobicContact CD2-CG 4.34Å; L165-M170 WeakPolarHBondContact O-CA 3.37Å; L165-M170 WeakPolarHBondContact O-CB 3.2Å; L165-M170 PolarHBondContact O-N 3.48Å; S168-M170 PolarHBondContact O-N 2.97Å; M170-F216 CarbonylContact O-C 3.38Å; M170-F216 VanDerWaalsContact O-CA 3.31Å; M170-F216 WeakPolarHBondContact O-CA 3.1Å; M170-R217 PolarHBondContact O-N 2.95Å; M170-R217 HydrophobicContact SD-CB 4.02Å; M170-A220 HydrophobicContact CE-CB 4.11Å; M170-A220 HydrophobicContact SD-CB 3.96Å; M170-Y221 HydrophobicContact CE-CE2 3.97Å; M170-Y221 HydrophobicContact SD-CE2 4.07Å; M170-F630 HydrophobicContact CG-CE2 4.48Å | ||
| 171 | A | 95.1 | Very high | 91.8 | Very high | 3 Ų | 3 | 27.3 Ų | 27.3 | 3% | 0.025 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 128.3 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | F162 L165 Y166 F215 F216 | F162-A171 HydrophobicContact CE2-CB 4.15Å; F162-A171 HydrophobicContact CZ-CB 4.2Å; L165-A171 HydrophobicContact CB-CB 4.03Å; L165-A171 PolarHBondContact O-N 3.48Å; L165-A171 VanDerWaalsContact O-N 3.13Å; Y166-A171 WeakPolarHBondContact CD2-O 3.37Å; A171-F215 WeakPolarHBondContact CA-O 3.26Å; A171-F216 HydrophobicContact CB-CD1 3.74Å; A171-F216 HydrophobicContact CB-CE1 3.71Å |
| 172 | Y | 91.3 | Very high | 91.4 | Very high | 28 Ų | 28 | 29.2 Ų | 29.2 | 11% | 0.11 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 158.5 | -176 | 68 | -89.2 | 0 | 0 | 0 | 112.3 | R174 W214 F215 R217 D499 | Y172-R174 HydrophobicContact CD2-CB 4.47Å; Y172-R174 HydrophobicContact CD2-CG 4.17Å; Y172-R174 HydrophobicContact CE2-CB 4.49Å; Y172-R174 HydrophobicContact CE2-CG 3.77Å; Y172-W214 CarbonylContact O-C 3.57Å; Y172-W214 WeakPolarHBondContact O-CA 3.11Å; Y172-F215 HydrophobicContact CD1-CB 4.29Å; Y172-F215 HydrophobicContact CD2-CB 4.43Å; Y172-F215 HydrophobicContact CE1-CB 3.78Å; Y172-F215 HydrophobicContact CE2-CB 3.92Å; Y172-F215 HydrophobicContact CE2-CD2 4.2Å; Y172-F215 HydrophobicContact CE2-CG 4.28Å; Y172-F215 PolarHBondContact N-O 2.89Å; Y172-F215 PolarHBondContact O-N 2.97Å; Y172-R217 HydrophobicContact CD1-CB 4.31Å; Y172-R217 HydrophobicContact CE1-CB 3.92Å; Y172-R217 HydrophobicContact CE1-CG 4.24Å; Y172-D499 HydrophobicContact CE1-CB 4.42Å; Y172-D499 WeakPolarHBondContact OH-CB 3.3Å; Y172-D499 PolarHBondContact OH-OD2 2.82Å |
| 173 | H | 90.5 | Very high | 90.9 | Very high | 56 Ų | 56 | 33.3 Ų | 33.3 | 26% | 0.259 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 125.7 | -176 | -169.7 | -130.4 | 0 | 0 | 0 | 110.5 | R212 Q213 W214 | H173-R212 VanDerWaalsContact CE1-CD 3.5Å; H173-R212 WeakPolarHBondContact CE1-CD 3.49Å; H173-R212 VanDerWaalsContact CE1-CG 3.45Å; H173-R212 WeakPolarHBondContact CE1-CG 3.46Å; H173-Q213 WeakPolarHBondContact CA-O 3.47Å; H173-Q213 PolarHBondContact CD2-O 3.11Å; H173-Q213 VanDerWaalsContact CD2-O 3.27Å; H173-W214 HydrophobicContact CB-CD2 3.91Å; H173-W214 HydrophobicContact CB-CE3 3.94Å; H173-W214 HydrophobicContact CB-CH2 3.93Å; H173-W214 HydrophobicContact CB-CZ2 3.87Å; H173-W214 HydrophobicContact CB-CZ3 3.97Å; H173-W214 AromaticContact CD2-CD1 3.55Å; H173-W214 AromaticContact CD2-CD2 3.91Å; H173-W214 AromaticContact CD2-CE2 3.69Å; H173-W214 AromaticContact CD2-CG 3.82Å; H173-W214 AromaticContact CD2-NE1 3.45Å; H173-W214 PolarHBondContact CD2-NE1 3.12Å; H173-W214 AromaticContact CG-CE2 3.91Å; H173-W214 AromaticContact NE2-NE1 3.8Å |
| 174 | R | 85.9 | Confident | 90.2 | Very high | 35 Ų | 35 | 33.3 Ų | 33.3 | 13% | 0.132 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 158.2 | -178.9 | 67.3 | 163.8 | 175.3 | 138.2 | -2.3 | 112.9 | Y172 R212 Q213 F215 | Y172-R174 HydrophobicContact CD2-CB 4.47Å; Y172-R174 HydrophobicContact CD2-CG 4.17Å; Y172-R174 HydrophobicContact CE2-CB 4.49Å; Y172-R174 HydrophobicContact CE2-CG 3.77Å; R174-R212 WeakPolarHBondContact O-CA 3.39Å; R174-Q213 PolarHBondContact N-O 3.26Å; R174-Q213 PolarHBondContact O-N 2.68Å; R174-F215 HydrophobicContact CG-CD2 3.86Å; R174-F215 HydrophobicContact CG-CE2 3.78Å |
| 175 | P | 85.1 | Confident | 89.6 | Confident | 11 Ų | 11 | 35.4 Ų | 35.4 | 7% | 0.071 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 135.8 | 168.6 | 31.1 | -35.1 | 0 | 0 | 0 | 109.6 | L211 E289 V316 Y317 | P175-L211 WeakPolarHBondContact CA-O 3.39Å; P175-E289 WeakPolarHBondContact CD-OE1 3.45Å; P175-E289 WeakPolarHBondContact CG-OE1 3.19Å; P175-V316 HydrophobicContact CB-CB 4.47Å; P175-V316 HydrophobicContact CB-CG2 4Å; P175-V316 HydrophobicContact CG-CG2 4.15Å; P175-Y317 HydrophobicContact CG-CE1 4.44Å |
| 176 | A | 83 | Confident | 88.9 | Confident | 10 Ų | 10 | 35.4 Ų | 35.4 | 8% | 0.083 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 155.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | V178 L211 F215 | A176-V178 HydrophobicContact CB-CG1 4.15Å; A176-L211 PolarHBondContact N-O 2.88Å; A176-L211 PolarHBondContact O-N 3.5Å; A176-F215 HydrophobicContact CB-CE2 4.16Å; A176-F215 HydrophobicContact CB-CZ 3.73Å |
| 177 | Y | 83.6 | Confident | 88.4 | Confident | 63 Ų | 63 | 32.4 Ų | 32.4 | 25% | 0.247 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 125.4 | 159.6 | -83.9 | -75.6 | 0 | 0 | 0 | 107.8 | R208 R209 P210 D314 S315 V316 | Y177-R208 HydrophobicContact CD1-CB 4.23Å; Y177-R208 PolarHBondContact O-NH1 2.52Å; Y177-R208 PolarHBondContact O-NH2 2.96Å; Y177-R209 WeakPolarHBondContact CA-O 3.5Å; Y177-P210 HydrophobicContact CD1-CB 4.26Å; Y177-P210 HydrophobicContact CE1-CB 3.98Å; Y177-P210 HydrophobicContact CE1-CG 4.21Å; Y177-D314 WeakPolarHBondContact CD2-O 3.14Å; Y177-S315 VanDerWaalsContact CE2-C 3.46Å; Y177-V316 HydrophobicContact CD2-CG1 3.62Å; Y177-V316 HydrophobicContact CE2-CG1 4Å; Y177-V316 HydrophobicContact CG-CG1 4.1Å; Y177-V316 VanDerWaalsContact N-CG1 3.29Å |
| 178 | V | 85.3 | Confident | 87.8 | Confident | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.006 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 152.5 | -175 | -55.1 | 0 | 0 | 0 | 0 | 109.5 | A176 W180 V187 R208 R209 L211 Q213 L501 | A176-V178 HydrophobicContact CB-CG1 4.15Å; V178-W180 PolarHBondContact O-N 2.75Å; V178-V187 HydrophobicContact CB-CG1 3.73Å; V178-V187 HydrophobicContact CB-CG2 4.19Å; V178-V187 HydrophobicContact CG1-CG1 4.43Å; V178-V187 HydrophobicContact CG2-CB 4.4Å; V178-V187 HydrophobicContact CG2-CG1 3.97Å; V178-V187 HydrophobicContact CG2-CG2 3.48Å; V178-V187 VanDerWaalsContact CG2-CG2 3.48Å; V178-R208 WeakPolarHBondContact O-CA 3.36Å; V178-R209 WeakPolarHBondContact CG2-O 3.37Å; V178-R209 PolarHBondContact N-O 2.65Å; V178-R209 PolarHBondContact O-N 2.93Å; V178-L211 HydrophobicContact CG2-CB 3.89Å; V178-L211 HydrophobicContact CG2-CD1 3.74Å; V178-L211 HydrophobicContact CG2-CG 4.08Å; V178-Q213 HydrophobicContact CG1-CB 4.5Å; V178-Q213 HydrophobicContact CG1-CG 3.92Å; V178-L501 HydrophobicContact CB-CD1 3.85Å; V178-L501 HydrophobicContact CG1-CD1 3.5Å |
| 179 | N | 87.8 | Confident | 87 | Confident | 13 Ų | 13 | 24.3 Ų | 24.3 | 7% | 0.07 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 119.2 | 178.8 | -48.5 | -54.8 | 0 | 0 | 0 | 107.9 | V187 L188 D190 I193 V206 R208 | N179-V187 CarbonylContact O-C 3.53Å; N179-V187 VanDerWaalsContact O-CA 3.3Å; N179-V187 WeakPolarHBondContact O-CA 3.47Å; N179-L188 PolarHBondContact O-N 3.4Å; N179-D190 PolarHBondContact ND2-OD1 3.08Å; N179-I193 HydrophobicContact CB-CD1 3.34Å; N179-I193 HydrophobicContact CB-CG1 4.4Å; N179-I193 WeakPolarHBondContact ND2-CD1 3.41Å; N179-V206 HydrophobicContact CB-CB 4.39Å; N179-V206 HydrophobicContact CB-CG1 4.38Å; N179-R208 WeakPolarHBondContact OD1-CD 3.41Å; N179-R208 PolarHBondContact OD1-NH1 3.27Å |
| 180 | W | 89.3 | Confident | 86.4 | Confident | 25 Ų | 25 | 25.4 Ų | 25.4 | 10% | 0.095 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 123.3 | -176.9 | 179.7 | -94.4 | 0 | 0 | 0 | 109.7 | V178 P182 Q185 T186 V187 V206 E207 R209 L211 | V178-W180 PolarHBondContact O-N 2.75Å; W180-P182 WeakPolarHBondContact O-CD 3.35Å; W180-Q185 HydrophobicContact CH2-CB 4.33Å; W180-Q185 VanDerWaalsContact CH2-O 3.25Å; W180-Q185 WeakPolarHBondContact CH2-O 3.28Å; W180-Q185 HydrophobicContact CZ2-CB 3.72Å; W180-Q185 HydrophobicContact CZ2-CG 4.41Å; W180-T186 VanDerWaalsContact CE3-C 3.47Å; W180-V187 HydrophobicContact CE3-CG2 3.82Å; W180-V187 HydrophobicContact CZ3-CG2 4.13Å; W180-V206 WeakPolarHBondContact O-CA 2.93Å; W180-E207 HydrophobicContact CB-CB 4.36Å; W180-E207 PolarHBondContact N-O 3.02Å; W180-E207 PolarHBondContact O-N 3.31Å; W180-R209 HydrophobicContact CB-CB 4.35Å; W180-R209 HydrophobicContact CB-CG 3.88Å; W180-R209 VanDerWaalsContact CD1-NE 3.26Å; W180-R209 HydrophobicContact CG-CG 4.17Å; W180-L211 HydrophobicContact CE3-CD1 4.38Å; W180-L211 HydrophobicContact CZ3-CD1 4.45Å |
| 181 | D | 89.5 | Confident | 85.6 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 114.3 | 170.1 | -173.4 | -36.9 | 0 | 0 | 0 | 109.1 | I183 D184 Q185 T186 L188 S199 S202 | D181-I183 VanDerWaalsContact C-N 3.31Å; D181-I183 PolarHBondContact O-N 3.04Å; D181-I183 WeakPolarHBondContact OD1-CA 3.42Å; D181-I183 WeakPolarHBondContact OD1-CB 3.33Å; D181-I183 PolarHBondContact OD1-N 3.21Å; D181-D184 HydrophobicContact CB-CB 4.01Å; D181-D184 PolarHBondContact OD1-N 3.39Å; D181-Q185 WeakPolarHBondContact O-CA 3.3Å; D181-Q185 PolarHBondContact O-N 3.26Å; D181-T186 PolarHBondContact N-O 3.37Å; D181-T186 PolarHBondContact O-N 3.13Å; D181-L188 HydrophobicContact CB-CD1 3.9Å; D181-L188 HydrophobicContact CB-CG 4.23Å; D181-S199 WeakPolarHBondContact OD2-CB 3.48Å; D181-S199 PolarHBondContact OD2-OG 3.12Å; D181-S202 PolarHBondContact OD1-OG 3.22Å; D181-S202 VanDerWaalsContact OD1-OG 3.1Å; D181-S202 WeakPolarHBondContact OD2-CB 3.44Å; D181-S202 PolarHBondContact OD2-OG 2.82Å |
| 182 | P | 90.8 | Very high | 84.8 | Confident | 40 Ų | 40 | 25.4 Ų | 25.4 | 26% | 0.26 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -21.4 | -177.5 | 29.8 | -35.4 | 0 | 0 | 0 | 113.6 | W180 Q185 A204 | W180-P182 WeakPolarHBondContact O-CD 3.35Å; P182-Q185 WeakPolarHBondContact O-CG 3.42Å; P182-A204 HydrophobicContact CG-CB 3.99Å |
| 183 | I | 86.8 | Confident | 84.3 | Confident | 87 Ų | 87 | 25.7 Ų | 25.7 | 45% | 0.446 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -45.9 | 177.8 | -65.4 | -175.5 | 0 | 0 | 0 | 110.1 | D181 Q185 A204 | D181-I183 VanDerWaalsContact C-N 3.31Å; D181-I183 PolarHBondContact O-N 3.04Å; D181-I183 WeakPolarHBondContact OD1-CA 3.42Å; D181-I183 WeakPolarHBondContact OD1-CB 3.33Å; D181-I183 PolarHBondContact OD1-N 3.21Å; I183-Q185 VanDerWaalsContact C-N 3.3Å; I183-A204 HydrophobicContact CB-CB 4.41Å; I183-A204 HydrophobicContact CD1-CB 3.72Å; I183-A204 HydrophobicContact CG1-CB 3.8Å |
| 184 | D | 83.5 | Confident | 83.8 | Confident | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -16.2 | -179.6 | -69.3 | -3.8 | 0 | 0 | 0 | 112.2 | D181 T186 R201 R506 R543 | D181-D184 HydrophobicContact CB-CB 4.01Å; D181-D184 PolarHBondContact OD1-N 3.39Å; D184-T186 HydrophobicContact CB-CG2 3.85Å; D184-R201 IonicContact OD1-CZ 2.96Å; D184-R201 IonicContact OD1-NE 3.44Å; D184-R201 IonicContact OD1-NH2 3.83Å; D184-R201 PolarHBondContact OD1-NH2 3.25Å; D184-R201 IonicContact OD2-CZ 3.27Å; D184-R201 IonicContact OD2-NE 2.71Å; D184-R201 PolarHBondContact OD2-NE 2.95Å; D184-R201 IonicContact OD2-NH2 3.81Å; D184-R201 PolarHBondContact OD2-NH2 3.25Å; D184-R506 PolarHBondContact O-NH1 3.31Å; D184-R543 IonicContact OD1-NH1 3.17Å; D184-R543 PolarHBondContact OD1-NH1 3.13Å |
| 185 | Q | 87.4 | Confident | 83.5 | Confident | 84 Ų | 84 | 30.9 Ų | 30.9 | 39% | 0.393 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | 54.5 | -178 | -60.5 | -165.3 | 8.5 | 0 | 0 | 111.6 | W180 D181 P182 I183 R543 G544 | W180-Q185 HydrophobicContact CH2-CB 4.33Å; W180-Q185 VanDerWaalsContact CH2-O 3.25Å; W180-Q185 WeakPolarHBondContact CH2-O 3.28Å; W180-Q185 HydrophobicContact CZ2-CB 3.72Å; W180-Q185 HydrophobicContact CZ2-CG 4.41Å; D181-Q185 WeakPolarHBondContact O-CA 3.3Å; D181-Q185 PolarHBondContact O-N 3.26Å; P182-Q185 WeakPolarHBondContact O-CG 3.42Å; I183-Q185 VanDerWaalsContact C-N 3.3Å; Q185-R543 PolarHBondContact OE1-O 3.15Å; Q185-G544 VanDerWaalsContact OE1-CA 3.23Å |
| 186 | T | 83.4 | Confident | 83.3 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 155.5 | -179.2 | -171.1 | 0 | 0 | 0 | 0 | 111 | L105 W180 D181 D184 L188 | L105-T186 HydrophobicContact CD1-CG2 4.05Å; L105-T186 HydrophobicContact CD2-CG2 3.93Å; W180-T186 VanDerWaalsContact CE3-C 3.47Å; D181-T186 PolarHBondContact N-O 3.37Å; D181-T186 PolarHBondContact O-N 3.13Å; D184-T186 HydrophobicContact CB-CG2 3.85Å; T186-L188 HydrophobicContact CG2-CD2 4.15Å |
| 187 | V | 84.7 | Confident | 83.3 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 143.8 | 167.7 | 177.2 | 0 | 0 | 0 | 0 | 111.3 | V178 N179 W180 L211 L501 R504 | V178-V187 HydrophobicContact CB-CG1 3.73Å; V178-V187 HydrophobicContact CB-CG2 4.19Å; V178-V187 HydrophobicContact CG1-CG1 4.43Å; V178-V187 HydrophobicContact CG2-CB 4.4Å; V178-V187 HydrophobicContact CG2-CG1 3.97Å; V178-V187 HydrophobicContact CG2-CG2 3.48Å; V178-V187 VanDerWaalsContact CG2-CG2 3.48Å; N179-V187 CarbonylContact O-C 3.53Å; N179-V187 VanDerWaalsContact O-CA 3.3Å; N179-V187 WeakPolarHBondContact O-CA 3.47Å; W180-V187 HydrophobicContact CE3-CG2 3.82Å; W180-V187 HydrophobicContact CZ3-CG2 4.13Å; V187-L211 HydrophobicContact CG2-CD1 3.73Å; V187-L501 HydrophobicContact CG1-CD1 3.57Å; V187-L501 HydrophobicContact CG1-CD2 3.5Å; V187-L501 VanDerWaalsContact CG1-CD2 3.5Å; V187-L501 HydrophobicContact CG1-CG 4.22Å; V187-R504 VanDerWaalsContact O-CD 3.31Å; V187-R504 WeakPolarHBondContact O-CD 3.48Å |
| 188 | L | 82.1 | Confident | 83.4 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 143.6 | 174.7 | -61 | -179.5 | 0 | 0 | 0 | 111 | L105 N179 D181 T186 L192 V206 | L105-L188 HydrophobicContact CD1-CD2 4.02Å; N179-L188 PolarHBondContact O-N 3.4Å; D181-L188 HydrophobicContact CB-CD1 3.9Å; D181-L188 HydrophobicContact CB-CG 4.23Å; T186-L188 HydrophobicContact CG2-CD2 4.15Å; L188-L192 HydrophobicContact CB-CB 4.23Å; L188-L192 HydrophobicContact CD2-CD1 4.08Å; L188-V206 HydrophobicContact CD1-CG1 4.03Å |
| 189 | A | 77.5 | Confident | 83.3 | Confident | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.008 | 20% | 0.204 | C | C | . | . | trans | -71.1 | 160.6 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | E191 L192 | A189-E191 VanDerWaalsContact C-N 3.26Å; A189-E191 WeakPolarHBondContact CB-OE2 3.4Å; A189-E191 PolarHBondContact O-N 3.01Å; A189-L192 WeakPolarHBondContact O-CB 3.29Å; A189-L192 PolarHBondContact O-N 2.56Å | ||
| 190 | D | 78.2 | Confident | 82.7 | Confident | 59 Ų | 59 | 40.7 Ų | 40.7 | 32% | 0.316 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -61.8 | -34.9 | -175.5 | -69.9 | -31.1 | 0 | 0 | 0 | 112.2 | N179 L192 I193 T498 | N179-D190 PolarHBondContact ND2-OD1 3.08Å; D190-L192 PolarHBondContact O-N 3.2Å; D190-I193 PolarHBondContact O-N 2.81Å; D190-T498 WeakPolarHBondContact OD2-CB 3.24Å; D190-T498 WeakPolarHBondContact OD2-CG2 3.33Å; D190-T498 PolarHBondContact OD2-OG1 3.26Å |
| 191 | E | 76.1 | Confident | 82.2 | Confident | 13 Ų | 13 | 43.1 Ų | 43.1 | 6% | 0.061 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -65.5 | -19 | 178.9 | -56.9 | 75.5 | -176.1 | 0 | 0 | 112.7 | A189 I193 W247 R619 Y623 | A189-E191 VanDerWaalsContact C-N 3.26Å; A189-E191 WeakPolarHBondContact CB-OE2 3.4Å; A189-E191 PolarHBondContact O-N 3.01Å; E191-I193 VanDerWaalsContact C-N 3.3Å; E191-W247 HydrophobicContact CG-CH2 3.84Å; E191-W247 HydrophobicContact CG-CZ2 3.49Å; E191-W247 VanDerWaalsContact CG-CZ2 3.49Å; E191-W247 VanDerWaalsContact OE1-CZ2 3.31Å; E191-W247 WeakPolarHBondContact OE1-CZ2 3.49Å; E191-R619 HydrophobicContact CB-CG 3.92Å; E191-R619 PolarHBondContact O-NE 2.94Å; E191-R619 PolarHBondContact O-NH2 2.89Å; E191-Y623 PolarHBondContact OE1-OH 3.01Å; E191-Y623 PolarHBondContact OE2-OH 2.74Å |
| 192 | L | 79.2 | Confident | 81.8 | Confident | 6 Ų | 6 | 44.6 Ų | 44.6 | 3% | 0.031 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -89.9 | 6.2 | -179.5 | -69.1 | -176.2 | 0 | 0 | 0 | 113.3 | L188 A189 D190 W200 F576 | L188-L192 HydrophobicContact CB-CB 4.23Å; L188-L192 HydrophobicContact CD2-CD1 4.08Å; A189-L192 WeakPolarHBondContact O-CB 3.29Å; A189-L192 PolarHBondContact O-N 2.56Å; D190-L192 PolarHBondContact O-N 3.2Å; L192-W200 HydrophobicContact CB-CG 4.46Å; L192-W200 HydrophobicContact CD2-CD2 4.36Å; L192-W200 HydrophobicContact CD2-CG 4.09Å; L192-W200 VanDerWaalsContact O-CB 3.32Å; L192-W200 WeakPolarHBondContact O-CB 3.32Å; L192-W200 VanDerWaalsContact O-CD1 3.25Å; L192-W200 PolarHBondContact O-N 2.97Å; L192-F576 HydrophobicContact CD1-CE2 4.39Å; L192-F576 HydrophobicContact CD2-CE2 3.79Å; L192-F576 HydrophobicContact CD2-CZ 4.3Å; L192-F576 HydrophobicContact CG-CE2 4.43Å |
| 193 | I | 81 | Confident | 81.4 | Confident | 34 Ų | 34 | 45.1 Ų | 45.1 | 17% | 0.174 | 25% | 0.251 | C | S | . | . | B | Isolated β-bridge | trans | -112.7 | 134.8 | 179.3 | -58.2 | 160.3 | 0 | 0 | 0 | 108 | N179 D190 E191 C198 V206 | N179-I193 HydrophobicContact CB-CD1 3.34Å; N179-I193 HydrophobicContact CB-CG1 4.4Å; N179-I193 WeakPolarHBondContact ND2-CD1 3.41Å; D190-I193 PolarHBondContact O-N 2.81Å; E191-I193 VanDerWaalsContact C-N 3.3Å; I193-C198 WeakPolarHBondContact CA-O 3.44Å; I193-V206 HydrophobicContact CD1-CG2 4.09Å; I193-V206 HydrophobicContact CG1-CG1 4.49Å; I193-V206 HydrophobicContact CG1-CG2 4.11Å; I193-V206 HydrophobicContact CG2-CG2 3.87Å |
| 194 | D | 80.6 | Confident | 81.4 | Confident | 70 Ų | 70 | 41.6 Ų | 41.6 | 37% | 0.374 | 24% | 0.235 | S | C | . | . | trans | -79.8 | 177.4 | 176.7 | 69.6 | 22.4 | 0 | 0 | 0 | 112.2 | Q196 G197 C198 | D194-Q196 PolarHBondContact O-N 2.95Å; D194-Q196 VanDerWaalsContact O-N 3.12Å; D194-Q196 WeakPolarHBondContact OD1-CA 3.28Å; D194-Q196 WeakPolarHBondContact OD1-CB 3.09Å; D194-Q196 PolarHBondContact OD1-N 2.93Å; D194-G197 PolarHBondContact O-N 3.22Å; D194-G197 PolarHBondContact OD1-N 3.44Å; D194-G197 VanDerWaalsContact OD1-N 3.1Å; D194-C198 PolarHBondContact N-O 3.04Å; D194-C198 PolarHBondContact OD1-N 2.75Å; D194-C198 WeakPolarHBondContact OD2-CB 3.23Å | ||
| 195 | S | 78.5 | Confident | 81.7 | Confident | 130 Ų | 130 | 47.4 Ų | 47.4 | 91% | 0.909 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -14.5 | 179.5 | 55.5 | 0 | 0 | 0 | 0 | 114.5 | ||
| 196 | Q | 80.5 | Confident | 81.8 | Confident | 156 Ų | 156 | 44.7 Ų | 44.7 | 73% | 0.729 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | -1.2 | 177.4 | -61.7 | -170 | -10.4 | 0 | 0 | 112.4 | D194 | D194-Q196 PolarHBondContact O-N 2.95Å; D194-Q196 VanDerWaalsContact O-N 3.12Å; D194-Q196 WeakPolarHBondContact OD1-CA 3.28Å; D194-Q196 WeakPolarHBondContact OD1-CB 3.09Å; D194-Q196 PolarHBondContact OD1-N 2.93Å |
| 197 | G | 83.6 | Confident | 82.1 | Confident | 24 Ų | 24 | 48.7 Ų | 48.7 | 25% | 0.247 | 27% | 0.268 | C | S | . | . | S | Bend | trans | 77.5 | 28.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | D194 V206 | D194-G197 PolarHBondContact O-N 3.22Å; D194-G197 PolarHBondContact OD1-N 3.44Å; D194-G197 VanDerWaalsContact OD1-N 3.1Å; G197-V206 WeakPolarHBondContact O-CG2 3.2Å; G197-V206 PolarHBondContact O-N 2.94Å |
| 198 | C | 86 | Confident | 82.1 | Confident | 22 Ų | 22 | 55 Ų | 55 | 15% | 0.149 | 29% | 0.291 | C | S | . | . | B | Isolated β-bridge | trans | -107.2 | 148.2 | 177.2 | -65.6 | 0 | 0 | 0 | 0 | 111.4 | I193 D194 W200 A204 | I193-C198 WeakPolarHBondContact CA-O 3.44Å; D194-C198 PolarHBondContact N-O 3.04Å; D194-C198 PolarHBondContact OD1-N 2.75Å; D194-C198 WeakPolarHBondContact OD2-CB 3.23Å; C198-W200 PolarHBondContact O-N 3.11Å; C198-A204 CarbonylContact C-O 3.42Å; C198-A204 VanDerWaalsContact CA-O 3.27Å; C198-A204 WeakPolarHBondContact CA-O 3.36Å |
| 199 | S | 82.9 | Confident | 82.2 | Confident | 3 Ų | 3 | 59.6 Ų | 59.6 | 2% | 0.021 | 31% | 0.309 | C | S | . | . | B | Isolated β-bridge | trans | -60 | 130.9 | 172.2 | 168.4 | 0 | 0 | 0 | 0 | 110.5 | D181 R201 S202 G203 A204 | D181-S199 WeakPolarHBondContact OD2-CB 3.48Å; D181-S199 PolarHBondContact OD2-OG 3.12Å; S199-R201 PolarHBondContact O-N 3.2Å; S199-R201 PolarHBondContact OG-N 2.95Å; S199-S202 VanDerWaalsContact CB-OG 3.25Å; S199-S202 WeakPolarHBondContact CB-OG 3.44Å; S199-S202 PolarHBondContact OG-N 3.3Å; S199-S202 PolarHBondContact OG-OG 3.43Å; S199-G203 WeakPolarHBondContact O-CA 3.26Å; S199-G203 PolarHBondContact O-N 3.21Å; S199-A204 PolarHBondContact N-O 3.37Å |
| 200 | W | 75.7 | Confident | 82.5 | Confident | 100 Ų | 100 | 63.3 Ų | 63.3 | 38% | 0.379 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -20 | 178.4 | 74.2 | -74.5 | 0 | 0 | 0 | 114.5 | L192 C198 | L192-W200 HydrophobicContact CB-CG 4.46Å; L192-W200 HydrophobicContact CD2-CD2 4.36Å; L192-W200 HydrophobicContact CD2-CG 4.09Å; L192-W200 VanDerWaalsContact O-CB 3.32Å; L192-W200 WeakPolarHBondContact O-CB 3.32Å; L192-W200 VanDerWaalsContact O-CD1 3.25Å; L192-W200 PolarHBondContact O-N 2.97Å; C198-W200 PolarHBondContact O-N 3.11Å |
| 201 | R | 77.4 | Confident | 82.9 | Confident | 75 Ų | 75 | 63 Ų | 63 | 28% | 0.283 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.9 | -55.2 | -171.8 | -162.3 | -170 | 81.3 | 100.2 | 5.7 | 112.6 | N109 D184 S199 G203 | N109-R201 VanDerWaalsContact CG-CZ 3.46Å; N109-R201 PolarHBondContact ND2-NH1 3.35Å; N109-R201 PolarHBondContact ND2-NH2 3.35Å; D184-R201 IonicContact OD1-CZ 2.96Å; D184-R201 IonicContact OD1-NE 3.44Å; D184-R201 IonicContact OD1-NH2 3.83Å; D184-R201 PolarHBondContact OD1-NH2 3.25Å; D184-R201 IonicContact OD2-CZ 3.27Å; D184-R201 IonicContact OD2-NE 2.71Å; D184-R201 PolarHBondContact OD2-NE 2.95Å; D184-R201 IonicContact OD2-NH2 3.81Å; D184-R201 PolarHBondContact OD2-NH2 3.25Å; S199-R201 PolarHBondContact O-N 3.2Å; S199-R201 PolarHBondContact OG-N 2.95Å; R201-G203 VanDerWaalsContact C-N 3.34Å |
| 202 | S | 81.7 | Confident | 83.5 | Confident | 32 Ų | 32 | 65 Ų | 65 | 22% | 0.224 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -19.9 | -177.5 | 71.4 | 0 | 0 | 0 | 0 | 112.3 | D181 S199 A204 | D181-S202 PolarHBondContact OD1-OG 3.22Å; D181-S202 VanDerWaalsContact OD1-OG 3.1Å; D181-S202 WeakPolarHBondContact OD2-CB 3.44Å; D181-S202 PolarHBondContact OD2-OG 2.82Å; S199-S202 VanDerWaalsContact CB-OG 3.25Å; S199-S202 WeakPolarHBondContact CB-OG 3.44Å; S199-S202 PolarHBondContact OG-N 3.3Å; S199-S202 PolarHBondContact OG-OG 3.43Å; S202-A204 PolarHBondContact O-N 3.33Å; S202-A204 VanDerWaalsContact OG-CB 3.32Å; S202-A204 WeakPolarHBondContact OG-CB 3.29Å; S202-A204 PolarHBondContact OG-N 3.43Å; S202-A204 VanDerWaalsContact OG-N 3.13Å |
| 203 | G | 82 | Confident | 84.1 | Confident | 50 Ų | 50 | 65 Ų | 65 | 52% | 0.515 | 34% | 0.338 | S | S | . | . | trans | 70.4 | 1.3 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | S199 R201 | S199-G203 WeakPolarHBondContact O-CA 3.26Å; S199-G203 PolarHBondContact O-N 3.21Å; R201-G203 VanDerWaalsContact C-N 3.34Å | ||
| 204 | A | 87.6 | Confident | 84.7 | Confident | 13 Ų | 13 | 63.4 Ų | 63.4 | 11% | 0.107 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -69.1 | 142.1 | 178 | 0 | 0 | 0 | 0 | 0 | 111 | P182 I183 C198 S199 S202 V206 | P182-A204 HydrophobicContact CG-CB 3.99Å; I183-A204 HydrophobicContact CB-CB 4.41Å; I183-A204 HydrophobicContact CD1-CB 3.72Å; I183-A204 HydrophobicContact CG1-CB 3.8Å; C198-A204 CarbonylContact C-O 3.42Å; C198-A204 VanDerWaalsContact CA-O 3.27Å; C198-A204 WeakPolarHBondContact CA-O 3.36Å; S199-A204 PolarHBondContact N-O 3.37Å; S202-A204 PolarHBondContact O-N 3.33Å; S202-A204 VanDerWaalsContact OG-CB 3.32Å; S202-A204 WeakPolarHBondContact OG-CB 3.29Å; S202-A204 PolarHBondContact OG-N 3.43Å; S202-A204 VanDerWaalsContact OG-N 3.13Å; A204-V206 PolarHBondContact O-N 3.28Å |
| 205 | K | 89.3 | Confident | 85.3 | Confident | 124 Ų | 124 | 60.5 Ų | 60.5 | 54% | 0.539 | 31% | 0.313 | S | S | . | . | B | Isolated β-bridge | trans | -63.7 | 121.1 | 168 | -165.9 | 168.2 | -175.8 | 177 | 0 | 108.3 | N348 | K205-N348 PolarHBondContact NZ-OD1 2.92Å |
| 206 | V | 89.4 | Confident | 86.1 | Confident | 27 Ų | 27 | 54.3 Ų | 54.3 | 16% | 0.164 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -70.9 | 140.9 | -177.7 | -88.7 | 0 | 0 | 0 | 0 | 111 | N179 W180 L188 I193 G197 A204 | N179-V206 HydrophobicContact CB-CB 4.39Å; N179-V206 HydrophobicContact CB-CG1 4.38Å; W180-V206 WeakPolarHBondContact O-CA 2.93Å; L188-V206 HydrophobicContact CD1-CG1 4.03Å; I193-V206 HydrophobicContact CD1-CG2 4.09Å; I193-V206 HydrophobicContact CG1-CG1 4.49Å; I193-V206 HydrophobicContact CG1-CG2 4.11Å; I193-V206 HydrophobicContact CG2-CG2 3.87Å; G197-V206 WeakPolarHBondContact O-CG2 3.2Å; G197-V206 PolarHBondContact O-N 2.94Å; A204-V206 PolarHBondContact O-N 3.28Å |
| 207 | E | 90.5 | Very high | 86.8 | Confident | 83 Ų | 83 | 47.9 Ų | 47.9 | 39% | 0.388 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 152.5 | 172.6 | -64.8 | 173.7 | -177 | 0 | 0 | 110 | W180 R209 | W180-E207 HydrophobicContact CB-CB 4.36Å; W180-E207 PolarHBondContact N-O 3.02Å; W180-E207 PolarHBondContact O-N 3.31Å; E207-R209 IonicContact OE2-CZ 3.13Å; E207-R209 IonicContact OE2-NE 3.7Å; E207-R209 PolarHBondContact OE2-NE 3.49Å; E207-R209 VanDerWaalsContact OE2-NE 3.16Å; E207-R209 IonicContact OE2-NH2 3.84Å; E207-R209 PolarHBondContact OE2-NH2 2.58Å |
| 208 | R | 84 | Confident | 87.3 | Confident | 133 Ų | 133 | 46.8 Ų | 46.8 | 50% | 0.502 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 117.7 | 171.3 | -67 | -73.8 | -74.8 | -178.8 | -1.8 | 108.8 | Y177 V178 N179 | Y177-R208 HydrophobicContact CD1-CB 4.23Å; Y177-R208 PolarHBondContact O-NH1 2.52Å; Y177-R208 PolarHBondContact O-NH2 2.96Å; V178-R208 WeakPolarHBondContact O-CA 3.36Å; N179-R208 WeakPolarHBondContact OD1-CD 3.41Å; N179-R208 PolarHBondContact OD1-NH1 3.27Å |
| 209 | R | 84.5 | Confident | 87.6 | Confident | 96 Ų | 96 | 45.9 Ų | 45.9 | 36% | 0.362 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 138.2 | 177.5 | -66.2 | -170.5 | -178.1 | -170.3 | -1.3 | 111.1 | Y177 V178 W180 E207 L211 | Y177-R209 WeakPolarHBondContact CA-O 3.5Å; V178-R209 WeakPolarHBondContact CG2-O 3.37Å; V178-R209 PolarHBondContact N-O 2.65Å; V178-R209 PolarHBondContact O-N 2.93Å; W180-R209 HydrophobicContact CB-CB 4.35Å; W180-R209 HydrophobicContact CB-CG 3.88Å; W180-R209 VanDerWaalsContact CD1-NE 3.26Å; W180-R209 HydrophobicContact CG-CG 4.17Å; E207-R209 IonicContact OE2-CZ 3.13Å; E207-R209 IonicContact OE2-NE 3.7Å; E207-R209 PolarHBondContact OE2-NE 3.49Å; E207-R209 VanDerWaalsContact OE2-NE 3.16Å; E207-R209 IonicContact OE2-NH2 3.84Å; E207-R209 PolarHBondContact OE2-NH2 2.58Å; R209-L211 PolarHBondContact O-N 2.96Å |
| 210 | P | 84.6 | Confident | 88.1 | Confident | 80 Ų | 80 | 46.3 Ų | 46.3 | 52% | 0.519 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 114.6 | 173.2 | 30.7 | -30.6 | 0 | 0 | 0 | 109.2 | Y177 V316 | Y177-P210 HydrophobicContact CD1-CB 4.26Å; Y177-P210 HydrophobicContact CE1-CB 3.98Å; Y177-P210 HydrophobicContact CE1-CG 4.21Å; P210-V316 HydrophobicContact CB-CG1 4.38Å |
| 211 | L | 85.8 | Confident | 89.1 | Confident | 51 Ų | 51 | 42.6 Ų | 42.6 | 27% | 0.267 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 153.9 | 177.4 | -70.8 | 176 | 0 | 0 | 0 | 110.6 | P175 A176 V178 W180 V187 R209 Q213 | P175-L211 WeakPolarHBondContact CA-O 3.39Å; A176-L211 PolarHBondContact N-O 2.88Å; A176-L211 PolarHBondContact O-N 3.5Å; V178-L211 HydrophobicContact CG2-CB 3.89Å; V178-L211 HydrophobicContact CG2-CD1 3.74Å; V178-L211 HydrophobicContact CG2-CG 4.08Å; W180-L211 HydrophobicContact CE3-CD1 4.38Å; W180-L211 HydrophobicContact CZ3-CD1 4.45Å; V187-L211 HydrophobicContact CG2-CD1 3.73Å; R209-L211 PolarHBondContact O-N 2.96Å; L211-Q213 HydrophobicContact CB-CG 4.12Å |
| 212 | R | 88.4 | Confident | 89.9 | Confident | 56 Ų | 56 | 39.1 Ų | 39.1 | 21% | 0.211 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 119 | 171.6 | -160.4 | 176.3 | -87.9 | -112.1 | -2.7 | 108.5 | H173 R174 E289 | H173-R212 VanDerWaalsContact CE1-CD 3.5Å; H173-R212 WeakPolarHBondContact CE1-CD 3.49Å; H173-R212 VanDerWaalsContact CE1-CG 3.45Å; H173-R212 WeakPolarHBondContact CE1-CG 3.46Å; R174-R212 WeakPolarHBondContact O-CA 3.39Å; R212-E289 IonicContact CZ-OE1 2.8Å; R212-E289 VanDerWaalsContact CZ-OE1 3.28Å; R212-E289 IonicContact CZ-OE2 3.12Å; R212-E289 IonicContact NH1-OE1 3.34Å; R212-E289 PolarHBondContact NH1-OE1 2.97Å; R212-E289 IonicContact NH1-OE2 2.87Å; R212-E289 IonicContact NH2-OE1 3.16Å; R212-E289 PolarHBondContact NH2-OE1 3.36Å; R212-E289 IonicContact NH2-OE2 3.42Å; R212-E289 PolarHBondContact NH2-OE2 3.21Å |
| 213 | Q | 91.3 | Very high | 90.6 | Very high | 5 Ų | 5 | 42.1 Ų | 42.1 | 2% | 0.023 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 159.2 | -168 | -71.8 | -62.5 | -79.8 | 0 | 0 | 111.9 | H173 R174 V178 L211 F215 L501 S503 Q505 D571 | H173-Q213 WeakPolarHBondContact CA-O 3.47Å; H173-Q213 PolarHBondContact CD2-O 3.11Å; H173-Q213 VanDerWaalsContact CD2-O 3.27Å; R174-Q213 PolarHBondContact N-O 3.26Å; R174-Q213 PolarHBondContact O-N 2.68Å; V178-Q213 HydrophobicContact CG1-CB 4.5Å; V178-Q213 HydrophobicContact CG1-CG 3.92Å; L211-Q213 HydrophobicContact CB-CG 4.12Å; Q213-F215 HydrophobicContact CB-CE2 3.88Å; Q213-F215 HydrophobicContact CB-CZ 4.24Å; Q213-F215 WeakPolarHBondContact O-CD2 3.48Å; Q213-F215 WeakPolarHBondContact O-CE2 3.39Å; Q213-L501 HydrophobicContact CB-CD2 4.42Å; Q213-L501 HydrophobicContact CB-CG 4.32Å; Q213-L501 HydrophobicContact CG-CD2 4.49Å; Q213-S503 WeakPolarHBondContact CA-OG 3.23Å; Q213-S503 VanDerWaalsContact CB-OG 3.3Å; Q213-S503 WeakPolarHBondContact CB-OG 3.47Å; Q213-S503 VanDerWaalsContact OE1-CB 3.25Å; Q213-S503 PolarHBondContact OE1-O 2.95Å; Q213-S503 PolarHBondContact OE1-OG 3.34Å; Q213-Q505 VanDerWaalsContact CD-NE2 3.31Å; Q213-D571 PolarHBondContact NE2-OD2 3.29Å |
| 214 | W | 94.4 | Very high | 91.3 | Very high | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.008 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 139.9 | 175 | -71.4 | 92.9 | 0 | 0 | 0 | 111.2 | F162 Y166 Y172 H173 I502 S503 I512 I514 A522 E569 | F162-W214 HydrophobicContact CE2-CD2 4.42Å; F162-W214 HydrophobicContact CE2-CE3 4.18Å; F162-W214 HydrophobicContact CZ-CD2 4.01Å; F162-W214 AromaticContact CZ-CE3 3.63Å; F162-W214 HydrophobicContact CZ-CE3 3.63Å; F162-W214 HydrophobicContact CZ-CH2 4.37Å; F162-W214 AromaticContact CZ-CZ3 3.82Å; F162-W214 HydrophobicContact CZ-CZ3 3.82Å; Y166-W214 HydrophobicContact CD2-CH2 4.22Å; Y166-W214 AromaticContact CD2-CZ3 3.8Å; Y166-W214 HydrophobicContact CD2-CZ3 3.8Å; Y166-W214 AromaticContact CE2-CH2 3.89Å; Y166-W214 HydrophobicContact CE2-CH2 3.89Å; Y166-W214 AromaticContact CE2-CZ3 3.82Å; Y166-W214 HydrophobicContact CE2-CZ3 3.82Å; Y172-W214 CarbonylContact O-C 3.57Å; Y172-W214 WeakPolarHBondContact O-CA 3.11Å; H173-W214 HydrophobicContact CB-CD2 3.91Å; H173-W214 HydrophobicContact CB-CE3 3.94Å; H173-W214 HydrophobicContact CB-CH2 3.93Å; H173-W214 HydrophobicContact CB-CZ2 3.87Å; H173-W214 HydrophobicContact CB-CZ3 3.97Å; H173-W214 AromaticContact CD2-CD1 3.55Å; H173-W214 AromaticContact CD2-CD2 3.91Å; H173-W214 AromaticContact CD2-CE2 3.69Å; H173-W214 AromaticContact CD2-CG 3.82Å; H173-W214 AromaticContact CD2-NE1 3.45Å; H173-W214 PolarHBondContact CD2-NE1 3.12Å; H173-W214 AromaticContact CG-CE2 3.91Å; H173-W214 AromaticContact NE2-NE1 3.8Å; W214-I502 HydrophobicContact CB-CD1 3.78Å; W214-I502 HydrophobicContact CB-CG1 3.77Å; W214-I502 VanDerWaalsContact O-CG1 3.24Å; W214-I502 WeakPolarHBondContact O-CG1 3.4Å; W214-I502 PolarHBondContact O-N 3.37Å; W214-S503 PolarHBondContact N-OG 3.31Å; W214-I512 HydrophobicContact CB-CD1 4.39Å; W214-I512 HydrophobicContact CG-CD1 4.08Å; W214-I514 HydrophobicContact CH2-CB 4.41Å; W214-I514 HydrophobicContact CH2-CD1 3.86Å; W214-I514 HydrophobicContact CH2-CG1 3.66Å; W214-I514 HydrophobicContact CH2-CG2 4.18Å; W214-I514 HydrophobicContact CZ2-CB 4.02Å; W214-I514 HydrophobicContact CZ2-CD1 4.35Å; W214-I514 HydrophobicContact CZ2-CG1 3.68Å; W214-I514 HydrophobicContact CZ2-CG2 3.8Å; W214-I514 HydrophobicContact CZ3-CG1 4.44Å; W214-A522 HydrophobicContact CH2-CB 4.31Å; W214-E569 PolarHBondContact NE1-OE2 3.14Å |
| 215 | F | 93.5 | Very high | 91.7 | Very high | 8 Ų | 8 | 40.3 Ų | 40.3 | 4% | 0.035 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 143.3 | 179.7 | -64.9 | -94.5 | 0 | 0 | 0 | 110.7 | A171 Y172 R174 A176 Q213 D499 W500 L501 | A171-F215 WeakPolarHBondContact CA-O 3.26Å; Y172-F215 HydrophobicContact CD1-CB 4.29Å; Y172-F215 HydrophobicContact CD2-CB 4.43Å; Y172-F215 HydrophobicContact CE1-CB 3.78Å; Y172-F215 HydrophobicContact CE2-CB 3.92Å; Y172-F215 HydrophobicContact CE2-CD2 4.2Å; Y172-F215 HydrophobicContact CE2-CG 4.28Å; Y172-F215 PolarHBondContact N-O 2.89Å; Y172-F215 PolarHBondContact O-N 2.97Å; R174-F215 HydrophobicContact CG-CD2 3.86Å; R174-F215 HydrophobicContact CG-CE2 3.78Å; A176-F215 HydrophobicContact CB-CE2 4.16Å; A176-F215 HydrophobicContact CB-CZ 3.73Å; Q213-F215 HydrophobicContact CB-CE2 3.88Å; Q213-F215 HydrophobicContact CB-CZ 4.24Å; Q213-F215 WeakPolarHBondContact O-CD2 3.48Å; Q213-F215 WeakPolarHBondContact O-CE2 3.39Å; F215-D499 HydrophobicContact CB-CB 4.25Å; F215-D499 HydrophobicContact CD1-CB 4.34Å; F215-W500 CarbonylContact C-O 3.39Å; F215-W500 WeakPolarHBondContact CA-O 3.37Å; F215-L501 HydrophobicContact CD1-CB 3.96Å; F215-L501 HydrophobicContact CD1-CG 4.32Å; F215-L501 HydrophobicContact CE1-CB 3.61Å; F215-L501 HydrophobicContact CE1-CD1 3.97Å; F215-L501 HydrophobicContact CE1-CG 3.71Å; F215-L501 HydrophobicContact CZ-CB 4.34Å; F215-L501 HydrophobicContact CZ-CD1 3.97Å; F215-L501 HydrophobicContact CZ-CG 3.92Å |
| 216 | F | 95.9 | Very high | 92 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 129.8 | 159.7 | -70.8 | -16.8 | 0 | 0 | 0 | 109.9 | F162 L165 M170 A171 T218 D499 W500 I502 V577 F626 | F162-F216 AromaticContact CD2-CE1 3.62Å; F162-F216 HydrophobicContact CD2-CE1 3.62Å; F162-F216 AromaticContact CD2-CZ 3.89Å; F162-F216 HydrophobicContact CD2-CZ 3.89Å; F162-F216 HydrophobicContact CE2-CE1 4.06Å; F162-F216 HydrophobicContact CG-CE1 4.46Å; L165-F216 HydrophobicContact CB-CE1 4.32Å; L165-F216 HydrophobicContact CD1-CD1 4.03Å; L165-F216 HydrophobicContact CD1-CD2 4.02Å; L165-F216 HydrophobicContact CD1-CE1 3.66Å; L165-F216 HydrophobicContact CD1-CE2 3.67Å; L165-F216 HydrophobicContact CD1-CG 4.2Å; L165-F216 HydrophobicContact CD1-CZ 3.48Å; L165-F216 VanDerWaalsContact CD1-CZ 3.48Å; M170-F216 CarbonylContact O-C 3.38Å; M170-F216 VanDerWaalsContact O-CA 3.31Å; M170-F216 WeakPolarHBondContact O-CA 3.1Å; A171-F216 HydrophobicContact CB-CD1 3.74Å; A171-F216 HydrophobicContact CB-CE1 3.71Å; F216-T218 HydrophobicContact CB-CG2 4.45Å; F216-T218 PolarHBondContact O-N 3.04Å; F216-D499 VanDerWaalsContact O-CB 3.29Å; F216-D499 WeakPolarHBondContact O-CB 3.45Å; F216-W500 HydrophobicContact CB-CB 4.38Å; F216-W500 HydrophobicContact CB-CE3 4.37Å; F216-W500 HydrophobicContact CD2-CD2 4.34Å; F216-W500 AromaticContact CD2-CE3 3.74Å; F216-W500 HydrophobicContact CD2-CE3 3.74Å; F216-W500 AromaticContact CD2-CZ3 3.91Å; F216-W500 HydrophobicContact CD2-CZ3 3.91Å; F216-W500 HydrophobicContact CE2-CZ3 4.4Å; F216-W500 PolarHBondContact N-O 3.31Å; F216-W500 PolarHBondContact O-N 3.48Å; F216-I502 HydrophobicContact CB-CG2 4.4Å; F216-I502 HydrophobicContact CD1-CD1 3.75Å; F216-I502 HydrophobicContact CD1-CG1 4.33Å; F216-I502 HydrophobicContact CD1-CG2 4.39Å; F216-I502 HydrophobicContact CD2-CG2 3.62Å; F216-I502 HydrophobicContact CE1-CD1 3.42Å; F216-I502 VanDerWaalsContact CE1-CD1 3.42Å; F216-I502 HydrophobicContact CE1-CG1 4.41Å; F216-I502 HydrophobicContact CE2-CD1 4.43Å; F216-I502 HydrophobicContact CE2-CG2 3.9Å; F216-I502 HydrophobicContact CG-CD1 4.39Å; F216-I502 HydrophobicContact CG-CG2 3.88Å; F216-I502 HydrophobicContact CZ-CD1 3.8Å; F216-I502 HydrophobicContact CZ-CG2 4.41Å; F216-V577 HydrophobicContact CE2-CG1 3.89Å; F216-V577 HydrophobicContact CE2-CG2 3.93Å; F216-V577 HydrophobicContact CZ-CG1 4.29Å; F216-F626 HydrophobicContact CB-CE1 3.96Å; F216-F626 HydrophobicContact CB-CZ 4.16Å; F216-F626 HydrophobicContact CD2-CE1 4.06Å; F216-F626 HydrophobicContact CG-CE1 4.34Å |
| 217 | R | 93.6 | Very high | 92.3 | Very high | 22 Ų | 22 | 38.5 Ų | 38.5 | 8% | 0.083 | 18% | 0.183 | C | C | . | . | trans | -73.8 | 59.4 | -178.1 | -159.9 | -172.4 | -63.2 | -90.6 | 1.5 | 112.4 | G169 M170 Y172 T219 A220 E257 D499 | G169-R217 PolarHBondContact O-NE 3.18Å; M170-R217 PolarHBondContact O-N 2.95Å; M170-R217 HydrophobicContact SD-CB 4.02Å; Y172-R217 HydrophobicContact CD1-CB 4.31Å; Y172-R217 HydrophobicContact CE1-CB 3.92Å; Y172-R217 HydrophobicContact CE1-CG 4.24Å; R217-T219 PolarHBondContact O-N 2.76Å; R217-A220 HydrophobicContact CG-CB 3.92Å; R217-A220 WeakPolarHBondContact O-CB 3.46Å; R217-A220 PolarHBondContact O-N 3.49Å; R217-A220 VanDerWaalsContact O-N 3.11Å; R217-E257 IonicContact CZ-OE1 3.91Å; R217-E257 IonicContact NH1-OE1 3.28Å; R217-E257 PolarHBondContact NH1-OE1 3.11Å; R217-E257 IonicContact NH2-OE1 3.61Å; R217-E257 PolarHBondContact NH2-OE1 2.82Å; R217-E257 IonicContact NH2-OE2 3.73Å; R217-D499 VanDerWaalsContact CA-OD1 3.29Å; R217-D499 WeakPolarHBondContact CA-OD1 3.35Å | ||
| 218 | T | 94.3 | Very high | 92.5 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.006 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -59.1 | -32.6 | -179.7 | 49.9 | 0 | 0 | 0 | 0 | 111.8 | F216 A220 Y221 D499 W500 Y622 F626 | F216-T218 HydrophobicContact CB-CG2 4.45Å; F216-T218 PolarHBondContact O-N 3.04Å; T218-A220 PolarHBondContact O-N 2.98Å; T218-Y221 PolarHBondContact O-N 3.43Å; T218-D499 PolarHBondContact N-OD1 3.46Å; T218-W500 HydrophobicContact CG2-CB 3.6Å; T218-W500 HydrophobicContact CG2-CE3 4.15Å; T218-W500 PolarHBondContact OG1-N 3.48Å; T218-Y622 HydrophobicContact CG2-CE1 4.4Å; T218-F626 HydrophobicContact CG2-CD1 3.73Å; T218-F626 HydrophobicContact CG2-CD2 4.12Å; T218-F626 HydrophobicContact CG2-CE1 3.84Å; T218-F626 HydrophobicContact CG2-CE2 4.22Å; T218-F626 HydrophobicContact CG2-CG 3.87Å; T218-F626 HydrophobicContact CG2-CZ 4.08Å |
| 219 | T | 92.5 | Very high | 93 | Very high | 3 Ų | 3 | 28.3 Ų | 28.3 | 2% | 0.018 | 14% | 0.141 | C | C | . | . | G | 310 helix | trans | -60.8 | -27.9 | 178 | 57.6 | 0 | 0 | 0 | 0 | 112.6 | R217 Y221 S222 Q255 R497 D499 | R217-T219 PolarHBondContact O-N 2.76Å; T219-Y221 PolarHBondContact O-N 2.98Å; T219-S222 VanDerWaalsContact C-OG 3.32Å; T219-S222 VanDerWaalsContact CA-OG 3.28Å; T219-S222 WeakPolarHBondContact CA-OG 3.29Å; T219-S222 WeakPolarHBondContact O-CB 3.41Å; T219-S222 PolarHBondContact O-N 3.06Å; T219-S222 VanDerWaalsContact O-N 3.09Å; T219-S222 PolarHBondContact O-OG 2.71Å; T219-Q255 PolarHBondContact OG1-NE2 3.03Å; T219-R497 HydrophobicContact CG2-CB 4.45Å; T219-D499 VanDerWaalsContact CB-OD1 3.3Å; T219-D499 WeakPolarHBondContact CB-OD1 3.47Å; T219-D499 VanDerWaalsContact CG2-OD1 3.25Å; T219-D499 WeakPolarHBondContact CG2-OD1 3.19Å; T219-D499 PolarHBondContact N-OD1 2.99Å; T219-D499 PolarHBondContact OG1-OD1 3Å |
| 220 | A | 93.7 | Very high | 93.4 | Very high | 12 Ų | 12 | 29.3 Ų | 29.3 | 10% | 0.099 | 15% | 0.148 | C | C | . | . | G | 310 helix | trans | -63.7 | -24.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | M170 R217 T218 Y491 | M170-A220 HydrophobicContact CE-CB 4.11Å; M170-A220 HydrophobicContact SD-CB 3.96Å; R217-A220 HydrophobicContact CG-CB 3.92Å; R217-A220 WeakPolarHBondContact O-CB 3.46Å; R217-A220 PolarHBondContact O-N 3.49Å; R217-A220 VanDerWaalsContact O-N 3.11Å; T218-A220 PolarHBondContact O-N 2.98Å; A220-Y491 HydrophobicContact CB-CD1 3.92Å; A220-Y491 HydrophobicContact CB-CD2 3.79Å; A220-Y491 HydrophobicContact CB-CE1 4.29Å; A220-Y491 HydrophobicContact CB-CE2 4.18Å; A220-Y491 HydrophobicContact CB-CG 3.67Å; A220-Y491 VanDerWaalsContact O-CD1 3.28Å; A220-Y491 WeakPolarHBondContact O-CD1 3.24Å |
| 221 | Y | 96.1 | Very high | 93.7 | Very high | 21 Ų | 21 | 30.9 Ų | 30.9 | 8% | 0.082 | 15% | 0.152 | C | C | . | . | G | 310 helix | trans | -96.7 | 2.9 | 177.7 | -81.4 | -98.9 | 0 | 0 | 0 | 113.4 | M170 T218 T219 E223 S224 L225 F626 H629 F630 D633 | M170-Y221 HydrophobicContact CE-CE2 3.97Å; M170-Y221 HydrophobicContact SD-CE2 4.07Å; T218-Y221 PolarHBondContact O-N 3.43Å; T219-Y221 PolarHBondContact O-N 2.98Å; Y221-E223 VanDerWaalsContact C-N 3.32Å; Y221-E223 PolarHBondContact O-N 3.01Å; Y221-S224 WeakPolarHBondContact O-CB 3.47Å; Y221-S224 PolarHBondContact O-N 3.33Å; Y221-L225 WeakPolarHBondContact O-CB 3.26Å; Y221-L225 VanDerWaalsContact O-CG 3.32Å; Y221-L225 WeakPolarHBondContact O-CG 3.46Å; Y221-L225 PolarHBondContact O-N 3.49Å; Y221-F626 AromaticContact CD2-CD2 3.96Å; Y221-F626 HydrophobicContact CD2-CD2 3.96Å; Y221-F626 AromaticContact CD2-CE2 3.59Å; Y221-F626 HydrophobicContact CD2-CE2 3.59Å; Y221-F626 HydrophobicContact CE2-CE2 4.12Å; Y221-F626 AromaticContact CG-CD2 3.97Å; Y221-F626 HydrophobicContact CG-CD2 3.97Å; Y221-F626 HydrophobicContact CG-CE2 4.1Å; Y221-H629 HydrophobicContact CD1-CB 3.6Å; Y221-H629 HydrophobicContact CE1-CB 3.78Å; Y221-F630 HydrophobicContact CE2-CD2 4.47Å; Y221-F630 WeakPolarHBondContact OH-CD2 3.27Å; Y221-D633 WeakPolarHBondContact CE1-OD2 3.5Å; Y221-D633 PolarHBondContact OH-OD2 3.36Å |
| 222 | S | 95.9 | Very high | 94 | Very high | 3 Ų | 3 | 28.7 Ų | 28.7 | 2% | 0.021 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -53.7 | -45.5 | -173.7 | -53.3 | 0 | 0 | 0 | 0 | 113.4 | T219 L226 R492 | T219-S222 VanDerWaalsContact C-OG 3.32Å; T219-S222 VanDerWaalsContact CA-OG 3.28Å; T219-S222 WeakPolarHBondContact CA-OG 3.29Å; T219-S222 WeakPolarHBondContact O-CB 3.41Å; T219-S222 PolarHBondContact O-N 3.06Å; T219-S222 VanDerWaalsContact O-N 3.09Å; T219-S222 PolarHBondContact O-OG 2.71Å; S222-L226 WeakPolarHBondContact O-CB 3.36Å; S222-L226 PolarHBondContact O-N 3.09Å; S222-R492 WeakPolarHBondContact CB-O 3.36Å |
| 223 | E | 95 | Very high | 94.1 | Very high | 95 Ų | 95 | 30 Ų | 30 | 44% | 0.444 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -67.9 | -42.1 | 177.9 | -176.2 | 173.8 | -124.3 | 0 | 0 | 112.1 | Y221 L225 L226 N227 L251 | Y221-E223 VanDerWaalsContact C-N 3.32Å; Y221-E223 PolarHBondContact O-N 3.01Å; E223-L225 VanDerWaalsContact C-N 3.34Å; E223-L225 PolarHBondContact O-N 2.86Å; E223-L226 PolarHBondContact O-N 3.41Å; E223-N227 WeakPolarHBondContact O-CB 3.41Å; E223-N227 PolarHBondContact O-N 3.4Å; E223-N227 PolarHBondContact O-ND2 2.91Å; E223-L251 HydrophobicContact CB-CD1 4.03Å |
| 224 | S | 96.2 | Very high | 93.8 | Very high | 25 Ų | 25 | 37.2 Ų | 37.2 | 18% | 0.175 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.9 | -44.4 | 176.4 | -170.4 | 0 | 0 | 0 | 0 | 111 | Y221 N227 G228 H629 | Y221-S224 WeakPolarHBondContact O-CB 3.47Å; Y221-S224 PolarHBondContact O-N 3.33Å; S224-N227 PolarHBondContact O-N 3.27Å; S224-G228 PolarHBondContact O-N 3.05Å; S224-H629 PolarHBondContact O-CE1 2.8Å; S224-H629 VanDerWaalsContact O-CE1 3.26Å; S224-H629 PolarHBondContact OG-ND1 3.28Å |
| 225 | L | 97.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.2 | -39.4 | 175.6 | -68.7 | 167.8 | 0 | 0 | 0 | 111.4 | Y221 E223 N227 G228 L229 L248 Y622 R625 F626 | Y221-L225 WeakPolarHBondContact O-CB 3.26Å; Y221-L225 VanDerWaalsContact O-CG 3.32Å; Y221-L225 WeakPolarHBondContact O-CG 3.46Å; Y221-L225 PolarHBondContact O-N 3.49Å; E223-L225 VanDerWaalsContact C-N 3.34Å; E223-L225 PolarHBondContact O-N 2.86Å; L225-N227 VanDerWaalsContact C-N 3.32Å; L225-N227 PolarHBondContact O-N 3.31Å; L225-G228 PolarHBondContact O-N 2.9Å; L225-L229 WeakPolarHBondContact O-CG 3.36Å; L225-L229 PolarHBondContact O-N 3.5Å; L225-L248 HydrophobicContact CB-CD1 4.11Å; L225-L248 HydrophobicContact CB-CD2 4.38Å; L225-Y622 HydrophobicContact CD1-CD2 4.4Å; L225-Y622 HydrophobicContact CD1-CE2 3.66Å; L225-R625 HydrophobicContact CD2-CB 3.66Å; L225-R625 PolarHBondContact O-NH2 3.47Å; L225-F626 HydrophobicContact CD1-CB 4.35Å |
| 226 | L | 95.6 | Very high | 93.1 | Very high | 44 Ų | 44 | 42.2 Ų | 42.2 | 23% | 0.23 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.8 | -38 | 176.2 | -172.5 | 63.2 | 0 | 0 | 0 | 111.8 | S222 E223 R245 L248 L251 | S222-L226 WeakPolarHBondContact O-CB 3.36Å; S222-L226 PolarHBondContact O-N 3.09Å; E223-L226 PolarHBondContact O-N 3.41Å; L226-R245 HydrophobicContact CD1-CG 4Å; L226-L248 HydrophobicContact CB-CD1 4.16Å; L226-L248 HydrophobicContact CD1-CD1 4.27Å; L226-L251 HydrophobicContact CB-CD1 4.18Å; L226-L251 HydrophobicContact CD2-CD1 3.75Å; L226-L251 HydrophobicContact CD2-CG 4.28Å |
| 227 | N | 95 | Very high | 92.8 | Very high | 68 Ų | 68 | 42.2 Ų | 42.2 | 36% | 0.364 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -70 | -42.3 | 175.9 | -73.7 | -31.6 | 0 | 0 | 0 | 112.1 | E223 S224 L225 L229 K230 D231 | E223-N227 WeakPolarHBondContact O-CB 3.41Å; E223-N227 PolarHBondContact O-N 3.4Å; E223-N227 PolarHBondContact O-ND2 2.91Å; S224-N227 PolarHBondContact O-N 3.27Å; L225-N227 VanDerWaalsContact C-N 3.32Å; L225-N227 PolarHBondContact O-N 3.31Å; N227-L229 PolarHBondContact O-N 2.79Å; N227-K230 WeakPolarHBondContact O-CA 3.5Å; N227-K230 VanDerWaalsContact O-CB 3.22Å; N227-K230 WeakPolarHBondContact O-CB 3.43Å; N227-K230 PolarHBondContact O-N 2.96Å; N227-K230 PolarHBondContact OD1-NZ 3.18Å; N227-D231 PolarHBondContact O-N 3.25Å |
| 228 | G | 95.5 | Very high | 92.3 | Very high | 2 Ų | 2 | 51 Ų | 51 | 2% | 0.021 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.4 | -29.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | S224 L225 K230 D231 I232 E641 | S224-G228 PolarHBondContact O-N 3.05Å; L225-G228 PolarHBondContact O-N 2.9Å; G228-K230 PolarHBondContact O-N 3.35Å; G228-D231 WeakPolarHBondContact O-CB 3.32Å; G228-D231 PolarHBondContact O-N 2.9Å; G228-D231 VanDerWaalsContact O-N 3.1Å; G228-I232 PolarHBondContact O-N 2.81Å; G228-E641 WeakPolarHBondContact CA-OE1 3.43Å |
| 229 | L | 94.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.3 | -28.3 | 171 | -69.6 | 178.4 | 0 | 0 | 0 | 113.1 | L225 N227 I232 E233 I241 Q244 R245 L248 | L225-L229 WeakPolarHBondContact O-CG 3.36Å; L225-L229 PolarHBondContact O-N 3.5Å; N227-L229 PolarHBondContact O-N 2.79Å; L229-I232 HydrophobicContact CD2-CD1 4.27Å; L229-E233 PolarHBondContact O-N 3.5Å; L229-I241 HydrophobicContact CB-CG1 4.49Å; L229-I241 HydrophobicContact CD2-CG1 3.99Å; L229-Q244 HydrophobicContact CD1-CB 3.92Å; L229-Q244 HydrophobicContact CD2-CB 4.37Å; L229-R245 HydrophobicContact CD1-CG 3.91Å; L229-L248 HydrophobicContact CD1-CD1 4.22Å |
| 230 | K | 92.8 | Very high | 91.8 | Very high | 117 Ų | 117 | 54.4 Ų | 54.4 | 51% | 0.509 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -71.9 | -38 | 174.4 | -57.4 | 172.1 | -178 | 161.8 | 0 | 110.6 | N227 G228 I232 E233 | N227-K230 WeakPolarHBondContact O-CA 3.5Å; N227-K230 VanDerWaalsContact O-CB 3.22Å; N227-K230 WeakPolarHBondContact O-CB 3.43Å; N227-K230 PolarHBondContact O-N 2.96Å; N227-K230 PolarHBondContact OD1-NZ 3.18Å; G228-K230 PolarHBondContact O-N 3.35Å; K230-I232 PolarHBondContact O-N 3.26Å; K230-E233 PolarHBondContact O-N 3.21Å |
| 231 | D | 90.6 | Very high | 91.8 | Very high | 113 Ų | 113 | 54.1 Ų | 54.1 | 60% | 0.604 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -63.1 | -28.5 | -179.8 | -58.7 | -21.4 | 0 | 0 | 0 | 112.2 | N227 G228 | N227-D231 PolarHBondContact O-N 3.25Å; G228-D231 WeakPolarHBondContact O-CB 3.32Å; G228-D231 PolarHBondContact O-N 2.9Å; G228-D231 VanDerWaalsContact O-N 3.1Å |
| 232 | I | 92.7 | Very high | 91.6 | Very high | 6 Ų | 6 | 60.1 Ų | 60.1 | 3% | 0.031 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | 5.1 | -179.8 | 65.1 | -174.7 | 0 | 0 | 0 | 114.4 | G228 L229 K230 N234 N235 W237 E641 | G228-I232 PolarHBondContact O-N 2.81Å; L229-I232 HydrophobicContact CD2-CD1 4.27Å; K230-I232 PolarHBondContact O-N 3.26Å; I232-N234 PolarHBondContact O-N 3.3Å; I232-N234 VanDerWaalsContact O-N 3.12Å; I232-N235 PolarHBondContact O-N 2.88Å; I232-W237 HydrophobicContact CB-CG 4.45Å; I232-W237 HydrophobicContact CD1-CD2 3.64Å; I232-W237 HydrophobicContact CD1-CE3 3.85Å; I232-W237 HydrophobicContact CD1-CG 4Å; I232-W237 HydrophobicContact CD1-CH2 4.21Å; I232-W237 HydrophobicContact CD1-CZ2 3.98Å; I232-W237 HydrophobicContact CD1-CZ3 4.15Å; I232-W237 HydrophobicContact CG1-CB 4.47Å; I232-W237 HydrophobicContact CG1-CD2 4.35Å; I232-W237 HydrophobicContact CG1-CG 4.19Å; I232-E641 HydrophobicContact CG2-CB 3.98Å; I232-E641 HydrophobicContact CG2-CG 3.85Å |
| 233 | E | 88.9 | Confident | 91.5 | Very high | 84 Ų | 84 | 64 Ų | 64 | 39% | 0.393 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -32.8 | -171.9 | -172.1 | 157.5 | -149.1 | 0 | 0 | 113.8 | L229 K230 I241 R245 | L229-E233 PolarHBondContact O-N 3.5Å; K230-E233 PolarHBondContact O-N 3.21Å; E233-I241 HydrophobicContact CB-CD1 4.13Å; E233-I241 HydrophobicContact CG-CD1 4.21Å; E233-R245 IonicContact OE1-CZ 3.94Å; E233-R245 IonicContact OE1-NH1 3.96Å; E233-R245 PolarHBondContact OE1-NH1 2.89Å; E233-R245 IonicContact OE1-NH2 3.61Å; E233-R245 PolarHBondContact OE1-NH2 2.8Å; E233-R245 IonicContact OE2-NH2 3.19Å; E233-R245 PolarHBondContact OE2-NH2 2.85Å |
| 234 | N | 86.4 | Confident | 91.4 | Very high | 155 Ų | 155 | 59.5 Ų | 59.5 | 83% | 0.829 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | 7.1 | -179.5 | -63.1 | -43.6 | 0 | 0 | 0 | 114.3 | I232 | I232-N234 PolarHBondContact O-N 3.3Å; I232-N234 VanDerWaalsContact O-N 3.12Å |
| 235 | N | 88 | Confident | 91.3 | Very high | 49 Ų | 49 | 62.6 Ų | 62.6 | 26% | 0.262 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | 41.7 | -174 | -65.5 | -36.7 | 0 | 0 | 0 | 113.3 | I232 W237 K644 R645 | I232-N235 PolarHBondContact O-N 2.88Å; N235-W237 VanDerWaalsContact C-N 3.31Å; N235-W237 VanDerWaalsContact O-CD1 3.29Å; N235-W237 PolarHBondContact O-N 3.46Å; N235-K644 WeakPolarHBondContact CB-O 3.35Å; N235-R645 HydrophobicContact CB-CG 4.03Å; N235-R645 WeakPolarHBondContact O-CA 3.24Å |
| 236 | Q | 85.6 | Confident | 91 | Very high | 66 Ų | 66 | 65 Ų | 65 | 31% | 0.308 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.8 | 22.6 | 177.4 | -53.2 | -179.4 | -74.7 | 0 | 0 | 116.1 | D808 T809 F810 | Q236-D808 PolarHBondContact NE2-O 2.68Å; Q236-T809 PolarHBondContact NE2-O 3Å; Q236-F810 VanDerWaalsContact OE1-CD2 3.27Å |
| 237 | W | 89.7 | Confident | 90.7 | Very high | 1 Ų | 1 | 65.3 Ų | 65.3 | 0% | 0.004 | 32% | 0.32 | C | S | . | . | trans | -90 | 7.7 | 178.8 | -85.5 | 83 | 0 | 0 | 0 | 114.9 | I232 N235 D239 V240 I241 L621 F643 K644 F646 | I232-W237 HydrophobicContact CB-CG 4.45Å; I232-W237 HydrophobicContact CD1-CD2 3.64Å; I232-W237 HydrophobicContact CD1-CE3 3.85Å; I232-W237 HydrophobicContact CD1-CG 4Å; I232-W237 HydrophobicContact CD1-CH2 4.21Å; I232-W237 HydrophobicContact CD1-CZ2 3.98Å; I232-W237 HydrophobicContact CD1-CZ3 4.15Å; I232-W237 HydrophobicContact CG1-CB 4.47Å; I232-W237 HydrophobicContact CG1-CD2 4.35Å; I232-W237 HydrophobicContact CG1-CG 4.19Å; N235-W237 VanDerWaalsContact C-N 3.31Å; N235-W237 VanDerWaalsContact O-CD1 3.29Å; N235-W237 PolarHBondContact O-N 3.46Å; W237-D239 PolarHBondContact O-N 2.9Å; W237-D239 VanDerWaalsContact O-N 3.14Å; W237-V240 HydrophobicContact CE3-CB 3.75Å; W237-V240 HydrophobicContact CE3-CG1 3.55Å; W237-V240 HydrophobicContact CE3-CG2 4.48Å; W237-V240 HydrophobicContact CZ3-CB 4.23Å; W237-V240 HydrophobicContact CZ3-CG1 3.54Å; W237-V240 PolarHBondContact O-N 2.85Å; W237-I241 HydrophobicContact CB-CD1 3.48Å; W237-I241 VanDerWaalsContact CB-CD1 3.48Å; W237-I241 HydrophobicContact CB-CG1 3.85Å; W237-I241 PolarHBondContact O-N 2.87Å; W237-L621 HydrophobicContact CH2-CD1 4.48Å; W237-L621 HydrophobicContact CH2-CD2 4.25Å; W237-L621 HydrophobicContact CZ3-CD1 4.23Å; W237-F643 AromaticContact CH2-CD2 3.99Å; W237-F643 HydrophobicContact CH2-CD2 3.99Å; W237-F643 HydrophobicContact CZ2-CB 3.97Å; W237-F643 AromaticContact CZ2-CD2 3.95Å; W237-F643 HydrophobicContact CZ2-CD2 3.95Å; W237-F643 HydrophobicContact CZ2-CG 4.46Å; W237-F643 PolarHBondContact NE1-O 3.35Å; W237-K644 PolarHBondContact NE1-O 2.94Å; W237-F646 HydrophobicContact CD2-CB 3.82Å; W237-F646 HydrophobicContact CE3-CB 4.43Å; W237-F646 HydrophobicContact CG-CB 4.16Å; W237-F646 HydrophobicContact CZ2-CB 4.07Å | ||
| 238 | R | 83.2 | Confident | 90.5 | Very high | 207 Ų | 207 | 62.2 Ų | 62.2 | 78% | 0.781 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -46.3 | -52.6 | -164.5 | -171.8 | -179.9 | 179.2 | 179.2 | 0.3 | 114.1 | Q242 | R238-Q242 PolarHBondContact O-N 2.73Å |
| 239 | D | 84.5 | Confident | 90.3 | Very high | 74 Ų | 74 | 63 Ų | 63 | 40% | 0.396 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -68.1 | -37.9 | -176.7 | -60.7 | -28.5 | 0 | 0 | 0 | 112.2 | W237 L243 L614 | W237-D239 PolarHBondContact O-N 2.9Å; W237-D239 VanDerWaalsContact O-N 3.14Å; D239-L243 WeakPolarHBondContact O-CG 3.29Å; D239-L243 PolarHBondContact O-N 3.1Å; D239-L614 HydrophobicContact CB-CD2 4.04Å |
| 240 | V | 91.8 | Very high | 90.1 | Very high | 1 Ų | 1 | 70.1 Ų | 70.1 | 1% | 0.006 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -72.9 | -38.4 | 179.8 | 177.7 | 0 | 0 | 0 | 0 | 111.5 | W237 Q242 L243 Q244 L614 A617 L621 F646 | W237-V240 HydrophobicContact CE3-CB 3.75Å; W237-V240 HydrophobicContact CE3-CG1 3.55Å; W237-V240 HydrophobicContact CE3-CG2 4.48Å; W237-V240 HydrophobicContact CZ3-CB 4.23Å; W237-V240 HydrophobicContact CZ3-CG1 3.54Å; W237-V240 PolarHBondContact O-N 2.85Å; V240-Q242 VanDerWaalsContact C-N 3.3Å; V240-Q242 PolarHBondContact O-N 3.25Å; V240-L243 PolarHBondContact O-N 3.24Å; V240-Q244 HydrophobicContact CG1-CG 4.1Å; V240-Q244 WeakPolarHBondContact O-CB 3.36Å; V240-Q244 PolarHBondContact O-N 2.89Å; V240-L614 HydrophobicContact CG2-CD2 3.82Å; V240-A617 HydrophobicContact CG1-CB 4.11Å; V240-A617 HydrophobicContact CG2-CB 4.24Å; V240-L621 HydrophobicContact CG1-CD1 3.91Å; V240-L621 HydrophobicContact CG2-CD1 4.03Å; V240-F646 HydrophobicContact CG2-CD1 3.52Å; V240-F646 HydrophobicContact CG2-CE1 3.5Å |
| 241 | I | 93.6 | Very high | 90.1 | Very high | 5 Ų | 5 | 66 Ų | 66 | 3% | 0.026 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -59 | -44.2 | 177.1 | -75.3 | 160.4 | 0 | 0 | 0 | 110.6 | L229 E233 W237 L243 Q244 R245 | L229-I241 HydrophobicContact CB-CG1 4.49Å; L229-I241 HydrophobicContact CD2-CG1 3.99Å; E233-I241 HydrophobicContact CB-CD1 4.13Å; E233-I241 HydrophobicContact CG-CD1 4.21Å; W237-I241 HydrophobicContact CB-CD1 3.48Å; W237-I241 VanDerWaalsContact CB-CD1 3.48Å; W237-I241 HydrophobicContact CB-CG1 3.85Å; W237-I241 PolarHBondContact O-N 2.87Å; I241-L243 PolarHBondContact O-N 3.46Å; I241-Q244 PolarHBondContact O-N 3.34Å; I241-R245 HydrophobicContact CG2-CG 4.17Å; I241-R245 VanDerWaalsContact O-CB 3.31Å; I241-R245 WeakPolarHBondContact O-CB 3.42Å; I241-R245 VanDerWaalsContact O-CG 3.32Å; I241-R245 WeakPolarHBondContact O-CG 3.25Å; I241-R245 PolarHBondContact O-N 2.88Å |
| 242 | Q | 91.9 | Very high | 90.1 | Very high | 148 Ų | 148 | 63.7 Ų | 63.7 | 69% | 0.692 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -61.8 | -46.1 | 178.7 | -173.7 | 176 | 2.4 | 0 | 0 | 111.2 | R238 V240 G246 | R238-Q242 PolarHBondContact O-N 2.73Å; V240-Q242 VanDerWaalsContact C-N 3.3Å; V240-Q242 PolarHBondContact O-N 3.25Å; Q242-G246 PolarHBondContact O-N 2.69Å |
| 243 | L | 92.2 | Very high | 90 | Very high | 84 Ų | 84 | 63.7 Ų | 63.7 | 44% | 0.44 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.4 | -44.8 | 177.8 | -68.8 | 171.3 | 0 | 0 | 0 | 111.9 | D239 V240 I241 G246 W247 A617 V618 | D239-L243 WeakPolarHBondContact O-CG 3.29Å; D239-L243 PolarHBondContact O-N 3.1Å; V240-L243 PolarHBondContact O-N 3.24Å; I241-L243 PolarHBondContact O-N 3.46Å; L243-G246 PolarHBondContact O-N 3.2Å; L243-W247 WeakPolarHBondContact O-CB 3.36Å; L243-W247 PolarHBondContact O-N 3.45Å; L243-A617 HydrophobicContact CB-CB 4.2Å; L243-A617 HydrophobicContact CD1-CB 3.56Å; L243-V618 HydrophobicContact CB-CG1 4.07Å |
| 244 | Q | 94 | Very high | 90.3 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -74.2 | -32.9 | -179.5 | -70.9 | -164.7 | 7.9 | 0 | 0 | 113.4 | L229 V240 I241 W247 L248 A617 | L229-Q244 HydrophobicContact CD1-CB 3.92Å; L229-Q244 HydrophobicContact CD2-CB 4.37Å; V240-Q244 HydrophobicContact CG1-CG 4.1Å; V240-Q244 WeakPolarHBondContact O-CB 3.36Å; V240-Q244 PolarHBondContact O-N 2.89Å; I241-Q244 PolarHBondContact O-N 3.34Å; Q244-W247 CarbonylContact O-C 3.52Å; Q244-W247 PolarHBondContact O-N 3.16Å; Q244-L248 WeakPolarHBondContact O-CB 3.4Å; Q244-L248 WeakPolarHBondContact O-CG 3.29Å; Q244-L248 PolarHBondContact O-N 3.41Å; Q244-A617 WeakPolarHBondContact CG-O 3.39Å; Q244-A617 PolarHBondContact NE2-O 3.19Å |
| 245 | R | 93.5 | Very high | 90.6 | Very high | 90 Ų | 90 | 52.7 Ų | 52.7 | 34% | 0.34 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61.8 | -46.1 | 170.4 | -78.3 | 179.4 | 176.8 | 157.9 | 2.3 | 110.4 | L226 L229 E233 I241 W247 L248 G249 | L226-R245 HydrophobicContact CD1-CG 4Å; L229-R245 HydrophobicContact CD1-CG 3.91Å; E233-R245 IonicContact OE1-CZ 3.94Å; E233-R245 IonicContact OE1-NH1 3.96Å; E233-R245 PolarHBondContact OE1-NH1 2.89Å; E233-R245 IonicContact OE1-NH2 3.61Å; E233-R245 PolarHBondContact OE1-NH2 2.8Å; E233-R245 IonicContact OE2-NH2 3.19Å; E233-R245 PolarHBondContact OE2-NH2 2.85Å; I241-R245 HydrophobicContact CG2-CG 4.17Å; I241-R245 VanDerWaalsContact O-CB 3.31Å; I241-R245 WeakPolarHBondContact O-CB 3.42Å; I241-R245 VanDerWaalsContact O-CG 3.32Å; I241-R245 WeakPolarHBondContact O-CG 3.25Å; I241-R245 PolarHBondContact O-N 2.88Å; R245-W247 VanDerWaalsContact C-N 3.31Å; R245-W247 PolarHBondContact O-N 2.99Å; R245-L248 PolarHBondContact O-N 3.01Å; R245-G249 PolarHBondContact O-N 2.74Å; R245-G249 VanDerWaalsContact O-N 3.08Å |
| 246 | G | 91.2 | Very high | 90.8 | Very high | 50 Ų | 50 | 50.4 Ų | 50.4 | 52% | 0.515 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62 | -38.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q242 L243 G249 R497 | Q242-G246 PolarHBondContact O-N 2.69Å; L243-G246 PolarHBondContact O-N 3.2Å; G246-G249 PolarHBondContact O-N 2.94Å; G246-R497 PolarHBondContact O-NH2 2.86Å |
| 247 | W | 89.4 | Confident | 91.2 | Very high | 51 Ų | 51 | 47.6 Ų | 47.6 | 19% | 0.193 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -69.2 | -35.4 | 175.9 | -173.2 | -102.7 | 0 | 0 | 0 | 113.7 | E191 L243 Q244 R245 G249 R497 V618 | E191-W247 HydrophobicContact CG-CH2 3.84Å; E191-W247 HydrophobicContact CG-CZ2 3.49Å; E191-W247 VanDerWaalsContact CG-CZ2 3.49Å; E191-W247 VanDerWaalsContact OE1-CZ2 3.31Å; E191-W247 WeakPolarHBondContact OE1-CZ2 3.49Å; L243-W247 WeakPolarHBondContact O-CB 3.36Å; L243-W247 PolarHBondContact O-N 3.45Å; Q244-W247 CarbonylContact O-C 3.52Å; Q244-W247 PolarHBondContact O-N 3.16Å; R245-W247 VanDerWaalsContact C-N 3.31Å; R245-W247 PolarHBondContact O-N 2.99Å; W247-G249 VanDerWaalsContact C-N 3.34Å; W247-R497 VanDerWaalsContact CE3-NH1 3.31Å; W247-R497 VanDerWaalsContact CZ3-NH1 3.33Å; W247-R497 WeakPolarHBondContact O-CD 3.34Å; W247-R497 PolarHBondContact O-NE 3.24Å; W247-R497 PolarHBondContact O-NH2 3.14Å; W247-V618 HydrophobicContact CB-CB 4.25Å; W247-V618 HydrophobicContact CB-CG1 3.69Å; W247-V618 HydrophobicContact CD2-CB 4.06Å; W247-V618 HydrophobicContact CD2-CG1 4.38Å; W247-V618 HydrophobicContact CE3-CB 4.29Å; W247-V618 HydrophobicContact CE3-CG2 4.46Å; W247-V618 HydrophobicContact CG-CB 4Å; W247-V618 HydrophobicContact CG-CG1 4Å |
| 248 | L | 91.1 | Very high | 91.4 | Very high | 3 Ų | 3 | 47.6 Ų | 47.6 | 2% | 0.016 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -74.9 | -28.1 | 176.6 | -77.3 | 165.8 | 0 | 0 | 0 | 112 | L225 L226 L229 Q244 R245 D494 Y622 | L225-L248 HydrophobicContact CB-CD1 4.11Å; L225-L248 HydrophobicContact CB-CD2 4.38Å; L226-L248 HydrophobicContact CB-CD1 4.16Å; L226-L248 HydrophobicContact CD1-CD1 4.27Å; L229-L248 HydrophobicContact CD1-CD1 4.22Å; Q244-L248 WeakPolarHBondContact O-CB 3.4Å; Q244-L248 WeakPolarHBondContact O-CG 3.29Å; Q244-L248 PolarHBondContact O-N 3.41Å; R245-L248 PolarHBondContact O-N 3.01Å; L248-D494 VanDerWaalsContact O-CB 3.26Å; L248-D494 WeakPolarHBondContact O-CB 3.37Å; L248-Y622 HydrophobicContact CD2-CE2 3.84Å; L248-Y622 HydrophobicContact CG-CE2 4.43Å |
| 249 | G | 90 | Very high | 91.8 | Very high | 20 Ų | 20 | 40 Ų | 40 | 21% | 0.206 | 21% | 0.21 | C | C | . | . | trans | 71.2 | -157.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | R245 G246 W247 | R245-G249 PolarHBondContact O-N 2.74Å; R245-G249 VanDerWaalsContact O-N 3.08Å; G246-G249 PolarHBondContact O-N 2.94Å; W247-G249 VanDerWaalsContact C-N 3.34Å | ||
| 250 | H | 90.3 | Very high | 92.1 | Very high | 149 Ų | 149 | 37 Ų | 37 | 69% | 0.69 | 19% | 0.194 | S | C | * | . | trans | -97 | 109.7 | -178.3 | -64.6 | -72.7 | 0 | 0 | 0 | 110.4 | N252 D494 | H250-N252 PolarHBondContact O-N 3.03Å; H250-N252 PolarHBondContact O-OD1 3.19Å; H250-D494 PolarHBondContact N-OD2 2.79Å; H250-D494 WeakPolarHBondContact O-CA 3.32Å | ||
| 251 | L | 93.1 | Very high | 92 | Very high | 30 Ų | 30 | 39.3 Ų | 39.3 | 16% | 0.157 | 20% | 0.203 | C | C | . | . | trans | -74.6 | 64.2 | -177.1 | -48.8 | -175.5 | 0 | 0 | 0 | 112.6 | E223 L226 R492 | E223-L251 HydrophobicContact CB-CD1 4.03Å; L226-L251 HydrophobicContact CB-CD1 4.18Å; L226-L251 HydrophobicContact CD2-CD1 3.75Å; L226-L251 HydrophobicContact CD2-CG 4.28Å; L251-R492 HydrophobicContact CB-CB 4.14Å | ||
| 252 | N | 90.7 | Very high | 91.6 | Very high | 65 Ų | 65 | 40.3 Ų | 40.3 | 35% | 0.348 | 21% | 0.21 | S | C | . | . | trans | -103.4 | 2.5 | -169.7 | 66.6 | 11.4 | 0 | 0 | 0 | 114.7 | H250 C493 | H250-N252 PolarHBondContact O-N 3.03Å; H250-N252 PolarHBondContact O-OD1 3.19Å; N252-C493 PolarHBondContact N-O 3.38Å | ||
| 253 | G | 92.1 | Very high | 90.7 | Very high | 5 Ų | 5 | 36.6 Ų | 36.6 | 5% | 0.052 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | -163.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | T295 R492 C493 | G253-T295 CarbonylContact C-O 3.46Å; G253-T295 VanDerWaalsContact CA-O 3.24Å; G253-T295 WeakPolarHBondContact CA-O 3.44Å; G253-R492 CarbonylContact O-C 3.57Å; G253-R492 VanDerWaalsContact O-CA 3.26Å; G253-R492 WeakPolarHBondContact O-CA 3.18Å; G253-C493 PolarHBondContact N-O 2.83Å; G253-C493 PolarHBondContact O-N 3.2Å |
| 254 | T | 94.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 158.6 | 178.7 | -177.2 | 0 | 0 | 0 | 0 | 110.4 | F294 T295 P298 M480 L483 G490 Y491 | T254-F294 WeakPolarHBondContact O-CA 3.42Å; T254-T295 HydrophobicContact CG2-CG2 4.14Å; T254-T295 PolarHBondContact N-O 3Å; T254-T295 PolarHBondContact O-N 3.26Å; T254-P298 HydrophobicContact CG2-CB 3.78Å; T254-P298 HydrophobicContact CG2-CG 4.24Å; T254-M480 HydrophobicContact CG2-CE 4.46Å; T254-M480 HydrophobicContact CG2-SD 3.59Å; T254-M480 VanDerWaalsContact CG2-SD 3.59Å; T254-L483 HydrophobicContact CG2-CD1 3.99Å; T254-G490 WeakPolarHBondContact OG1-CA 3.16Å; T254-G490 PolarHBondContact OG1-N 3.19Å; T254-G490 VanDerWaalsContact OG1-N 3.15Å; T254-Y491 WeakPolarHBondContact CA-O 3.24Å; T254-Y491 WeakPolarHBondContact CB-O 3.44Å; T254-Y491 PolarHBondContact OG1-N 2.89Å; T254-Y491 VanDerWaalsContact OG1-N 3.16Å; T254-Y491 PolarHBondContact OG1-O 2.93Å; T254-Y491 VanDerWaalsContact OG1-O 3.12Å |
| 255 | Q | 92.2 | Very high | 86.7 | Confident | 9 Ų | 9 | 42.8 Ų | 42.8 | 4% | 0.042 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 144.9 | 159.8 | -63 | 179.6 | -4.9 | 0 | 0 | 110.6 | T219 V292 I293 Y403 G489 D499 | T219-Q255 PolarHBondContact OG1-NE2 3.03Å; Q255-V292 HydrophobicContact CB-CG1 3.82Å; Q255-V292 HydrophobicContact CG-CG1 3.96Å; Q255-I293 CarbonylContact C-O 3.53Å; Q255-Y403 HydrophobicContact CG-CE1 3.85Å; Q255-Y403 PolarHBondContact NE2-OH 3.48Å; Q255-G489 WeakPolarHBondContact O-CA 3.39Å; Q255-D499 PolarHBondContact NE2-OD2 3.35Å |
| 256 | M | 93.7 | Very high | 83.8 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 136.6 | 168.3 | -176.6 | 169.9 | 178.6 | 0 | 0 | 110 | F258 I293 A301 P381 F382 L483 R488 | M256-F258 HydrophobicContact CB-CE2 3.95Å; M256-F258 HydrophobicContact CB-CZ 4.22Å; M256-F258 HydrophobicContact CE-CD1 4.38Å; M256-F258 HydrophobicContact CE-CE1 3.53Å; M256-F258 HydrophobicContact CE-CZ 3.66Å; M256-F258 HydrophobicContact CG-CD2 4.41Å; M256-F258 HydrophobicContact CG-CE1 4.25Å; M256-F258 HydrophobicContact CG-CE2 3.66Å; M256-F258 HydrophobicContact CG-CZ 3.58Å; M256-F258 HydrophobicContact SD-CE1 3.96Å; M256-F258 HydrophobicContact SD-CE2 4.1Å; M256-F258 HydrophobicContact SD-CZ 3.4Å; M256-F258 WeakPolarHBondContact SD-CZ 3.22Å; M256-I293 PolarHBondContact N-O 3.22Å; M256-I293 PolarHBondContact O-N 3.39Å; M256-A301 HydrophobicContact SD-CB 3.71Å; M256-P381 HydrophobicContact CE-CG 3.42Å; M256-P381 VanDerWaalsContact CE-CG 3.42Å; M256-F382 HydrophobicContact CE-CD2 4.42Å; M256-F382 HydrophobicContact CE-CE2 3.89Å; M256-L483 HydrophobicContact CB-CD2 4.43Å; M256-L483 HydrophobicContact CE-CD2 3.97Å; M256-L483 HydrophobicContact CG-CD2 3.73Å; M256-L483 HydrophobicContact SD-CD2 3.82Å; M256-R488 CarbonylContact C-O 3.6Å; M256-R488 WeakPolarHBondContact CA-O 3.32Å |
| 257 | E | 92.7 | Very high | 80.7 | Confident | 8 Ų | 8 | 49 Ų | 49 | 4% | 0.037 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 131.4 | -177.6 | -53.7 | -158.6 | 147.3 | 0 | 0 | 113.2 | R217 R290 L291 V292 R488 | R217-E257 IonicContact CZ-OE1 3.91Å; R217-E257 IonicContact NH1-OE1 3.28Å; R217-E257 PolarHBondContact NH1-OE1 3.11Å; R217-E257 IonicContact NH2-OE1 3.61Å; R217-E257 PolarHBondContact NH2-OE1 2.82Å; R217-E257 IonicContact NH2-OE2 3.73Å; E257-R290 WeakPolarHBondContact OE2-CD 3.34Å; E257-R290 IonicContact OE2-CZ 2.77Å; E257-R290 IonicContact OE2-NE 2.69Å; E257-R290 IonicContact OE2-NH1 3.15Å; E257-R290 PolarHBondContact OE2-NH1 3.31Å; E257-L291 WeakPolarHBondContact CA-O 3.38Å; E257-V292 HydrophobicContact CG-CG2 4.21Å; E257-R488 PolarHBondContact N-O 3.43Å; E257-R488 WeakPolarHBondContact O-CD 3.48Å; E257-R488 PolarHBondContact O-NH1 3.33Å |
| 258 | F | 94 | Very high | 77.8 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 139 | 179.2 | -55.3 | -94.6 | 0 | 0 | 0 | 110.9 | M256 I260 R290 L291 I293 I306 I378 L407 | M256-F258 HydrophobicContact CB-CE2 3.95Å; M256-F258 HydrophobicContact CB-CZ 4.22Å; M256-F258 HydrophobicContact CE-CD1 4.38Å; M256-F258 HydrophobicContact CE-CE1 3.53Å; M256-F258 HydrophobicContact CE-CZ 3.66Å; M256-F258 HydrophobicContact CG-CD2 4.41Å; M256-F258 HydrophobicContact CG-CE1 4.25Å; M256-F258 HydrophobicContact CG-CE2 3.66Å; M256-F258 HydrophobicContact CG-CZ 3.58Å; M256-F258 HydrophobicContact SD-CE1 3.96Å; M256-F258 HydrophobicContact SD-CE2 4.1Å; M256-F258 HydrophobicContact SD-CZ 3.4Å; M256-F258 WeakPolarHBondContact SD-CZ 3.22Å; F258-I260 PolarHBondContact O-N 3.42Å; F258-R290 CarbonylContact O-C 3.52Å; F258-R290 WeakPolarHBondContact O-CA 3.46Å; F258-L291 PolarHBondContact N-O 3.39Å; F258-L291 PolarHBondContact O-N 3.32Å; F258-I293 HydrophobicContact CD2-CD1 4.19Å; F258-I293 HydrophobicContact CD2-CG1 4.4Å; F258-I293 HydrophobicContact CE2-CB 4.33Å; F258-I293 HydrophobicContact CE2-CD1 4.15Å; F258-I293 HydrophobicContact CE2-CG1 4.39Å; F258-I306 HydrophobicContact CE1-CD1 3.77Å; F258-I306 HydrophobicContact CZ-CD1 3.75Å; F258-I378 HydrophobicContact CB-CB 3.77Å; F258-I378 HydrophobicContact CB-CD1 3.87Å; F258-I378 HydrophobicContact CB-CG1 4.3Å; F258-I378 HydrophobicContact CB-CG2 4.07Å; F258-I378 HydrophobicContact CD1-CD1 3.64Å; F258-I378 HydrophobicContact CD1-CG1 4.45Å; F258-I378 HydrophobicContact CD2-CD1 4.02Å; F258-I378 HydrophobicContact CE1-CD1 4.1Å; F258-I378 HydrophobicContact CE2-CD1 4.47Å; F258-I378 HydrophobicContact CG-CB 4.44Å; F258-I378 HydrophobicContact CG-CD1 3.58Å; F258-I378 HydrophobicContact CG-CG1 4.45Å; F258-I378 HydrophobicContact CZ-CD1 4.48Å; F258-L407 HydrophobicContact CE2-CD1 4.37Å; F258-L407 HydrophobicContact CE2-CD2 4.08Å; F258-L407 HydrophobicContact CZ-CD1 4.08Å; F258-L407 HydrophobicContact CZ-CD2 4.01Å |
| 259 | N | 92.2 | Very high | 75 | Confident | 49 Ų | 49 | 61.1 Ų | 61.1 | 26% | 0.262 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 130.5 | 171.6 | -70 | -7.6 | 0 | 0 | 0 | 108.9 | I378 R379 R488 | N259-I378 CarbonylContact O-C 3.5Å; N259-I378 VanDerWaalsContact O-CA 3.29Å; N259-I378 WeakPolarHBondContact O-CA 3.46Å; N259-R379 PolarHBondContact O-N 3.07Å; N259-R488 PolarHBondContact ND2-NH2 3.38Å; N259-R488 VanDerWaalsContact ND2-NH2 3.19Å; N259-R488 PolarHBondContact OD1-NH1 3.04Å; N259-R488 PolarHBondContact OD1-NH2 3.48Å |
| 260 | I | 91.4 | Very high | 72.1 | Confident | 9 Ų | 9 | 66.3 Ų | 66.3 | 5% | 0.046 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 144 | 173.8 | -163.8 | 178.4 | 0 | 0 | 0 | 110 | F258 I285 E289 Y317 I376 F377 I389 | F258-I260 PolarHBondContact O-N 3.42Å; I260-I285 HydrophobicContact CD1-CD1 4.05Å; I260-I285 HydrophobicContact CG1-CD1 3.91Å; I260-I285 HydrophobicContact CG2-CD1 4.25Å; I260-I285 HydrophobicContact CG2-CG2 3.66Å; I260-E289 HydrophobicContact CG2-CB 3.57Å; I260-E289 HydrophobicContact CG2-CG 3.59Å; I260-E289 PolarHBondContact N-O 3.28Å; I260-Y317 HydrophobicContact CD1-CD1 3.97Å; I260-Y317 HydrophobicContact CD1-CE1 3.6Å; I260-I376 HydrophobicContact CD1-CB 4.25Å; I260-I376 HydrophobicContact CD1-CD1 3.79Å; I260-I376 HydrophobicContact CG1-CB 4.36Å; I260-F377 WeakPolarHBondContact CA-O 3.4Å; I260-F377 WeakPolarHBondContact CG1-O 3.13Å; I260-I389 HydrophobicContact CD1-CD1 4.15Å; I260-I389 HydrophobicContact CG1-CD1 4.29Å |
| 261 | Y | 88.5 | Confident | 69.3 | Low | 51 Ų | 51 | 64.4 Ų | 64.4 | 20% | 0.2 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 158.3 | 177.3 | 69 | -78.1 | 0 | 0 | 0 | 110.9 | I376 F377 R379 S386 | Y261-I376 WeakPolarHBondContact O-CA 2.8Å; Y261-F377 HydrophobicContact CD1-CB 4.16Å; Y261-F377 WeakPolarHBondContact CD1-O 3.37Å; Y261-F377 HydrophobicContact CE1-CB 3.56Å; Y261-F377 HydrophobicContact CE2-CB 4.11Å; Y261-F377 PolarHBondContact N-O 3.29Å; Y261-F377 PolarHBondContact O-N 3.02Å; Y261-R379 HydrophobicContact CD1-CB 4.47Å; Y261-R379 HydrophobicContact CE1-CB 4.14Å; Y261-S386 WeakPolarHBondContact OH-CB 3.39Å; Y261-S386 PolarHBondContact OH-OG 3.18Å |
| 262 | S | 84.6 | Confident | 66.3 | Low | 26 Ų | 26 | 71.2 Ų | 71.2 | 18% | 0.182 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 151 | 176.2 | -174.6 | 0 | 0 | 0 | 0 | 111 | T264 N375 | S262-T264 PolarHBondContact O-N 3.03Å; S262-T264 PolarHBondContact OG-OG1 3.26Å; S262-N375 WeakPolarHBondContact CA-O 3.39Å; S262-N375 PolarHBondContact OG-O 2.75Å |
| 263 | S | 72.8 | Confident | 63.4 | Low | 69 Ų | 69 | 77.5 Ų | 77.5 | 48% | 0.483 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -68.3 | -23.4 | 176.8 | 80.3 | 0 | 0 | 0 | 0 | 113.6 | E265 N375 | S263-E265 PolarHBondContact O-N 2.71Å; S263-N375 PolarHBondContact N-O 2.96Å; S263-N375 PolarHBondContact OG-OD1 2.86Å |
| 264 | T | 61.3 | Low | 60.4 | Low | 68 Ų | 68 | 81.1 Ų | 81.1 | 42% | 0.417 | 43% | 0.431 | S | S | . | . | trans | -94.1 | 84.3 | 178.8 | 39.7 | 0 | 0 | 0 | 0 | 110.1 | S262 H266 | S262-T264 PolarHBondContact O-N 3.03Å; S262-T264 PolarHBondContact OG-OG1 3.26Å; T264-H266 PolarHBondContact O-N 3.39Å | ||
| 265 | E | 41.5 | Very low | 57.4 | Low | 147 Ų | 147 | 90.2 Ų | 90.2 | 69% | 0.687 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -74.2 | -7.6 | 167.6 | -85 | -174.2 | 164.1 | 0 | 0 | 112.8 | S263 | S263-E265 PolarHBondContact O-N 2.71Š|
| 266 | H | 32.6 | Very low | 54.5 | Low | 165 Ų | 165 | 95.4 Ų | 95.4 | 76% | 0.764 | 51% | 0.508 | S | S | * | . | S | Bend | trans | -148 | 139.3 | 173.3 | -66.1 | -67 | 0 | 0 | 0 | 112.1 | T264 | T264-H266 PolarHBondContact O-N 3.39Š|
| 267 | S | 27.4 | Very low | 51.7 | Low | 104 Ų | 104 | 102.5 Ų | 102.5 | 73% | 0.727 | 55% | 0.546 | S | S | * | . | S | Bend | trans | 93.3 | 112 | 168.8 | 70.8 | 0 | 0 | 0 | 0 | 120.2 | ||
| 268 | E | 27.2 | Very low | 49.1 | Very low | 192 Ų | 192 | 105.5 Ų | 105.5 | 90% | 0.897 | 57% | 0.566 | S | S | * | * | trans | 51.2 | 89.5 | 144.7 | -62.5 | -177.3 | 178.6 | 0 | 0 | 119.4 | ||||
| 269 | I | 32.4 | Very low | 46.2 | Very low | 118 Ų | 118 | 108.3 Ų | 108.3 | 61% | 0.605 | 60% | 0.595 | S | S | * | * | trans | -112.7 | 110.4 | 149.7 | -59.5 | 179.5 | 0 | 0 | 0 | 107.2 | P271 I284 | I269-P271 WeakPolarHBondContact O-CD 3.22Å; I269-I284 HydrophobicContact CD1-CD1 3.32Å | ||
| 270 | N | 29.7 | Very low | 43.8 | Very low | 128 Ų | 128 | 112.6 Ų | 112.6 | 68% | 0.684 | 61% | 0.614 | S | S | * | * | trans | -69.7 | 119.1 | 179.2 | -159.3 | -9.2 | 0 | 0 | 0 | 109.2 | Q272 | N270-Q272 PolarHBondContact O-N 3.48Š| ||
| 271 | P | 31 | Very low | 41.4 | Very low | 109 Ų | 109 | 115.2 Ų | 115.2 | 71% | 0.708 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | 11.7 | -168.1 | -16 | 29.8 | 0 | 0 | 0 | 116.2 | I269 | I269-P271 WeakPolarHBondContact O-CD 3.22Š|
| 272 | Q | 30.5 | Very low | 39.1 | Very low | 174 Ų | 174 | 122.3 Ų | 122.3 | 81% | 0.813 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.5 | 3.1 | -169.3 | -71 | -168 | -21.9 | 0 | 0 | 115.4 | N270 | N270-Q272 PolarHBondContact O-N 3.48Š|
| 273 | Q | 29.3 | Very low | 37.4 | Very low | 196 Ų | 196 | 126.7 Ų | 126.7 | 92% | 0.916 | 68% | 0.681 | S | S | * | * | trans | -125.9 | 63.8 | 172 | -76.2 | -173.8 | -14.5 | 0 | 0 | 111.2 | ||||
| 274 | S | 30.3 | Very low | 36.5 | Very low | 82 Ų | 82 | 125.8 Ų | 125.8 | 57% | 0.573 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -116.4 | 122.9 | 162.1 | 61.6 | 0 | 0 | 0 | 0 | 108.3 | S276 | S274-S276 PolarHBondContact O-N 2.98Š|
| 275 | F | 30.3 | Very low | 36.6 | Very low | 191 Ų | 191 | 124 Ų | 124 | 84% | 0.838 | 66% | 0.657 | S | S | * | * | trans | -37.7 | 133.1 | 171.9 | -83.6 | -100.5 | 0 | 0 | 0 | 111.2 | D277 C278 | F275-D277 PolarHBondContact O-N 3.44Å; F275-C278 PolarHBondContact O-N 3.19Å | ||
| 276 | S | 32 | Very low | 37.6 | Very low | 117 Ų | 117 | 119.1 Ų | 119.1 | 82% | 0.818 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.5 | -5.7 | -171.6 | 46.7 | 0 | 0 | 0 | 0 | 115.9 | S274 | S274-S276 PolarHBondContact O-N 2.98Š|
| 277 | D | 35.2 | Very low | 38.9 | Very low | 150 Ų | 150 | 119 Ų | 119 | 80% | 0.802 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.7 | 4.8 | -176.1 | -67 | -17.6 | 0 | 0 | 0 | 114.1 | F275 | F275-D277 PolarHBondContact O-N 3.44Š|
| 278 | C | 36.6 | Very low | 40.8 | Very low | 70 Ų | 70 | 120.7 Ų | 120.7 | 47% | 0.473 | 64% | 0.639 | S | S | . | * | trans | -128.2 | 40.2 | -179.1 | -68.7 | 0 | 0 | 0 | 0 | 113.5 | F275 H280 L281 | F275-C278 PolarHBondContact O-N 3.19Å; C278-H280 PolarHBondContact O-N 3.24Å; C278-L281 PolarHBondContact O-N 2.86Å | ||
| 279 | G | 34.5 | Very low | 43.3 | Very low | 59 Ų | 59 | 112.1 Ų | 112.1 | 61% | 0.608 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60 | 6.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||
| 280 | H | 41.1 | Very low | 45.9 | Very low | 140 Ų | 140 | 111.2 Ų | 111.2 | 65% | 0.648 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.5 | -1.6 | -175.8 | -63.1 | -49.6 | 0 | 0 | 0 | 114.8 | C278 K549 | C278-H280 PolarHBondContact O-N 3.24Å; H280-K549 PolarHBondContact NE2-NZ 2.99Å |
| 281 | L | 41 | Very low | 48.8 | Very low | 64 Ų | 64 | 105.3 Ų | 105.3 | 34% | 0.335 | 56% | 0.556 | S | S | . | * | trans | -113.1 | 51.3 | -176 | -65 | 169.1 | 0 | 0 | 0 | 112.6 | C278 N283 I321 | C278-L281 PolarHBondContact O-N 2.86Å; L281-N283 PolarHBondContact O-N 2.76Å; L281-I321 HydrophobicContact CD1-CD1 3.52Å | ||
| 282 | K | 40.8 | Very low | 51.6 | Low | 200 Ų | 200 | 100.4 Ų | 100.4 | 87% | 0.87 | 52% | 0.524 | S | S | * | . | S | Bend | trans | -61.2 | -22.8 | 174.9 | -81.2 | -172 | 177.1 | -177.6 | 0 | 113.6 | ||
| 283 | N | 48.4 | Very low | 54.5 | Low | 117 Ų | 117 | 92.1 Ų | 92.1 | 63% | 0.626 | 49% | 0.486 | S | S | * | . | S | Bend | trans | -118.9 | 125.7 | 166.4 | -72.9 | -28.6 | 0 | 0 | 0 | 107.7 | L281 I285 | L281-N283 PolarHBondContact O-N 2.76Å; N283-I285 PolarHBondContact O-N 2.74Å |
| 284 | I | 54.7 | Low | 57.5 | Low | 50 Ų | 50 | 84 Ų | 84 | 26% | 0.256 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -57.8 | -35.3 | -178.2 | -61 | 178.9 | 0 | 0 | 0 | 110.7 | I269 Y322 | I269-I284 HydrophobicContact CD1-CD1 3.32Å; I284-Y322 HydrophobicContact CG2-CD1 3.97Å; I284-Y322 HydrophobicContact CG2-CE1 3.99Å |
| 285 | I | 63.2 | Low | 60.5 | Low | 30 Ų | 30 | 80.4 Ų | 80.4 | 15% | 0.154 | 42% | 0.422 | C | S | . | . | S | Bend | trans | -140.1 | 118.1 | 175.5 | -66.5 | 172.9 | 0 | 0 | 0 | 108.1 | I260 N283 E289 I376 | I260-I285 HydrophobicContact CD1-CD1 4.05Å; I260-I285 HydrophobicContact CG1-CD1 3.91Å; I260-I285 HydrophobicContact CG2-CD1 4.25Å; I260-I285 HydrophobicContact CG2-CG2 3.66Å; N283-I285 PolarHBondContact O-N 2.74Å; I285-E289 HydrophobicContact CG2-CB 3.86Å; I285-I376 HydrophobicContact CD1-CB 4.1Å; I285-I376 HydrophobicContact CD1-CG2 3.4Å; I285-I376 VanDerWaalsContact CD1-CG2 3.4Å; I285-I376 HydrophobicContact CG1-CG2 4.37Å |
| 286 | P | 61.2 | Low | 63.4 | Low | 45 Ų | 45 | 75.6 Ų | 75.6 | 29% | 0.292 | 40% | 0.401 | S | S | . | . | trans | -63.7 | 148.3 | 170.2 | -27.8 | 40.8 | 0 | 0 | 0 | 112.3 | N288 E289 | P286-N288 PolarHBondContact O-N 2.93Å; P286-E289 WeakPolarHBondContact CD-OE2 3.07Å; P286-E289 WeakPolarHBondContact O-CB 3.41Å; P286-E289 PolarHBondContact O-N 3.41Å; P286-E289 VanDerWaalsContact O-N 3.15Å | ||
| 287 | Q | 60.1 | Low | 66.3 | Low | 163 Ų | 163 | 73 Ų | 73 | 76% | 0.762 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | 130 | 175.7 | -74 | -179.7 | -10.9 | 0 | 0 | 110.5 | ||
| 288 | N | 67.8 | Low | 69.2 | Low | 139 Ų | 139 | 66.1 Ų | 66.1 | 74% | 0.743 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.9 | 20.4 | -179.5 | -52.1 | -46.5 | 0 | 0 | 0 | 116.8 | P286 | P286-N288 PolarHBondContact O-N 2.93Š|
| 289 | E | 79.8 | Confident | 72 | Confident | 12 Ų | 12 | 62.8 Ų | 62.8 | 6% | 0.056 | 31% | 0.314 | C | S | . | . | trans | -60.2 | 141.1 | 171.9 | -176.6 | 161.9 | -146.3 | 0 | 0 | 112 | P175 R212 I260 I285 P286 | P175-E289 WeakPolarHBondContact CD-OE1 3.45Å; P175-E289 WeakPolarHBondContact CG-OE1 3.19Å; R212-E289 IonicContact CZ-OE1 2.8Å; R212-E289 VanDerWaalsContact CZ-OE1 3.28Å; R212-E289 IonicContact CZ-OE2 3.12Å; R212-E289 IonicContact NH1-OE1 3.34Å; R212-E289 PolarHBondContact NH1-OE1 2.97Å; R212-E289 IonicContact NH1-OE2 2.87Å; R212-E289 IonicContact NH2-OE1 3.16Å; R212-E289 PolarHBondContact NH2-OE1 3.36Å; R212-E289 IonicContact NH2-OE2 3.42Å; R212-E289 PolarHBondContact NH2-OE2 3.21Å; I260-E289 HydrophobicContact CG2-CB 3.57Å; I260-E289 HydrophobicContact CG2-CG 3.59Å; I260-E289 PolarHBondContact N-O 3.28Å; I285-E289 HydrophobicContact CG2-CB 3.86Å; P286-E289 WeakPolarHBondContact CD-OE2 3.07Å; P286-E289 WeakPolarHBondContact O-CB 3.41Å; P286-E289 PolarHBondContact O-N 3.41Å; P286-E289 VanDerWaalsContact O-N 3.15Å | ||
| 290 | R | 87.2 | Confident | 74.9 | Confident | 100 Ų | 100 | 60 Ų | 60 | 38% | 0.377 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 131.6 | -179.5 | -63 | -174.9 | -176.3 | -176.1 | 1.5 | 111.5 | E257 F258 G487 | E257-R290 WeakPolarHBondContact OE2-CD 3.34Å; E257-R290 IonicContact OE2-CZ 2.77Å; E257-R290 IonicContact OE2-NE 2.69Å; E257-R290 IonicContact OE2-NH1 3.15Å; E257-R290 PolarHBondContact OE2-NH1 3.31Å; F258-R290 CarbonylContact O-C 3.52Å; F258-R290 WeakPolarHBondContact O-CA 3.46Å; R290-G487 PolarHBondContact NH1-O 2.82Å |
| 291 | L | 89.3 | Confident | 77.5 | Confident | 3 Ų | 3 | 53.4 Ų | 53.4 | 2% | 0.016 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 122.8 | 168.9 | -176.2 | 59 | 0 | 0 | 0 | 109.6 | E257 F258 I293 V309 Y317 I378 I389 N405 | E257-L291 WeakPolarHBondContact CA-O 3.38Å; F258-L291 PolarHBondContact N-O 3.39Å; F258-L291 PolarHBondContact O-N 3.32Å; L291-I293 HydrophobicContact CD2-CD1 3.8Å; L291-I293 HydrophobicContact CD2-CG1 4.15Å; L291-I293 HydrophobicContact CG-CD1 4.1Å; L291-I293 HydrophobicContact CG-CG1 3.9Å; L291-V309 HydrophobicContact CD2-CG1 4.24Å; L291-Y317 HydrophobicContact CD1-CD2 3.82Å; L291-Y317 HydrophobicContact CD1-CE2 3.25Å; L291-I378 HydrophobicContact CB-CG2 4.15Å; L291-I378 HydrophobicContact CD2-CG2 3.66Å; L291-I389 HydrophobicContact CD2-CD1 4.31Å; L291-N405 WeakPolarHBondContact CD1-ND2 3.45Å |
| 292 | V | 89.7 | Confident | 80.1 | Confident | 6 Ų | 6 | 50.3 Ų | 50.3 | 4% | 0.036 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 126.8 | 174.5 | -173.7 | 0 | 0 | 0 | 0 | 109 | Q255 E257 Y403 | Q255-V292 HydrophobicContact CB-CG1 3.82Å; Q255-V292 HydrophobicContact CG-CG1 3.96Å; E257-V292 HydrophobicContact CG-CG2 4.21Å; V292-Y403 HydrophobicContact CG1-CE1 4.42Å |
| 293 | I | 91.9 | Very high | 82.8 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 135.4 | 177 | -50.9 | 176.3 | 0 | 0 | 0 | 109.3 | Q255 M256 F258 L291 V309 N405 L407 | Q255-I293 CarbonylContact C-O 3.53Å; M256-I293 PolarHBondContact N-O 3.22Å; M256-I293 PolarHBondContact O-N 3.39Å; F258-I293 HydrophobicContact CD2-CD1 4.19Å; F258-I293 HydrophobicContact CD2-CG1 4.4Å; F258-I293 HydrophobicContact CE2-CB 4.33Å; F258-I293 HydrophobicContact CE2-CD1 4.15Å; F258-I293 HydrophobicContact CE2-CG1 4.39Å; L291-I293 HydrophobicContact CD2-CD1 3.8Å; L291-I293 HydrophobicContact CD2-CG1 4.15Å; L291-I293 HydrophobicContact CG-CD1 4.1Å; L291-I293 HydrophobicContact CG-CG1 3.9Å; I293-V309 HydrophobicContact CD1-CB 4.34Å; I293-V309 HydrophobicContact CD1-CG1 3.64Å; I293-V309 HydrophobicContact CD1-CG2 3.7Å; I293-N405 HydrophobicContact CG1-CB 4.22Å; I293-N405 WeakPolarHBondContact CG2-O 3.5Å; I293-L407 HydrophobicContact CB-CD2 4.44Å; I293-L407 HydrophobicContact CB-CG 4.3Å; I293-L407 HydrophobicContact CD1-CD2 3.58Å; I293-L407 HydrophobicContact CD1-CG 4.28Å; I293-L407 HydrophobicContact CG2-CD2 4.25Å; I293-L407 HydrophobicContact CG2-CG 3.76Å |
| 294 | F | 92.7 | Very high | 85 | Confident | 26 Ų | 26 | 35.2 Ų | 35.2 | 11% | 0.114 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 140.3 | 172.9 | 174.9 | -88.1 | 0 | 0 | 0 | 110.7 | T254 K296 Y403 N495 | T254-F294 WeakPolarHBondContact O-CA 3.42Å; F294-K296 HydrophobicContact CE1-CG 3.63Å; F294-K296 HydrophobicContact CZ-CG 4.05Å; F294-Y403 HydrophobicContact CB-CD1 3.95Å; F294-Y403 HydrophobicContact CB-CD2 3.48Å; F294-Y403 VanDerWaalsContact CB-CD2 3.48Å; F294-Y403 HydrophobicContact CB-CE1 4.33Å; F294-Y403 HydrophobicContact CB-CE2 3.92Å; F294-Y403 HydrophobicContact CB-CG 3.51Å; F294-Y403 HydrophobicContact CD2-CD2 4.48Å; F294-Y403 HydrophobicContact CD2-CE2 4.23Å; F294-Y403 HydrophobicContact CG-CD2 4.1Å; F294-Y403 HydrophobicContact CG-CE2 4.31Å; F294-N495 HydrophobicContact CD1-CB 3.6Å; F294-N495 HydrophobicContact CD2-CB 4.26Å; F294-N495 HydrophobicContact CE1-CB 3.37Å; F294-N495 HydrophobicContact CE2-CB 4.05Å; F294-N495 HydrophobicContact CG-CB 4.04Å; F294-N495 HydrophobicContact CZ-CB 3.6Å |
| 295 | T | 92.5 | Very high | 86.9 | Confident | 6 Ų | 6 | 32.9 Ų | 32.9 | 4% | 0.037 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 137.7 | 171.5 | -178.6 | 0 | 0 | 0 | 0 | 111.4 | G253 T254 Y297 A301 | G253-T295 CarbonylContact C-O 3.46Å; G253-T295 VanDerWaalsContact CA-O 3.24Å; G253-T295 WeakPolarHBondContact CA-O 3.44Å; T254-T295 HydrophobicContact CG2-CG2 4.14Å; T254-T295 PolarHBondContact N-O 3Å; T254-T295 PolarHBondContact O-N 3.26Å; T295-Y297 VanDerWaalsContact C-N 3.26Å; T295-Y297 PolarHBondContact OG1-N 3.14Å; T295-Y297 PolarHBondContact OG1-O 3.22Å; T295-A301 HydrophobicContact CG2-CB 4.25Å |
| 296 | K | 91.8 | Very high | 88.4 | Confident | 91 Ų | 91 | 31.4 Ų | 31.4 | 40% | 0.396 | 15% | 0.148 | S | C | . | . | S | Bend | trans | -79.1 | -12.9 | 166.5 | -63 | -169.5 | 176.6 | 179.9 | 0 | 112.6 | F294 P298 | F294-K296 HydrophobicContact CE1-CG 3.63Å; F294-K296 HydrophobicContact CZ-CG 4.05Å; K296-P298 VanDerWaalsContact O-CD 3.27Å; K296-P298 WeakPolarHBondContact O-CD 3.38Å |
| 297 | Y | 93 | Very high | 89.8 | Confident | 61 Ų | 61 | 29.4 Ų | 29.4 | 24% | 0.239 | 14% | 0.136 | C | C | . | . | trans | -122.3 | 66.4 | -173.4 | -51.5 | -66.2 | 0 | 0 | 0 | 111.1 | T295 S299 L300 A301 F409 E452 L455 M476 | T295-Y297 VanDerWaalsContact C-N 3.26Å; T295-Y297 PolarHBondContact OG1-N 3.14Å; T295-Y297 PolarHBondContact OG1-O 3.22Å; Y297-S299 PolarHBondContact O-N 3.24Å; Y297-L300 HydrophobicContact CD2-CD1 4.47Å; Y297-L300 HydrophobicContact CG-CD1 4.07Å; Y297-L300 PolarHBondContact O-N 3.06Å; Y297-A301 PolarHBondContact O-N 2.76Å; Y297-A301 VanDerWaalsContact O-N 3.14Å; Y297-F409 HydrophobicContact CD2-CE2 4.3Å; Y297-E452 HydrophobicContact CE1-CG 4.2Å; Y297-L455 HydrophobicContact CD1-CD2 3.98Å; Y297-L455 HydrophobicContact CE1-CD2 3.67Å; Y297-M476 HydrophobicContact CD1-CE 4.01Å | ||
| 298 | P | 95.3 | Very high | 91.4 | Very high | 6 Ų | 6 | 21.7 Ų | 21.7 | 4% | 0.039 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -59.1 | -31.9 | 178 | 22.9 | -33 | 0 | 0 | 0 | 112.7 | T254 K296 A301 V302 M476 A479 M480 L483 | T254-P298 HydrophobicContact CG2-CB 3.78Å; T254-P298 HydrophobicContact CG2-CG 4.24Å; K296-P298 VanDerWaalsContact O-CD 3.27Å; K296-P298 WeakPolarHBondContact O-CD 3.38Å; P298-A301 PolarHBondContact O-N 3.28Å; P298-V302 WeakPolarHBondContact O-CB 3.31Å; P298-V302 VanDerWaalsContact O-CG2 3.29Å; P298-V302 WeakPolarHBondContact O-CG2 3.36Å; P298-V302 PolarHBondContact O-N 3.45Å; P298-M476 HydrophobicContact CG-SD 3.71Å; P298-A479 HydrophobicContact CB-CB 4.26Å; P298-M480 HydrophobicContact CB-SD 4.03Å; P298-M480 HydrophobicContact CG-CG 4.17Å; P298-M480 HydrophobicContact CG-SD 3.84Å; P298-L483 HydrophobicContact CB-CD1 4.02Å |
| 299 | S | 95.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -62.1 | -44.1 | 176.7 | 50.4 | 0 | 0 | 0 | 0 | 112.7 | Y297 A303 V472 M476 | Y297-S299 PolarHBondContact O-N 3.24Å; S299-A303 WeakPolarHBondContact O-CB 3.47Å; S299-A303 PolarHBondContact O-N 3.04Å; S299-V472 WeakPolarHBondContact CB-O 3.49Å; S299-V472 WeakPolarHBondContact OG-CG1 3.4Å; S299-V472 PolarHBondContact OG-O 3.4Å; S299-V472 VanDerWaalsContact OG-O 3.08Å; S299-M476 WeakPolarHBondContact OG-CE 3.48Å; S299-M476 PolarHBondContact OG-SD 2.84Å |
| 300 | L | 95.6 | Very high | 93.1 | Very high | 2 Ų | 2 | 16.3 Ų | 16.3 | 1% | 0.01 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -66 | -41 | 175.2 | -56.3 | -175.9 | 0 | 0 | 0 | 111.9 | Y297 D304 L305 F409 L433 L455 L460 V472 | Y297-L300 HydrophobicContact CD2-CD1 4.47Å; Y297-L300 HydrophobicContact CG-CD1 4.07Å; Y297-L300 PolarHBondContact O-N 3.06Å; L300-D304 PolarHBondContact O-N 3.18Å; L300-L305 HydrophobicContact CD2-CD2 4.25Å; L300-L305 PolarHBondContact O-N 2.99Å; L300-L305 VanDerWaalsContact O-N 3.15Å; L300-F409 HydrophobicContact CB-CD1 3.75Å; L300-F409 HydrophobicContact CB-CE1 3.73Å; L300-F409 HydrophobicContact CB-CG 4.33Å; L300-F409 HydrophobicContact CB-CZ 4.29Å; L300-F409 HydrophobicContact CD1-CD1 4.47Å; L300-F409 HydrophobicContact CD1-CD2 4.38Å; L300-F409 HydrophobicContact CD1-CG 4.23Å; L300-L433 HydrophobicContact CD2-CD1 4.46Å; L300-L433 HydrophobicContact CD2-CD2 4.07Å; L300-L455 HydrophobicContact CD1-CD1 4.32Å; L300-L455 HydrophobicContact CD1-CD2 4.26Å; L300-L460 HydrophobicContact CD2-CD2 4.09Å; L300-V472 HydrophobicContact CD2-CG1 4.02Å; L300-V472 HydrophobicContact CD2-CG2 3.69Å; L300-V472 HydrophobicContact CG-CG1 4.42Å |
| 301 | A | 95.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -65 | -50.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | M256 T295 Y297 P298 A303 D304 I306 H380 L407 F409 | M256-A301 HydrophobicContact SD-CB 3.71Å; T295-A301 HydrophobicContact CG2-CB 4.25Å; Y297-A301 PolarHBondContact O-N 2.76Å; Y297-A301 VanDerWaalsContact O-N 3.14Å; P298-A301 PolarHBondContact O-N 3.28Å; A301-A303 VanDerWaalsContact C-N 3.33Å; A301-A303 PolarHBondContact O-N 3.15Å; A301-D304 PolarHBondContact O-N 2.77Å; A301-I306 HydrophobicContact CB-CD1 4.29Å; A301-H380 PolarHBondContact O-NE2 3.48Å; A301-L407 HydrophobicContact CB-CD1 4.02Å; A301-F409 HydrophobicContact CB-CE1 4Å; A301-F409 HydrophobicContact CB-CZ 4.22Å |
| 302 | V | 97.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -64.5 | -38.5 | 179 | 175 | 0 | 0 | 0 | 0 | 111.4 | P298 D304 H380 F382 I464 L467 A479 I482 L483 | P298-V302 WeakPolarHBondContact O-CB 3.31Å; P298-V302 VanDerWaalsContact O-CG2 3.29Å; P298-V302 WeakPolarHBondContact O-CG2 3.36Å; P298-V302 PolarHBondContact O-N 3.45Å; V302-D304 PolarHBondContact O-N 3.45Å; V302-H380 PolarHBondContact O-CE1 2.87Å; V302-F382 HydrophobicContact CB-CE2 4.33Å; V302-F382 HydrophobicContact CG1-CD2 3.97Å; V302-F382 HydrophobicContact CG1-CE2 3.97Å; V302-F382 HydrophobicContact CG2-CE2 3.97Å; V302-I464 HydrophobicContact CG1-CG2 4.45Å; V302-I464 VanDerWaalsContact O-CG1 3.3Å; V302-I464 WeakPolarHBondContact O-CG1 3.38Å; V302-L467 HydrophobicContact CB-CD1 3.94Å; V302-L467 HydrophobicContact CG1-CD1 3.63Å; V302-A479 HydrophobicContact CB-CB 4.02Å; V302-A479 HydrophobicContact CG2-CB 3.83Å; V302-I482 HydrophobicContact CG1-CB 4.34Å; V302-I482 HydrophobicContact CG1-CD1 4.05Å; V302-I482 HydrophobicContact CG1-CG2 3.93Å; V302-L483 HydrophobicContact CG2-CD1 3.98Å; V302-L483 HydrophobicContact CG2-CD2 3.86Å; V302-L483 HydrophobicContact CG2-CG 3.65Å |
| 303 | A | 96.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 7% | 0.066 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | 2.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | S299 A301 L305 L460 T462 L467 | S299-A303 WeakPolarHBondContact O-CB 3.47Å; S299-A303 PolarHBondContact O-N 3.04Å; A301-A303 VanDerWaalsContact C-N 3.33Å; A301-A303 PolarHBondContact O-N 3.15Å; A303-L305 HydrophobicContact CB-CD1 3.46Å; A303-L305 VanDerWaalsContact CB-CD1 3.46Å; A303-L460 HydrophobicContact CB-CD1 4.2Å; A303-L460 HydrophobicContact CB-CD2 3.89Å; A303-T462 WeakPolarHBondContact CA-OG1 3.22Å; A303-T462 HydrophobicContact CB-CG2 3.96Å; A303-T462 WeakPolarHBondContact O-CB 3.45Å; A303-T462 PolarHBondContact O-OG1 3.42Å; A303-L467 HydrophobicContact CB-CD1 4.21Å |
| 304 | D | 95 | Very high | 91.9 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.4 | 47.6 | 179 | -161.4 | 16.3 | 0 | 0 | 0 | 113.6 | L300 A301 V302 I306 H380 T383 R385 P429 P430 G431 | L300-D304 PolarHBondContact O-N 3.18Å; A301-D304 PolarHBondContact O-N 2.77Å; V302-D304 PolarHBondContact O-N 3.45Å; D304-I306 VanDerWaalsContact C-N 3.34Å; D304-H380 IonicContact OD1-CD2 3.19Å; D304-H380 IonicContact OD1-CG 2.99Å; D304-H380 IonicContact OD1-ND1 2.64Å; D304-H380 IonicContact OD2-ND1 3.63Å; D304-T383 HydrophobicContact CB-CG2 3.74Å; D304-T383 VanDerWaalsContact OD2-CB 3.29Å; D304-T383 WeakPolarHBondContact OD2-CB 3.38Å; D304-T383 WeakPolarHBondContact OD2-CG2 3.37Å; D304-T383 PolarHBondContact OD2-OG1 3.07Å; D304-R385 IonicContact OD1-CZ 3.65Å; D304-R385 IonicContact OD1-NE 3.15Å; D304-R385 PolarHBondContact OD1-NE 3.09Å; D304-R385 VanDerWaalsContact OD1-NE 3.13Å; D304-R385 IonicContact OD1-NH2 2.71Å; D304-R385 PolarHBondContact OD1-NH2 3.43Å; D304-R385 IonicContact OD2-NE 2.74Å; D304-R385 PolarHBondContact OD2-NE 2.97Å; D304-P429 WeakPolarHBondContact O-CB 3.38Å; D304-P430 HydrophobicContact CB-CG 4.1Å; D304-P430 WeakPolarHBondContact OD2-CD 3.34Å; D304-P430 WeakPolarHBondContact OD2-CG 3.29Å; D304-G431 PolarHBondContact O-N 3.39Å |
| 305 | L | 94.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 8% | 0.083 | C | C | . | . | trans | -92.4 | 8.2 | 170.6 | -76.8 | 84.3 | 0 | 0 | 0 | 112.8 | L300 A303 S307 F409 S410 L433 L460 | L300-L305 HydrophobicContact CD2-CD2 4.25Å; L300-L305 PolarHBondContact O-N 2.99Å; L300-L305 VanDerWaalsContact O-N 3.15Å; A303-L305 HydrophobicContact CB-CD1 3.46Å; A303-L305 VanDerWaalsContact CB-CD1 3.46Å; L305-S307 PolarHBondContact O-N 3.31Å; L305-F409 HydrophobicContact CB-CD1 4.32Å; L305-F409 CarbonylContact O-C 3.57Å; L305-F409 WeakPolarHBondContact O-CA 3.46Å; L305-S410 PolarHBondContact O-N 3.18Å; L305-L433 HydrophobicContact CD2-CD1 4.48Å; L305-L433 HydrophobicContact CD2-CD2 4.13Å; L305-L433 HydrophobicContact CD2-CG 3.79Å; L305-L460 HydrophobicContact CD1-CD2 3.86Å | ||
| 306 | I | 93.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 119.9 | -176.1 | -56.7 | 168.6 | 0 | 0 | 0 | 109 | F258 A301 D304 R385 I387 L407 V408 F409 | F258-I306 HydrophobicContact CE1-CD1 3.77Å; F258-I306 HydrophobicContact CZ-CD1 3.75Å; A301-I306 HydrophobicContact CB-CD1 4.29Å; D304-I306 VanDerWaalsContact C-N 3.34Å; I306-R385 PolarHBondContact O-NH1 3.31Å; I306-R385 PolarHBondContact O-NH2 2.94Å; I306-I387 HydrophobicContact CB-CD1 4Å; I306-I387 HydrophobicContact CD1-CD1 4.19Å; I306-I387 HydrophobicContact CG2-CD1 3.98Å; I306-I387 HydrophobicContact CG2-CG2 3.88Å; I306-L407 HydrophobicContact CD1-CD1 4Å; I306-L407 HydrophobicContact CD1-CD2 4.07Å; I306-L407 HydrophobicContact CG1-CD1 4.36Å; I306-L407 HydrophobicContact CG1-CD2 4.47Å; I306-L407 HydrophobicContact CG2-CD2 3.96Å; I306-V408 CarbonylContact C-O 3.57Å; I306-F409 HydrophobicContact CG1-CD1 4.19Å; I306-F409 HydrophobicContact CG1-CE1 3.85Å |
| 307 | S | 92.3 | Very high | 91.1 | Very high | 3 Ų | 3 | 12.8 Ų | 12.8 | 2% | 0.021 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | -57.4 | 171.4 | 171.5 | 0 | 0 | 0 | 0 | 110.2 | L305 V408 T415 S421 | L305-S307 PolarHBondContact O-N 3.31Å; S307-V408 PolarHBondContact N-O 3.1Å; S307-T415 VanDerWaalsContact CB-CG2 3.45Å; S307-S421 PolarHBondContact OG-OG 3.44Å |
| 308 | H | 92.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 171.4 | -175 | 61.5 | -94.9 | 0 | 0 | 0 | 111.2 | P388 I390 V408 D417 I426 | H308-P388 WeakPolarHBondContact CA-O 3.36Å; H308-P388 HydrophobicContact CB-CG 3.93Å; H308-P388 WeakPolarHBondContact CB-O 3.27Å; H308-I390 HydrophobicContact CB-CD1 3.82Å; H308-I390 HydrophobicContact CB-CG1 4.15Å; H308-I390 WeakPolarHBondContact CD2-CD1 3.43Å; H308-I390 VanDerWaalsContact CG-CD1 3.4Å; H308-V408 WeakPolarHBondContact NE2-CG2 3.26Å; H308-V408 PolarHBondContact O-N 3.4Å; H308-D417 IonicContact CE1-OD2 3.83Å; H308-D417 PolarHBondContact CE1-OD2 2.83Å; H308-D417 IonicContact NE2-OD2 2.77Å; H308-D417 PolarHBondContact NE2-OD2 2.95Å; H308-I426 HydrophobicContact CB-CD1 4.1Å |
| 309 | V | 92.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 131.4 | 169 | -179.4 | 0 | 0 | 0 | 0 | 109.2 | L291 I293 V311 I378 I387 P388 I389 I390 N405 E406 L407 | L291-V309 HydrophobicContact CD2-CG1 4.24Å; I293-V309 HydrophobicContact CD1-CB 4.34Å; I293-V309 HydrophobicContact CD1-CG1 3.64Å; I293-V309 HydrophobicContact CD1-CG2 3.7Å; V309-V311 HydrophobicContact CG1-CG1 4.13Å; V309-I378 HydrophobicContact CG2-CD1 3.28Å; V309-I378 HydrophobicContact CG2-CG1 4.01Å; V309-I387 HydrophobicContact CG2-CG2 4.43Å; V309-P388 PolarHBondContact N-O 3.04Å; V309-I389 HydrophobicContact CB-CG1 4.24Å; V309-I389 HydrophobicContact CB-CG2 4.3Å; V309-I389 HydrophobicContact CG1-CG2 4.36Å; V309-I389 CarbonylContact O-C 3.56Å; V309-I389 WeakPolarHBondContact O-CA 3.18Å; V309-I390 PolarHBondContact O-N 3.11Å; V309-N405 HydrophobicContact CG1-CB 4.29Å; V309-E406 WeakPolarHBondContact CA-O 3.37Å; V309-L407 HydrophobicContact CG2-CD2 4.12Å |
| 310 | K | 90.1 | Very high | 89.6 | Confident | 39 Ų | 39 | 17.3 Ų | 17.3 | 17% | 0.17 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 129.8 | 174.2 | 178 | 170.5 | 173.2 | 143.7 | 0 | 110.4 | E392 N405 E406 V408 | K310-E392 WeakPolarHBondContact CD-OE2 3.44Å; K310-E392 WeakPolarHBondContact CE-OE2 3.39Å; K310-E392 IonicContact NZ-OE1 3.57Å; K310-E392 IonicContact NZ-OE2 3.47Å; K310-E392 PolarHBondContact NZ-OE2 3.35Å; K310-N405 WeakPolarHBondContact O-CA 3.47Å; K310-E406 HydrophobicContact CB-CB 4.4Å; K310-E406 PolarHBondContact N-O 3.4Å; K310-E406 PolarHBondContact O-N 2.86Å; K310-V408 HydrophobicContact CB-CG2 4.09Å |
| 311 | V | 89.1 | Confident | 89.1 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 125.8 | 175.2 | -54.8 | 0 | 0 | 0 | 0 | 110.8 | V309 L374 I389 I390 R391 E392 N405 | V309-V311 HydrophobicContact CG1-CG1 4.13Å; V311-L374 HydrophobicContact CG2-CD1 3.78Å; V311-I389 HydrophobicContact CB-CG2 4.39Å; V311-I389 HydrophobicContact CG1-CG2 3.48Å; V311-I389 VanDerWaalsContact CG1-CG2 3.48Å; V311-I389 HydrophobicContact CG2-CG2 3.96Å; V311-I390 WeakPolarHBondContact CG2-O 3.39Å; V311-I390 PolarHBondContact N-O 3.14Å; V311-R391 HydrophobicContact CG2-CB 4.4Å; V311-E392 PolarHBondContact O-N 2.84Å; V311-N405 HydrophobicContact CG1-CB 4.39Å; V311-N405 WeakPolarHBondContact CG1-OD1 3.4Å |
| 312 | G | 84.6 | Confident | 88.7 | Confident | 7 Ų | 7 | 21.6 Ų | 21.6 | 7% | 0.072 | 12% | 0.12 | C | C | . | . | trans | -106.3 | -178.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | D314 S315 F318 | G312-D314 PolarHBondContact O-N 2.76Å; G312-S315 VanDerWaalsContact O-CB 3.28Å; G312-S315 WeakPolarHBondContact O-CB 3.28Å; G312-S315 PolarHBondContact O-N 2.77Å; G312-F318 VanDerWaalsContact O-CB 3.3Å; G312-F318 WeakPolarHBondContact O-CB 3.34Å; G312-F318 WeakPolarHBondContact O-CD2 3.39Å | ||
| 313 | P | 80.8 | Confident | 88.3 | Confident | 44 Ų | 44 | 22.5 Ų | 22.5 | 29% | 0.286 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -27.7 | -175.3 | -27.5 | 34.4 | 0 | 0 | 0 | 115.9 | S315 F318 | P313-S315 PolarHBondContact O-N 2.69Å; P313-F318 HydrophobicContact CB-CD1 4.35Å; P313-F318 HydrophobicContact CB-CE1 4.14Å; P313-F318 HydrophobicContact CB-CZ 4.29Å; P313-F318 HydrophobicContact CG-CE1 4.07Å; P313-F318 HydrophobicContact CG-CE2 4.09Å; P313-F318 HydrophobicContact CG-CZ 3.74Å |
| 314 | D | 79.2 | Confident | 87.8 | Confident | 87 Ų | 87 | 24.7 Ų | 24.7 | 47% | 0.465 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -5.1 | 178.5 | -62.5 | -36.9 | 0 | 0 | 0 | 113.6 | Y177 G312 P404 | Y177-D314 WeakPolarHBondContact CD2-O 3.14Å; G312-D314 PolarHBondContact O-N 2.76Å; D314-P404 HydrophobicContact CB-CB 3.96Å; D314-P404 WeakPolarHBondContact O-CB 3.35Å |
| 315 | S | 85.8 | Confident | 87.2 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -91.2 | 134.5 | 177.5 | -176.7 | 0 | 0 | 0 | 0 | 111.1 | Y177 G312 P313 Y317 F318 N405 | Y177-S315 VanDerWaalsContact CE2-C 3.46Å; G312-S315 VanDerWaalsContact O-CB 3.28Å; G312-S315 WeakPolarHBondContact O-CB 3.28Å; G312-S315 PolarHBondContact O-N 2.77Å; P313-S315 PolarHBondContact O-N 2.69Å; S315-Y317 PolarHBondContact O-N 3.38Å; S315-Y317 VanDerWaalsContact O-N 3.11Å; S315-Y317 PolarHBondContact OG-N 2.91Å; S315-F318 WeakPolarHBondContact O-CB 3.31Å; S315-F318 PolarHBondContact O-N 2.95Å; S315-N405 WeakPolarHBondContact CB-OD1 3.31Å; S315-N405 PolarHBondContact OG-OD1 2.64Å |
| 316 | V | 86.2 | Confident | 86.5 | Confident | 14 Ų | 14 | 33.2 Ų | 33.2 | 9% | 0.085 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -57.4 | -26.4 | 171.7 | -66.8 | 0 | 0 | 0 | 0 | 112.6 | P175 Y177 P210 F318 Y322 | P175-V316 HydrophobicContact CB-CB 4.47Å; P175-V316 HydrophobicContact CB-CG2 4Å; P175-V316 HydrophobicContact CG-CG2 4.15Å; Y177-V316 HydrophobicContact CD2-CG1 3.62Å; Y177-V316 HydrophobicContact CE2-CG1 4Å; Y177-V316 HydrophobicContact CG-CG1 4.1Å; Y177-V316 VanDerWaalsContact N-CG1 3.29Å; P210-V316 HydrophobicContact CB-CG1 4.38Å; V316-F318 PolarHBondContact O-N 3.15Å; V316-Y322 VanDerWaalsContact O-CE2 3.26Å; V316-Y322 WeakPolarHBondContact O-CE2 3.23Å |
| 317 | Y | 88.1 | Confident | 85.9 | Confident | 6 Ų | 6 | 39.1 Ų | 39.1 | 2% | 0.024 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -78.2 | -3.8 | 179.1 | -58.6 | -73.9 | 0 | 0 | 0 | 113.5 | P175 I260 L291 S315 A319 Y322 L374 I376 | P175-Y317 HydrophobicContact CG-CE1 4.44Å; I260-Y317 HydrophobicContact CD1-CD1 3.97Å; I260-Y317 HydrophobicContact CD1-CE1 3.6Å; L291-Y317 HydrophobicContact CD1-CD2 3.82Å; L291-Y317 HydrophobicContact CD1-CE2 3.25Å; S315-Y317 PolarHBondContact O-N 3.38Å; S315-Y317 VanDerWaalsContact O-N 3.11Å; S315-Y317 PolarHBondContact OG-N 2.91Å; Y317-A319 VanDerWaalsContact C-N 3.27Å; Y317-Y322 HydrophobicContact CD1-CD2 4.5Å; Y317-Y322 HydrophobicContact CD1-CE1 4.23Å; Y317-Y322 HydrophobicContact CD1-CE2 4.14Å; Y317-Y322 AromaticContact CD1-CZ 3.98Å; Y317-Y322 WeakPolarHBondContact O-CD2 3.28Å; Y317-L374 VanDerWaalsContact O-CD1 3.31Å; Y317-L374 WeakPolarHBondContact O-CD1 3.46Å; Y317-I376 HydrophobicContact CD1-CD1 3.83Å; Y317-I376 HydrophobicContact CG-CD1 4.37Å |
| 318 | F | 86.9 | Confident | 85.4 | Confident | 28 Ų | 28 | 44.7 Ų | 44.7 | 12% | 0.123 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -77.2 | -14.4 | 174.5 | -167.9 | -96.8 | 0 | 0 | 0 | 113.4 | G312 P313 S315 V316 R391 E392 N393 | G312-F318 VanDerWaalsContact O-CB 3.3Å; G312-F318 WeakPolarHBondContact O-CB 3.34Å; G312-F318 WeakPolarHBondContact O-CD2 3.39Å; P313-F318 HydrophobicContact CB-CD1 4.35Å; P313-F318 HydrophobicContact CB-CE1 4.14Å; P313-F318 HydrophobicContact CB-CZ 4.29Å; P313-F318 HydrophobicContact CG-CE1 4.07Å; P313-F318 HydrophobicContact CG-CE2 4.09Å; P313-F318 HydrophobicContact CG-CZ 3.74Å; S315-F318 WeakPolarHBondContact O-CB 3.31Å; S315-F318 PolarHBondContact O-N 2.95Å; V316-F318 PolarHBondContact O-N 3.15Å; F318-R391 HydrophobicContact CD2-CG 3.63Å; F318-R391 HydrophobicContact CE2-CG 3.6Å; F318-R391 HydrophobicContact CG-CG 4.43Å; F318-R391 HydrophobicContact CZ-CG 4.38Å; F318-R391 PolarHBondContact O-NE 3.34Å; F318-R391 VanDerWaalsContact O-NE 3.11Å; F318-E392 WeakPolarHBondContact CE2-O 3.28Å; F318-N393 WeakPolarHBondContact CZ-OD1 3.38Å |
| 319 | A | 84 | Confident | 84.9 | Confident | 35 Ų | 35 | 46.4 Ų | 46.4 | 29% | 0.289 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -59.9 | 148.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y317 I321 Y322 | Y317-A319 VanDerWaalsContact C-N 3.27Å; A319-I321 HydrophobicContact CB-CG1 4.1Å; A319-I321 PolarHBondContact O-N 2.77Å; A319-Y322 HydrophobicContact CB-CD2 4.13Å; A319-Y322 HydrophobicContact CB-CE2 4.21Å; A319-Y322 PolarHBondContact O-N 2.88Å; A319-Y322 VanDerWaalsContact O-N 3.12Å |
| 320 | D | 82.7 | Confident | 84.1 | Confident | 99 Ų | 99 | 51.7 Ų | 51.7 | 53% | 0.529 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -60.2 | -25.1 | -173.6 | -74.8 | -47.7 | 0 | 0 | 0 | 114.2 | Y322 R323 | D320-Y322 PolarHBondContact O-N 3.31Å; D320-R323 VanDerWaalsContact O-CB 3.31Å; D320-R323 WeakPolarHBondContact O-CB 3.47Å; D320-R323 WeakPolarHBondContact O-CG 3.33Å; D320-R323 PolarHBondContact O-N 2.86Å; D320-R323 VanDerWaalsContact O-N 3.08Å; D320-R323 WeakPolarHBondContact OD1-CD 3.36Å; D320-R323 IonicContact OD1-CZ 3.75Å; D320-R323 IonicContact OD1-NE 3.75Å; D320-R323 IonicContact OD1-NH1 2.91Å; D320-R323 PolarHBondContact OD1-NH1 3.2Å |
| 321 | I | 84.2 | Confident | 83.4 | Confident | 84 Ų | 84 | 53.3 Ų | 53.3 | 43% | 0.431 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -61.1 | -24.7 | 178.3 | 62.5 | 171.2 | 0 | 0 | 0 | 113.7 | L281 A319 | L281-I321 HydrophobicContact CD1-CD1 3.52Å; A319-I321 HydrophobicContact CB-CG1 4.1Å; A319-I321 PolarHBondContact O-N 2.77Å |
| 322 | Y | 87.7 | Confident | 82.8 | Confident | 7 Ų | 7 | 53.4 Ų | 53.4 | 3% | 0.027 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -91.1 | -7.7 | -179.7 | -60 | -65.8 | 0 | 0 | 0 | 112.4 | I284 V316 Y317 A319 D320 N375 I376 | I284-Y322 HydrophobicContact CG2-CD1 3.97Å; I284-Y322 HydrophobicContact CG2-CE1 3.99Å; V316-Y322 VanDerWaalsContact O-CE2 3.26Å; V316-Y322 WeakPolarHBondContact O-CE2 3.23Å; Y317-Y322 HydrophobicContact CD1-CD2 4.5Å; Y317-Y322 HydrophobicContact CD1-CE1 4.23Å; Y317-Y322 HydrophobicContact CD1-CE2 4.14Å; Y317-Y322 AromaticContact CD1-CZ 3.98Å; Y317-Y322 WeakPolarHBondContact O-CD2 3.28Å; A319-Y322 HydrophobicContact CB-CD2 4.13Å; A319-Y322 HydrophobicContact CB-CE2 4.21Å; A319-Y322 PolarHBondContact O-N 2.88Å; A319-Y322 VanDerWaalsContact O-N 3.12Å; D320-Y322 PolarHBondContact O-N 3.31Å; Y322-N375 WeakPolarHBondContact O-CB 3.32Å; Y322-N375 PolarHBondContact O-N 3.47Å; Y322-I376 HydrophobicContact CD1-CD1 3.74Å; Y322-I376 HydrophobicContact CD1-CG1 4.42Å; Y322-I376 HydrophobicContact CD1-CG2 3.98Å; Y322-I376 HydrophobicContact CE1-CD1 4.48Å; Y322-I376 HydrophobicContact CG-CD1 3.84Å |
| 323 | R | 87.7 | Confident | 82.4 | Confident | 19 Ų | 19 | 57.2 Ų | 57.2 | 7% | 0.072 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -74 | 154.4 | 179.7 | -57.7 | 175.6 | 69.3 | -178.5 | 1.6 | 109.6 | D320 S368 E372 L374 | D320-R323 VanDerWaalsContact O-CB 3.31Å; D320-R323 WeakPolarHBondContact O-CB 3.47Å; D320-R323 WeakPolarHBondContact O-CG 3.33Å; D320-R323 PolarHBondContact O-N 2.86Å; D320-R323 VanDerWaalsContact O-N 3.08Å; D320-R323 WeakPolarHBondContact OD1-CD 3.36Å; D320-R323 IonicContact OD1-CZ 3.75Å; D320-R323 IonicContact OD1-NE 3.75Å; D320-R323 IonicContact OD1-NH1 2.91Å; D320-R323 PolarHBondContact OD1-NH1 3.2Å; R323-S368 PolarHBondContact NH1-OG 3.17Å; R323-S368 PolarHBondContact NH2-OG 3.01Å; R323-E372 WeakPolarHBondContact CG-OE1 3.42Å; R323-E372 IonicContact CZ-OE1 3.43Å; R323-E372 IonicContact CZ-OE2 3.77Å; R323-E372 IonicContact NE-OE1 2.68Å; R323-E372 PolarHBondContact NE-OE1 3.46Å; R323-E372 IonicContact NE-OE2 3.75Å; R323-E372 IonicContact NH2-OE1 3.31Å; R323-E372 PolarHBondContact NH2-OE1 3.01Å; R323-E372 IonicContact NH2-OE2 2.88Å; R323-E372 PolarHBondContact NH2-OE2 3.37Å; R323-L374 HydrophobicContact CG-CD2 4.02Å |
| 324 | K | 85.8 | Confident | 81.9 | Confident | 46 Ų | 46 | 56.5 Ų | 56.5 | 20% | 0.2 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -60.4 | 157 | 169.4 | -67.3 | 177.8 | -177.3 | 172.3 | 0 | 110.1 | E326 K328 R329 I373 N375 | K324-E326 PolarHBondContact O-N 2.88Å; K324-K328 HydrophobicContact CB-CB 4.09Å; K324-K328 HydrophobicContact CD-CB 4.37Å; K324-K328 WeakPolarHBondContact CD-O 3.45Å; K324-R329 HydrophobicContact CB-CG 4.42Å; K324-R329 PolarHBondContact O-NE 2.91Å; K324-R329 PolarHBondContact O-NH2 3.35Å; K324-I373 VanDerWaalsContact CE-O 3.32Å; K324-I373 WeakPolarHBondContact CE-O 3.49Å; K324-N375 HydrophobicContact CG-CB 4.12Å |
| 325 | P | 83.4 | Confident | 81.2 | Confident | 60 Ų | 60 | 63 Ų | 63 | 39% | 0.39 | 30% | 0.304 | S | S | . | . | P | Polyproline II helix | trans | -49 | 143.4 | 168 | -26.8 | 35 | 0 | 0 | 0 | 110.6 | H327 K328 | P325-H327 VanDerWaalsContact C-N 3.25Å; P325-H327 VanDerWaalsContact CB-CE1 3.49Å; P325-H327 WeakPolarHBondContact CB-CE1 3.38Å; P325-H327 PolarHBondContact O-N 3.34Å; P325-H327 VanDerWaalsContact O-N 3.08Å; P325-K328 WeakPolarHBondContact O-CA 3.43Å; P325-K328 PolarHBondContact O-N 3.14Å |
| 326 | E | 78 | Confident | 80.6 | Confident | 119 Ų | 119 | 70 Ų | 70 | 56% | 0.556 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -47.6 | -46.4 | -171 | -73.4 | -172.7 | 165.5 | 0 | 0 | 113.4 | K324 K328 R329 F333 | K324-E326 PolarHBondContact O-N 2.88Å; E326-K328 PolarHBondContact O-N 3.45Å; E326-R329 WeakPolarHBondContact O-CB 3.35Å; E326-R329 PolarHBondContact O-N 3.34Å; E326-R329 VanDerWaalsContact O-N 3.13Å; E326-F333 HydrophobicContact CB-CD2 3.92Å; E326-F333 HydrophobicContact CB-CE2 3.92Å; E326-F333 VanDerWaalsContact O-CB 3.23Å; E326-F333 WeakPolarHBondContact O-CB 3.15Å; E326-F333 WeakPolarHBondContact O-CD2 3.3Å; E326-F333 WeakPolarHBondContact O-CG 3.39Å |
| 327 | H | 81.7 | Confident | 80.1 | Confident | 124 Ų | 124 | 75.2 Ų | 75.2 | 57% | 0.574 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -64.8 | -8.8 | -179.8 | 67 | -87.2 | 0 | 0 | 0 | 115.4 | P325 F333 | P325-H327 VanDerWaalsContact C-N 3.25Å; P325-H327 VanDerWaalsContact CB-CE1 3.49Å; P325-H327 WeakPolarHBondContact CB-CE1 3.38Å; P325-H327 PolarHBondContact O-N 3.34Å; P325-H327 VanDerWaalsContact O-N 3.08Å; H327-F333 HydrophobicContact CB-CE1 4.3Å; H327-F333 HydrophobicContact CB-CZ 4.3Å |
| 328 | K | 83 | Confident | 79.6 | Confident | 121 Ų | 121 | 76.2 Ų | 76.2 | 53% | 0.526 | 37% | 0.366 | S | S | . | . | G | 310 helix | trans | -112.3 | 15.9 | 177.7 | -60.6 | -172.3 | 178.8 | 179.2 | 0 | 113.1 | K324 P325 E326 D330 | K324-K328 HydrophobicContact CB-CB 4.09Å; K324-K328 HydrophobicContact CD-CB 4.37Å; K324-K328 WeakPolarHBondContact CD-O 3.45Å; P325-K328 WeakPolarHBondContact O-CA 3.43Å; P325-K328 PolarHBondContact O-N 3.14Å; E326-K328 PolarHBondContact O-N 3.45Å; K328-D330 VanDerWaalsContact C-N 3.33Å |
| 329 | R | 81 | Confident | 79.2 | Confident | 36 Ų | 36 | 80.4 Ų | 80.4 | 14% | 0.136 | 39% | 0.389 | C | S | . | . | trans | -93.5 | 21.2 | -179.5 | -58.9 | -178.2 | -174.8 | 167.6 | 0.2 | 113.7 | K324 E326 L331 N332 F333 | K324-R329 HydrophobicContact CB-CG 4.42Å; K324-R329 PolarHBondContact O-NE 2.91Å; K324-R329 PolarHBondContact O-NH2 3.35Å; E326-R329 WeakPolarHBondContact O-CB 3.35Å; E326-R329 PolarHBondContact O-N 3.34Å; E326-R329 VanDerWaalsContact O-N 3.13Å; R329-L331 PolarHBondContact O-N 2.88Å; R329-N332 HydrophobicContact CB-CB 4.19Å; R329-N332 WeakPolarHBondContact O-CB 3.36Å; R329-N332 PolarHBondContact O-N 3.46Å; R329-F333 HydrophobicContact CB-CB 4.34Å; R329-F333 PolarHBondContact O-N 2.88Å | ||
| 330 | D | 76.3 | Confident | 78.5 | Confident | 110 Ų | 110 | 80.6 Ų | 80.6 | 59% | 0.588 | 38% | 0.384 | S | S | * | . | G | 310 helix | trans | 45.4 | -117.9 | 174.9 | -53.4 | -40.4 | 0 | 0 | 0 | 113.3 | K328 N332 F333 | K328-D330 VanDerWaalsContact C-N 3.33Å; D330-N332 PolarHBondContact O-N 3.43Å; D330-F333 PolarHBondContact O-N 3.34Å; D330-F333 VanDerWaalsContact O-N 3.12Å |
| 331 | L | 74.4 | Confident | 77.8 | Confident | 73 Ų | 73 | 78.2 Ų | 78.2 | 38% | 0.382 | 38% | 0.375 | S | S | . | . | G | 310 helix | trans | -58.2 | -34 | -179.7 | -68.9 | 171.3 | 0 | 0 | 0 | 113.2 | R329 F333 S334 C364 W370 L423 | R329-L331 PolarHBondContact O-N 2.88Å; L331-F333 VanDerWaalsContact C-N 3.32Å; L331-F333 PolarHBondContact O-N 2.79Å; L331-S334 WeakPolarHBondContact O-CB 3.39Å; L331-S334 PolarHBondContact O-N 3.19Å; L331-S334 PolarHBondContact O-OG 3.28Å; L331-C364 PolarHBondContact O-SG 2.84Å; L331-C364 VanDerWaalsContact O-SG 3.36Å; L331-W370 HydrophobicContact CB-CB 4.37Å; L331-W370 HydrophobicContact CB-CG 4.27Å; L331-W370 HydrophobicContact CD1-CG 4.48Å; L331-L423 HydrophobicContact CD1-CD1 4.32Å |
| 332 | N | 77.4 | Confident | 76.4 | Confident | 3 Ų | 3 | 78.7 Ų | 78.7 | 2% | 0.016 | 38% | 0.378 | C | S | . | . | G | 310 helix | trans | -76.9 | -15.3 | -179.1 | -72 | -35.3 | 0 | 0 | 0 | 113.4 | R329 D330 T365 S368 W370 E372 | R329-N332 HydrophobicContact CB-CB 4.19Å; R329-N332 WeakPolarHBondContact O-CB 3.36Å; R329-N332 PolarHBondContact O-N 3.46Å; D330-N332 PolarHBondContact O-N 3.43Å; N332-T365 WeakPolarHBondContact O-CA 3.38Å; N332-S368 VanDerWaalsContact OD1-C 3.26Å; N332-S368 WeakPolarHBondContact OD1-CA 3.2Å; N332-W370 PolarHBondContact ND2-O 3.31Å; N332-W370 WeakPolarHBondContact OD1-CB 3.23Å; N332-W370 PolarHBondContact OD1-N 3.31Å; N332-W370 VanDerWaalsContact OD1-N 3.07Å; N332-E372 WeakPolarHBondContact CB-OE2 3.47Å; N332-E372 PolarHBondContact ND2-OE2 3.03Å |
| 333 | F | 76.2 | Confident | 74.7 | Confident | 87 Ų | 87 | 85.9 Ų | 85.9 | 38% | 0.382 | 41% | 0.405 | S | S | . | . | G | 310 helix | trans | -85.9 | -10.1 | 170.1 | -170.9 | -118 | 0 | 0 | 0 | 113 | E326 H327 R329 D330 L331 R335 T365 | E326-F333 HydrophobicContact CB-CD2 3.92Å; E326-F333 HydrophobicContact CB-CE2 3.92Å; E326-F333 VanDerWaalsContact O-CB 3.23Å; E326-F333 WeakPolarHBondContact O-CB 3.15Å; E326-F333 WeakPolarHBondContact O-CD2 3.3Å; E326-F333 WeakPolarHBondContact O-CG 3.39Å; H327-F333 HydrophobicContact CB-CE1 4.3Å; H327-F333 HydrophobicContact CB-CZ 4.3Å; R329-F333 HydrophobicContact CB-CB 4.34Å; R329-F333 PolarHBondContact O-N 2.88Å; D330-F333 PolarHBondContact O-N 3.34Å; D330-F333 VanDerWaalsContact O-N 3.12Å; L331-F333 VanDerWaalsContact C-N 3.32Å; L331-F333 PolarHBondContact O-N 2.79Å; F333-R335 PolarHBondContact O-N 2.86Å; F333-T365 HydrophobicContact CD2-CG2 4.44Å; F333-T365 WeakPolarHBondContact O-CG2 3.45Å |
| 334 | S | 69.5 | Low | 72.5 | Confident | 28 Ų | 28 | 90.6 Ų | 90.6 | 20% | 0.196 | 43% | 0.432 | C | S | . | . | trans | -63.1 | 131.2 | -176.6 | 76.7 | 0 | 0 | 0 | 0 | 110.4 | L331 K336 C364 | L331-S334 WeakPolarHBondContact O-CB 3.39Å; L331-S334 PolarHBondContact O-N 3.19Å; L331-S334 PolarHBondContact O-OG 3.28Å; S334-K336 PolarHBondContact O-N 3.17Å; S334-C364 WeakPolarHBondContact O-CB 3.41Å | ||
| 335 | R | 65.2 | Low | 70.4 | Confident | 225 Ų | 225 | 94.1 Ų | 94.1 | 85% | 0.849 | 45% | 0.453 | S | S | * | . | trans | -68.1 | 13.3 | 173.2 | -66.3 | -172.2 | -179.3 | -174.3 | 0.9 | 113.1 | F333 L337 | F333-R335 PolarHBondContact O-N 2.86Å; R335-L337 PolarHBondContact O-N 3.39Å | ||
| 336 | K | 73.3 | Confident | 68.1 | Low | 145 Ų | 145 | 95 Ų | 95 | 63% | 0.63 | 46% | 0.461 | S | S | * | . | trans | -65.7 | 133 | 179.2 | -66.1 | 179.3 | -179.4 | 178.7 | 0 | 108.6 | S334 C364 | S334-K336 PolarHBondContact O-N 3.17Å; K336-C364 WeakPolarHBondContact O-CB 3.35Å; K336-C364 PolarHBondContact O-N 2.92Å | ||
| 337 | L | 76.3 | Confident | 66.1 | Low | 124 Ų | 124 | 94.5 Ų | 94.5 | 65% | 0.649 | 46% | 0.455 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 135 | 167.9 | -67.7 | 173.6 | 0 | 0 | 0 | 108 | R335 I361 | R335-L337 PolarHBondContact O-N 3.39Å; L337-I361 HydrophobicContact CB-CG2 3.92Å; L337-I361 HydrophobicContact CD1-CG2 4.16Å; L337-I361 HydrophobicContact CD2-CG2 4.17Å; L337-I361 HydrophobicContact CG-CG2 4.31Å |
| 338 | I | 76 | Confident | 63.6 | Low | 28 Ų | 28 | 94.2 Ų | 94.2 | 14% | 0.144 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 141.3 | 175.4 | 61.3 | 178.1 | 0 | 0 | 0 | 109.3 | I361 T362 C364 I367 P369 | I338-I361 WeakPolarHBondContact O-CA 3.47Å; I338-T362 WeakPolarHBondContact CG1-O 3.44Å; I338-T362 PolarHBondContact N-O 2.88Å; I338-T362 PolarHBondContact O-N 3.17Å; I338-T362 VanDerWaalsContact O-N 3.11Å; I338-C364 HydrophobicContact CD1-CB 4.48Å; I338-C364 HydrophobicContact CG2-CB 4.2Å; I338-I367 HydrophobicContact CD1-CD1 3.37Å; I338-I367 HydrophobicContact CD1-CG1 3.79Å; I338-I367 HydrophobicContact CG1-CD1 3.53Å; I338-I367 HydrophobicContact CG1-CG1 4.26Å; I338-P369 HydrophobicContact CD1-CB 3.82Å; I338-P369 HydrophobicContact CD1-CG 3.27Å |
| 339 | L | 78.7 | Confident | 61.3 | Low | 115 Ų | 115 | 96.2 Ų | 96.2 | 60% | 0.602 | 47% | 0.472 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 119.8 | 171.1 | -169.9 | 79 | 0 | 0 | 0 | 107.3 | L359 I361 | L339-L359 HydrophobicContact CD1-CB 4.14Å; L339-L359 HydrophobicContact CD2-CD1 4.25Å; L339-L359 HydrophobicContact CD2-CD2 4.33Å; L339-L359 HydrophobicContact CG-CB 4.37Å; L339-L359 HydrophobicContact CG-CD2 4.26Å; L339-I361 HydrophobicContact CD1-CD1 4.29Å; L339-I361 HydrophobicContact CD1-CG1 3.58Å |
| 340 | H | 71 | Confident | 58.9 | Low | 40 Ų | 40 | 98 Ų | 98 | 19% | 0.185 | 50% | 0.501 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 151.5 | 179.7 | 75.4 | 108.1 | 0 | 0 | 0 | 111.2 | N342 S360 T362 I367 | H340-N342 PolarHBondContact CE1-OD1 3.5Å; H340-S360 PolarHBondContact CD2-O 3.35Å; H340-S360 VanDerWaalsContact CD2-O 3.24Å; H340-S360 PolarHBondContact CD2-OG 2.89Å; H340-S360 PolarHBondContact CE1-OG 3.06Å; H340-S360 VanDerWaalsContact CE1-OG 3.26Å; H340-S360 PolarHBondContact N-O 3.26Å; H340-S360 PolarHBondContact NE2-OG 3.4Å; H340-S360 PolarHBondContact O-N 3.12Å; H340-S360 PolarHBondContact O-OG 3.36Å; H340-T362 PolarHBondContact NE2-OG1 3.42Å; H340-I367 HydrophobicContact CB-CD1 4.47Å; H340-I367 WeakPolarHBondContact CD2-CD1 3.45Å; H340-I367 VanDerWaalsContact NE2-CD1 3.32Å; H340-I367 WeakPolarHBondContact NE2-CD1 3.29Å |
| 341 | S | 67.2 | Low | 56.7 | Low | 49 Ų | 49 | 96.7 Ų | 96.7 | 34% | 0.343 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 124.2 | 171.6 | 56 | 0 | 0 | 0 | 0 | 109.2 | W343 | S341-W343 VanDerWaalsContact C-N 3.32Å; S341-W343 PolarHBondContact O-N 2.98Å |
| 342 | N | 55 | Low | 54.5 | Low | 93 Ų | 93 | 101.1 Ų | 101.1 | 50% | 0.497 | 53% | 0.525 | S | S | . | . | trans | -66.5 | 94.4 | 169.3 | -79.2 | -19 | 0 | 0 | 0 | 108.8 | H340 D344 S360 | H340-N342 PolarHBondContact CE1-OD1 3.5Å; N342-D344 PolarHBondContact O-N 3.39Å; N342-S360 PolarHBondContact OD1-OG 3.19Å | ||
| 343 | W | 52.2 | Low | 52.3 | Low | 158 Ų | 158 | 107.2 Ų | 107.2 | 60% | 0.598 | 56% | 0.557 | S | S | * | * | trans | -77.8 | 100.6 | 164.7 | -151.5 | -60.3 | 0 | 0 | 0 | 106.3 | S341 N345 | S341-W343 VanDerWaalsContact C-N 3.32Å; S341-W343 PolarHBondContact O-N 2.98Å; W343-N345 PolarHBondContact O-N 3.05Å | ||
| 344 | D | 41.3 | Very low | 50.2 | Low | 119 Ų | 119 | 110.7 Ų | 110.7 | 64% | 0.636 | 58% | 0.58 | S | S | * | * | trans | -59.9 | 110 | 173.9 | -103.6 | -24.2 | 0 | 0 | 0 | 108.3 | N342 S346 | N342-D344 PolarHBondContact O-N 3.39Å; D344-S346 PolarHBondContact O-N 3.47Å; D344-S346 VanDerWaalsContact O-N 3.09Å | ||
| 345 | N | 41.5 | Very low | 48.9 | Very low | 119 Ų | 119 | 116.8 Ų | 116.8 | 64% | 0.636 | 61% | 0.605 | S | S | * | * | trans | -71.4 | 6.5 | 178.2 | -91.1 | -20.5 | 0 | 0 | 0 | 113.1 | W343 Y347 | W343-N345 PolarHBondContact O-N 3.05Å; N345-Y347 PolarHBondContact O-N 3.44Å; N345-Y347 VanDerWaalsContact O-N 3.09Å | ||
| 346 | S | 34.9 | Very low | 47.9 | Very low | 79 Ų | 79 | 113.2 Ų | 113.2 | 55% | 0.552 | 60% | 0.603 | S | S | * | * | trans | -80 | 89.6 | 172.8 | 60.7 | 0 | 0 | 0 | 0 | 110.3 | D344 N348 | D344-S346 PolarHBondContact O-N 3.47Å; D344-S346 VanDerWaalsContact O-N 3.09Å; S346-N348 PolarHBondContact O-N 3.23Å | ||
| 347 | Y | 35.1 | Very low | 46.9 | Very low | 109 Ų | 109 | 111.4 Ų | 111.4 | 43% | 0.427 | 60% | 0.6 | S | S | . | * | trans | -63.5 | 82.2 | 161.6 | -85.6 | -80 | 0 | 0 | 0 | 110.6 | N345 K398 | N345-Y347 PolarHBondContact O-N 3.44Å; N345-Y347 VanDerWaalsContact O-N 3.09Å; Y347-K398 HydrophobicContact CD1-CD 4.45Å; Y347-K398 HydrophobicContact CE1-CD 3.39Å; Y347-K398 HydrophobicContact CE1-CG 3.48Å; Y347-K398 VanDerWaalsContact CE1-CG 3.48Å; Y347-K398 HydrophobicContact CE2-CG 4.27Å; Y347-K398 WeakPolarHBondContact OH-CD 3.49Å; Y347-K398 WeakPolarHBondContact OH-CE 3.33Å; Y347-K398 WeakPolarHBondContact OH-CG 3.38Å | ||
| 348 | N | 30.9 | Very low | 46 | Very low | 117 Ų | 117 | 113.6 Ų | 113.6 | 63% | 0.626 | 60% | 0.604 | S | S | * | * | trans | -92.2 | 94.3 | 155.7 | -86.3 | -24.8 | 0 | 0 | 0 | 107.9 | K205 S346 G350 | K205-N348 PolarHBondContact NZ-OD1 2.92Å; S346-N348 PolarHBondContact O-N 3.23Å; N348-G350 VanDerWaalsContact C-N 3.27Å; N348-G350 PolarHBondContact O-N 3.35Å | ||
| 349 | I | 34.3 | Very low | 45.7 | Very low | 164 Ų | 164 | 117.7 Ų | 117.7 | 84% | 0.841 | 63% | 0.626 | S | S | * | * | trans | -67.1 | 89.2 | 168.3 | -58.3 | 171.5 | 0 | 0 | 0 | 106.4 | ||||
| 350 | G | 29.4 | Very low | 45.5 | Very low | 72 Ų | 72 | 113.5 Ų | 113.5 | 74% | 0.742 | 61% | 0.606 | S | S | * | * | trans | 160.4 | 34.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | N348 | N348-G350 VanDerWaalsContact C-N 3.27Å; N348-G350 PolarHBondContact O-N 3.35Å | ||
| 351 | S | 30.2 | Very low | 45.9 | Very low | 83 Ų | 83 | 117.1 Ų | 117.1 | 58% | 0.58 | 63% | 0.626 | S | S | * | * | trans | -157.6 | 119.4 | 157.5 | 62.5 | 0 | 0 | 0 | 0 | 110.7 | N353 | S351-N353 PolarHBondContact O-N 3.25Š| ||
| 352 | N | 28.6 | Very low | 46.3 | Very low | 167 Ų | 167 | 116.9 Ų | 116.9 | 89% | 0.893 | 62% | 0.623 | S | S | * | * | trans | -59.6 | 102.1 | 157.8 | -85.3 | -17.1 | 0 | 0 | 0 | 107.4 | ||||
| 353 | N | 31.5 | Very low | 47.3 | Very low | 130 Ų | 130 | 113.7 Ų | 113.7 | 70% | 0.695 | 61% | 0.607 | S | S | * | * | trans | -155.7 | 135.3 | 162.3 | -93.6 | -29.1 | 0 | 0 | 0 | 111 | S351 H355 | S351-N353 PolarHBondContact O-N 3.25Å; N353-H355 PolarHBondContact O-N 3.09Å | ||
| 354 | N | 32.8 | Very low | 48.2 | Very low | 160 Ų | 160 | 106.1 Ų | 106.1 | 86% | 0.856 | 58% | 0.579 | S | S | * | * | trans | -43.1 | 105.7 | 175.8 | -74.2 | -29.7 | 0 | 0 | 0 | 112.4 | N356 | N354-N356 PolarHBondContact O-N 3.19Š| ||
| 355 | H | 42.3 | Very low | 49.6 | Very low | 157 Ų | 157 | 103.1 Ų | 103.1 | 73% | 0.727 | 56% | 0.564 | S | S | * | * | trans | -74.6 | 96.6 | 164.7 | -73.7 | -64.9 | 0 | 0 | 0 | 108.7 | N353 N357 | N353-H355 PolarHBondContact O-N 3.09Å; H355-N357 PolarHBondContact O-N 3.28Å; H355-N357 VanDerWaalsContact O-N 3.07Å | ||
| 356 | N | 42.5 | Very low | 50.9 | Low | 150 Ų | 150 | 101.5 Ų | 101.5 | 80% | 0.802 | 56% | 0.563 | S | S | * | * | trans | -63.8 | 104.3 | 162.3 | -90.4 | -18.2 | 0 | 0 | 0 | 108 | N354 K358 | N354-N356 PolarHBondContact O-N 3.19Å; N356-K358 PolarHBondContact O-N 2.89Å | ||
| 357 | N | 52.7 | Low | 52.6 | Low | 107 Ų | 107 | 100.2 Ų | 100.2 | 57% | 0.572 | 55% | 0.549 | S | S | * | . | trans | -62.2 | 82.9 | 168.1 | -77 | -14.6 | 0 | 0 | 0 | 109.4 | H355 L359 | H355-N357 PolarHBondContact O-N 3.28Å; H355-N357 VanDerWaalsContact O-N 3.07Å; N357-L359 PolarHBondContact O-N 3.1Å | ||
| 358 | K | 58.3 | Low | 54.4 | Low | 169 Ų | 169 | 95.1 Ų | 95.1 | 74% | 0.735 | 53% | 0.53 | S | S | * | . | trans | -70.2 | 112.6 | 172.8 | -121.7 | 178.9 | -179.3 | 179.4 | 0 | 107.6 | N356 S360 | N356-K358 PolarHBondContact O-N 2.89Å; K358-S360 PolarHBondContact O-N 2.98Å | ||
| 359 | L | 70.4 | Confident | 56.3 | Low | 114 Ų | 114 | 91.6 Ų | 91.6 | 60% | 0.597 | 51% | 0.513 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 129.1 | 167.2 | -69 | 165.8 | 0 | 0 | 0 | 107.9 | L339 N357 | L339-L359 HydrophobicContact CD1-CB 4.14Å; L339-L359 HydrophobicContact CD2-CD1 4.25Å; L339-L359 HydrophobicContact CD2-CD2 4.33Å; L339-L359 HydrophobicContact CG-CB 4.37Å; L339-L359 HydrophobicContact CG-CD2 4.26Å; N357-L359 PolarHBondContact O-N 3.1Å |
| 360 | S | 73.3 | Confident | 58.5 | Low | 27 Ų | 27 | 89.8 Ų | 89.8 | 19% | 0.189 | 50% | 0.495 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 145.5 | 177.1 | 63.7 | 0 | 0 | 0 | 0 | 109.8 | H340 N342 K358 | H340-S360 PolarHBondContact CD2-O 3.35Å; H340-S360 VanDerWaalsContact CD2-O 3.24Å; H340-S360 PolarHBondContact CD2-OG 2.89Å; H340-S360 PolarHBondContact CE1-OG 3.06Å; H340-S360 VanDerWaalsContact CE1-OG 3.26Å; H340-S360 PolarHBondContact N-O 3.26Å; H340-S360 PolarHBondContact NE2-OG 3.4Å; H340-S360 PolarHBondContact O-N 3.12Å; H340-S360 PolarHBondContact O-OG 3.36Å; N342-S360 PolarHBondContact OD1-OG 3.19Å; K358-S360 PolarHBondContact O-N 2.98Å |
| 361 | I | 79.7 | Confident | 61.2 | Low | 117 Ų | 117 | 87.2 Ų | 87.2 | 60% | 0.6 | 47% | 0.466 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 124.7 | 176.7 | -61.1 | 172.1 | 0 | 0 | 0 | 106.7 | L337 I338 L339 | L337-I361 HydrophobicContact CB-CG2 3.92Å; L337-I361 HydrophobicContact CD1-CG2 4.16Å; L337-I361 HydrophobicContact CD2-CG2 4.17Å; L337-I361 HydrophobicContact CG-CG2 4.31Å; I338-I361 WeakPolarHBondContact O-CA 3.47Å; L339-I361 HydrophobicContact CD1-CD1 4.29Å; L339-I361 HydrophobicContact CD1-CG1 3.58Å |
| 362 | T | 75.6 | Confident | 63.9 | Low | 44 Ų | 44 | 83.6 Ų | 83.6 | 27% | 0.27 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 158.8 | 176.9 | -42 | 0 | 0 | 0 | 0 | 108.9 | I338 H340 I367 | I338-T362 WeakPolarHBondContact CG1-O 3.44Å; I338-T362 PolarHBondContact N-O 2.88Å; I338-T362 PolarHBondContact O-N 3.17Å; I338-T362 VanDerWaalsContact O-N 3.11Å; H340-T362 PolarHBondContact NE2-OG1 3.42Å; T362-I367 HydrophobicContact CG2-CD1 4.36Å; T362-I367 HydrophobicContact CG2-CG1 4.32Å |
| 363 | S | 75.1 | Confident | 66.9 | Low | 25 Ų | 25 | 76.9 Ų | 76.9 | 18% | 0.175 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 143.5 | 173.6 | -168.9 | 0 | 0 | 0 | 0 | 111 | T365 S366 I367 | S363-T365 PolarHBondContact O-N 3.32Å; S363-T365 PolarHBondContact OG-OG1 2.77Å; S363-T365 VanDerWaalsContact OG-OG1 3.07Å; S363-S366 WeakPolarHBondContact O-CB 3.26Å; S363-S366 PolarHBondContact O-N 2.98Å; S363-I367 VanDerWaalsContact O-CG1 3.27Å; S363-I367 WeakPolarHBondContact O-CG1 3.03Å |
| 364 | C | 71.7 | Confident | 69.7 | Low | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -55.1 | -33.8 | 173.5 | -160 | 0 | 0 | 0 | 0 | 111.6 | L331 S334 K336 I338 S366 S368 P369 | L331-C364 PolarHBondContact O-SG 2.84Å; L331-C364 VanDerWaalsContact O-SG 3.36Å; S334-C364 WeakPolarHBondContact O-CB 3.41Å; K336-C364 WeakPolarHBondContact O-CB 3.35Å; K336-C364 PolarHBondContact O-N 2.92Å; I338-C364 HydrophobicContact CD1-CB 4.48Å; I338-C364 HydrophobicContact CG2-CB 4.2Å; C364-S366 VanDerWaalsContact C-N 3.27Å; C364-S366 PolarHBondContact O-N 2.6Å; C364-S368 VanDerWaalsContact O-CA 3.24Å; C364-S368 WeakPolarHBondContact O-CA 3.34Å; C364-S368 PolarHBondContact O-N 3.19Å; C364-P369 WeakPolarHBondContact SG-CD 3.46Å |
| 365 | T | 70.1 | Confident | 72.5 | Confident | 55 Ų | 55 | 64.1 Ų | 64.1 | 34% | 0.337 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62.2 | -32.1 | 176.3 | 55.7 | 0 | 0 | 0 | 0 | 113.3 | N332 F333 S363 | N332-T365 WeakPolarHBondContact O-CA 3.38Å; F333-T365 HydrophobicContact CD2-CG2 4.44Å; F333-T365 WeakPolarHBondContact O-CG2 3.45Å; S363-T365 PolarHBondContact O-N 3.32Å; S363-T365 PolarHBondContact OG-OG1 2.77Å; S363-T365 VanDerWaalsContact OG-OG1 3.07Å |
| 366 | S | 70.5 | Confident | 74.8 | Confident | 86 Ų | 86 | 56.7 Ų | 56.7 | 60% | 0.601 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -78.4 | -34.7 | -175.7 | -54.8 | 0 | 0 | 0 | 0 | 113.4 | S363 C364 | S363-S366 WeakPolarHBondContact O-CB 3.26Å; S363-S366 PolarHBondContact O-N 2.98Å; C364-S366 VanDerWaalsContact C-N 3.27Å; C364-S366 PolarHBondContact O-N 2.6Å |
| 367 | I | 69.9 | Low | 77.3 | Confident | 51 Ų | 51 | 51.4 Ų | 51.4 | 26% | 0.262 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -114 | -19.5 | -172.1 | 22.7 | 176.4 | 0 | 0 | 0 | 112.8 | I338 H340 T362 S363 N393 | I338-I367 HydrophobicContact CD1-CD1 3.37Å; I338-I367 HydrophobicContact CD1-CG1 3.79Å; I338-I367 HydrophobicContact CG1-CD1 3.53Å; I338-I367 HydrophobicContact CG1-CG1 4.26Å; H340-I367 HydrophobicContact CB-CD1 4.47Å; H340-I367 WeakPolarHBondContact CD2-CD1 3.45Å; H340-I367 VanDerWaalsContact NE2-CD1 3.32Å; H340-I367 WeakPolarHBondContact NE2-CD1 3.29Å; T362-I367 HydrophobicContact CG2-CD1 4.36Å; T362-I367 HydrophobicContact CG2-CG1 4.32Å; S363-I367 VanDerWaalsContact O-CG1 3.27Å; S363-I367 WeakPolarHBondContact O-CG1 3.03Å; I367-N393 PolarHBondContact O-ND2 3.4Å; I367-N393 VanDerWaalsContact O-ND2 3.09Å |
| 368 | S | 71.9 | Confident | 79.2 | Confident | 3 Ų | 3 | 46.3 Ų | 46.3 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | trans | 45.1 | 60 | 176.5 | -59 | 0 | 0 | 0 | 0 | 112.5 | R323 N332 C364 W370 N393 | R323-S368 PolarHBondContact NH1-OG 3.17Å; R323-S368 PolarHBondContact NH2-OG 3.01Å; N332-S368 VanDerWaalsContact OD1-C 3.26Å; N332-S368 WeakPolarHBondContact OD1-CA 3.2Å; C364-S368 VanDerWaalsContact O-CA 3.24Å; C364-S368 WeakPolarHBondContact O-CA 3.34Å; C364-S368 PolarHBondContact O-N 3.19Å; S368-W370 VanDerWaalsContact C-N 3.26Å; S368-W370 PolarHBondContact O-N 3.42Å; S368-N393 PolarHBondContact O-ND2 3.26Å | ||
| 369 | P | 72.6 | Confident | 80.9 | Confident | 42 Ų | 42 | 43.8 Ų | 43.8 | 27% | 0.273 | 23% | 0.23 | S | C | . | . | trans | -70.4 | -22.8 | -168.7 | 37.2 | -44.7 | 0 | 0 | 0 | 113.1 | I338 C364 | I338-P369 HydrophobicContact CD1-CB 3.82Å; I338-P369 HydrophobicContact CD1-CG 3.27Å; C364-P369 WeakPolarHBondContact SG-CD 3.46Å | ||
| 370 | W | 79.9 | Confident | 82.1 | Confident | 126 Ų | 126 | 38.4 Ų | 38.4 | 48% | 0.477 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -89.6 | 149.9 | -170.4 | -59.7 | 110 | 0 | 0 | 0 | 110 | L331 N332 S368 | L331-W370 HydrophobicContact CB-CB 4.37Å; L331-W370 HydrophobicContact CB-CG 4.27Å; L331-W370 HydrophobicContact CD1-CG 4.48Å; N332-W370 PolarHBondContact ND2-O 3.31Å; N332-W370 WeakPolarHBondContact OD1-CB 3.23Å; N332-W370 PolarHBondContact OD1-N 3.31Å; N332-W370 VanDerWaalsContact OD1-N 3.07Å; S368-W370 VanDerWaalsContact C-N 3.26Å; S368-W370 PolarHBondContact O-N 3.42Å |
| 371 | P | 85.3 | Confident | 83.1 | Confident | 19 Ų | 19 | 38.9 Ų | 38.9 | 12% | 0.123 | 20% | 0.204 | C | C | . | . | trans | -61.3 | 141.9 | 173 | -23 | 37.6 | 0 | 0 | 0 | 110.8 | I390 R391 E392 L420 L424 | P371-I390 HydrophobicContact CB-CG2 4.04Å; P371-R391 VanDerWaalsContact CA-O 3.27Å; P371-R391 WeakPolarHBondContact CA-O 3.26Å; P371-E392 HydrophobicContact CB-CG 3.94Å; P371-E392 HydrophobicContact CG-CG 3.66Å; P371-L420 HydrophobicContact CB-CD1 3.58Å; P371-L420 HydrophobicContact CB-CD2 4.48Å; P371-L420 HydrophobicContact CB-CG 4.45Å; P371-L420 HydrophobicContact CG-CD1 3.44Å; P371-L420 VanDerWaalsContact CG-CD1 3.44Å; P371-L424 HydrophobicContact CB-CD1 4.34Å | ||
| 372 | E | 88.1 | Confident | 83.8 | Confident | 6 Ų | 6 | 36.1 Ų | 36.1 | 3% | 0.028 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 145.8 | 179.6 | 59.6 | 175 | -138.3 | 0 | 0 | 112.4 | R323 N332 L374 I390 R391 | R323-E372 WeakPolarHBondContact CG-OE1 3.42Å; R323-E372 IonicContact CZ-OE1 3.43Å; R323-E372 IonicContact CZ-OE2 3.77Å; R323-E372 IonicContact NE-OE1 2.68Å; R323-E372 PolarHBondContact NE-OE1 3.46Å; R323-E372 IonicContact NE-OE2 3.75Å; R323-E372 IonicContact NH2-OE1 3.31Å; R323-E372 PolarHBondContact NH2-OE1 3.01Å; R323-E372 IonicContact NH2-OE2 2.88Å; R323-E372 PolarHBondContact NH2-OE2 3.37Å; N332-E372 WeakPolarHBondContact CB-OE2 3.47Å; N332-E372 PolarHBondContact ND2-OE2 3.03Å; E372-L374 PolarHBondContact O-N 2.95Å; E372-I390 WeakPolarHBondContact O-CA 3.47Å; E372-R391 HydrophobicContact CG-CB 4.08Å; E372-R391 PolarHBondContact N-O 3.02Å; E372-R391 PolarHBondContact O-N 2.97Å |
| 373 | I | 90.3 | Very high | 84.7 | Confident | 27 Ų | 27 | 36.3 Ų | 36.3 | 14% | 0.138 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 123 | 172.5 | -60 | 174.1 | 0 | 0 | 0 | 108.9 | K324 F377 P388 L424 | K324-I373 VanDerWaalsContact CE-O 3.32Å; K324-I373 WeakPolarHBondContact CE-O 3.49Å; I373-F377 HydrophobicContact CG2-CE1 4.34Å; I373-F377 HydrophobicContact CG2-CZ 4.03Å; I373-P388 HydrophobicContact CG2-CB 4.03Å; I373-L424 HydrophobicContact CD1-CB 4.26Å; I373-L424 HydrophobicContact CG1-CB 4.4Å; I373-L424 HydrophobicContact CG1-CD1 4.35Å |
| 374 | L | 91.3 | Very high | 85.5 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 165.3 | 175.8 | -67.8 | -177.6 | 0 | 0 | 0 | 112.2 | V311 Y317 R323 E372 I376 I389 R391 | V311-L374 HydrophobicContact CG2-CD1 3.78Å; Y317-L374 VanDerWaalsContact O-CD1 3.31Å; Y317-L374 WeakPolarHBondContact O-CD1 3.46Å; R323-L374 HydrophobicContact CG-CD2 4.02Å; E372-L374 PolarHBondContact O-N 2.95Å; L374-I376 HydrophobicContact CB-CG1 3.67Å; L374-I376 HydrophobicContact CD1-CD1 3.99Å; L374-I376 HydrophobicContact CD1-CG1 4.05Å; L374-I376 PolarHBondContact O-N 2.92Å; L374-I376 VanDerWaalsContact O-N 3.16Å; L374-I389 HydrophobicContact CB-CB 4.49Å; L374-I389 WeakPolarHBondContact CB-O 3.5Å; L374-I389 HydrophobicContact CD1-CB 4.35Å; L374-I389 HydrophobicContact CD1-CG2 3.82Å; L374-I389 PolarHBondContact N-O 3.29Å; L374-R391 HydrophobicContact CD1-CB 4.38Å; L374-R391 HydrophobicContact CD2-CB 3.63Å; L374-R391 HydrophobicContact CD2-CG 4.35Å; L374-R391 HydrophobicContact CG-CB 3.94Å |
| 375 | N | 90.9 | Very high | 86.6 | Confident | 22 Ų | 22 | 39.1 Ų | 39.1 | 12% | 0.118 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 15.9 | 174.4 | -164.2 | 33 | 0 | 0 | 0 | 113.4 | S262 S263 Y322 K324 | S262-N375 WeakPolarHBondContact CA-O 3.39Å; S262-N375 PolarHBondContact OG-O 2.75Å; S263-N375 PolarHBondContact N-O 2.96Å; S263-N375 PolarHBondContact OG-OD1 2.86Å; Y322-N375 WeakPolarHBondContact O-CB 3.32Å; Y322-N375 PolarHBondContact O-N 3.47Å; K324-N375 HydrophobicContact CG-CB 4.12Å |
| 376 | I | 91.5 | Very high | 87.7 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 141.4 | -175.4 | 53.4 | 163.4 | 0 | 0 | 0 | 109.2 | I260 Y261 I285 Y317 Y322 L374 I389 | I260-I376 HydrophobicContact CD1-CB 4.25Å; I260-I376 HydrophobicContact CD1-CD1 3.79Å; I260-I376 HydrophobicContact CG1-CB 4.36Å; Y261-I376 WeakPolarHBondContact O-CA 2.8Å; I285-I376 HydrophobicContact CD1-CB 4.1Å; I285-I376 HydrophobicContact CD1-CG2 3.4Å; I285-I376 VanDerWaalsContact CD1-CG2 3.4Å; I285-I376 HydrophobicContact CG1-CG2 4.37Å; Y317-I376 HydrophobicContact CD1-CD1 3.83Å; Y317-I376 HydrophobicContact CG-CD1 4.37Å; Y322-I376 HydrophobicContact CD1-CD1 3.74Å; Y322-I376 HydrophobicContact CD1-CG1 4.42Å; Y322-I376 HydrophobicContact CD1-CG2 3.98Å; Y322-I376 HydrophobicContact CE1-CD1 4.48Å; Y322-I376 HydrophobicContact CG-CD1 3.84Å; L374-I376 HydrophobicContact CB-CG1 3.67Å; L374-I376 HydrophobicContact CD1-CD1 3.99Å; L374-I376 HydrophobicContact CD1-CG1 4.05Å; L374-I376 PolarHBondContact O-N 2.92Å; L374-I376 VanDerWaalsContact O-N 3.16Å; I376-I389 HydrophobicContact CB-CD1 4.43Å; I376-I389 HydrophobicContact CD1-CD1 3.91Å; I376-I389 HydrophobicContact CG1-CD1 3.98Å |
| 377 | F | 93.4 | Very high | 88.9 | Confident | 39 Ų | 39 | 34.9 Ų | 34.9 | 17% | 0.171 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 156.2 | -175.2 | -68.5 | -99.3 | 0 | 0 | 0 | 109.1 | I260 Y261 I373 S386 P388 | I260-F377 WeakPolarHBondContact CA-O 3.4Å; I260-F377 WeakPolarHBondContact CG1-O 3.13Å; Y261-F377 HydrophobicContact CD1-CB 4.16Å; Y261-F377 WeakPolarHBondContact CD1-O 3.37Å; Y261-F377 HydrophobicContact CE1-CB 3.56Å; Y261-F377 HydrophobicContact CE2-CB 4.11Å; Y261-F377 PolarHBondContact N-O 3.29Å; Y261-F377 PolarHBondContact O-N 3.02Å; I373-F377 HydrophobicContact CG2-CE1 4.34Å; I373-F377 HydrophobicContact CG2-CZ 4.03Å; F377-S386 VanDerWaalsContact CD1-OG 3.31Å; F377-S386 WeakPolarHBondContact CD1-OG 3.13Å; F377-P388 HydrophobicContact CD1-CB 4.17Å; F377-P388 HydrophobicContact CE1-CB 3.87Å |
| 378 | I | 94.1 | Very high | 90 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 153.6 | 165.6 | 68.1 | 170.3 | 0 | 0 | 0 | 110.8 | F258 N259 L291 V309 I387 I389 | F258-I378 HydrophobicContact CB-CB 3.77Å; F258-I378 HydrophobicContact CB-CD1 3.87Å; F258-I378 HydrophobicContact CB-CG1 4.3Å; F258-I378 HydrophobicContact CB-CG2 4.07Å; F258-I378 HydrophobicContact CD1-CD1 3.64Å; F258-I378 HydrophobicContact CD1-CG1 4.45Å; F258-I378 HydrophobicContact CD2-CD1 4.02Å; F258-I378 HydrophobicContact CE1-CD1 4.1Å; F258-I378 HydrophobicContact CE2-CD1 4.47Å; F258-I378 HydrophobicContact CG-CB 4.44Å; F258-I378 HydrophobicContact CG-CD1 3.58Å; F258-I378 HydrophobicContact CG-CG1 4.45Å; F258-I378 HydrophobicContact CZ-CD1 4.48Å; N259-I378 CarbonylContact O-C 3.5Å; N259-I378 VanDerWaalsContact O-CA 3.29Å; N259-I378 WeakPolarHBondContact O-CA 3.46Å; L291-I378 HydrophobicContact CB-CG2 4.15Å; L291-I378 HydrophobicContact CD2-CG2 3.66Å; V309-I378 HydrophobicContact CG2-CD1 3.28Å; V309-I378 HydrophobicContact CG2-CG1 4.01Å; I378-I387 HydrophobicContact CD1-CB 4.21Å; I378-I387 HydrophobicContact CD1-CD1 4.22Å; I378-I387 HydrophobicContact CD1-CG2 4.24Å; I378-I387 HydrophobicContact CG1-CB 3.63Å; I378-I387 HydrophobicContact CG1-CD1 4.3Å; I378-I387 HydrophobicContact CG1-CG1 4.44Å; I378-I387 HydrophobicContact CG1-CG2 4.06Å; I378-I387 PolarHBondContact N-O 3.26Å; I378-I387 PolarHBondContact O-N 3.04Å; I378-I389 HydrophobicContact CG2-CD1 3.81Å; I378-I389 HydrophobicContact CG2-CG1 4.19Å |
| 379 | R | 94.1 | Very high | 91.1 | Very high | 116 Ų | 116 | 32.8 Ų | 32.8 | 44% | 0.438 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 126.5 | 173.1 | -165.4 | 170.9 | -67.8 | -156.7 | 0.9 | 110.5 | N259 Y261 G384 R385 | N259-R379 PolarHBondContact O-N 3.07Å; Y261-R379 HydrophobicContact CD1-CB 4.47Å; Y261-R379 HydrophobicContact CE1-CB 4.14Å; R379-G384 WeakPolarHBondContact CG-O 3.44Å; R379-R385 WeakPolarHBondContact CA-O 3.31Å |
| 380 | H | 95.5 | Very high | 92 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | trans | -62.9 | 124.8 | 173 | -170.5 | -103.5 | 0 | 0 | 0 | 109.7 | A301 V302 D304 F382 T383 G384 R385 I387 | A301-H380 PolarHBondContact O-NE2 3.48Å; V302-H380 PolarHBondContact O-CE1 2.87Å; D304-H380 IonicContact OD1-CD2 3.19Å; D304-H380 IonicContact OD1-CG 2.99Å; D304-H380 IonicContact OD1-ND1 2.64Å; D304-H380 IonicContact OD2-ND1 3.63Å; H380-F382 AromaticContact CE1-CD2 3.67Å; H380-F382 PolarHBondContact O-N 3.27Å; H380-T383 WeakPolarHBondContact CB-OG1 3.32Å; H380-T383 PolarHBondContact ND1-N 2.91Å; H380-T383 PolarHBondContact ND1-OG1 3.09Å; H380-G384 WeakPolarHBondContact O-CA 3.32Å; H380-G384 PolarHBondContact O-N 3.18Å; H380-R385 HydrophobicContact CB-CB 4.33Å; H380-R385 PolarHBondContact N-O 2.81Å; H380-I387 HydrophobicContact CB-CD1 3.93Å | ||
| 381 | P | 93.4 | Very high | 92.4 | Very high | 36 Ų | 36 | 25.7 Ų | 25.7 | 23% | 0.234 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -20.4 | -168.3 | 23.7 | -32.8 | 0 | 0 | 0 | 114.3 | M256 R488 | M256-P381 HydrophobicContact CE-CG 3.42Å; M256-P381 VanDerWaalsContact CE-CG 3.42Å; P381-R488 HydrophobicContact CB-CG 3.97Å; P381-R488 HydrophobicContact CG-CG 4.41Å |
| 382 | F | 94.9 | Very high | 92.2 | Very high | 59 Ų | 59 | 26 Ų | 26 | 26% | 0.259 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.1 | -26.6 | -174.2 | -50.9 | -62.8 | 0 | 0 | 0 | 113.9 | M256 V302 H380 I464 I482 L483 S486 | M256-F382 HydrophobicContact CE-CD2 4.42Å; M256-F382 HydrophobicContact CE-CE2 3.89Å; V302-F382 HydrophobicContact CB-CE2 4.33Å; V302-F382 HydrophobicContact CG1-CD2 3.97Å; V302-F382 HydrophobicContact CG1-CE2 3.97Å; V302-F382 HydrophobicContact CG2-CE2 3.97Å; H380-F382 AromaticContact CE1-CD2 3.67Å; H380-F382 PolarHBondContact O-N 3.27Å; F382-I464 HydrophobicContact CB-CD1 3.67Å; F382-I482 HydrophobicContact CD1-CG2 4.12Å; F382-I482 HydrophobicContact CE1-CG2 3.56Å; F382-I482 HydrophobicContact CE2-CG2 4.12Å; F382-I482 HydrophobicContact CZ-CG2 3.57Å; F382-L483 HydrophobicContact CE2-CD2 3.99Å; F382-L483 HydrophobicContact CZ-CD2 4.01Å; F382-S486 WeakPolarHBondContact CE1-OG 3.47Å |
| 383 | T | 93.8 | Very high | 91.5 | Very high | 48 Ų | 48 | 28.5 Ų | 28.5 | 29% | 0.294 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.6 | -12.3 | -179.4 | 60.7 | 0 | 0 | 0 | 0 | 112.4 | D304 H380 R385 P463 I464 | D304-T383 HydrophobicContact CB-CG2 3.74Å; D304-T383 VanDerWaalsContact OD2-CB 3.29Å; D304-T383 WeakPolarHBondContact OD2-CB 3.38Å; D304-T383 WeakPolarHBondContact OD2-CG2 3.37Å; D304-T383 PolarHBondContact OD2-OG1 3.07Å; H380-T383 WeakPolarHBondContact CB-OG1 3.32Å; H380-T383 PolarHBondContact ND1-N 2.91Å; H380-T383 PolarHBondContact ND1-OG1 3.09Å; T383-R385 PolarHBondContact O-N 2.81Å; T383-R385 PolarHBondContact OG1-N 3.44Å; T383-P463 HydrophobicContact CG2-CG 3.72Å; T383-I464 HydrophobicContact CG2-CD1 4.09Å |
| 384 | G | 92.4 | Very high | 90.2 | Very high | 39 Ų | 39 | 29.7 Ų | 29.7 | 40% | 0.402 | 16% | 0.157 | S | C | . | . | trans | 70.8 | 1.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | R379 H380 | R379-G384 WeakPolarHBondContact CG-O 3.44Å; H380-G384 WeakPolarHBondContact O-CA 3.32Å; H380-G384 PolarHBondContact O-N 3.18Å | ||
| 385 | R | 94.3 | Very high | 88.4 | Confident | 46 Ų | 46 | 33.5 Ų | 33.5 | 17% | 0.174 | 18% | 0.182 | C | C | . | . | trans | -63 | 137.5 | -177.4 | -171.6 | 174.9 | 63.1 | 91.2 | 8.8 | 111.3 | D304 I306 R379 H380 T383 | D304-R385 IonicContact OD1-CZ 3.65Å; D304-R385 IonicContact OD1-NE 3.15Å; D304-R385 PolarHBondContact OD1-NE 3.09Å; D304-R385 VanDerWaalsContact OD1-NE 3.13Å; D304-R385 IonicContact OD1-NH2 2.71Å; D304-R385 PolarHBondContact OD1-NH2 3.43Å; D304-R385 IonicContact OD2-NE 2.74Å; D304-R385 PolarHBondContact OD2-NE 2.97Å; I306-R385 PolarHBondContact O-NH1 3.31Å; I306-R385 PolarHBondContact O-NH2 2.94Å; R379-R385 WeakPolarHBondContact CA-O 3.31Å; H380-R385 HydrophobicContact CB-CB 4.33Å; H380-R385 PolarHBondContact N-O 2.81Å; T383-R385 PolarHBondContact O-N 2.81Å; T383-R385 PolarHBondContact OG1-N 3.44Å | ||
| 386 | S | 94.4 | Very high | 86.4 | Confident | 51 Ų | 51 | 34.8 Ų | 34.8 | 36% | 0.357 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 128.6 | 168.9 | -176.9 | 0 | 0 | 0 | 0 | 110.4 | Y261 F377 | Y261-S386 WeakPolarHBondContact OH-CB 3.39Å; Y261-S386 PolarHBondContact OH-OG 3.18Å; F377-S386 VanDerWaalsContact CD1-OG 3.31Å; F377-S386 WeakPolarHBondContact CD1-OG 3.13Å |
| 387 | I | 94.6 | Very high | 84.2 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 124.8 | 177.6 | -57.9 | 169.9 | 0 | 0 | 0 | 107.8 | I306 V309 I378 H380 | I306-I387 HydrophobicContact CB-CD1 4Å; I306-I387 HydrophobicContact CD1-CD1 4.19Å; I306-I387 HydrophobicContact CG2-CD1 3.98Å; I306-I387 HydrophobicContact CG2-CG2 3.88Å; V309-I387 HydrophobicContact CG2-CG2 4.43Å; I378-I387 HydrophobicContact CD1-CB 4.21Å; I378-I387 HydrophobicContact CD1-CD1 4.22Å; I378-I387 HydrophobicContact CD1-CG2 4.24Å; I378-I387 HydrophobicContact CG1-CB 3.63Å; I378-I387 HydrophobicContact CG1-CD1 4.3Å; I378-I387 HydrophobicContact CG1-CG1 4.44Å; I378-I387 HydrophobicContact CG1-CG2 4.06Å; I378-I387 PolarHBondContact N-O 3.26Å; I378-I387 PolarHBondContact O-N 3.04Å; H380-I387 HydrophobicContact CB-CD1 3.93Å |
| 388 | P | 94.1 | Very high | 81.9 | Confident | 10 Ų | 10 | 44.6 Ų | 44.6 | 7% | 0.065 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 148.5 | 179.4 | 27.2 | -31.4 | 0 | 0 | 0 | 112 | H308 V309 I373 F377 I426 | H308-P388 WeakPolarHBondContact CA-O 3.36Å; H308-P388 HydrophobicContact CB-CG 3.93Å; H308-P388 WeakPolarHBondContact CB-O 3.27Å; V309-P388 PolarHBondContact N-O 3.04Å; I373-P388 HydrophobicContact CG2-CB 4.03Å; F377-P388 HydrophobicContact CD1-CB 4.17Å; F377-P388 HydrophobicContact CE1-CB 3.87Å; P388-I426 HydrophobicContact CG-CG2 3.93Å |
| 389 | I | 93.5 | Very high | 79.6 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 125.9 | 169.8 | -52.5 | 176.8 | 0 | 0 | 0 | 107.8 | I260 L291 V309 V311 L374 I376 I378 | I260-I389 HydrophobicContact CD1-CD1 4.15Å; I260-I389 HydrophobicContact CG1-CD1 4.29Å; L291-I389 HydrophobicContact CD2-CD1 4.31Å; V309-I389 HydrophobicContact CB-CG1 4.24Å; V309-I389 HydrophobicContact CB-CG2 4.3Å; V309-I389 HydrophobicContact CG1-CG2 4.36Å; V309-I389 CarbonylContact O-C 3.56Å; V309-I389 WeakPolarHBondContact O-CA 3.18Å; V311-I389 HydrophobicContact CB-CG2 4.39Å; V311-I389 HydrophobicContact CG1-CG2 3.48Å; V311-I389 VanDerWaalsContact CG1-CG2 3.48Å; V311-I389 HydrophobicContact CG2-CG2 3.96Å; L374-I389 HydrophobicContact CB-CB 4.49Å; L374-I389 WeakPolarHBondContact CB-O 3.5Å; L374-I389 HydrophobicContact CD1-CB 4.35Å; L374-I389 HydrophobicContact CD1-CG2 3.82Å; L374-I389 PolarHBondContact N-O 3.29Å; I376-I389 HydrophobicContact CB-CD1 4.43Å; I376-I389 HydrophobicContact CD1-CD1 3.91Å; I376-I389 HydrophobicContact CG1-CD1 3.98Å; I378-I389 HydrophobicContact CG2-CD1 3.81Å; I378-I389 HydrophobicContact CG2-CG1 4.19Å |
| 390 | I | 91.1 | Very high | 77.6 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 124.6 | -175.3 | -53.6 | 179.4 | 0 | 0 | 0 | 109.9 | H308 V309 V311 P371 E372 L420 L424 I426 | H308-I390 HydrophobicContact CB-CD1 3.82Å; H308-I390 HydrophobicContact CB-CG1 4.15Å; H308-I390 WeakPolarHBondContact CD2-CD1 3.43Å; H308-I390 VanDerWaalsContact CG-CD1 3.4Å; V309-I390 PolarHBondContact O-N 3.11Å; V311-I390 WeakPolarHBondContact CG2-O 3.39Å; V311-I390 PolarHBondContact N-O 3.14Å; P371-I390 HydrophobicContact CB-CG2 4.04Å; E372-I390 WeakPolarHBondContact O-CA 3.47Å; I390-L420 HydrophobicContact CD1-CD2 3.74Å; I390-L420 HydrophobicContact CG2-CD2 4.12Å; I390-L424 HydrophobicContact CD1-CD1 3.96Å; I390-L424 HydrophobicContact CG1-CD1 4.46Å; I390-L424 HydrophobicContact CG2-CD1 3.94Å; I390-I426 HydrophobicContact CD1-CD1 3.34Å; I390-I426 HydrophobicContact CG1-CD1 4.47Å |
| 391 | R | 89 | Confident | 76 | Confident | 19 Ų | 19 | 55.3 Ų | 55.3 | 7% | 0.072 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 122.3 | 172.8 | 178.5 | 176.5 | -175.7 | -87.3 | -1.3 | 109.1 | V311 F318 P371 E372 L374 | V311-R391 HydrophobicContact CG2-CB 4.4Å; F318-R391 HydrophobicContact CD2-CG 3.63Å; F318-R391 HydrophobicContact CE2-CG 3.6Å; F318-R391 HydrophobicContact CG-CG 4.43Å; F318-R391 HydrophobicContact CZ-CG 4.38Å; F318-R391 PolarHBondContact O-NE 3.34Å; F318-R391 VanDerWaalsContact O-NE 3.11Å; P371-R391 VanDerWaalsContact CA-O 3.27Å; P371-R391 WeakPolarHBondContact CA-O 3.26Å; E372-R391 HydrophobicContact CG-CB 4.08Å; E372-R391 PolarHBondContact N-O 3.02Å; E372-R391 PolarHBondContact O-N 2.97Å; L374-R391 HydrophobicContact CD1-CB 4.38Å; L374-R391 HydrophobicContact CD2-CB 3.63Å; L374-R391 HydrophobicContact CD2-CG 4.35Å; L374-R391 HydrophobicContact CG-CB 3.94Å |
| 392 | E | 82.5 | Confident | 75.1 | Confident | 27 Ų | 27 | 54.5 Ų | 54.5 | 13% | 0.126 | 30% | 0.3 | C | S | . | . | trans | -127.1 | 122 | -178 | -144.9 | -177.5 | 157.3 | 0 | 0 | 112.4 | K310 V311 F318 P371 I394 | K310-E392 WeakPolarHBondContact CD-OE2 3.44Å; K310-E392 WeakPolarHBondContact CE-OE2 3.39Å; K310-E392 IonicContact NZ-OE1 3.57Å; K310-E392 IonicContact NZ-OE2 3.47Å; K310-E392 PolarHBondContact NZ-OE2 3.35Å; V311-E392 PolarHBondContact O-N 2.84Å; F318-E392 WeakPolarHBondContact CE2-O 3.28Å; P371-E392 HydrophobicContact CB-CG 3.94Å; P371-E392 HydrophobicContact CG-CG 3.66Å; E392-I394 HydrophobicContact CB-CD1 4.24Å; E392-I394 HydrophobicContact CB-CG1 4.29Å; E392-I394 VanDerWaalsContact CD-CG1 3.46Å; E392-I394 HydrophobicContact CG-CD1 3.85Å; E392-I394 HydrophobicContact CG-CG1 3.75Å; E392-I394 PolarHBondContact O-N 2.83Å; E392-I394 WeakPolarHBondContact OE1-CD1 3.41Å; E392-I394 VanDerWaalsContact OE1-CG1 3.26Å; E392-I394 WeakPolarHBondContact OE1-CG1 3.45Å; E392-I394 WeakPolarHBondContact OE2-CD1 3.39Å | ||
| 393 | N | 72.5 | Confident | 74.4 | Confident | 57 Ų | 57 | 52.4 Ų | 52.4 | 31% | 0.305 | 29% | 0.291 | S | S | . | . | trans | -81.6 | 63.7 | 173.8 | -76 | 10.9 | 0 | 0 | 0 | 110.5 | F318 I367 S368 | F318-N393 WeakPolarHBondContact CZ-OD1 3.38Å; I367-N393 PolarHBondContact O-ND2 3.4Å; I367-N393 VanDerWaalsContact O-ND2 3.09Å; S368-N393 PolarHBondContact O-ND2 3.26Å | ||
| 394 | I | 63.7 | Low | 73.8 | Confident | 52 Ų | 52 | 51.9 Ų | 51.9 | 27% | 0.267 | 29% | 0.288 | S | S | . | . | trans | -91 | 137.1 | 171.8 | -59.9 | 160.9 | 0 | 0 | 0 | 109.3 | E392 L396 | E392-I394 HydrophobicContact CB-CD1 4.24Å; E392-I394 HydrophobicContact CB-CG1 4.29Å; E392-I394 VanDerWaalsContact CD-CG1 3.46Å; E392-I394 HydrophobicContact CG-CD1 3.85Å; E392-I394 HydrophobicContact CG-CG1 3.75Å; E392-I394 PolarHBondContact O-N 2.83Å; E392-I394 WeakPolarHBondContact OE1-CD1 3.41Å; E392-I394 VanDerWaalsContact OE1-CG1 3.26Å; E392-I394 WeakPolarHBondContact OE1-CG1 3.45Å; E392-I394 WeakPolarHBondContact OE2-CD1 3.39Å; I394-L396 PolarHBondContact O-N 2.83Å | ||
| 395 | P | 53.1 | Low | 73.6 | Confident | 81 Ų | 81 | 50.6 Ų | 50.6 | 53% | 0.526 | 27% | 0.272 | S | S | . | . | trans | -65.4 | 88 | 157.9 | 27.6 | -30.9 | 0 | 0 | 0 | 107.9 | ||||
| 396 | L | 49 | Very low | 73.4 | Confident | 48 Ų | 48 | 52.3 Ų | 52.3 | 25% | 0.251 | 28% | 0.282 | S | S | . | . | trans | -56.4 | 133.7 | 177.1 | -82.3 | 161.3 | 0 | 0 | 0 | 108.3 | I394 K398 | I394-L396 PolarHBondContact O-N 2.83Å; L396-K398 PolarHBondContact O-N 3.4Å; L396-K398 VanDerWaalsContact O-N 3.15Å | ||
| 397 | P | 45.3 | Very low | 73.2 | Confident | 97 Ų | 97 | 50.4 Ų | 50.4 | 63% | 0.63 | 27% | 0.268 | S | S | * | . | trans | -62.3 | 126 | 174.7 | 25 | -29.8 | 0 | 0 | 0 | 108.5 | L399 | P397-L399 PolarHBondContact O-N 2.94Š| ||
| 398 | K | 45.4 | Very low | 73.1 | Confident | 150 Ų | 150 | 50.6 Ų | 50.6 | 65% | 0.652 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -17.1 | 97.6 | 164.5 | -60.1 | -179.3 | -157.3 | -163 | 0 | 112.7 | Y347 L396 | Y347-K398 HydrophobicContact CD1-CD 4.45Å; Y347-K398 HydrophobicContact CE1-CD 3.39Å; Y347-K398 HydrophobicContact CE1-CG 3.48Å; Y347-K398 VanDerWaalsContact CE1-CG 3.48Å; Y347-K398 HydrophobicContact CE2-CG 4.27Å; Y347-K398 WeakPolarHBondContact OH-CD 3.49Å; Y347-K398 WeakPolarHBondContact OH-CE 3.33Å; Y347-K398 WeakPolarHBondContact OH-CG 3.38Å; L396-K398 PolarHBondContact O-N 3.4Å; L396-K398 VanDerWaalsContact O-N 3.15Å |
| 399 | L | 45.6 | Very low | 72.9 | Confident | 130 Ų | 130 | 51.4 Ų | 51.4 | 68% | 0.681 | 27% | 0.272 | S | S | * | . | trans | -177.9 | 130 | 148.2 | -94.5 | 151.5 | 0 | 0 | 0 | 107.9 | P397 R401 | P397-L399 PolarHBondContact O-N 2.94Å; L399-R401 PolarHBondContact O-N 2.82Å; L399-R401 VanDerWaalsContact O-N 3.1Å | ||
| 400 | P | 52 | Low | 72.6 | Confident | 109 Ų | 109 | 51.7 Ų | 51.7 | 71% | 0.708 | 27% | 0.274 | S | S | * | . | trans | -61.2 | 116.1 | 172.6 | 23.8 | -30.6 | 0 | 0 | 0 | 109.3 | M496 | P400-M496 WeakPolarHBondContact O-CE 3.23Š| ||
| 401 | R | 61.6 | Low | 72.2 | Confident | 103 Ų | 103 | 54.2 Ų | 54.2 | 39% | 0.389 | 29% | 0.286 | S | S | . | . | trans | -91.9 | 134.4 | 172.9 | -60 | -174.5 | -161.6 | -177.2 | 4.1 | 109.1 | L399 Y403 E406 | L399-R401 PolarHBondContact O-N 2.82Å; L399-R401 VanDerWaalsContact O-N 3.1Å; R401-Y403 PolarHBondContact O-N 3Å; R401-E406 IonicContact NH1-OE2 3.73Å; R401-E406 PolarHBondContact NH1-OE2 3.18Å; R401-E406 VanDerWaalsContact NH1-OE2 3.12Å | ||
| 402 | A | 74 | Confident | 71.2 | Confident | 18 Ų | 18 | 56.1 Ų | 56.1 | 15% | 0.149 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -61.8 | -28.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | M496 T498 | A402-M496 VanDerWaalsContact CB-C 3.48Å; A402-T498 HydrophobicContact CB-CG2 3.47Å; A402-T498 VanDerWaalsContact CB-CG2 3.47Å |
| 403 | Y | 79.6 | Confident | 70.4 | Confident | 15 Ų | 15 | 57 Ų | 57 | 6% | 0.059 | 32% | 0.315 | C | S | . | . | trans | -118.5 | 102.7 | 176.4 | -53.4 | -87.5 | 0 | 0 | 0 | 109 | Q255 V292 F294 R401 N405 N495 R497 | Q255-Y403 HydrophobicContact CG-CE1 3.85Å; Q255-Y403 PolarHBondContact NE2-OH 3.48Å; V292-Y403 HydrophobicContact CG1-CE1 4.42Å; F294-Y403 HydrophobicContact CB-CD1 3.95Å; F294-Y403 HydrophobicContact CB-CD2 3.48Å; F294-Y403 VanDerWaalsContact CB-CD2 3.48Å; F294-Y403 HydrophobicContact CB-CE1 4.33Å; F294-Y403 HydrophobicContact CB-CE2 3.92Å; F294-Y403 HydrophobicContact CB-CG 3.51Å; F294-Y403 HydrophobicContact CD2-CD2 4.48Å; F294-Y403 HydrophobicContact CD2-CE2 4.23Å; F294-Y403 HydrophobicContact CG-CD2 4.1Å; F294-Y403 HydrophobicContact CG-CE2 4.31Å; R401-Y403 PolarHBondContact O-N 3Å; Y403-N405 PolarHBondContact O-N 3.13Å; Y403-N495 WeakPolarHBondContact CD2-O 3.38Å; Y403-R497 VanDerWaalsContact CE2-O 3.3Å; Y403-R497 WeakPolarHBondContact CE2-O 3.17Å; Y403-R497 PolarHBondContact OH-O 3.3Å | ||
| 404 | P | 81.7 | Confident | 70.1 | Confident | 38 Ų | 38 | 57.7 Ų | 57.7 | 25% | 0.247 | 32% | 0.316 | C | S | . | . | trans | -78.8 | -6.9 | -178.1 | 31.6 | -36 | 0 | 0 | 0 | 113.5 | D314 | D314-P404 HydrophobicContact CB-CB 3.96Å; D314-P404 WeakPolarHBondContact O-CB 3.35Å | ||
| 405 | N | 88.8 | Confident | 70.3 | Confident | 12 Ų | 12 | 55.9 Ų | 55.9 | 6% | 0.064 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 144.5 | 180 | -47.6 | -49.8 | 0 | 0 | 0 | 109.7 | L291 I293 V309 K310 V311 S315 Y403 | L291-N405 WeakPolarHBondContact CD1-ND2 3.45Å; I293-N405 HydrophobicContact CG1-CB 4.22Å; I293-N405 WeakPolarHBondContact CG2-O 3.5Å; V309-N405 HydrophobicContact CG1-CB 4.29Å; K310-N405 WeakPolarHBondContact O-CA 3.47Å; V311-N405 HydrophobicContact CG1-CB 4.39Å; V311-N405 WeakPolarHBondContact CG1-OD1 3.4Å; S315-N405 WeakPolarHBondContact CB-OD1 3.31Å; S315-N405 PolarHBondContact OG-OD1 2.64Å; Y403-N405 PolarHBondContact O-N 3.13Å |
| 406 | E | 89.5 | Confident | 70.8 | Confident | 82 Ų | 82 | 57.2 Ų | 57.2 | 38% | 0.383 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 136.4 | -174.9 | -172.8 | 169.1 | 173.7 | 0 | 0 | 111.4 | V309 K310 R401 | V309-E406 WeakPolarHBondContact CA-O 3.37Å; K310-E406 HydrophobicContact CB-CB 4.4Å; K310-E406 PolarHBondContact N-O 3.4Å; K310-E406 PolarHBondContact O-N 2.86Å; R401-E406 IonicContact NH1-OE2 3.73Å; R401-E406 PolarHBondContact NH1-OE2 3.18Å; R401-E406 VanDerWaalsContact NH1-OE2 3.12Å |
| 407 | L | 91.5 | Very high | 71.5 | Confident | 10 Ų | 10 | 56.7 Ų | 56.7 | 5% | 0.052 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 125.5 | 169.4 | -67.1 | -178.3 | 0 | 0 | 0 | 109 | F258 I293 A301 I306 V309 F409 | F258-L407 HydrophobicContact CE2-CD1 4.37Å; F258-L407 HydrophobicContact CE2-CD2 4.08Å; F258-L407 HydrophobicContact CZ-CD1 4.08Å; F258-L407 HydrophobicContact CZ-CD2 4.01Å; I293-L407 HydrophobicContact CB-CD2 4.44Å; I293-L407 HydrophobicContact CB-CG 4.3Å; I293-L407 HydrophobicContact CD1-CD2 3.58Å; I293-L407 HydrophobicContact CD1-CG 4.28Å; I293-L407 HydrophobicContact CG2-CD2 4.25Å; I293-L407 HydrophobicContact CG2-CG 3.76Å; A301-L407 HydrophobicContact CB-CD1 4.02Å; I306-L407 HydrophobicContact CD1-CD1 4Å; I306-L407 HydrophobicContact CD1-CD2 4.07Å; I306-L407 HydrophobicContact CG1-CD1 4.36Å; I306-L407 HydrophobicContact CG1-CD2 4.47Å; I306-L407 HydrophobicContact CG2-CD2 3.96Å; V309-L407 HydrophobicContact CG2-CD2 4.12Å; L407-F409 HydrophobicContact CB-CE1 4.42Å; L407-F409 HydrophobicContact CB-CE2 4.1Å; L407-F409 HydrophobicContact CB-CZ 3.87Å; L407-F409 HydrophobicContact CD1-CE1 4.4Å; L407-F409 HydrophobicContact CD1-CZ 3.99Å |
| 408 | V | 90.7 | Very high | 72.1 | Confident | 4 Ų | 4 | 54.4 Ų | 54.4 | 2% | 0.024 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 124.8 | 170.7 | -178.2 | 0 | 0 | 0 | 0 | 108.3 | I306 S307 H308 K310 T415 | I306-V408 CarbonylContact C-O 3.57Å; S307-V408 PolarHBondContact N-O 3.1Å; H308-V408 WeakPolarHBondContact NE2-CG2 3.26Å; H308-V408 PolarHBondContact O-N 3.4Å; K310-V408 HydrophobicContact CB-CG2 4.09Å; V408-T415 HydrophobicContact CG1-CG2 3.93Å |
| 409 | F | 90.7 | Very high | 73 | Confident | 27 Ų | 27 | 51 Ų | 51 | 12% | 0.118 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 143.5 | 180 | -59.9 | -77.3 | 0 | 0 | 0 | 110.9 | Y297 L300 A301 L305 I306 L407 | Y297-F409 HydrophobicContact CD2-CE2 4.3Å; L300-F409 HydrophobicContact CB-CD1 3.75Å; L300-F409 HydrophobicContact CB-CE1 3.73Å; L300-F409 HydrophobicContact CB-CG 4.33Å; L300-F409 HydrophobicContact CB-CZ 4.29Å; L300-F409 HydrophobicContact CD1-CD1 4.47Å; L300-F409 HydrophobicContact CD1-CD2 4.38Å; L300-F409 HydrophobicContact CD1-CG 4.23Å; A301-F409 HydrophobicContact CB-CE1 4Å; A301-F409 HydrophobicContact CB-CZ 4.22Å; L305-F409 HydrophobicContact CB-CD1 4.32Å; L305-F409 CarbonylContact O-C 3.57Å; L305-F409 WeakPolarHBondContact O-CA 3.46Å; I306-F409 HydrophobicContact CG1-CD1 4.19Å; I306-F409 HydrophobicContact CG1-CE1 3.85Å; L407-F409 HydrophobicContact CB-CE1 4.42Å; L407-F409 HydrophobicContact CB-CE2 4.1Å; L407-F409 HydrophobicContact CB-CZ 3.87Å; L407-F409 HydrophobicContact CD1-CE1 4.4Å; L407-F409 HydrophobicContact CD1-CZ 3.99Å |
| 410 | S | 88 | Confident | 74.3 | Confident | 6 Ų | 6 | 45.4 Ų | 45.4 | 4% | 0.042 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 120.3 | 167 | -172.6 | 0 | 0 | 0 | 0 | 109.6 | L305 Q414 P429 | L305-S410 PolarHBondContact O-N 3.18Å; S410-Q414 CarbonylContact C-O 3.52Å; S410-Q414 WeakPolarHBondContact CA-O 3.37Å; S410-P429 VanDerWaalsContact CB-CG 3.46Å |
| 411 | I | 81.8 | Confident | 75.3 | Confident | 53 Ų | 53 | 41 Ų | 41 | 27% | 0.272 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 110.7 | 174.9 | -61.9 | 174.6 | 0 | 0 | 0 | 106.1 | G413 Q414 L433 L450 L455 | I411-G413 VanDerWaalsContact C-N 3.32Å; I411-G413 PolarHBondContact O-N 2.91Å; I411-Q414 PolarHBondContact N-O 2.87Å; I411-Q414 PolarHBondContact O-N 3.33Å; I411-Q414 VanDerWaalsContact O-O 3.12Å; I411-L433 HydrophobicContact CG1-CD1 4.25Å; I411-L433 HydrophobicContact CG2-CD1 4.14Å; I411-L450 HydrophobicContact CG2-CD1 3.95Å; I411-L455 HydrophobicContact CD1-CD1 4.42Å |
| 412 | N | 68.1 | Low | 75.9 | Confident | 60 Ų | 60 | 43.7 Ų | 43.7 | 32% | 0.321 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | 39.5 | -179.1 | -54.8 | -18.9 | 0 | 0 | 0 | 115 | Q414 L433 L443 | N412-Q414 PolarHBondContact O-N 2.69Å; N412-L433 PolarHBondContact OD1-O 3.5Å; N412-L443 WeakPolarHBondContact ND2-CB 3.1Å; N412-L443 PolarHBondContact ND2-O 2.87Å; N412-L443 VanDerWaalsContact ND2-O 3.11Å |
| 413 | G | 66.4 | Low | 76.1 | Confident | 46 Ų | 46 | 47.2 Ų | 47.2 | 47% | 0.474 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.3 | -3.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | I411 | I411-G413 VanDerWaalsContact C-N 3.32Å; I411-G413 PolarHBondContact O-N 2.91Å |
| 414 | Q | 66.3 | Low | 76.3 | Confident | 71 Ų | 71 | 47.6 Ų | 47.6 | 33% | 0.332 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 143.9 | 173.4 | -60.7 | -162.3 | -49.6 | 0 | 0 | 111.3 | S410 I411 N412 S446 | S410-Q414 CarbonylContact C-O 3.52Å; S410-Q414 WeakPolarHBondContact CA-O 3.37Å; I411-Q414 PolarHBondContact N-O 2.87Å; I411-Q414 PolarHBondContact O-N 3.33Å; I411-Q414 VanDerWaalsContact O-O 3.12Å; N412-Q414 PolarHBondContact O-N 2.69Å; Q414-S446 VanDerWaalsContact CD-O 3.28Å; Q414-S446 VanDerWaalsContact NE2-CB 3.29Å; Q414-S446 PolarHBondContact NE2-O 3.35Å; Q414-S446 PolarHBondContact OE1-O 3.1Å |
| 415 | T | 66.3 | Low | 76.4 | Confident | 13 Ų | 13 | 52.7 Ų | 52.7 | 8% | 0.08 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 160.5 | 168.6 | 44.7 | 0 | 0 | 0 | 0 | 109.4 | S307 V408 D417 G418 S421 | S307-T415 VanDerWaalsContact CB-CG2 3.45Å; V408-T415 HydrophobicContact CG1-CG2 3.93Å; T415-D417 WeakPolarHBondContact CB-OD1 3.35Å; T415-D417 PolarHBondContact O-N 3.5Å; T415-D417 PolarHBondContact OG1-OD1 3Å; T415-G418 WeakPolarHBondContact O-CA 3.32Å; T415-G418 PolarHBondContact O-N 3.33Å; T415-S421 WeakPolarHBondContact CG2-OG 3.13Å; T415-S421 PolarHBondContact OG1-OG 3.36Å |
| 416 | S | 64.4 | Low | 76.2 | Confident | 110 Ų | 110 | 52.8 Ų | 52.8 | 77% | 0.769 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -19.2 | 179.5 | 52.8 | 0 | 0 | 0 | 0 | 114 | ||
| 417 | D | 64.8 | Low | 75.9 | Confident | 37 Ų | 37 | 53.4 Ų | 53.4 | 20% | 0.198 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | -3.1 | 176.1 | 54.5 | 8.1 | 0 | 0 | 0 | 114.1 | H308 T415 S419 L420 | H308-D417 IonicContact CE1-OD2 3.83Å; H308-D417 PolarHBondContact CE1-OD2 2.83Å; H308-D417 IonicContact NE2-OD2 2.77Å; H308-D417 PolarHBondContact NE2-OD2 2.95Å; T415-D417 WeakPolarHBondContact CB-OD1 3.35Å; T415-D417 PolarHBondContact O-N 3.5Å; T415-D417 PolarHBondContact OG1-OD1 3Å; D417-S419 PolarHBondContact O-N 3.14Å; D417-S419 PolarHBondContact O-OG 3.17Å; D417-L420 HydrophobicContact CB-CB 4.1Å; D417-L420 VanDerWaalsContact CG-CB 3.45Å; D417-L420 VanDerWaalsContact OD2-CB 3.26Å; D417-L420 WeakPolarHBondContact OD2-CB 3.37Å; D417-L420 VanDerWaalsContact OD2-CD2 3.29Å; D417-L420 WeakPolarHBondContact OD2-CD2 3.29Å |
| 418 | G | 56.6 | Low | 75.6 | Confident | 48 Ų | 48 | 58.2 Ų | 58.2 | 50% | 0.495 | 35% | 0.345 | S | S | . | . | S | Bend | trans | 62.9 | -37.1 | 162.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | T415 | T415-G418 WeakPolarHBondContact O-CA 3.32Å; T415-G418 PolarHBondContact O-N 3.33Å |
| 419 | S | 64 | Low | 75.6 | Confident | 80 Ų | 80 | 58.2 Ų | 58.2 | 56% | 0.559 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -118.1 | -20.3 | -175.7 | 61.6 | 0 | 0 | 0 | 0 | 112.9 | D417 L423 | D417-S419 PolarHBondContact O-N 3.14Å; D417-S419 PolarHBondContact O-OG 3.17Å; S419-L423 VanDerWaalsContact O-CB 3.25Å; S419-L423 WeakPolarHBondContact O-CB 3.4Å; S419-L423 PolarHBondContact O-N 2.81Å |
| 420 | L | 73.9 | Confident | 75.7 | Confident | 11 Ų | 11 | 59.9 Ų | 59.9 | 6% | 0.058 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -69.7 | -44 | -172.4 | -156.9 | 84.4 | 0 | 0 | 0 | 113 | P371 I390 D417 E422 L423 L424 | P371-L420 HydrophobicContact CB-CD1 3.58Å; P371-L420 HydrophobicContact CB-CD2 4.48Å; P371-L420 HydrophobicContact CB-CG 4.45Å; P371-L420 HydrophobicContact CG-CD1 3.44Å; P371-L420 VanDerWaalsContact CG-CD1 3.44Å; I390-L420 HydrophobicContact CD1-CD2 3.74Å; I390-L420 HydrophobicContact CG2-CD2 4.12Å; D417-L420 HydrophobicContact CB-CB 4.1Å; D417-L420 VanDerWaalsContact CG-CB 3.45Å; D417-L420 VanDerWaalsContact OD2-CB 3.26Å; D417-L420 WeakPolarHBondContact OD2-CB 3.37Å; D417-L420 VanDerWaalsContact OD2-CD2 3.29Å; D417-L420 WeakPolarHBondContact OD2-CD2 3.29Å; L420-E422 VanDerWaalsContact C-N 3.27Å; L420-E422 PolarHBondContact O-N 2.86Å; L420-L423 PolarHBondContact O-N 3.45Å; L420-L424 HydrophobicContact CD2-CD1 4.41Å; L420-L424 HydrophobicContact CG-CD1 4.16Å; L420-L424 PolarHBondContact O-N 3.29Å |
| 421 | S | 72.9 | Confident | 75.8 | Confident | 17 Ų | 17 | 59.8 Ų | 59.8 | 12% | 0.119 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -64.5 | -35 | -179.1 | -61.5 | 0 | 0 | 0 | 0 | 111.9 | S307 T415 D425 I426 | S307-S421 PolarHBondContact OG-OG 3.44Å; T415-S421 WeakPolarHBondContact CG2-OG 3.13Å; T415-S421 PolarHBondContact OG1-OG 3.36Å; S421-D425 PolarHBondContact O-N 2.78Å; S421-I426 PolarHBondContact O-N 3.46Å |
| 422 | E | 74 | Confident | 76.2 | Confident | 160 Ų | 160 | 63.2 Ų | 63.2 | 75% | 0.748 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -75 | -42.3 | 175.3 | -167.7 | 175.8 | -169.8 | 0 | 0 | 111.2 | L420 L424 D425 | L420-E422 VanDerWaalsContact C-N 3.27Å; L420-E422 PolarHBondContact O-N 2.86Å; E422-L424 VanDerWaalsContact C-N 3.26Å; E422-L424 PolarHBondContact O-N 3.36Å; E422-D425 PolarHBondContact O-N 3.25Å |
| 423 | L | 77.7 | Confident | 77.2 | Confident | 91 Ų | 91 | 60.8 Ų | 60.8 | 48% | 0.476 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -60.6 | -33.4 | 178.2 | -179.6 | 65.3 | 0 | 0 | 0 | 113.4 | L331 S419 L420 | L331-L423 HydrophobicContact CD1-CD1 4.32Å; S419-L423 VanDerWaalsContact O-CB 3.25Å; S419-L423 WeakPolarHBondContact O-CB 3.4Å; S419-L423 PolarHBondContact O-N 2.81Å; L420-L423 PolarHBondContact O-N 3.45Å |
| 424 | L | 83.3 | Confident | 78.1 | Confident | 23 Ų | 23 | 62.7 Ų | 62.7 | 12% | 0.12 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107 | 11.8 | -175.9 | -63.7 | 176.8 | 0 | 0 | 0 | 113.3 | P371 I373 I390 L420 E422 I426 | P371-L424 HydrophobicContact CB-CD1 4.34Å; I373-L424 HydrophobicContact CD1-CB 4.26Å; I373-L424 HydrophobicContact CG1-CB 4.4Å; I373-L424 HydrophobicContact CG1-CD1 4.35Å; I390-L424 HydrophobicContact CD1-CD1 3.96Å; I390-L424 HydrophobicContact CG1-CD1 4.46Å; I390-L424 HydrophobicContact CG2-CD1 3.94Å; L420-L424 HydrophobicContact CD2-CD1 4.41Å; L420-L424 HydrophobicContact CG-CD1 4.16Å; L420-L424 PolarHBondContact O-N 3.29Å; E422-L424 VanDerWaalsContact C-N 3.26Å; E422-L424 PolarHBondContact O-N 3.36Å; L424-I426 VanDerWaalsContact C-N 3.32Å; L424-I426 HydrophobicContact CB-CD1 4.38Å; L424-I426 HydrophobicContact CB-CG1 4.03Å; L424-I426 PolarHBondContact O-N 2.84Å |
| 425 | D | 83.9 | Confident | 78.3 | Confident | 145 Ų | 145 | 61.4 Ų | 61.4 | 78% | 0.775 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.8 | 46.4 | 179.4 | -67 | -45.2 | 0 | 0 | 0 | 113.6 | S421 E422 P427 | S421-D425 PolarHBondContact O-N 2.78Å; E422-D425 PolarHBondContact O-N 3.25Å; D425-P427 WeakPolarHBondContact O-CD 3.24Å |
| 426 | I | 84.8 | Confident | 78 | Confident | 15 Ų | 15 | 63.5 Ų | 63.5 | 8% | 0.077 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -77.2 | 124 | -177.2 | -55 | -178.8 | 0 | 0 | 0 | 110.2 | H308 P388 I390 S421 L424 L428 | H308-I426 HydrophobicContact CB-CD1 4.1Å; P388-I426 HydrophobicContact CG-CG2 3.93Å; I390-I426 HydrophobicContact CD1-CD1 3.34Å; I390-I426 HydrophobicContact CG1-CD1 4.47Å; S421-I426 PolarHBondContact O-N 3.46Å; L424-I426 VanDerWaalsContact C-N 3.32Å; L424-I426 HydrophobicContact CB-CD1 4.38Å; L424-I426 HydrophobicContact CB-CG1 4.03Å; L424-I426 PolarHBondContact O-N 2.84Å; I426-L428 PolarHBondContact O-N 3.11Å |
| 427 | P | 83.2 | Confident | 77.3 | Confident | 95 Ų | 95 | 67.2 Ų | 67.2 | 62% | 0.617 | 38% | 0.376 | S | S | * | . | P | Polyproline II helix | trans | -61.8 | 136.2 | 177.9 | -22 | 32.5 | 0 | 0 | 0 | 112.4 | D425 | D425-P427 WeakPolarHBondContact O-CD 3.24Š|
| 428 | L | 85.3 | Confident | 76.4 | Confident | 110 Ų | 110 | 75 Ų | 75 | 58% | 0.576 | 41% | 0.409 | S | S | * | . | P | Polyproline II helix | trans | -62.9 | 139 | 175.4 | -70.9 | 176.7 | 0 | 0 | 0 | 111.3 | I426 | I426-L428 PolarHBondContact O-N 3.11Š|
| 429 | P | 91.9 | Very high | 75.8 | Confident | 5 Ų | 5 | 79 Ų | 79 | 3% | 0.032 | 42% | 0.418 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 156.2 | 174.5 | 21.8 | -27.7 | 0 | 0 | 0 | 112.3 | D304 S410 G431 | D304-P429 WeakPolarHBondContact O-CB 3.38Å; S410-P429 VanDerWaalsContact CB-CG 3.46Å; P429-G431 VanDerWaalsContact C-N 3.32Å |
| 430 | P | 91.2 | Very high | 74.8 | Confident | 62 Ų | 62 | 81.3 Ų | 81.3 | 40% | 0.403 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -71.8 | -27.3 | 176.3 | 29.5 | -34.6 | 0 | 0 | 0 | 112.6 | D304 P463 | D304-P430 HydrophobicContact CB-CG 4.1Å; D304-P430 WeakPolarHBondContact OD2-CD 3.34Å; D304-P430 WeakPolarHBondContact OD2-CG 3.29Å; P430-P463 HydrophobicContact CB-CG 4.33Å; P430-P463 HydrophobicContact CG-CG 4.25Å |
| 431 | G | 90.8 | Very high | 73.5 | Confident | 3 Ų | 3 | 84.1 Ų | 84.1 | 3% | 0.031 | 45% | 0.449 | C | S | . | . | trans | -72.3 | 142.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | D304 P429 S461 | D304-G431 PolarHBondContact O-N 3.39Å; P429-G431 VanDerWaalsContact C-N 3.32Å; G431-S461 CarbonylContact C-O 3.47Å; G431-S461 VanDerWaalsContact CA-O 3.28Å; G431-S461 WeakPolarHBondContact CA-O 3.5Å | ||
| 432 | K | 90.7 | Very high | 72.3 | Confident | 125 Ų | 125 | 88.7 Ų | 88.7 | 54% | 0.543 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 158.5 | 176.2 | -59.9 | -176.3 | -178 | -177.5 | 0 | 111.1 | S461 | K432-S461 PolarHBondContact N-O 3.15Å; K432-S461 PolarHBondContact O-N 2.79Å |
| 433 | L | 89.2 | Confident | 71.1 | Confident | 9 Ų | 9 | 82.1 Ų | 82.1 | 5% | 0.047 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 144.5 | 169.6 | -67.5 | 176.7 | 0 | 0 | 0 | 110.2 | L300 L305 I411 N412 L455 C458 I459 L460 V472 | L300-L433 HydrophobicContact CD2-CD1 4.46Å; L300-L433 HydrophobicContact CD2-CD2 4.07Å; L305-L433 HydrophobicContact CD2-CD1 4.48Å; L305-L433 HydrophobicContact CD2-CD2 4.13Å; L305-L433 HydrophobicContact CD2-CG 3.79Å; I411-L433 HydrophobicContact CG1-CD1 4.25Å; I411-L433 HydrophobicContact CG2-CD1 4.14Å; N412-L433 PolarHBondContact OD1-O 3.5Å; L433-L455 HydrophobicContact CD1-CD1 3.68Å; L433-C458 HydrophobicContact CB-CB 4.2Å; L433-C458 HydrophobicContact CD1-CB 4.2Å; L433-C458 HydrophobicContact CD2-CB 3.88Å; L433-C458 HydrophobicContact CG-CB 4.32Å; L433-I459 CarbonylContact C-O 3.46Å; L433-I459 WeakPolarHBondContact CA-O 3.32Å; L433-L460 HydrophobicContact CD2-CD2 3.69Å; L433-L460 HydrophobicContact CD2-CG 4.41Å; L433-V472 HydrophobicContact CD2-CG2 3.49Å; L433-V472 VanDerWaalsContact CD2-CG2 3.49Å |
| 434 | I | 84.5 | Confident | 69.5 | Low | 86 Ų | 86 | 85.1 Ų | 85.1 | 44% | 0.441 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 134.3 | 173.6 | -55.2 | 172.5 | 0 | 0 | 0 | 107 | I459 | I434-I459 HydrophobicContact CB-CB 4.29Å; I434-I459 PolarHBondContact N-O 3.34Å; I434-I459 PolarHBondContact O-N 3.08Å |
| 435 | S | 71.7 | Confident | 67.7 | Low | 45 Ų | 45 | 90.2 Ų | 90.2 | 32% | 0.315 | 48% | 0.482 | S | S | . | . | trans | -62.7 | 138.9 | 173.8 | 36.6 | 0 | 0 | 0 | 0 | 110.1 | E437 L443 | S435-E437 PolarHBondContact O-N 3.49Å; S435-L443 VanDerWaalsContact CB-CD1 3.42Å | ||
| 436 | S | 58.4 | Low | 65.8 | Low | 57 Ų | 57 | 86.7 Ų | 86.7 | 40% | 0.399 | 47% | 0.469 | S | S | . | . | trans | -70 | 116.1 | 167.1 | 67.9 | 0 | 0 | 0 | 0 | 108.4 | K438 | S436-K438 PolarHBondContact O-N 3.21Š| ||
| 437 | E | 49.9 | Very low | 63.8 | Low | 187 Ų | 187 | 93 Ų | 93 | 87% | 0.874 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | 103.1 | 178.5 | -68.2 | -179.3 | 156.6 | 0 | 0 | 111.5 | S435 | S435-E437 PolarHBondContact O-N 3.49Š|
| 438 | K | 46.5 | Very low | 62.3 | Low | 201 Ų | 201 | 91.3 Ų | 91.3 | 87% | 0.874 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 177.8 | -6.9 | 140.2 | -101.9 | 175.1 | -176.6 | -179.7 | 0 | 116.4 | S436 | S436-K438 PolarHBondContact O-N 3.21Š|
| 439 | D | 42.9 | Very low | 61 | Low | 131 Ų | 131 | 92.8 Ų | 92.8 | 70% | 0.701 | 50% | 0.502 | S | S | * | . | S | Bend | trans | -116.3 | 134 | 168.3 | -75.3 | -45 | 0 | 0 | 0 | 110.5 | L441 | D439-L441 PolarHBondContact O-N 2.93Š|
| 440 | S | 43.4 | Very low | 59.8 | Low | 130 Ų | 130 | 94 Ų | 94 | 91% | 0.909 | 51% | 0.508 | S | S | * | . | trans | -64.1 | 64.8 | -175.3 | 47 | 0 | 0 | 0 | 0 | 114 | ||||
| 441 | L | 47.1 | Very low | 59.1 | Low | 69 Ų | 69 | 95 Ų | 95 | 36% | 0.361 | 51% | 0.509 | S | S | . | . | trans | -98.4 | 93.5 | 160.3 | -82.3 | 154 | 0 | 0 | 0 | 107.1 | D439 L443 I448 | D439-L441 PolarHBondContact O-N 2.93Å; L441-L443 PolarHBondContact O-N 2.72Å; L441-I448 HydrophobicContact CD2-CD1 4.28Å; L441-I448 HydrophobicContact CD2-CG2 4.23Å | ||
| 442 | N | 47.5 | Very low | 58.5 | Low | 114 Ų | 114 | 99.8 Ų | 99.8 | 61% | 0.61 | 53% | 0.531 | S | S | * | . | trans | -65.4 | 85 | 167.7 | -110.6 | -12.5 | 0 | 0 | 0 | 108 | D444 Q445 I448 | N442-D444 PolarHBondContact O-N 2.64Å; N442-Q445 PolarHBondContact O-N 3.26Å; N442-I448 VanDerWaalsContact O-CD1 3.23Å; N442-I448 WeakPolarHBondContact O-CD1 3.27Å | ||
| 443 | L | 50 | Low | 58.2 | Low | 22 Ų | 22 | 100 Ų | 100 | 12% | 0.115 | 53% | 0.534 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -10.2 | 179.9 | -86 | -177.1 | 0 | 0 | 0 | 113.7 | N412 S435 L441 Q445 L450 | N412-L443 WeakPolarHBondContact ND2-CB 3.1Å; N412-L443 PolarHBondContact ND2-O 2.87Å; N412-L443 VanDerWaalsContact ND2-O 3.11Å; S435-L443 VanDerWaalsContact CB-CD1 3.42Å; L441-L443 PolarHBondContact O-N 2.72Å; L443-Q445 VanDerWaalsContact C-N 3.32Å; L443-L450 HydrophobicContact CD2-CD1 4.23Å; L443-L450 HydrophobicContact CD2-CD2 3.93Å; L443-L450 HydrophobicContact CD2-CG 4.48Å |
| 444 | D | 44.1 | Very low | 57.9 | Low | 153 Ų | 153 | 101.5 Ų | 101.5 | 82% | 0.818 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -7.7 | 173 | -75.7 | -21.4 | 0 | 0 | 0 | 113.7 | N442 S446 | N442-D444 PolarHBondContact O-N 2.64Å; D444-S446 PolarHBondContact O-N 3.19Å |
| 445 | Q | 44.2 | Very low | 58 | Low | 130 Ų | 130 | 97.9 Ų | 97.9 | 61% | 0.607 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -82.1 | 114.7 | 170.6 | -71.9 | -172.8 | -6.7 | 0 | 0 | 110.1 | N442 L443 N447 I448 | N442-Q445 PolarHBondContact O-N 3.26Å; L443-Q445 VanDerWaalsContact C-N 3.32Å; Q445-N447 PolarHBondContact O-N 3.28Å; Q445-I448 HydrophobicContact CB-CD1 4.47Å |
| 446 | S | 43.6 | Very low | 58.8 | Low | 72 Ų | 72 | 99.6 Ų | 99.6 | 50% | 0.503 | 53% | 0.525 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | 28.3 | -168.5 | 65.8 | 0 | 0 | 0 | 0 | 116.8 | Q414 D444 | Q414-S446 VanDerWaalsContact CD-O 3.28Å; Q414-S446 VanDerWaalsContact NE2-CB 3.29Å; Q414-S446 PolarHBondContact NE2-O 3.35Å; Q414-S446 PolarHBondContact OE1-O 3.1Å; D444-S446 PolarHBondContact O-N 3.19Å |
| 447 | N | 44.4 | Very low | 60.2 | Low | 146 Ų | 146 | 103.2 Ų | 103.2 | 78% | 0.781 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -150 | 13.4 | -177.3 | -84.2 | -33.8 | 0 | 0 | 0 | 114.8 | Q445 V449 | Q445-N447 PolarHBondContact O-N 3.28Å; N447-V449 PolarHBondContact O-N 3.11Å |
| 448 | I | 50.3 | Low | 62.1 | Low | 61 Ų | 61 | 94.7 Ų | 94.7 | 31% | 0.313 | 49% | 0.491 | S | S | . | . | trans | -79.9 | 105.1 | -178.2 | -59.5 | 174.3 | 0 | 0 | 0 | 110.1 | L441 N442 Q445 L450 | L441-I448 HydrophobicContact CD2-CD1 4.28Å; L441-I448 HydrophobicContact CD2-CG2 4.23Å; N442-I448 VanDerWaalsContact O-CD1 3.23Å; N442-I448 WeakPolarHBondContact O-CD1 3.27Å; Q445-I448 HydrophobicContact CB-CD1 4.47Å; I448-L450 HydrophobicContact CG2-CD2 3.92Å; I448-L450 HydrophobicContact CG2-CG 4.37Å; I448-L450 PolarHBondContact O-N 3.14Å; I448-L450 VanDerWaalsContact O-N 3.13Å | ||
| 449 | V | 58.2 | Low | 64.3 | Low | 141 Ų | 141 | 87.4 Ų | 87.4 | 86% | 0.855 | 46% | 0.461 | S | S | * | . | trans | -71.6 | 100.8 | 164.8 | -179.6 | 0 | 0 | 0 | 0 | 107.8 | N447 N451 | N447-V449 PolarHBondContact O-N 3.11Å; V449-N451 PolarHBondContact O-N 3.27Å | ||
| 450 | L | 66.1 | Low | 66.7 | Low | 31 Ų | 31 | 81.2 Ų | 81.2 | 16% | 0.162 | 43% | 0.428 | C | S | . | . | trans | -68 | 126.9 | 175.4 | -67.3 | 172 | 0 | 0 | 0 | 110.1 | I411 L443 I448 D454 L455 | I411-L450 HydrophobicContact CG2-CD1 3.95Å; L443-L450 HydrophobicContact CD2-CD1 4.23Å; L443-L450 HydrophobicContact CD2-CD2 3.93Å; L443-L450 HydrophobicContact CD2-CG 4.48Å; I448-L450 HydrophobicContact CG2-CD2 3.92Å; I448-L450 HydrophobicContact CG2-CG 4.37Å; I448-L450 PolarHBondContact O-N 3.14Å; I448-L450 VanDerWaalsContact O-N 3.13Å; L450-D454 HydrophobicContact CD2-CB 4.18Å; L450-L455 HydrophobicContact CD1-CD1 4.46Å | ||
| 451 | N | 77.1 | Confident | 69.1 | Low | 82 Ų | 82 | 76.8 Ų | 76.8 | 44% | 0.439 | 40% | 0.397 | S | S | . | . | trans | -71.2 | 168.2 | 168 | 69.1 | 48.6 | 0 | 0 | 0 | 110.2 | V449 E453 D454 L455 | V449-N451 PolarHBondContact O-N 3.27Å; N451-E453 VanDerWaalsContact C-N 3.28Å; N451-E453 PolarHBondContact O-N 2.87Å; N451-E453 PolarHBondContact OD1-N 3.3Å; N451-D454 VanDerWaalsContact CG-OD2 3.23Å; N451-D454 PolarHBondContact ND2-OD2 3.23Å; N451-D454 PolarHBondContact O-N 3.19Å; N451-D454 WeakPolarHBondContact OD1-CB 3.19Å; N451-D454 VanDerWaalsContact OD1-CG 3.31Å; N451-D454 PolarHBondContact OD1-N 3.42Å; N451-D454 PolarHBondContact OD1-OD2 2.72Å; N451-L455 WeakPolarHBondContact O-CB 3.31Å; N451-L455 PolarHBondContact O-N 3.26Å | ||
| 452 | E | 79.1 | Confident | 71.3 | Confident | 103 Ų | 103 | 74 Ų | 74 | 48% | 0.481 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -66.1 | -28.1 | -173.8 | -151.3 | -168.7 | 139.3 | 0 | 0 | 113.4 | Y297 K456 | Y297-E452 HydrophobicContact CE1-CG 4.2Å; E452-K456 WeakPolarHBondContact O-CD 3.19Å; E452-K456 VanDerWaalsContact O-CG 3.28Å; E452-K456 WeakPolarHBondContact O-CG 3.31Å; E452-K456 PolarHBondContact O-N 2.99Å; E452-K456 WeakPolarHBondContact OE1-CE 3.34Å; E452-K456 IonicContact OE1-NZ 3.18Å; E452-K456 PolarHBondContact OE1-NZ 3.43Å |
| 453 | E | 83.6 | Confident | 73.5 | Confident | 129 Ų | 129 | 72.4 Ų | 72.4 | 60% | 0.603 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -75.1 | -44.2 | 177.9 | -68.6 | -169.3 | 174.1 | 0 | 0 | 111.8 | N451 L455 K456 R457 | N451-E453 VanDerWaalsContact C-N 3.28Å; N451-E453 PolarHBondContact O-N 2.87Å; N451-E453 PolarHBondContact OD1-N 3.3Å; E453-L455 VanDerWaalsContact C-N 3.35Å; E453-K456 WeakPolarHBondContact O-CB 3.35Å; E453-K456 PolarHBondContact O-N 2.87Å; E453-R457 PolarHBondContact O-N 2.98Å |
| 454 | D | 83 | Confident | 75.6 | Confident | 41 Ų | 41 | 72.1 Ų | 72.1 | 22% | 0.219 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -65.9 | -40.4 | 177.6 | -66.6 | -28.8 | 0 | 0 | 0 | 110.9 | L450 N451 K456 R457 C458 | L450-D454 HydrophobicContact CD2-CB 4.18Å; N451-D454 VanDerWaalsContact CG-OD2 3.23Å; N451-D454 PolarHBondContact ND2-OD2 3.23Å; N451-D454 PolarHBondContact O-N 3.19Å; N451-D454 WeakPolarHBondContact OD1-CB 3.19Å; N451-D454 VanDerWaalsContact OD1-CG 3.31Å; N451-D454 PolarHBondContact OD1-N 3.42Å; N451-D454 PolarHBondContact OD1-OD2 2.72Å; D454-K456 VanDerWaalsContact C-N 3.27Å; D454-K456 PolarHBondContact O-N 2.95Å; D454-R457 PolarHBondContact O-N 3.26Å; D454-R457 VanDerWaalsContact O-N 3.09Å; D454-C458 PolarHBondContact O-N 3.34Å; D454-C458 PolarHBondContact O-SG 2.87Å |
| 455 | L | 86.4 | Confident | 78 | Confident | 10 Ų | 10 | 73.5 Ų | 73.5 | 5% | 0.052 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -57.9 | -41.4 | 173.8 | -179.1 | 63.1 | 0 | 0 | 0 | 111.4 | Y297 L300 I411 L433 L450 N451 E453 R457 C458 V472 | Y297-L455 HydrophobicContact CD1-CD2 3.98Å; Y297-L455 HydrophobicContact CE1-CD2 3.67Å; L300-L455 HydrophobicContact CD1-CD1 4.32Å; L300-L455 HydrophobicContact CD1-CD2 4.26Å; I411-L455 HydrophobicContact CD1-CD1 4.42Å; L433-L455 HydrophobicContact CD1-CD1 3.68Å; L450-L455 HydrophobicContact CD1-CD1 4.46Å; N451-L455 WeakPolarHBondContact O-CB 3.31Å; N451-L455 PolarHBondContact O-N 3.26Å; E453-L455 VanDerWaalsContact C-N 3.35Å; L455-R457 PolarHBondContact O-N 3.28Å; L455-C458 PolarHBondContact O-N 3.26Å; L455-V472 HydrophobicContact CG-CG1 4.48Å; L455-V472 VanDerWaalsContact O-CB 3.26Å; L455-V472 WeakPolarHBondContact O-CB 3.08Å; L455-V472 WeakPolarHBondContact O-CG2 3.41Å |
| 456 | K | 88 | Confident | 80.4 | Confident | 81 Ų | 81 | 71.3 Ų | 71.3 | 35% | 0.352 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -65.1 | -25.9 | 178.7 | -77.8 | 169 | -172.8 | 161.9 | 0 | 113.1 | E452 E453 D454 T471 V472 G473 | E452-K456 WeakPolarHBondContact O-CD 3.19Å; E452-K456 VanDerWaalsContact O-CG 3.28Å; E452-K456 WeakPolarHBondContact O-CG 3.31Å; E452-K456 PolarHBondContact O-N 2.99Å; E452-K456 WeakPolarHBondContact OE1-CE 3.34Å; E452-K456 IonicContact OE1-NZ 3.18Å; E452-K456 PolarHBondContact OE1-NZ 3.43Å; E453-K456 WeakPolarHBondContact O-CB 3.35Å; E453-K456 PolarHBondContact O-N 2.87Å; D454-K456 VanDerWaalsContact C-N 3.27Å; D454-K456 PolarHBondContact O-N 2.95Å; K456-T471 WeakPolarHBondContact O-CB 3.13Å; K456-V472 PolarHBondContact O-N 3.23Å; K456-G473 PolarHBondContact O-N 2.85Å |
| 457 | R | 89.1 | Confident | 82.9 | Confident | 134 Ų | 134 | 67.9 Ų | 67.9 | 51% | 0.506 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -85.4 | -18.7 | 179.2 | -65.8 | 176.1 | -172.2 | 169.6 | 6.9 | 113.8 | E453 D454 L455 T471 | E453-R457 PolarHBondContact O-N 2.98Å; D454-R457 PolarHBondContact O-N 3.26Å; D454-R457 VanDerWaalsContact O-N 3.09Å; L455-R457 PolarHBondContact O-N 3.28Å; R457-T471 WeakPolarHBondContact O-CG2 3.43Å |
| 458 | C | 89.6 | Confident | 85.4 | Confident | 8 Ų | 8 | 65.7 Ų | 65.7 | 5% | 0.054 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -62.2 | 142.8 | 177.8 | -66.3 | 0 | 0 | 0 | 0 | 111.3 | L433 D454 L455 T471 V472 | L433-C458 HydrophobicContact CB-CB 4.2Å; L433-C458 HydrophobicContact CD1-CB 4.2Å; L433-C458 HydrophobicContact CD2-CB 3.88Å; L433-C458 HydrophobicContact CG-CB 4.32Å; D454-C458 PolarHBondContact O-N 3.34Å; D454-C458 PolarHBondContact O-SG 2.87Å; L455-C458 PolarHBondContact O-N 3.26Å; C458-T471 CarbonylContact O-C 3.54Å; C458-T471 WeakPolarHBondContact O-CA 3.04Å; C458-V472 HydrophobicContact CB-CG2 4.31Å; C458-V472 WeakPolarHBondContact O-CG2 3.37Å; C458-V472 PolarHBondContact O-N 2.85Å |
| 459 | I | 92.2 | Very high | 87.5 | Confident | 48 Ų | 48 | 65.1 Ų | 65.1 | 25% | 0.246 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 137.3 | 179.7 | -62.4 | 171.9 | 0 | 0 | 0 | 109.8 | L433 I434 K470 T471 | L433-I459 CarbonylContact C-O 3.46Å; L433-I459 WeakPolarHBondContact CA-O 3.32Å; I434-I459 HydrophobicContact CB-CB 4.29Å; I434-I459 PolarHBondContact N-O 3.34Å; I434-I459 PolarHBondContact O-N 3.08Å; I459-K470 WeakPolarHBondContact CA-O 3.25Å; I459-T471 HydrophobicContact CG1-CG2 4.3Å |
| 460 | L | 93.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 120.5 | 178.4 | -71.2 | 167.5 | 0 | 0 | 0 | 111.7 | L300 A303 L305 L433 T462 L467 H468 G469 K470 V472 S475 | L300-L460 HydrophobicContact CD2-CD2 4.09Å; A303-L460 HydrophobicContact CB-CD1 4.2Å; A303-L460 HydrophobicContact CB-CD2 3.89Å; L305-L460 HydrophobicContact CD1-CD2 3.86Å; L433-L460 HydrophobicContact CD2-CD2 3.69Å; L433-L460 HydrophobicContact CD2-CG 4.41Å; L460-T462 HydrophobicContact CB-CG2 4.23Å; L460-L467 HydrophobicContact CD1-CB 4.25Å; L460-H468 PolarHBondContact O-ND1 3.41Å; L460-G469 PolarHBondContact O-N 2.98Å; L460-K470 PolarHBondContact N-O 3.07Å; L460-V472 HydrophobicContact CD2-CG2 4.04Å; L460-V472 HydrophobicContact CG-CG2 4.07Å; L460-S475 WeakPolarHBondContact CD1-OG 3.44Å |
| 461 | S | 93.9 | Very high | 90.6 | Very high | 37 Ų | 37 | 62.3 Ų | 62.3 | 26% | 0.259 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 113.9 | 161.8 | -169.5 | 0 | 0 | 0 | 0 | 108.8 | G431 K432 H468 | G431-S461 CarbonylContact C-O 3.47Å; G431-S461 VanDerWaalsContact CA-O 3.28Å; G431-S461 WeakPolarHBondContact CA-O 3.5Å; K432-S461 PolarHBondContact N-O 3.15Å; K432-S461 PolarHBondContact O-N 2.79Å; S461-H468 WeakPolarHBondContact CA-ND1 3.38Å |
| 462 | T | 94.3 | Very high | 91.3 | Very high | 12 Ų | 12 | 58.4 Ų | 58.4 | 7% | 0.074 | 29% | 0.293 | C | S | . | . | trans | -156.8 | 150.3 | -168.4 | 173.5 | 0 | 0 | 0 | 0 | 111.1 | A303 L460 I464 L467 H468 | A303-T462 WeakPolarHBondContact CA-OG1 3.22Å; A303-T462 HydrophobicContact CB-CG2 3.96Å; A303-T462 WeakPolarHBondContact O-CB 3.45Å; A303-T462 PolarHBondContact O-OG1 3.42Å; L460-T462 HydrophobicContact CB-CG2 4.23Å; T462-I464 HydrophobicContact CG2-CB 4.27Å; T462-I464 PolarHBondContact O-N 2.6Å; T462-I464 PolarHBondContact OG1-N 2.98Å; T462-L467 HydrophobicContact CG2-CB 4.08Å; T462-H468 HydrophobicContact CG2-CB 4.11Å; T462-H468 PolarHBondContact N-ND1 3.02Å | ||
| 463 | P | 92.5 | Very high | 92 | Very high | 79 Ų | 79 | 54.9 Ų | 54.9 | 51% | 0.513 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -65 | -11 | 170.1 | 27.4 | -36.5 | 0 | 0 | 0 | 113.9 | T383 P430 F465 | T383-P463 HydrophobicContact CG2-CG 3.72Å; P430-P463 HydrophobicContact CB-CG 4.33Å; P430-P463 HydrophobicContact CG-CG 4.25Å; P463-F465 PolarHBondContact O-N 2.91Å |
| 464 | I | 95.2 | Very high | 92.4 | Very high | 16 Ų | 16 | 55 Ų | 55 | 8% | 0.082 | 28% | 0.284 | C | S | . | . | trans | -82.6 | 100.2 | 177.3 | -52.2 | -51.8 | 0 | 0 | 0 | 109.9 | V302 F382 T383 T462 E466 L467 H468 I482 | V302-I464 HydrophobicContact CG1-CG2 4.45Å; V302-I464 VanDerWaalsContact O-CG1 3.3Å; V302-I464 WeakPolarHBondContact O-CG1 3.38Å; F382-I464 HydrophobicContact CB-CD1 3.67Å; T383-I464 HydrophobicContact CG2-CD1 4.09Å; T462-I464 HydrophobicContact CG2-CB 4.27Å; T462-I464 PolarHBondContact O-N 2.6Å; T462-I464 PolarHBondContact OG1-N 2.98Å; I464-E466 PolarHBondContact O-N 3.24Å; I464-E466 VanDerWaalsContact O-N 3.13Å; I464-L467 HydrophobicContact CB-CG 4.49Å; I464-L467 HydrophobicContact CG2-CB 4.43Å; I464-L467 HydrophobicContact CG2-CD1 4.24Å; I464-L467 HydrophobicContact CG2-CG 3.96Å; I464-L467 PolarHBondContact O-N 3.11Å; I464-H468 PolarHBondContact O-N 3.43Å; I464-I482 HydrophobicContact CG2-CD1 4.26Å | ||
| 465 | F | 94.7 | Very high | 93.1 | Very high | 183 Ų | 183 | 53 Ų | 53 | 80% | 0.803 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.8 | -41.5 | -175.1 | 175.6 | -101.2 | 0 | 0 | 0 | 113.6 | P463 L467 | P463-F465 PolarHBondContact O-N 2.91Å; F465-L467 PolarHBondContact O-N 2.95Å |
| 466 | E | 94.3 | Very high | 93.5 | Very high | 84 Ų | 84 | 54 Ų | 54 | 39% | 0.393 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -19.9 | -176.2 | -62.2 | 91.5 | 153.7 | 0 | 0 | 114.3 | I464 K470 K478 I482 | I464-E466 PolarHBondContact O-N 3.24Å; I464-E466 VanDerWaalsContact O-N 3.13Å; E466-K470 WeakPolarHBondContact O-CE 3.34Å; E466-K470 PolarHBondContact O-NZ 3.33Å; E466-K478 HydrophobicContact CB-CG 4.2Å; E466-I482 HydrophobicContact CB-CD1 4.21Å |
| 467 | L | 96.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.3 | -21.6 | -177.9 | -53.8 | -171.8 | 0 | 0 | 0 | 112.6 | V302 A303 L460 T462 I464 F465 G469 K470 K478 A479 I482 | V302-L467 HydrophobicContact CB-CD1 3.94Å; V302-L467 HydrophobicContact CG1-CD1 3.63Å; A303-L467 HydrophobicContact CB-CD1 4.21Å; L460-L467 HydrophobicContact CD1-CB 4.25Å; T462-L467 HydrophobicContact CG2-CB 4.08Å; I464-L467 HydrophobicContact CB-CG 4.49Å; I464-L467 HydrophobicContact CG2-CB 4.43Å; I464-L467 HydrophobicContact CG2-CD1 4.24Å; I464-L467 HydrophobicContact CG2-CG 3.96Å; I464-L467 PolarHBondContact O-N 3.11Å; F465-L467 PolarHBondContact O-N 2.95Å; L467-G469 PolarHBondContact O-N 3.17Å; L467-K470 PolarHBondContact O-N 3.01Å; L467-K478 HydrophobicContact CD2-CB 3.79Å; L467-K478 HydrophobicContact CD2-CG 3.71Å; L467-A479 HydrophobicContact CD1-CB 4.31Å; L467-I482 HydrophobicContact CD2-CD1 4.17Å; L467-I482 HydrophobicContact CG-CD1 4.26Å |
| 468 | H | 95.5 | Very high | 94.1 | Very high | 99 Ų | 99 | 52.3 Ų | 52.3 | 46% | 0.458 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | 134.9 | -179.1 | -172.8 | 53.1 | 0 | 0 | 0 | 112.1 | L460 S461 T462 I464 K470 | L460-H468 PolarHBondContact O-ND1 3.41Å; S461-H468 WeakPolarHBondContact CA-ND1 3.38Å; T462-H468 HydrophobicContact CG2-CB 4.11Å; T462-H468 PolarHBondContact N-ND1 3.02Å; I464-H468 PolarHBondContact O-N 3.43Å; H468-K470 PolarHBondContact O-N 2.87Å |
| 469 | G | 94.2 | Very high | 94.5 | Very high | 49 Ų | 49 | 51.9 Ų | 51.9 | 51% | 0.505 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.6 | -1.6 | 179 | 0 | 0 | 0 | 0 | 0 | 115 | L460 L467 | L460-G469 PolarHBondContact O-N 2.98Å; L467-G469 PolarHBondContact O-N 3.17Å |
| 470 | K | 95 | Very high | 94.6 | Very high | 84 Ų | 84 | 50.5 Ų | 50.5 | 37% | 0.365 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -97.6 | 158.2 | 175.8 | -65.5 | 179.1 | -177.5 | 165.9 | 0 | 111.4 | I459 L460 E466 L467 H468 S475 | I459-K470 WeakPolarHBondContact CA-O 3.25Å; L460-K470 PolarHBondContact N-O 3.07Å; E466-K470 WeakPolarHBondContact O-CE 3.34Å; E466-K470 PolarHBondContact O-NZ 3.33Å; L467-K470 PolarHBondContact O-N 3.01Å; H468-K470 PolarHBondContact O-N 2.87Å; K470-S475 WeakPolarHBondContact CB-OG 3.21Å |
| 471 | T | 94.6 | Very high | 94.7 | Very high | 30 Ų | 30 | 55.4 Ų | 55.4 | 18% | 0.184 | 29% | 0.293 | C | S | . | . | B | Isolated β-bridge | trans | -69 | 156.4 | 172.6 | 65.2 | 0 | 0 | 0 | 0 | 111.6 | K456 R457 C458 I459 G473 E474 S475 | K456-T471 WeakPolarHBondContact O-CB 3.13Å; R457-T471 WeakPolarHBondContact O-CG2 3.43Å; C458-T471 CarbonylContact O-C 3.54Å; C458-T471 WeakPolarHBondContact O-CA 3.04Å; I459-T471 HydrophobicContact CG1-CG2 4.3Å; T471-G473 PolarHBondContact O-N 2.69Å; T471-E474 WeakPolarHBondContact CB-OE2 3.48Å; T471-E474 WeakPolarHBondContact CG2-OE2 3.05Å; T471-E474 PolarHBondContact N-OE2 3.46Å; T471-E474 PolarHBondContact O-N 3.42Å; T471-E474 WeakPolarHBondContact OG1-CB 3.22Å; T471-E474 WeakPolarHBondContact OG1-CG 3.46Å; T471-E474 PolarHBondContact OG1-N 3.41Å; T471-E474 PolarHBondContact OG1-OE2 2.83Å; T471-S475 WeakPolarHBondContact O-CB 3.49Å; T471-S475 PolarHBondContact O-N 3.23Å; T471-S475 PolarHBondContact O-OG 3.25Å |
| 472 | V | 92.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -39.5 | 174.1 | 170.8 | 0 | 0 | 0 | 0 | 110.9 | S299 L300 L433 L455 K456 C458 L460 S475 M476 | S299-V472 WeakPolarHBondContact CB-O 3.49Å; S299-V472 WeakPolarHBondContact OG-CG1 3.4Å; S299-V472 PolarHBondContact OG-O 3.4Å; S299-V472 VanDerWaalsContact OG-O 3.08Å; L300-V472 HydrophobicContact CD2-CG1 4.02Å; L300-V472 HydrophobicContact CD2-CG2 3.69Å; L300-V472 HydrophobicContact CG-CG1 4.42Å; L433-V472 HydrophobicContact CD2-CG2 3.49Å; L433-V472 VanDerWaalsContact CD2-CG2 3.49Å; L455-V472 HydrophobicContact CG-CG1 4.48Å; L455-V472 VanDerWaalsContact O-CB 3.26Å; L455-V472 WeakPolarHBondContact O-CB 3.08Å; L455-V472 WeakPolarHBondContact O-CG2 3.41Å; K456-V472 PolarHBondContact O-N 3.23Å; C458-V472 HydrophobicContact CB-CG2 4.31Å; C458-V472 WeakPolarHBondContact O-CG2 3.37Å; C458-V472 PolarHBondContact O-N 2.85Å; L460-V472 HydrophobicContact CD2-CG2 4.04Å; L460-V472 HydrophobicContact CG-CG2 4.07Å; V472-S475 PolarHBondContact O-N 2.97Å; V472-M476 HydrophobicContact CG1-CE 4.14Å; V472-M476 WeakPolarHBondContact O-CG 3.4Å; V472-M476 PolarHBondContact O-N 3.11Å |
| 473 | G | 92.2 | Very high | 95 | Very high | 28 Ų | 28 | 54.3 Ų | 54.3 | 29% | 0.289 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -52.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | K456 T471 S475 M476 | K456-G473 PolarHBondContact O-N 2.85Å; T471-G473 PolarHBondContact O-N 2.69Å; G473-S475 PolarHBondContact O-N 3.43Å; G473-M476 WeakPolarHBondContact O-CB 3.28Å; G473-M476 PolarHBondContact O-N 3.46Å |
| 474 | E | 94 | Very high | 95 | Very high | 132 Ų | 132 | 56.1 Ų | 56.1 | 62% | 0.617 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -27.5 | 177 | -70 | 163.9 | 150.8 | 0 | 0 | 112.6 | T471 | T471-E474 WeakPolarHBondContact CB-OE2 3.48Å; T471-E474 WeakPolarHBondContact CG2-OE2 3.05Å; T471-E474 PolarHBondContact N-OE2 3.46Å; T471-E474 PolarHBondContact O-N 3.42Å; T471-E474 WeakPolarHBondContact OG1-CB 3.22Å; T471-E474 WeakPolarHBondContact OG1-CG 3.46Å; T471-E474 PolarHBondContact OG1-N 3.41Å; T471-E474 PolarHBondContact OG1-OE2 2.83Å |
| 475 | S | 96.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -81.3 | -12.2 | -178.6 | -66.5 | 0 | 0 | 0 | 0 | 114 | L460 K470 T471 V472 G473 K478 A479 | L460-S475 WeakPolarHBondContact CD1-OG 3.44Å; K470-S475 WeakPolarHBondContact CB-OG 3.21Å; T471-S475 WeakPolarHBondContact O-CB 3.49Å; T471-S475 PolarHBondContact O-N 3.23Å; T471-S475 PolarHBondContact O-OG 3.25Å; V472-S475 PolarHBondContact O-N 2.97Å; G473-S475 PolarHBondContact O-N 3.43Å; S475-K478 PolarHBondContact O-N 3.41Å; S475-A479 VanDerWaalsContact O-CB 3.25Å; S475-A479 WeakPolarHBondContact O-CB 3.48Å; S475-A479 PolarHBondContact O-N 3.43Å |
| 476 | M | 94.5 | Very high | 94.8 | Very high | 30 Ų | 30 | 54.9 Ų | 54.9 | 15% | 0.148 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -58.1 | -55.9 | -175.7 | -76.8 | -64.1 | -175.7 | 0 | 0 | 112.5 | Y297 P298 S299 V472 G473 K478 A479 M480 | Y297-M476 HydrophobicContact CD1-CE 4.01Å; P298-M476 HydrophobicContact CG-SD 3.71Å; S299-M476 WeakPolarHBondContact OG-CE 3.48Å; S299-M476 PolarHBondContact OG-SD 2.84Å; V472-M476 HydrophobicContact CG1-CE 4.14Å; V472-M476 WeakPolarHBondContact O-CG 3.4Å; V472-M476 PolarHBondContact O-N 3.11Å; G473-M476 WeakPolarHBondContact O-CB 3.28Å; G473-M476 PolarHBondContact O-N 3.46Å; M476-K478 VanDerWaalsContact C-N 3.31Å; M476-K478 PolarHBondContact O-N 3.25Å; M476-A479 PolarHBondContact O-N 2.64Å; M476-M480 VanDerWaalsContact O-CG 3.31Å; M476-M480 WeakPolarHBondContact O-CG 3.46Å; M476-M480 PolarHBondContact O-N 3.05Å |
| 477 | D | 94.2 | Very high | 94.5 | Very high | 110 Ų | 110 | 53 Ų | 53 | 59% | 0.588 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -68.5 | -33.8 | -176.5 | -68.7 | -29.1 | 0 | 0 | 0 | 111.6 | M480 Q481 R492 | D477-M480 PolarHBondContact O-N 3.42Å; D477-Q481 PolarHBondContact O-N 2.73Å; D477-R492 IonicContact OD1-NH2 3.36Å; D477-R492 PolarHBondContact OD1-NH2 3.33Å; D477-R492 VanDerWaalsContact OD1-NH2 3.13Å |
| 478 | K | 96.2 | Very high | 94.3 | Very high | 69 Ų | 69 | 54.7 Ų | 54.7 | 30% | 0.3 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66.7 | -41.8 | 175.4 | -170.4 | 64.1 | -175.2 | 174.6 | 0 | 111.7 | E466 L467 S475 M476 Q481 I482 | E466-K478 HydrophobicContact CB-CG 4.2Å; L467-K478 HydrophobicContact CD2-CB 3.79Å; L467-K478 HydrophobicContact CD2-CG 3.71Å; S475-K478 PolarHBondContact O-N 3.41Å; M476-K478 VanDerWaalsContact C-N 3.31Å; M476-K478 PolarHBondContact O-N 3.25Å; K478-Q481 WeakPolarHBondContact O-CB 3.37Å; K478-Q481 PolarHBondContact O-N 2.68Å; K478-I482 HydrophobicContact CG-CD1 4.25Å; K478-I482 VanDerWaalsContact O-CG1 3.32Å; K478-I482 WeakPolarHBondContact O-CG1 3.46Å; K478-I482 PolarHBondContact O-N 3Å |
| 479 | A | 96.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.6 | -42.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | P298 V302 L467 S475 M476 Q481 I482 L483 | P298-A479 HydrophobicContact CB-CB 4.26Å; V302-A479 HydrophobicContact CB-CB 4.02Å; V302-A479 HydrophobicContact CG2-CB 3.83Å; L467-A479 HydrophobicContact CD1-CB 4.31Å; S475-A479 VanDerWaalsContact O-CB 3.25Å; S475-A479 WeakPolarHBondContact O-CB 3.48Å; S475-A479 PolarHBondContact O-N 3.43Å; M476-A479 PolarHBondContact O-N 2.64Å; A479-Q481 VanDerWaalsContact C-N 3.31Å; A479-Q481 PolarHBondContact O-N 2.83Å; A479-I482 PolarHBondContact O-N 3.24Å; A479-L483 WeakPolarHBondContact O-CG 3.43Å; A479-L483 PolarHBondContact O-N 3.25Å |
| 480 | M | 95.9 | Very high | 94 | Very high | 19 Ų | 19 | 48.3 Ų | 48.3 | 9% | 0.094 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.1 | -43.7 | 173.1 | -69.2 | -66.3 | -71.8 | 0 | 0 | 111.8 | T254 P298 M476 D477 L483 K484 G490 R492 | T254-M480 HydrophobicContact CG2-CE 4.46Å; T254-M480 HydrophobicContact CG2-SD 3.59Å; T254-M480 VanDerWaalsContact CG2-SD 3.59Å; P298-M480 HydrophobicContact CB-SD 4.03Å; P298-M480 HydrophobicContact CG-CG 4.17Å; P298-M480 HydrophobicContact CG-SD 3.84Å; M476-M480 VanDerWaalsContact O-CG 3.31Å; M476-M480 WeakPolarHBondContact O-CG 3.46Å; M476-M480 PolarHBondContact O-N 3.05Å; D477-M480 PolarHBondContact O-N 3.42Å; M480-L483 PolarHBondContact O-N 3.03Å; M480-K484 WeakPolarHBondContact O-CB 3.43Å; M480-K484 PolarHBondContact O-N 3.35Å; M480-G490 VanDerWaalsContact CE-C 3.44Å; M480-R492 HydrophobicContact CE-CG 3.65Å |
| 481 | Q | 95.9 | Very high | 94 | Very high | 102 Ų | 102 | 47.4 Ų | 47.4 | 48% | 0.477 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.7 | -45.4 | 176.1 | -169.1 | -173.6 | 24.9 | 0 | 0 | 112 | D477 K478 A479 L483 K484 V485 | D477-Q481 PolarHBondContact O-N 2.73Å; K478-Q481 WeakPolarHBondContact O-CB 3.37Å; K478-Q481 PolarHBondContact O-N 2.68Å; A479-Q481 VanDerWaalsContact C-N 3.31Å; A479-Q481 PolarHBondContact O-N 2.83Å; Q481-L483 VanDerWaalsContact C-N 3.34Å; Q481-L483 PolarHBondContact O-N 3.19Å; Q481-K484 PolarHBondContact O-N 2.85Å; Q481-V485 HydrophobicContact CG-CG2 4.36Å; Q481-V485 WeakPolarHBondContact O-CG2 3.08Å; Q481-V485 PolarHBondContact O-N 3.36Å |
| 482 | I | 96.6 | Very high | 94 | Very high | 27 Ų | 27 | 49.9 Ų | 49.9 | 14% | 0.138 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.1 | -46.2 | 177.6 | -69.9 | 165.3 | 0 | 0 | 0 | 110.5 | V302 F382 I464 E466 L467 K478 A479 K484 S486 | V302-I482 HydrophobicContact CG1-CB 4.34Å; V302-I482 HydrophobicContact CG1-CD1 4.05Å; V302-I482 HydrophobicContact CG1-CG2 3.93Å; F382-I482 HydrophobicContact CD1-CG2 4.12Å; F382-I482 HydrophobicContact CE1-CG2 3.56Å; F382-I482 HydrophobicContact CE2-CG2 4.12Å; F382-I482 HydrophobicContact CZ-CG2 3.57Å; I464-I482 HydrophobicContact CG2-CD1 4.26Å; E466-I482 HydrophobicContact CB-CD1 4.21Å; L467-I482 HydrophobicContact CD2-CD1 4.17Å; L467-I482 HydrophobicContact CG-CD1 4.26Å; K478-I482 HydrophobicContact CG-CD1 4.25Å; K478-I482 VanDerWaalsContact O-CG1 3.32Å; K478-I482 WeakPolarHBondContact O-CG1 3.46Å; K478-I482 PolarHBondContact O-N 3Å; A479-I482 PolarHBondContact O-N 3.24Å; I482-K484 VanDerWaalsContact C-N 3.34Å; I482-K484 PolarHBondContact O-N 2.79Å; I482-S486 WeakPolarHBondContact O-CB 3.33Å; I482-S486 PolarHBondContact O-N 3.24Å; I482-S486 PolarHBondContact O-OG 3.18Å |
| 483 | L | 95.9 | Very high | 94 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61 | -42.6 | 177 | -70.8 | 170.6 | 0 | 0 | 0 | 112.1 | T254 M256 P298 V302 F382 A479 M480 Q481 S486 G487 R488 G489 | T254-L483 HydrophobicContact CG2-CD1 3.99Å; M256-L483 HydrophobicContact CB-CD2 4.43Å; M256-L483 HydrophobicContact CE-CD2 3.97Å; M256-L483 HydrophobicContact CG-CD2 3.73Å; M256-L483 HydrophobicContact SD-CD2 3.82Å; P298-L483 HydrophobicContact CB-CD1 4.02Å; V302-L483 HydrophobicContact CG2-CD1 3.98Å; V302-L483 HydrophobicContact CG2-CD2 3.86Å; V302-L483 HydrophobicContact CG2-CG 3.65Å; F382-L483 HydrophobicContact CE2-CD2 3.99Å; F382-L483 HydrophobicContact CZ-CD2 4.01Å; A479-L483 WeakPolarHBondContact O-CG 3.43Å; A479-L483 PolarHBondContact O-N 3.25Å; M480-L483 PolarHBondContact O-N 3.03Å; Q481-L483 VanDerWaalsContact C-N 3.34Å; Q481-L483 PolarHBondContact O-N 3.19Å; L483-S486 PolarHBondContact O-OG 3.06Å; L483-S486 VanDerWaalsContact O-OG 3.1Å; L483-G487 PolarHBondContact O-N 3.19Å; L483-R488 HydrophobicContact CD2-CB 4.24Å; L483-R488 PolarHBondContact O-N 2.83Å; L483-G489 CarbonylContact C-O 3.53Å; L483-G489 PolarHBondContact O-N 2.92Å |
| 484 | K | 92.9 | Very high | 94 | Very high | 117 Ų | 117 | 49.1 Ų | 49.1 | 51% | 0.509 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -66.9 | -48.2 | -179.3 | -169 | 170.1 | -177.7 | 173.2 | 0 | 112.2 | M480 Q481 I482 S486 G487 G489 Y491 | M480-K484 WeakPolarHBondContact O-CB 3.43Å; M480-K484 PolarHBondContact O-N 3.35Å; Q481-K484 PolarHBondContact O-N 2.85Å; I482-K484 VanDerWaalsContact C-N 3.34Å; I482-K484 PolarHBondContact O-N 2.79Å; K484-S486 VanDerWaalsContact C-N 3.32Å; K484-S486 PolarHBondContact O-N 3.06Å; K484-G487 PolarHBondContact O-N 3.35Å; K484-G489 VanDerWaalsContact CA-O 3.26Å; K484-G489 WeakPolarHBondContact CA-O 3.12Å; K484-G489 PolarHBondContact N-O 3.1Å; K484-Y491 HydrophobicContact CD-CE1 4.3Å; K484-Y491 HydrophobicContact CG-CE1 4.44Å |
| 485 | V | 93.4 | Very high | 93.6 | Very high | 122 Ų | 122 | 45.4 Ų | 45.4 | 74% | 0.739 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -64.8 | -36.9 | -180 | 172.1 | 0 | 0 | 0 | 0 | 111.6 | Q481 G487 | Q481-V485 HydrophobicContact CG-CG2 4.36Å; Q481-V485 WeakPolarHBondContact O-CG2 3.08Å; Q481-V485 PolarHBondContact O-N 3.36Å; V485-G487 PolarHBondContact O-N 3.06Å |
| 486 | S | 92.6 | Very high | 93 | Very high | 50 Ų | 50 | 49.2 Ų | 49.2 | 35% | 0.35 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -5.3 | 178.1 | 60 | 0 | 0 | 0 | 0 | 114.4 | F382 I482 L483 K484 R488 | F382-S486 WeakPolarHBondContact CE1-OG 3.47Å; I482-S486 WeakPolarHBondContact O-CB 3.33Å; I482-S486 PolarHBondContact O-N 3.24Å; I482-S486 PolarHBondContact O-OG 3.18Å; L483-S486 PolarHBondContact O-OG 3.06Å; L483-S486 VanDerWaalsContact O-OG 3.1Å; K484-S486 VanDerWaalsContact C-N 3.32Å; K484-S486 PolarHBondContact O-N 3.06Å; S486-R488 VanDerWaalsContact C-N 3.26Å; S486-R488 PolarHBondContact O-N 3.43Å; S486-R488 WeakPolarHBondContact OG-CG 3.44Å |
| 487 | G | 89.1 | Confident | 92.5 | Very high | 44 Ų | 44 | 50.6 Ų | 50.6 | 45% | 0.454 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.7 | 30.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113 | R290 L483 K484 V485 | R290-G487 PolarHBondContact NH1-O 2.82Å; L483-G487 PolarHBondContact O-N 3.19Å; K484-G487 PolarHBondContact O-N 3.35Å; V485-G487 PolarHBondContact O-N 3.06Å |
| 488 | R | 91.4 | Very high | 91.9 | Very high | 36 Ų | 36 | 46.8 Ų | 46.8 | 14% | 0.136 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -111.4 | 9.6 | -178.3 | -64.1 | -64.4 | -168.6 | 162 | -3 | 113.4 | M256 E257 N259 P381 L483 S486 | M256-R488 CarbonylContact C-O 3.6Å; M256-R488 WeakPolarHBondContact CA-O 3.32Å; E257-R488 PolarHBondContact N-O 3.43Å; E257-R488 WeakPolarHBondContact O-CD 3.48Å; E257-R488 PolarHBondContact O-NH1 3.33Å; N259-R488 PolarHBondContact ND2-NH2 3.38Å; N259-R488 VanDerWaalsContact ND2-NH2 3.19Å; N259-R488 PolarHBondContact OD1-NH1 3.04Å; N259-R488 PolarHBondContact OD1-NH2 3.48Å; P381-R488 HydrophobicContact CB-CG 3.97Å; P381-R488 HydrophobicContact CG-CG 4.41Å; L483-R488 HydrophobicContact CD2-CB 4.24Å; L483-R488 PolarHBondContact O-N 2.83Å; S486-R488 VanDerWaalsContact C-N 3.26Å; S486-R488 PolarHBondContact O-N 3.43Å; S486-R488 WeakPolarHBondContact OG-CG 3.44Å |
| 489 | G | 91.2 | Very high | 91.6 | Very high | 7 Ų | 7 | 43.6 Ų | 43.6 | 7% | 0.072 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 133.7 | -136.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q255 L483 K484 Y491 | Q255-G489 WeakPolarHBondContact O-CA 3.39Å; L483-G489 CarbonylContact C-O 3.53Å; L483-G489 PolarHBondContact O-N 2.92Å; K484-G489 VanDerWaalsContact CA-O 3.26Å; K484-G489 WeakPolarHBondContact CA-O 3.12Å; K484-G489 PolarHBondContact N-O 3.1Å; G489-Y491 WeakPolarHBondContact O-CD2 3.48Å; G489-Y491 WeakPolarHBondContact O-CE2 3.5Å |
| 490 | G | 92.9 | Very high | 91.5 | Very high | 7 Ų | 7 | 43.7 Ų | 43.7 | 7% | 0.072 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 84.5 | 29.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | T254 M480 | T254-G490 WeakPolarHBondContact OG1-CA 3.16Å; T254-G490 PolarHBondContact OG1-N 3.19Å; T254-G490 VanDerWaalsContact OG1-N 3.15Å; M480-G490 VanDerWaalsContact CE-C 3.44Å |
| 491 | Y | 94 | Very high | 91.3 | Very high | 65 Ų | 65 | 43.4 Ų | 43.4 | 26% | 0.255 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 125.6 | 175.2 | -58.1 | -83.6 | 0 | 0 | 0 | 109.2 | A220 T254 K484 G489 C493 | A220-Y491 HydrophobicContact CB-CD1 3.92Å; A220-Y491 HydrophobicContact CB-CD2 3.79Å; A220-Y491 HydrophobicContact CB-CE1 4.29Å; A220-Y491 HydrophobicContact CB-CE2 4.18Å; A220-Y491 HydrophobicContact CB-CG 3.67Å; A220-Y491 VanDerWaalsContact O-CD1 3.28Å; A220-Y491 WeakPolarHBondContact O-CD1 3.24Å; T254-Y491 WeakPolarHBondContact CA-O 3.24Å; T254-Y491 WeakPolarHBondContact CB-O 3.44Å; T254-Y491 PolarHBondContact OG1-N 2.89Å; T254-Y491 VanDerWaalsContact OG1-N 3.16Å; T254-Y491 PolarHBondContact OG1-O 2.93Å; T254-Y491 VanDerWaalsContact OG1-O 3.12Å; K484-Y491 HydrophobicContact CD-CE1 4.3Å; K484-Y491 HydrophobicContact CG-CE1 4.44Å; G489-Y491 WeakPolarHBondContact O-CD2 3.48Å; G489-Y491 WeakPolarHBondContact O-CE2 3.5Å; Y491-C493 PolarHBondContact O-N 3.4Å |
| 492 | R | 94.4 | Very high | 91.2 | Very high | 83 Ų | 83 | 38.5 Ų | 38.5 | 31% | 0.313 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 126.2 | -178.8 | -68.8 | -171.5 | 178.1 | -100 | 0.6 | 110.2 | S222 L251 G253 D477 M480 | S222-R492 WeakPolarHBondContact CB-O 3.36Å; L251-R492 HydrophobicContact CB-CB 4.14Å; G253-R492 CarbonylContact O-C 3.57Å; G253-R492 VanDerWaalsContact O-CA 3.26Å; G253-R492 WeakPolarHBondContact O-CA 3.18Å; D477-R492 IonicContact OD1-NH2 3.36Å; D477-R492 PolarHBondContact OD1-NH2 3.33Å; D477-R492 VanDerWaalsContact OD1-NH2 3.13Å; M480-R492 HydrophobicContact CE-CG 3.65Å |
| 493 | C | 93.4 | Very high | 91 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 167.9 | 179.5 | 68.4 | 0 | 0 | 0 | 0 | 111.5 | N252 G253 Y491 | N252-C493 PolarHBondContact N-O 3.38Å; G253-C493 PolarHBondContact N-O 2.83Å; G253-C493 PolarHBondContact O-N 3.2Å; Y491-C493 PolarHBondContact O-N 3.4Å |
| 494 | D | 91.3 | Very high | 90.8 | Very high | 11 Ų | 11 | 37.7 Ų | 37.7 | 6% | 0.059 | 20% | 0.199 | C | C | . | . | trans | -92.5 | 149.4 | 173.6 | 179.9 | -87 | 0 | 0 | 0 | 110.7 | L248 H250 M496 R497 | L248-D494 VanDerWaalsContact O-CB 3.26Å; L248-D494 WeakPolarHBondContact O-CB 3.37Å; H250-D494 PolarHBondContact N-OD2 2.79Å; H250-D494 WeakPolarHBondContact O-CA 3.32Å; D494-M496 VanDerWaalsContact C-N 3.28Å; D494-M496 PolarHBondContact O-N 3.48Å; D494-M496 WeakPolarHBondContact OD1-CA 3.42Å; D494-M496 WeakPolarHBondContact OD1-CB 3.06Å; D494-M496 PolarHBondContact OD1-N 2.61Å; D494-R497 HydrophobicContact CB-CG 3.95Å; D494-R497 PolarHBondContact O-N 3.31Å | ||
| 495 | N | 86.9 | Confident | 90.7 | Very high | 55 Ų | 55 | 32.8 Ų | 32.8 | 29% | 0.294 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -10 | -175.5 | 72.5 | -39.4 | 0 | 0 | 0 | 114.2 | F294 Y403 | F294-N495 HydrophobicContact CD1-CB 3.6Å; F294-N495 HydrophobicContact CD2-CB 4.26Å; F294-N495 HydrophobicContact CE1-CB 3.37Å; F294-N495 HydrophobicContact CE2-CB 4.05Å; F294-N495 HydrophobicContact CG-CB 4.04Å; F294-N495 HydrophobicContact CZ-CB 3.6Å; Y403-N495 WeakPolarHBondContact CD2-O 3.38Å |
| 496 | M | 83.9 | Confident | 90.5 | Very high | 80 Ų | 80 | 27.7 Ų | 27.7 | 39% | 0.394 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | 0.7 | 176.9 | -57 | -62.5 | -66.5 | 0 | 0 | 112.3 | P400 A402 D494 | P400-M496 WeakPolarHBondContact O-CE 3.23Å; A402-M496 VanDerWaalsContact CB-C 3.48Å; D494-M496 VanDerWaalsContact C-N 3.28Å; D494-M496 PolarHBondContact O-N 3.48Å; D494-M496 WeakPolarHBondContact OD1-CA 3.42Å; D494-M496 WeakPolarHBondContact OD1-CB 3.06Å; D494-M496 PolarHBondContact OD1-N 2.61Å |
| 497 | R | 84 | Confident | 90.6 | Very high | 58 Ų | 58 | 25.9 Ų | 25.9 | 22% | 0.219 | 13% | 0.131 | C | C | . | . | trans | -108 | 127.5 | -176 | -54.5 | -55.6 | 162.2 | 177.6 | 13.8 | 112.4 | T219 G246 W247 Y403 D494 | T219-R497 HydrophobicContact CG2-CB 4.45Å; G246-R497 PolarHBondContact O-NH2 2.86Å; W247-R497 VanDerWaalsContact CE3-NH1 3.31Å; W247-R497 VanDerWaalsContact CZ3-NH1 3.33Å; W247-R497 WeakPolarHBondContact O-CD 3.34Å; W247-R497 PolarHBondContact O-NE 3.24Å; W247-R497 PolarHBondContact O-NH2 3.14Å; Y403-R497 VanDerWaalsContact CE2-O 3.3Å; Y403-R497 WeakPolarHBondContact CE2-O 3.17Å; Y403-R497 PolarHBondContact OH-O 3.3Å; D494-R497 HydrophobicContact CB-CG 3.95Å; D494-R497 PolarHBondContact O-N 3.31Å | ||
| 498 | T | 82.1 | Confident | 90.9 | Very high | 30 Ų | 30 | 24.2 Ų | 24.2 | 18% | 0.184 | 11% | 0.111 | C | C | . | . | trans | -94.1 | 160 | 174.3 | 49.1 | 0 | 0 | 0 | 0 | 110.1 | D190 A402 | D190-T498 WeakPolarHBondContact OD2-CB 3.24Å; D190-T498 WeakPolarHBondContact OD2-CG2 3.33Å; D190-T498 PolarHBondContact OD2-OG1 3.26Å; A402-T498 HydrophobicContact CB-CG2 3.47Å; A402-T498 VanDerWaalsContact CB-CG2 3.47Å | ||
| 499 | D | 90 | Very high | 91.1 | Very high | 3 Ų | 3 | 22.5 Ų | 22.5 | 2% | 0.016 | 11% | 0.105 | C | C | . | . | trans | -75.1 | 152.9 | 167.6 | -75.8 | -37 | 0 | 0 | 0 | 110.6 | Y172 F215 F216 R217 T218 T219 Q255 L501 | Y172-D499 HydrophobicContact CE1-CB 4.42Å; Y172-D499 WeakPolarHBondContact OH-CB 3.3Å; Y172-D499 PolarHBondContact OH-OD2 2.82Å; F215-D499 HydrophobicContact CB-CB 4.25Å; F215-D499 HydrophobicContact CD1-CB 4.34Å; F216-D499 VanDerWaalsContact O-CB 3.29Å; F216-D499 WeakPolarHBondContact O-CB 3.45Å; R217-D499 VanDerWaalsContact CA-OD1 3.29Å; R217-D499 WeakPolarHBondContact CA-OD1 3.35Å; T218-D499 PolarHBondContact N-OD1 3.46Å; T219-D499 VanDerWaalsContact CB-OD1 3.3Å; T219-D499 WeakPolarHBondContact CB-OD1 3.47Å; T219-D499 VanDerWaalsContact CG2-OD1 3.25Å; T219-D499 WeakPolarHBondContact CG2-OD1 3.19Å; T219-D499 PolarHBondContact N-OD1 2.99Å; T219-D499 PolarHBondContact OG1-OD1 3Å; Q255-D499 PolarHBondContact NE2-OD2 3.35Å; D499-L501 PolarHBondContact O-N 3.35Å; D499-L501 VanDerWaalsContact O-N 3.16Å | ||
| 500 | W | 92.8 | Very high | 91.4 | Very high | 1 Ų | 1 | 22.2 Ų | 22.2 | 0% | 0.004 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 113.4 | -176.4 | 174.9 | 15.1 | 0 | 0 | 0 | 111.4 | F215 F216 T218 I502 D574 F576 V577 Y623 F626 | F215-W500 CarbonylContact C-O 3.39Å; F215-W500 WeakPolarHBondContact CA-O 3.37Å; F216-W500 HydrophobicContact CB-CB 4.38Å; F216-W500 HydrophobicContact CB-CE3 4.37Å; F216-W500 HydrophobicContact CD2-CD2 4.34Å; F216-W500 AromaticContact CD2-CE3 3.74Å; F216-W500 HydrophobicContact CD2-CE3 3.74Å; F216-W500 AromaticContact CD2-CZ3 3.91Å; F216-W500 HydrophobicContact CD2-CZ3 3.91Å; F216-W500 HydrophobicContact CE2-CZ3 4.4Å; F216-W500 PolarHBondContact N-O 3.31Å; F216-W500 PolarHBondContact O-N 3.48Å; T218-W500 HydrophobicContact CG2-CB 3.6Å; T218-W500 HydrophobicContact CG2-CE3 4.15Å; T218-W500 PolarHBondContact OG1-N 3.48Å; W500-I502 HydrophobicContact CD2-CG2 3.68Å; W500-I502 HydrophobicContact CE3-CG2 4.32Å; W500-I502 HydrophobicContact CG-CG2 3.8Å; W500-I502 HydrophobicContact CZ2-CG2 4.18Å; W500-I502 PolarHBondContact O-N 2.82Å; W500-D574 PolarHBondContact NE1-OD2 3.33Å; W500-D574 VanDerWaalsContact NE1-OD2 3.12Å; W500-F576 HydrophobicContact CH2-CB 4.09Å; W500-F576 HydrophobicContact CZ2-CB 3.49Å; W500-F576 VanDerWaalsContact CZ2-CB 3.49Å; W500-V577 HydrophobicContact CH2-CB 4.26Å; W500-V577 HydrophobicContact CH2-CG2 3.72Å; W500-V577 HydrophobicContact CZ2-CB 4.43Å; W500-V577 HydrophobicContact CZ2-CG2 3.57Å; W500-Y623 HydrophobicContact CB-CE1 4.01Å; W500-Y623 AromaticContact CD1-CE1 3.96Å; W500-Y623 AromaticContact CD1-CZ 3.81Å; W500-Y623 AromaticContact CD2-CD1 3.61Å; W500-Y623 HydrophobicContact CD2-CD1 3.61Å; W500-Y623 AromaticContact CD2-CE1 3.45Å; W500-Y623 HydrophobicContact CD2-CE1 3.45Å; W500-Y623 VanDerWaalsContact CD2-CE1 3.45Å; W500-Y623 HydrophobicContact CD2-CE2 4.44Å; W500-Y623 HydrophobicContact CD2-CG 4.19Å; W500-Y623 AromaticContact CD2-CZ 3.87Å; W500-Y623 AromaticContact CE2-CE1 3.87Å; W500-Y623 AromaticContact CE2-CZ 3.81Å; W500-Y623 AromaticContact CE3-CD1 3.39Å; W500-Y623 HydrophobicContact CE3-CD1 3.39Å; W500-Y623 AromaticContact CE3-CE1 3.74Å; W500-Y623 HydrophobicContact CE3-CE1 3.74Å; W500-Y623 AromaticContact CE3-CG 3.94Å; W500-Y623 HydrophobicContact CE3-CG 3.94Å; W500-Y623 HydrophobicContact CG-CD1 4.2Å; W500-Y623 AromaticContact CG-CE1 3.57Å; W500-Y623 HydrophobicContact CG-CE1 3.57Å; W500-Y623 AromaticContact CG-CZ 3.91Å; W500-Y623 HydrophobicContact CH2-CD1 4.11Å; W500-Y623 HydrophobicContact CH2-CD2 4.11Å; W500-Y623 AromaticContact CH2-CG 3.77Å; W500-Y623 HydrophobicContact CH2-CG 3.77Å; W500-Y623 HydrophobicContact CZ2-CD1 4.33Å; W500-Y623 HydrophobicContact CZ2-CD2 4.01Å; W500-Y623 HydrophobicContact CZ2-CE2 4.2Å; W500-Y623 HydrophobicContact CZ2-CG 4.06Å; W500-Y623 AromaticContact CZ3-CD1 3.65Å; W500-Y623 HydrophobicContact CZ3-CD1 3.65Å; W500-Y623 HydrophobicContact CZ3-CD2 4.47Å; W500-Y623 HydrophobicContact CZ3-CE1 4.36Å; W500-Y623 AromaticContact CZ3-CG 3.71Å; W500-Y623 HydrophobicContact CZ3-CG 3.71Å; W500-Y623 AromaticContact NE1-CZ 3.77Å; W500-F626 HydrophobicContact CE3-CD1 4.22Å; W500-F626 HydrophobicContact CE3-CE1 4.36Å; W500-F626 HydrophobicContact CZ3-CD1 4.25Å |
| 501 | L | 92.5 | Very high | 91.6 | Very high | 13 Ų | 13 | 21.9 Ų | 21.9 | 7% | 0.068 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 110.8 | 172.7 | -164.5 | 167.4 | 0 | 0 | 0 | 110.2 | V178 V187 Q213 F215 D499 S503 R504 | V178-L501 HydrophobicContact CB-CD1 3.85Å; V178-L501 HydrophobicContact CG1-CD1 3.5Å; V187-L501 HydrophobicContact CG1-CD1 3.57Å; V187-L501 HydrophobicContact CG1-CD2 3.5Å; V187-L501 VanDerWaalsContact CG1-CD2 3.5Å; V187-L501 HydrophobicContact CG1-CG 4.22Å; Q213-L501 HydrophobicContact CB-CD2 4.42Å; Q213-L501 HydrophobicContact CB-CG 4.32Å; Q213-L501 HydrophobicContact CG-CD2 4.49Å; F215-L501 HydrophobicContact CD1-CB 3.96Å; F215-L501 HydrophobicContact CD1-CG 4.32Å; F215-L501 HydrophobicContact CE1-CB 3.61Å; F215-L501 HydrophobicContact CE1-CD1 3.97Å; F215-L501 HydrophobicContact CE1-CG 3.71Å; F215-L501 HydrophobicContact CZ-CB 4.34Å; F215-L501 HydrophobicContact CZ-CD1 3.97Å; F215-L501 HydrophobicContact CZ-CG 3.92Å; D499-L501 PolarHBondContact O-N 3.35Å; D499-L501 VanDerWaalsContact O-N 3.16Å; L501-S503 WeakPolarHBondContact CD2-O 3.27Å; L501-R504 PolarHBondContact O-NH1 2.77Å; L501-R504 PolarHBondContact O-NH2 3.37Å |
| 502 | I | 94.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 9% | 0.086 | C | C | . | . | trans | -105.8 | -19.3 | -171 | 51.6 | 146.5 | 0 | 0 | 0 | 115 | F162 W214 F216 W500 L573 D574 V577 | F162-I502 HydrophobicContact CD2-CD1 3.89Å; F162-I502 HydrophobicContact CE2-CD1 3.57Å; W214-I502 HydrophobicContact CB-CD1 3.78Å; W214-I502 HydrophobicContact CB-CG1 3.77Å; W214-I502 VanDerWaalsContact O-CG1 3.24Å; W214-I502 WeakPolarHBondContact O-CG1 3.4Å; W214-I502 PolarHBondContact O-N 3.37Å; F216-I502 HydrophobicContact CB-CG2 4.4Å; F216-I502 HydrophobicContact CD1-CD1 3.75Å; F216-I502 HydrophobicContact CD1-CG1 4.33Å; F216-I502 HydrophobicContact CD1-CG2 4.39Å; F216-I502 HydrophobicContact CD2-CG2 3.62Å; F216-I502 HydrophobicContact CE1-CD1 3.42Å; F216-I502 VanDerWaalsContact CE1-CD1 3.42Å; F216-I502 HydrophobicContact CE1-CG1 4.41Å; F216-I502 HydrophobicContact CE2-CD1 4.43Å; F216-I502 HydrophobicContact CE2-CG2 3.9Å; F216-I502 HydrophobicContact CG-CD1 4.39Å; F216-I502 HydrophobicContact CG-CG2 3.88Å; F216-I502 HydrophobicContact CZ-CD1 3.8Å; F216-I502 HydrophobicContact CZ-CG2 4.41Å; W500-I502 HydrophobicContact CD2-CG2 3.68Å; W500-I502 HydrophobicContact CE3-CG2 4.32Å; W500-I502 HydrophobicContact CG-CG2 3.8Å; W500-I502 HydrophobicContact CZ2-CG2 4.18Å; W500-I502 PolarHBondContact O-N 2.82Å; I502-L573 HydrophobicContact CB-CD2 4.3Å; I502-L573 HydrophobicContact CD1-CD2 3.48Å; I502-L573 VanDerWaalsContact CD1-CD2 3.48Å; I502-L573 HydrophobicContact CG1-CD2 4.39Å; I502-L573 CarbonylContact O-C 3.54Å; I502-L573 WeakPolarHBondContact O-CA 3.33Å; I502-D574 PolarHBondContact O-N 3.09Å; I502-V577 HydrophobicContact CB-CG2 4.36Å; I502-V577 HydrophobicContact CG2-CG2 3.92Å | ||
| 503 | S | 93 | Very high | 92 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 143.1 | -179.3 | 40.2 | 0 | 0 | 0 | 0 | 112.2 | Q213 W214 L501 D571 T572 | Q213-S503 WeakPolarHBondContact CA-OG 3.23Å; Q213-S503 VanDerWaalsContact CB-OG 3.3Å; Q213-S503 WeakPolarHBondContact CB-OG 3.47Å; Q213-S503 VanDerWaalsContact OE1-CB 3.25Å; Q213-S503 PolarHBondContact OE1-O 2.95Å; Q213-S503 PolarHBondContact OE1-OG 3.34Å; W214-S503 PolarHBondContact N-OG 3.31Å; L501-S503 WeakPolarHBondContact CD2-O 3.27Å; S503-D571 WeakPolarHBondContact CB-OD2 3.38Å; S503-T572 CarbonylContact C-O 3.45Å; S503-T572 WeakPolarHBondContact CA-O 3.2Å |
| 504 | R | 91.1 | Very high | 92.3 | Very high | 10 Ų | 10 | 15 Ų | 15 | 4% | 0.038 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 133.1 | 179.3 | -58 | -68.1 | 176.8 | -93.9 | 4.6 | 109.2 | V187 L501 R506 D571 T572 D574 | V187-R504 VanDerWaalsContact O-CD 3.31Å; V187-R504 WeakPolarHBondContact O-CD 3.48Å; L501-R504 PolarHBondContact O-NH1 2.77Å; L501-R504 PolarHBondContact O-NH2 3.37Å; R504-R506 HydrophobicContact CB-CB 4.35Å; R504-R506 HydrophobicContact CB-CG 4.12Å; R504-R506 PolarHBondContact O-N 2.79Å; R504-D571 WeakPolarHBondContact O-CA 3.43Å; R504-T572 PolarHBondContact N-O 3.44Å; R504-T572 PolarHBondContact O-N 3.22Å; R504-T572 PolarHBondContact O-OG1 2.86Å; R504-D574 HydrophobicContact CG-CB 4.38Å; R504-D574 IonicContact CZ-OD1 2.7Å; R504-D574 IonicContact CZ-OD2 3.13Å; R504-D574 IonicContact NE-OD1 2.77Å; R504-D574 IonicContact NH2-OD1 3.49Å; R504-D574 PolarHBondContact NH2-OD1 3.34Å; R504-D574 IonicContact NH2-OD2 3.16Å; R504-D574 PolarHBondContact NH2-OD2 3.37Å |
| 505 | Q | 90.5 | Very high | 92.5 | Very high | 14 Ų | 14 | 14.5 Ų | 14.5 | 7% | 0.065 | 7% | 0.069 | C | C | . | . | S | Bend | trans | -83 | 61.8 | 178.4 | -67 | 64.7 | 54.8 | 0 | 0 | 109.4 | Q213 D571 | Q213-Q505 VanDerWaalsContact CD-NE2 3.31Å; Q505-D571 VanDerWaalsContact NE2-CG 3.25Å; Q505-D571 PolarHBondContact NE2-OD1 3.32Å; Q505-D571 PolarHBondContact NE2-OD2 3.16Å |
| 506 | R | 90.1 | Very high | 92.9 | Very high | 14 Ų | 14 | 14.4 Ų | 14.4 | 5% | 0.053 | 7% | 0.067 | C | C | . | . | trans | -142.5 | 152.8 | -168.1 | -58.3 | -66.5 | -74.9 | -128.5 | 1.7 | 110.3 | L105 E108 N109 D184 R504 T572 | L105-R506 HydrophobicContact CD2-CG 4.36Å; E108-R506 IonicContact OE2-CZ 3.58Å; E108-R506 IonicContact OE2-NE 2.93Å; E108-R506 PolarHBondContact OE2-NE 2.77Å; E108-R506 IonicContact OE2-NH2 3.84Å; E108-R506 PolarHBondContact OE2-NH2 3.24Å; N109-R506 VanDerWaalsContact CG-NH2 3.28Å; N109-R506 PolarHBondContact ND2-NH2 3Å; N109-R506 PolarHBondContact OD1-NH2 2.84Å; D184-R506 PolarHBondContact O-NH1 3.31Å; R504-R506 HydrophobicContact CB-CB 4.35Å; R504-R506 HydrophobicContact CB-CG 4.12Å; R504-R506 PolarHBondContact O-N 2.79Å; R506-T572 WeakPolarHBondContact O-CG2 3.39Å; R506-T572 PolarHBondContact O-OG1 3.49Å | ||
| 507 | Y | 93.8 | Very high | 93.4 | Very high | 12 Ų | 12 | 10.8 Ų | 10.8 | 5% | 0.047 | 5% | 0.049 | C | C | . | . | S | Bend | trans | -81.4 | -46.1 | 178.6 | 168.9 | -100.6 | 0 | 0 | 0 | 112.2 | E108 G509 L534 P535 L537 L541 P547 L548 | E108-Y507 PolarHBondContact OE1-N 3.04Å; Y507-G509 VanDerWaalsContact C-N 3.29Å; Y507-G509 PolarHBondContact O-N 3.47Å; Y507-L534 HydrophobicContact CD2-CD2 4.23Å; Y507-L534 HydrophobicContact CE2-CB 4.37Å; Y507-L534 HydrophobicContact CE2-CD2 4.07Å; Y507-L534 VanDerWaalsContact O-CD2 3.3Å; Y507-L534 WeakPolarHBondContact O-CD2 3.47Å; Y507-P535 WeakPolarHBondContact CE2-O 3.42Å; Y507-P535 PolarHBondContact OH-O 3.41Å; Y507-L537 HydrophobicContact CD1-CD1 3.86Å; Y507-L537 HydrophobicContact CD1-CD2 3.98Å; Y507-L537 HydrophobicContact CD1-CG 4.09Å; Y507-L537 HydrophobicContact CD2-CD2 3.85Å; Y507-L537 HydrophobicContact CD2-CG 4.45Å; Y507-L537 HydrophobicContact CE1-CD1 3.47Å; Y507-L537 VanDerWaalsContact CE1-CD1 3.47Å; Y507-L537 HydrophobicContact CE1-CD2 3.95Å; Y507-L537 HydrophobicContact CE1-CG 3.59Å; Y507-L537 HydrophobicContact CE2-CD2 3.82Å; Y507-L537 HydrophobicContact CE2-CG 4Å; Y507-L537 HydrophobicContact CG-CD2 3.93Å; Y507-L537 HydrophobicContact CG-CG 4.49Å; Y507-L541 HydrophobicContact CD1-CD1 3.72Å; Y507-L541 HydrophobicContact CG-CD1 4.24Å; Y507-P547 HydrophobicContact CD2-CG 3.77Å; Y507-P547 HydrophobicContact CG-CG 3.91Å; Y507-L548 HydrophobicContact CD2-CD2 3.98Å; Y507-L548 HydrophobicContact CD2-CG 4.27Å; Y507-L548 HydrophobicContact CE2-CD2 4.31Å |
| 508 | W | 94.5 | Very high | 93.6 | Very high | 9 Ų | 9 | 15.6 Ų | 15.6 | 3% | 0.034 | 8% | 0.079 | C | C | . | . | S | Bend | trans | -84.1 | 67.4 | -170 | -160.9 | -113.7 | 0 | 0 | 0 | 113.2 | S102 F103 G104 E108 P118 L119 T122 C150 L534 | S102-W508 PolarHBondContact O-NE1 3.15Å; F103-W508 AromaticContact CD1-CD1 3.93Å; F103-W508 AromaticContact CD1-CD2 3.94Å; F103-W508 HydrophobicContact CD1-CD2 3.94Å; F103-W508 AromaticContact CD1-CE2 3.85Å; F103-W508 HydrophobicContact CD1-CG 4Å; F103-W508 HydrophobicContact CD1-CZ2 4.38Å; F103-W508 AromaticContact CD1-NE1 3.84Å; F103-W508 HydrophobicContact CE1-CD2 4.03Å; F103-W508 HydrophobicContact CE1-CE3 4.19Å; F103-W508 HydrophobicContact CE1-CG 4.48Å; F103-W508 HydrophobicContact CE1-CH2 4.44Å; F103-W508 HydrophobicContact CE1-CZ2 4.32Å; F103-W508 HydrophobicContact CE1-CZ3 4.4Å; G104-W508 PolarHBondContact N-O 3.18Å; E108-W508 HydrophobicContact CB-CB 3.73Å; E108-W508 HydrophobicContact CB-CG 4.26Å; E108-W508 HydrophobicContact CG-CB 3.66Å; E108-W508 VanDerWaalsContact OE1-CB 3.3Å; E108-W508 WeakPolarHBondContact OE1-CB 3.48Å; E108-W508 PolarHBondContact OE1-N 2.69Å; P118-W508 HydrophobicContact CB-CB 4.35Å; P118-W508 HydrophobicContact CB-CD2 3.49Å; P118-W508 VanDerWaalsContact CB-CD2 3.49Å; P118-W508 HydrophobicContact CB-CE3 3.71Å; P118-W508 HydrophobicContact CB-CG 3.79Å; P118-W508 HydrophobicContact CB-CZ2 4.42Å; P118-W508 HydrophobicContact CB-CZ3 4.27Å; P118-W508 HydrophobicContact CG-CD2 4.49Å; P118-W508 HydrophobicContact CG-CE3 4.5Å; L119-W508 HydrophobicContact CB-CH2 3.49Å; L119-W508 VanDerWaalsContact CB-CH2 3.49Å; L119-W508 HydrophobicContact CB-CZ2 4.36Å; L119-W508 HydrophobicContact CB-CZ3 3.93Å; L119-W508 HydrophobicContact CD1-CH2 3.7Å; L119-W508 HydrophobicContact CD1-CZ2 4.43Å; L119-W508 HydrophobicContact CG-CH2 4.17Å; T122-W508 HydrophobicContact CG2-CZ2 4.48Å; C150-W508 HydrophobicContact CB-CH2 4.34Å; C150-W508 HydrophobicContact CB-CZ2 3.82Å; W508-L534 HydrophobicContact CE3-CD1 4.4Å |
| 509 | G | 95.7 | Very high | 94 | Very high | 1 Ų | 1 | 17.6 Ų | 17.6 | 1% | 0.01 | 10% | 0.095 | C | C | . | . | S | Bend | trans | -157.8 | 172.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y507 P511 T572 | Y507-G509 VanDerWaalsContact C-N 3.29Å; Y507-G509 PolarHBondContact O-N 3.47Å; G509-P511 VanDerWaalsContact O-CD 3.32Å; G509-P511 WeakPolarHBondContact O-CD 3.45Å; G509-T572 WeakPolarHBondContact O-CG2 3.43Å |
| 510 | T | 97.8 | Very high | 94 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.106 | C | C | . | . | P | Polyproline II helix | trans | -66.3 | 121.9 | 178.5 | -63.2 | 0 | 0 | 0 | 0 | 110.5 | F103 Y155 T158 Q159 I512 T572 L573 D578 | F103-T510 WeakPolarHBondContact CE2-OG1 3.34Å; Y155-T510 VanDerWaalsContact CB-OG1 3.32Å; Y155-T510 WeakPolarHBondContact CB-OG1 3.18Å; Y155-T510 HydrophobicContact CD2-CG2 4.13Å; Y155-T510 HydrophobicContact CG-CG2 4.3Å; T158-T510 HydrophobicContact CG2-CG2 4.03Å; Q159-T510 HydrophobicContact CG-CG2 3.63Å; T510-I512 PolarHBondContact O-N 2.73Å; T510-T572 CarbonylContact O-C 3.55Å; T510-T572 WeakPolarHBondContact O-CA 3.24Å; T510-L573 HydrophobicContact CG2-CD1 3.92Å; T510-L573 PolarHBondContact O-N 3.46Å; T510-D578 PolarHBondContact OG1-OD1 2.75Å; T510-D578 PolarHBondContact OG1-OD2 3.36Å |
| 511 | P | 98.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.124 | C | C | . | . | B | Isolated β-bridge | trans | -60.3 | 134.5 | 176.3 | -25.9 | 36.2 | 0 | 0 | 0 | 111.7 | Q159 G509 V532 L534 W554 | Q159-P511 WeakPolarHBondContact CG-O 3.28Å; Q159-P511 PolarHBondContact NE2-O 3.02Å; G509-P511 VanDerWaalsContact O-CD 3.32Å; G509-P511 WeakPolarHBondContact O-CD 3.45Å; P511-V532 HydrophobicContact CB-CB 4.32Å; P511-V532 HydrophobicContact CB-CG1 4.07Å; P511-V532 WeakPolarHBondContact CG-O 3.32Å; P511-L534 HydrophobicContact CG-CD2 3.73Å; P511-L534 HydrophobicContact CG-CG 3.84Å; P511-W554 HydrophobicContact CB-CH2 4.44Å; P511-W554 HydrophobicContact CB-CZ2 4.21Å; P511-W554 HydrophobicContact CG-CZ2 4.44Å |
| 512 | I | 98.5 | Very high | 93.8 | Very high | 3 Ų | 3 | 22 Ų | 22 | 2% | 0.015 | 13% | 0.134 | C | C | . | . | P | Polyproline II helix | trans | -70.5 | 124.6 | 176 | -64.6 | 175.1 | 0 | 0 | 0 | 108.7 | F162 W214 T510 I514 E569 D571 L573 | F162-I512 HydrophobicContact CD2-CG2 4.47Å; F162-I512 HydrophobicContact CE1-CG2 3.96Å; F162-I512 HydrophobicContact CE2-CG2 3.8Å; F162-I512 HydrophobicContact CZ-CG2 3.52Å; W214-I512 HydrophobicContact CB-CD1 4.39Å; W214-I512 HydrophobicContact CG-CD1 4.08Å; T510-I512 PolarHBondContact O-N 2.73Å; I512-I514 HydrophobicContact CG2-CB 4.21Å; I512-I514 HydrophobicContact CG2-CG1 3.9Å; I512-I514 PolarHBondContact O-N 3.48Å; I512-E569 HydrophobicContact CB-CB 4.13Å; I512-E569 HydrophobicContact CB-CG 3.64Å; I512-E569 HydrophobicContact CD1-CG 4.09Å; I512-E569 HydrophobicContact CG1-CG 4.37Å; I512-E569 HydrophobicContact CG2-CB 4.27Å; I512-E569 HydrophobicContact CG2-CG 3.88Å; I512-D571 HydrophobicContact CD1-CB 3.91Å; I512-D571 WeakPolarHBondContact CG1-O 3.47Å; I512-D571 PolarHBondContact N-O 3.33Å; I512-L573 HydrophobicContact CD1-CD2 4.15Å; I512-L573 HydrophobicContact CG1-CD2 3.67Å; I512-L573 HydrophobicContact CG1-CG 3.83Å |
| 513 | P | 98.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 14% | 0.137 | C | C | . | . | trans | -82.2 | 54.2 | -172.5 | 35.3 | -37.9 | 0 | 0 | 0 | 112.5 | Q159 F162 L163 V525 L530 V532 | Q159-P513 HydrophobicContact CB-CB 4.14Å; Q159-P513 HydrophobicContact CB-CG 3.92Å; Q159-P513 HydrophobicContact CG-CB 4.33Å; Q159-P513 HydrophobicContact CG-CG 4.24Å; F162-P513 HydrophobicContact CB-CG 4.25Å; F162-P513 HydrophobicContact CD1-CG 3.64Å; F162-P513 HydrophobicContact CE1-CG 4.37Å; F162-P513 HydrophobicContact CG-CG 4.18Å; L163-P513 HydrophobicContact CD2-CB 4.07Å; L163-P513 HydrophobicContact CD2-CG 3.71Å; L163-P513 HydrophobicContact CG-CB 4.34Å; L163-P513 HydrophobicContact CG-CG 3.89Å; P513-V525 HydrophobicContact CB-CB 4.16Å; P513-V525 HydrophobicContact CB-CG2 4.3Å; P513-V525 WeakPolarHBondContact O-CG2 3.46Å; P513-V525 PolarHBondContact O-N 2.99Å; P513-L530 HydrophobicContact CB-CD2 3.97Å; P513-V532 HydrophobicContact CB-CG2 4.46Å | ||
| 514 | I | 97.9 | Very high | 94.1 | Very high | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 143.8 | 177.3 | -64.8 | -74.5 | 0 | 0 | 0 | 110.2 | F162 Y166 W214 I512 A522 P524 E569 | F162-I514 HydrophobicContact CE1-CD1 3.93Å; F162-I514 HydrophobicContact CE1-CG1 3.63Å; F162-I514 HydrophobicContact CZ-CG1 4Å; Y166-I514 HydrophobicContact CD1-CD1 4.4Å; Y166-I514 HydrophobicContact CD2-CD1 4.18Å; Y166-I514 HydrophobicContact CE1-CD1 4.34Å; Y166-I514 HydrophobicContact CE2-CD1 4.11Å; Y166-I514 HydrophobicContact CG-CD1 4.32Å; W214-I514 HydrophobicContact CH2-CB 4.41Å; W214-I514 HydrophobicContact CH2-CD1 3.86Å; W214-I514 HydrophobicContact CH2-CG1 3.66Å; W214-I514 HydrophobicContact CH2-CG2 4.18Å; W214-I514 HydrophobicContact CZ2-CB 4.02Å; W214-I514 HydrophobicContact CZ2-CD1 4.35Å; W214-I514 HydrophobicContact CZ2-CG1 3.68Å; W214-I514 HydrophobicContact CZ2-CG2 3.8Å; W214-I514 HydrophobicContact CZ3-CG1 4.44Å; I512-I514 HydrophobicContact CG2-CB 4.21Å; I512-I514 HydrophobicContact CG2-CG1 3.9Å; I512-I514 PolarHBondContact O-N 3.48Å; I514-A522 HydrophobicContact CG2-CB 3.84Å; I514-P524 HydrophobicContact CD1-CB 4.48Å; I514-E569 HydrophobicContact CB-CB 4.2Å; I514-E569 PolarHBondContact O-N 3.01Å |
| 515 | I | 97.4 | Very high | 94.5 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 123.8 | 171.9 | -66.5 | 170.4 | 0 | 0 | 0 | 108.4 | V523 V525 T557 P560 A566 N567 | I515-V523 PolarHBondContact N-O 2.89Å; I515-V523 PolarHBondContact O-N 3.34Å; I515-V525 HydrophobicContact CD1-CG2 3.93Å; I515-V525 HydrophobicContact CG1-CG2 3.92Å; I515-T557 HydrophobicContact CD1-CG2 3.88Å; I515-T557 HydrophobicContact CG1-CG2 3.96Å; I515-T557 HydrophobicContact CG2-CG2 3.88Å; I515-P560 HydrophobicContact CD1-CG 4.23Å; I515-A566 HydrophobicContact CG2-CB 3.36Å; I515-N567 CarbonylContact C-O 3.54Å; I515-N567 WeakPolarHBondContact CA-O 3.47Å |
| 516 | H | 95.1 | Very high | 94.8 | Very high | 53 Ų | 53 | 25.1 Ų | 25.1 | 25% | 0.245 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 114.7 | 175.3 | -63.6 | -68.3 | 0 | 0 | 0 | 110.2 | A566 N567 E569 | H516-A566 WeakPolarHBondContact O-CA 3.43Å; H516-A566 WeakPolarHBondContact O-CB 3.49Å; H516-N567 PolarHBondContact N-O 3.27Å; H516-N567 PolarHBondContact O-N 2.82Å; H516-E569 IonicContact CD2-OE2 2.75Å; H516-E569 IonicContact CE1-OE2 3.26Å; H516-E569 IonicContact NE2-OE2 3.93Å; H516-E569 PolarHBondContact NE2-OE2 3.29Å |
| 517 | C | 93.4 | Very high | 95.1 | Very high | 4 Ų | 4 | 27.9 Ų | 27.9 | 3% | 0.027 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 130.4 | 177.1 | 175 | 0 | 0 | 0 | 0 | 110 | S519 C520 G521 C559 C562 A566 | C517-S519 PolarHBondContact O-N 2.99Å; C517-S519 VanDerWaalsContact O-N 3.15Å; C517-C520 HydrophobicContact CB-CB 3.99Å; C517-C520 PolarHBondContact O-N 2.93Å; C517-G521 PolarHBondContact N-O 3.41Å; C517-G521 WeakPolarHBondContact O-CA 3.46Å; C517-G521 PolarHBondContact O-N 3.27Å; C517-C559 HydrophobicContact CB-CB 3.91Å; C517-C562 VanDerWaalsContact SG-SG 3.62Å; C517-A566 HydrophobicContact CB-CB 4.16Å |
| 518 | D | 89.5 | Confident | 95.2 | Very high | 158 Ų | 158 | 33.9 Ų | 33.9 | 85% | 0.845 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -28.9 | -178.4 | -64.7 | -24 | 0 | 0 | 0 | 113.1 | ||
| 519 | S | 89.7 | Confident | 95.3 | Very high | 73 Ų | 73 | 38.3 Ų | 38.3 | 51% | 0.51 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -30.3 | 179.1 | -44.3 | 0 | 0 | 0 | 0 | 114 | C517 N564 | C517-S519 PolarHBondContact O-N 2.99Å; C517-S519 VanDerWaalsContact O-N 3.15Å; S519-N564 PolarHBondContact OG-ND2 2.79Å |
| 520 | C | 90.7 | Very high | 95.5 | Very high | 39 Ų | 39 | 38.9 Ų | 38.9 | 26% | 0.264 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.6 | -10.5 | -171.8 | -71.1 | 0 | 0 | 0 | 0 | 114 | C517 V523 K561 C562 | C517-C520 HydrophobicContact CB-CB 3.99Å; C517-C520 PolarHBondContact O-N 2.93Å; C520-V523 HydrophobicContact CB-CG2 3.68Å; C520-K561 HydrophobicContact CB-CD 4.27Å; C520-C562 VanDerWaalsContact SG-SG 3.69Å |
| 521 | G | 88.9 | Confident | 95.5 | Very high | 37 Ų | 37 | 40.7 Ų | 40.7 | 38% | 0.381 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 75.2 | -147.1 | -170.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | C517 | C517-G521 PolarHBondContact N-O 3.41Å; C517-G521 WeakPolarHBondContact O-CA 3.46Å; C517-G521 PolarHBondContact O-N 3.27Å |
| 522 | A | 92.4 | Very high | 95.5 | Very high | 32 Ų | 32 | 41.1 Ų | 41.1 | 26% | 0.264 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 122.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y166 W214 I514 | Y166-A522 PolarHBondContact OH-O 3.43Å; W214-A522 HydrophobicContact CH2-CB 4.31Å; I514-A522 HydrophobicContact CG2-CB 3.84Å |
| 523 | V | 95.6 | Very high | 95.5 | Very high | 12 Ų | 12 | 45.6 Ų | 45.6 | 7% | 0.073 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 128.9 | -178.6 | -174.5 | 0 | 0 | 0 | 0 | 109.3 | I515 C520 P560 K561 | I515-V523 PolarHBondContact N-O 2.89Å; I515-V523 PolarHBondContact O-N 3.34Å; C520-V523 HydrophobicContact CB-CG2 3.68Å; V523-P560 HydrophobicContact CG1-CG 3.65Å; V523-K561 HydrophobicContact CG1-CB 4.06Å; V523-K561 HydrophobicContact CG2-CB 4.48Å |
| 524 | P | 97.5 | Very high | 95.3 | Very high | 39 Ų | 39 | 46.9 Ų | 46.9 | 25% | 0.253 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 141.9 | 176.9 | 27.1 | -32.9 | 0 | 0 | 0 | 111.5 | L163 Y166 I514 | L163-P524 HydrophobicContact CD2-CB 3.55Å; Y166-P524 HydrophobicContact CD1-CB 4.29Å; Y166-P524 HydrophobicContact CD1-CG 4.37Å; Y166-P524 HydrophobicContact CE1-CB 4.42Å; Y166-P524 HydrophobicContact CE1-CG 4.17Å; I514-P524 HydrophobicContact CD1-CB 4.48Å |
| 525 | V | 98.4 | Very high | 95.2 | Very high | 3 Ų | 3 | 47.6 Ų | 47.6 | 2% | 0.018 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 133.4 | 167.5 | 175.6 | 0 | 0 | 0 | 0 | 108.5 | L163 P513 I515 Q529 L530 V532 | L163-V525 VanDerWaalsContact CD1-O 3.22Å; L163-V525 WeakPolarHBondContact CD1-O 3.17Å; P513-V525 HydrophobicContact CB-CB 4.16Å; P513-V525 HydrophobicContact CB-CG2 4.3Å; P513-V525 WeakPolarHBondContact O-CG2 3.46Å; P513-V525 PolarHBondContact O-N 2.99Å; I515-V525 HydrophobicContact CD1-CG2 3.93Å; I515-V525 HydrophobicContact CG1-CG2 3.92Å; V525-Q529 HydrophobicContact CG1-CB 3.89Å; V525-L530 HydrophobicContact CB-CD2 4.47Å; V525-L530 HydrophobicContact CG1-CD2 4.11Å; V525-V532 HydrophobicContact CB-CG2 4.37Å; V525-V532 HydrophobicContact CG1-CG2 4.02Å; V525-V532 HydrophobicContact CG2-CG2 3.97Å |
| 526 | P | 97.9 | Very high | 95 | Very high | 36 Ų | 36 | 52.9 Ų | 52.9 | 23% | 0.234 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -55.6 | 141.6 | 174.9 | -27.9 | 37.1 | 0 | 0 | 0 | 112.6 | D528 Q529 P560 | P526-D528 VanDerWaalsContact C-N 3.25Å; P526-D528 WeakPolarHBondContact CB-OD1 3.11Å; P526-D528 PolarHBondContact O-N 3.28Å; P526-Q529 HydrophobicContact CB-CB 4.48Å; P526-Q529 HydrophobicContact CB-CG 4.12Å; P526-Q529 HydrophobicContact CG-CG 4.45Å; P526-Q529 WeakPolarHBondContact O-CB 3.39Å; P526-Q529 PolarHBondContact O-N 3.2Å; P526-P560 HydrophobicContact CG-CB 3.78Å; P526-P560 HydrophobicContact CG-CG 4.4Å |
| 527 | E | 96.7 | Very high | 94.7 | Very high | 72 Ų | 72 | 51.9 Ų | 51.9 | 34% | 0.336 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -62.4 | -30.8 | -174.6 | -77.3 | 176.6 | -135.9 | 0 | 0 | 113.3 | W160 L163 K164 Q167 Q529 L530 | W160-E527 PolarHBondContact NE1-OE2 2.97Å; W160-E527 VanDerWaalsContact NE1-OE2 3.11Å; L163-E527 HydrophobicContact CD1-CG 3.89Å; K164-E527 IonicContact NZ-OE1 3.57Å; K164-E527 PolarHBondContact NZ-OE1 3.21Å; K164-E527 IonicContact NZ-OE2 2.68Å; K164-E527 PolarHBondContact NZ-OE2 3.38Å; Q167-E527 PolarHBondContact NE2-OE1 2.97Å; E527-Q529 PolarHBondContact O-N 3.04Å; E527-L530 WeakPolarHBondContact O-CB 3.43Å; E527-L530 PolarHBondContact O-N 3.14Å |
| 528 | D | 95.9 | Very high | 94.2 | Very high | 139 Ų | 139 | 60.5 Ų | 60.5 | 74% | 0.743 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -72.9 | -14.5 | 175.5 | 63.9 | -37.4 | 0 | 0 | 0 | 113.5 | P526 | P526-D528 VanDerWaalsContact C-N 3.25Å; P526-D528 WeakPolarHBondContact CB-OD1 3.11Å; P526-D528 PolarHBondContact O-N 3.28Å |
| 529 | Q | 96.7 | Very high | 93.9 | Very high | 102 Ų | 102 | 57.1 Ų | 57.1 | 48% | 0.477 | 34% | 0.336 | S | S | . | . | G | 310 helix | trans | -95.3 | 2.7 | 174.7 | -62.6 | -178.1 | 10.7 | 0 | 0 | 113.1 | V525 P526 E527 | V525-Q529 HydrophobicContact CG1-CB 3.89Å; P526-Q529 HydrophobicContact CB-CB 4.48Å; P526-Q529 HydrophobicContact CB-CG 4.12Å; P526-Q529 HydrophobicContact CG-CG 4.45Å; P526-Q529 WeakPolarHBondContact O-CB 3.39Å; P526-Q529 PolarHBondContact O-N 3.2Å; E527-Q529 PolarHBondContact O-N 3.04Å |
| 530 | L | 98 | Very high | 93.7 | Very high | 12 Ų | 12 | 56.1 Ų | 56.1 | 6% | 0.063 | 33% | 0.328 | C | S | . | . | trans | -79.7 | 144.1 | 173.9 | -61.1 | -177 | 0 | 0 | 0 | 111.5 | K156 Q159 W160 L163 P513 V525 E527 V532 | K156-L530 WeakPolarHBondContact CE-O 3.39Å; K156-L530 HydrophobicContact CG-CB 3.87Å; Q159-L530 HydrophobicContact CB-CD1 4.14Å; Q159-L530 HydrophobicContact CB-CD2 3.95Å; W160-L530 HydrophobicContact CB-CD1 4.05Å; L163-L530 HydrophobicContact CD1-CD1 3.86Å; L163-L530 HydrophobicContact CD1-CD2 4.43Å; L163-L530 HydrophobicContact CD1-CG 4.42Å; P513-L530 HydrophobicContact CB-CD2 3.97Å; V525-L530 HydrophobicContact CB-CD2 4.47Å; V525-L530 HydrophobicContact CG1-CD2 4.11Å; E527-L530 WeakPolarHBondContact O-CB 3.43Å; E527-L530 PolarHBondContact O-N 3.14Å; L530-V532 HydrophobicContact CD2-CG2 4.39Å | ||
| 531 | P | 98.3 | Very high | 93.6 | Very high | 39 Ų | 39 | 54.7 Ų | 54.7 | 25% | 0.253 | 32% | 0.318 | S | S | . | . | cis | -83.6 | 148.9 | 3.8 | 30 | -32.1 | 0 | 0 | 0 | 114.2 | P152 Y155 K156 L533 | P152-P531 HydrophobicContact CB-CG 4.05Å; Y155-P531 HydrophobicContact CD2-CB 4.22Å; Y155-P531 HydrophobicContact CE2-CB 3.73Å; K156-P531 HydrophobicContact CB-CB 3.9Å; K156-P531 HydrophobicContact CB-CG 4.27Å; K156-P531 HydrophobicContact CG-CB 4.32Å; P531-L533 HydrophobicContact CB-CD2 4.42Å; P531-L533 HydrophobicContact CG-CD2 3.8Å; P531-L533 HydrophobicContact CG-CG 4.45Å; P531-L533 PolarHBondContact O-N 2.95Å | ||
| 532 | V | 98.4 | Very high | 93.6 | Very high | 9 Ų | 9 | 59.8 Ų | 59.8 | 6% | 0.055 | 33% | 0.33 | C | S | . | . | trans | -73.2 | 106.5 | 158.7 | -177 | 0 | 0 | 0 | 0 | 107.4 | Q159 P511 P513 V525 L530 W554 | Q159-V532 PolarHBondContact NE2-O 3.4Å; P511-V532 HydrophobicContact CB-CB 4.32Å; P511-V532 HydrophobicContact CB-CG1 4.07Å; P511-V532 WeakPolarHBondContact CG-O 3.32Å; P513-V532 HydrophobicContact CB-CG2 4.46Å; V525-V532 HydrophobicContact CB-CG2 4.37Å; V525-V532 HydrophobicContact CG1-CG2 4.02Å; V525-V532 HydrophobicContact CG2-CG2 3.97Å; L530-V532 HydrophobicContact CD2-CG2 4.39Å; V532-W554 HydrophobicContact CG1-CZ2 3.81Å | ||
| 533 | L | 97.8 | Very high | 93.2 | Very high | 96 Ų | 96 | 61.6 Ų | 61.6 | 50% | 0.503 | 33% | 0.33 | S | S | . | . | P | Polyproline II helix | trans | -75.4 | 143.8 | -176.9 | -63.5 | 173.6 | 0 | 0 | 0 | 111.9 | P152 Y155 P531 W554 | P152-L533 HydrophobicContact CB-CD2 3.71Å; P152-L533 HydrophobicContact CG-CD2 3.81Å; Y155-L533 VanDerWaalsContact OH-CD2 3.31Å; Y155-L533 WeakPolarHBondContact OH-CD2 3.43Å; P531-L533 HydrophobicContact CB-CD2 4.42Å; P531-L533 HydrophobicContact CG-CD2 3.8Å; P531-L533 HydrophobicContact CG-CG 4.45Å; P531-L533 PolarHBondContact O-N 2.95Å; L533-W554 PolarHBondContact O-NE1 2.96Å |
| 534 | L | 95.8 | Very high | 92.6 | Very high | 28 Ų | 28 | 62.1 Ų | 62.1 | 15% | 0.147 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -65.9 | 133.6 | 164.8 | -78.2 | 171.3 | 0 | 0 | 0 | 110.1 | F103 Y507 W508 P511 L548 | F103-L534 HydrophobicContact CE1-CD1 3.7Å; F103-L534 HydrophobicContact CZ-CD1 3.79Å; Y507-L534 HydrophobicContact CD2-CD2 4.23Å; Y507-L534 HydrophobicContact CE2-CB 4.37Å; Y507-L534 HydrophobicContact CE2-CD2 4.07Å; Y507-L534 VanDerWaalsContact O-CD2 3.3Å; Y507-L534 WeakPolarHBondContact O-CD2 3.47Å; W508-L534 HydrophobicContact CE3-CD1 4.4Å; P511-L534 HydrophobicContact CG-CD2 3.73Å; P511-L534 HydrophobicContact CG-CG 3.84Å; L534-L548 HydrophobicContact CD2-CD1 4.05Å; L534-L548 HydrophobicContact CD2-CD2 4.11Å |
| 535 | P | 95 | Very high | 92.1 | Very high | 15 Ų | 15 | 63.1 Ų | 63.1 | 10% | 0.097 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -72 | 150.6 | 173.5 | 31.9 | -32 | 0 | 0 | 0 | 110.1 | Y507 L548 W554 | Y507-P535 WeakPolarHBondContact CE2-O 3.42Å; Y507-P535 PolarHBondContact OH-O 3.41Å; P535-L548 VanDerWaalsContact CD-CD2 3.42Å; P535-L548 HydrophobicContact CG-CD2 3.54Å; P535-W554 HydrophobicContact CB-CB 4.08Å; P535-W554 HydrophobicContact CB-CG 3.92Å; P535-W554 HydrophobicContact CG-CB 4.08Å; P535-W554 HydrophobicContact CG-CD2 4.07Å; P535-W554 HydrophobicContact CG-CG 3.71Å |
| 536 | P | 92.7 | Very high | 91.6 | Very high | 113 Ų | 113 | 65.6 Ų | 65.6 | 73% | 0.734 | 35% | 0.352 | S | S | * | . | P | Polyproline II helix | trans | -61.1 | 146.7 | 173.3 | 27.1 | -33.8 | 0 | 0 | 0 | 111.4 | ||
| 537 | L | 90.4 | Very high | 91.3 | Very high | 32 Ų | 32 | 65.4 Ų | 65.4 | 17% | 0.168 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -78.3 | 129.6 | 173.8 | -71.2 | 167.6 | 0 | 0 | 0 | 110.7 | P118 Y507 L541 P547 | P118-L537 HydrophobicContact CG-CD1 4.5Å; Y507-L537 HydrophobicContact CD1-CD1 3.86Å; Y507-L537 HydrophobicContact CD1-CD2 3.98Å; Y507-L537 HydrophobicContact CD1-CG 4.09Å; Y507-L537 HydrophobicContact CD2-CD2 3.85Å; Y507-L537 HydrophobicContact CD2-CG 4.45Å; Y507-L537 HydrophobicContact CE1-CD1 3.47Å; Y507-L537 VanDerWaalsContact CE1-CD1 3.47Å; Y507-L537 HydrophobicContact CE1-CD2 3.95Å; Y507-L537 HydrophobicContact CE1-CG 3.59Å; Y507-L537 HydrophobicContact CE2-CD2 3.82Å; Y507-L537 HydrophobicContact CE2-CG 4Å; Y507-L537 HydrophobicContact CG-CD2 3.93Å; Y507-L537 HydrophobicContact CG-CG 4.49Å; L537-L541 HydrophobicContact CD1-CD1 3.54Å; L537-L541 HydrophobicContact CD1-CG 3.82Å; L537-L541 HydrophobicContact CD2-CD1 4.18Å; L537-L541 HydrophobicContact CD2-CD2 3.99Å; L537-L541 HydrophobicContact CD2-CG 4Å; L537-P547 HydrophobicContact CD2-CB 4.16Å; L537-P547 HydrophobicContact CD2-CG 4.03Å |
| 538 | E | 80.9 | Confident | 91.2 | Very high | 184 Ų | 184 | 62.2 Ų | 62.2 | 86% | 0.86 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -80.1 | -25.4 | 175.1 | -63.5 | -179.4 | -178.4 | 0 | 0 | 112.8 | ||
| 539 | S | 83.7 | Confident | 91 | Very high | 88 Ų | 88 | 58.4 Ų | 58.4 | 62% | 0.615 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -138.5 | 167.9 | -178.9 | 63.5 | 0 | 0 | 0 | 0 | 111.8 | ||
| 540 | S | 85.5 | Confident | 90.8 | Very high | 51 Ų | 51 | 60.2 Ų | 60.2 | 36% | 0.357 | 32% | 0.321 | S | S | . | . | trans | -65.2 | 145.6 | 169.5 | 55.1 | 0 | 0 | 0 | 0 | 110.9 | N115 | N115-S540 WeakPolarHBondContact OD1-CB 3.49Å; N115-S540 PolarHBondContact OD1-OG 3.43Å | ||
| 541 | L | 89.7 | Confident | 90.6 | Very high | 9 Ų | 9 | 60.9 Ų | 60.9 | 5% | 0.047 | 33% | 0.325 | C | S | . | . | trans | -83.3 | 144.6 | 179.4 | -78.8 | 166.3 | 0 | 0 | 0 | 111.4 | E108 I112 P118 Y507 L537 D545 P547 | E108-L541 HydrophobicContact CG-CD1 4.39Å; I112-L541 HydrophobicContact CD1-CB 4.3Å; I112-L541 HydrophobicContact CG1-CB 3.85Å; P118-L541 HydrophobicContact CG-CD1 3.69Å; Y507-L541 HydrophobicContact CD1-CD1 3.72Å; Y507-L541 HydrophobicContact CG-CD1 4.24Å; L537-L541 HydrophobicContact CD1-CD1 3.54Å; L537-L541 HydrophobicContact CD1-CG 3.82Å; L537-L541 HydrophobicContact CD2-CD1 4.18Å; L537-L541 HydrophobicContact CD2-CD2 3.99Å; L537-L541 HydrophobicContact CD2-CG 4Å; L541-D545 HydrophobicContact CD2-CB 3.85Å; L541-P547 HydrophobicContact CD2-CG 3.95Å | ||
| 542 | K | 88.5 | Confident | 90.4 | Very high | 145 Ų | 145 | 63.8 Ų | 63.8 | 63% | 0.63 | 34% | 0.335 | S | S | * | . | trans | -114.3 | 163.8 | 165.9 | -59.5 | 176.5 | -175.6 | 174.7 | 0 | 109.8 | G544 D545 | K542-G544 PolarHBondContact O-N 3.47Å; K542-D545 PolarHBondContact N-OD2 3.12Å; K542-D545 WeakPolarHBondContact O-CB 3.38Å; K542-D545 PolarHBondContact O-N 3.28Å | ||
| 543 | R | 84.1 | Confident | 90.3 | Very high | 69 Ų | 69 | 68.5 Ų | 68.5 | 26% | 0.26 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | 125.2 | 176.4 | -68.2 | 175.1 | 177 | -108 | 4 | 109.1 | I112 D113 D184 Q185 | I112-R543 HydrophobicContact CD1-CG 4.45Å; I112-R543 HydrophobicContact CG2-CG 3.99Å; D113-R543 IonicContact OD1-CZ 2.81Å; D113-R543 IonicContact OD1-NE 3.84Å; D113-R543 PolarHBondContact OD1-NE 2.97Å; D113-R543 IonicContact OD1-NH2 3.73Å; D113-R543 PolarHBondContact OD1-NH2 2.86Å; D113-R543 IonicContact OD2-NH2 3.8Å; D113-R543 PolarHBondContact OD2-NH2 3.35Å; D184-R543 IonicContact OD1-NH1 3.17Å; D184-R543 PolarHBondContact OD1-NH1 3.13Å; Q185-R543 PolarHBondContact OE1-O 3.15Å |
| 544 | G | 83.2 | Confident | 90.2 | Very high | 23 Ų | 23 | 65.5 Ų | 65.5 | 24% | 0.237 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 91.7 | -4.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | Q185 K542 E546 | Q185-G544 VanDerWaalsContact OE1-CA 3.23Å; K542-G544 PolarHBondContact O-N 3.47Å; G544-E546 PolarHBondContact O-N 2.86Å |
| 545 | D | 86.6 | Confident | 90.2 | Very high | 61 Ų | 61 | 66.9 Ų | 66.9 | 33% | 0.326 | 35% | 0.354 | S | S | . | . | trans | -63.4 | 130.4 | 175.6 | -73 | -7.3 | 0 | 0 | 0 | 110.6 | L541 K542 P547 | L541-D545 HydrophobicContact CD2-CB 3.85Å; K542-D545 PolarHBondContact N-OD2 3.12Å; K542-D545 WeakPolarHBondContact O-CB 3.38Å; K542-D545 PolarHBondContact O-N 3.28Å; D545-P547 WeakPolarHBondContact O-CD 3.31Å | ||
| 546 | E | 88.6 | Confident | 90.4 | Very high | 54 Ų | 54 | 71.4 Ų | 71.4 | 25% | 0.252 | 37% | 0.372 | S | S | . | . | trans | -109.6 | 62.5 | 175.1 | -61.7 | -175.2 | 102 | 0 | 0 | 110.8 | G544 L548 K549 H550 | G544-E546 PolarHBondContact O-N 2.86Å; E546-L548 VanDerWaalsContact C-N 3.25Å; E546-L548 PolarHBondContact O-N 3.46Å; E546-L548 VanDerWaalsContact O-N 3.14Å; E546-K549 HydrophobicContact CB-CB 3.98Å; E546-K549 HydrophobicContact CB-CD 4.18Å; E546-K549 VanDerWaalsContact O-CB 3.29Å; E546-K549 WeakPolarHBondContact O-CB 3.45Å; E546-K549 PolarHBondContact O-N 2.79Å; E546-K549 IonicContact OE1-NZ 2.6Å; E546-K549 VanDerWaalsContact OE2-CD 3.28Å; E546-K549 WeakPolarHBondContact OE2-CD 3.48Å; E546-K549 IonicContact OE2-NZ 3.84Å; E546-K549 PolarHBondContact OE2-NZ 3.24Å; E546-H550 PolarHBondContact O-CD2 3.35Å; E546-H550 VanDerWaalsContact O-CD2 3.28Å; E546-H550 PolarHBondContact O-N 3Å | ||
| 547 | P | 91.4 | Very high | 90.6 | Very high | 33 Ų | 33 | 67.5 Ų | 67.5 | 21% | 0.214 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.7 | -30.3 | -169.8 | 29.1 | -39.7 | 0 | 0 | 0 | 113.4 | Y507 L537 L541 D545 K549 H550 N551 | Y507-P547 HydrophobicContact CD2-CG 3.77Å; Y507-P547 HydrophobicContact CG-CG 3.91Å; L537-P547 HydrophobicContact CD2-CB 4.16Å; L537-P547 HydrophobicContact CD2-CG 4.03Å; L541-P547 HydrophobicContact CD2-CG 3.95Å; D545-P547 WeakPolarHBondContact O-CD 3.31Å; P547-K549 VanDerWaalsContact C-N 3.27Å; P547-K549 PolarHBondContact O-N 2.91Å; P547-H550 PolarHBondContact O-N 3.29Å; P547-N551 VanDerWaalsContact O-CB 3.26Å; P547-N551 WeakPolarHBondContact O-CB 3.31Å; P547-N551 PolarHBondContact O-N 2.85Å |
| 548 | L | 94.3 | Very high | 90.9 | Very high | 4 Ų | 4 | 70.3 Ų | 70.3 | 2% | 0.021 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -64.3 | -33.2 | 177.3 | -60.5 | -177.4 | 0 | 0 | 0 | 112.2 | Y507 L534 P535 E546 W554 T570 T572 | Y507-L548 HydrophobicContact CD2-CD2 3.98Å; Y507-L548 HydrophobicContact CD2-CG 4.27Å; Y507-L548 HydrophobicContact CE2-CD2 4.31Å; L534-L548 HydrophobicContact CD2-CD1 4.05Å; L534-L548 HydrophobicContact CD2-CD2 4.11Å; P535-L548 VanDerWaalsContact CD-CD2 3.42Å; P535-L548 HydrophobicContact CG-CD2 3.54Å; E546-L548 VanDerWaalsContact C-N 3.25Å; E546-L548 PolarHBondContact O-N 3.46Å; E546-L548 VanDerWaalsContact O-N 3.14Å; L548-W554 HydrophobicContact CB-CE3 4.38Å; L548-W554 HydrophobicContact CB-CZ3 4Å; L548-W554 HydrophobicContact CD1-CH2 4.29Å; L548-W554 HydrophobicContact CD1-CZ3 4.44Å; L548-W554 HydrophobicContact CD2-CD2 4.45Å; L548-W554 HydrophobicContact CD2-CE3 4.2Å; L548-W554 HydrophobicContact CD2-CH2 4.34Å; L548-W554 HydrophobicContact CD2-CZ3 4.16Å; L548-W554 HydrophobicContact CG-CZ3 4.42Å; L548-T570 HydrophobicContact CB-CG2 4.47Å; L548-T570 WeakPolarHBondContact CD1-O 3.46Å; L548-T572 HydrophobicContact CD1-CG2 3.81Å |
| 549 | K | 92.1 | Very high | 91.7 | Very high | 60 Ų | 60 | 61.6 Ų | 61.6 | 26% | 0.261 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -69.3 | -38.5 | 177.6 | -171.3 | 177.3 | -178.4 | 172.5 | 0 | 111.8 | H280 E546 P547 R555 | H280-K549 PolarHBondContact NE2-NZ 2.99Å; E546-K549 HydrophobicContact CB-CB 3.98Å; E546-K549 HydrophobicContact CB-CD 4.18Å; E546-K549 VanDerWaalsContact O-CB 3.29Å; E546-K549 WeakPolarHBondContact O-CB 3.45Å; E546-K549 PolarHBondContact O-N 2.79Å; E546-K549 IonicContact OE1-NZ 2.6Å; E546-K549 VanDerWaalsContact OE2-CD 3.28Å; E546-K549 WeakPolarHBondContact OE2-CD 3.48Å; E546-K549 IonicContact OE2-NZ 3.84Å; E546-K549 PolarHBondContact OE2-NZ 3.24Å; P547-K549 VanDerWaalsContact C-N 3.27Å; P547-K549 PolarHBondContact O-N 2.91Å; K549-R555 WeakPolarHBondContact O-CD 3.42Å; K549-R555 PolarHBondContact O-NE 3.49Å |
| 550 | H | 91.5 | Very high | 92.3 | Very high | 139 Ų | 139 | 60.1 Ų | 60.1 | 64% | 0.644 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -88.5 | -19.6 | -177.7 | -60.7 | -62.2 | 0 | 0 | 0 | 113.7 | E546 P547 E552 | E546-H550 PolarHBondContact O-CD2 3.35Å; E546-H550 VanDerWaalsContact O-CD2 3.28Å; E546-H550 PolarHBondContact O-N 3Å; P547-H550 PolarHBondContact O-N 3.29Å; H550-E552 PolarHBondContact O-N 3.3Å |
| 551 | N | 93.8 | Very high | 92.8 | Very high | 27 Ų | 27 | 65.1 Ų | 65.1 | 14% | 0.144 | 33% | 0.327 | C | S | . | . | trans | -76.7 | 86.8 | 175.5 | -169.7 | -32.2 | 0 | 0 | 0 | 111.1 | P547 S553 W554 R555 | P547-N551 VanDerWaalsContact O-CB 3.26Å; P547-N551 WeakPolarHBondContact O-CB 3.31Å; P547-N551 PolarHBondContact O-N 2.85Å; N551-S553 VanDerWaalsContact C-N 3.28Å; N551-S553 PolarHBondContact O-N 2.85Å; N551-S553 PolarHBondContact OD1-N 3.43Å; N551-S553 PolarHBondContact OD1-OG 2.93Å; N551-W554 HydrophobicContact CB-CB 4.41Å; N551-W554 PolarHBondContact O-N 2.82Å; N551-W554 PolarHBondContact OD1-N 3.25Å; N551-W554 VanDerWaalsContact OD1-N 3.1Å; N551-R555 VanDerWaalsContact O-CB 3.22Å; N551-R555 WeakPolarHBondContact O-CB 3.41Å; N551-R555 PolarHBondContact O-N 3.24Å | ||
| 552 | E | 95.1 | Very high | 93.1 | Very high | 99 Ų | 99 | 67.2 Ų | 67.2 | 46% | 0.463 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.6 | -35.4 | -179 | -64 | -150.3 | 135.5 | 0 | 0 | 113.7 | H550 W554 R555 K556 | H550-E552 PolarHBondContact O-N 3.3Å; E552-W554 VanDerWaalsContact C-N 3.29Å; E552-W554 PolarHBondContact O-N 3.21Å; E552-R555 PolarHBondContact O-N 2.83Å; E552-R555 IonicContact OE1-NH2 2.95Å; E552-R555 PolarHBondContact OE1-NH2 3.34Å; E552-K556 HydrophobicContact CB-CD 4.38Å; E552-K556 WeakPolarHBondContact O-CB 3.43Å; E552-K556 WeakPolarHBondContact O-CG 3.42Å; E552-K556 PolarHBondContact O-N 2.83Å; E552-K556 IonicContact OE1-NZ 2.87Å; E552-K556 PolarHBondContact OE1-NZ 3.48Å; E552-K556 VanDerWaalsContact OE1-NZ 3.16Å; E552-K556 IonicContact OE2-NZ 3.36Å; E552-K556 PolarHBondContact OE2-NZ 3.2Å |
| 553 | S | 94.9 | Very high | 93.5 | Very high | 108 Ų | 108 | 62.7 Ų | 62.7 | 76% | 0.755 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -64.7 | -34.5 | -177.3 | 73.9 | 0 | 0 | 0 | 0 | 112.6 | N551 | N551-S553 VanDerWaalsContact C-N 3.28Å; N551-S553 PolarHBondContact O-N 2.85Å; N551-S553 PolarHBondContact OD1-N 3.43Å; N551-S553 PolarHBondContact OD1-OG 2.93Å |
| 554 | W | 96.4 | Very high | 94.1 | Very high | 33 Ų | 33 | 63 Ų | 63 | 13% | 0.125 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -85.8 | -41 | 175.8 | -179.4 | 88.9 | 0 | 0 | 0 | 111.9 | P511 V532 L533 P535 L548 N551 E552 R568 T570 | P511-W554 HydrophobicContact CB-CH2 4.44Å; P511-W554 HydrophobicContact CB-CZ2 4.21Å; P511-W554 HydrophobicContact CG-CZ2 4.44Å; V532-W554 HydrophobicContact CG1-CZ2 3.81Å; L533-W554 PolarHBondContact O-NE1 2.96Å; P535-W554 HydrophobicContact CB-CB 4.08Å; P535-W554 HydrophobicContact CB-CG 3.92Å; P535-W554 HydrophobicContact CG-CB 4.08Å; P535-W554 HydrophobicContact CG-CD2 4.07Å; P535-W554 HydrophobicContact CG-CG 3.71Å; L548-W554 HydrophobicContact CB-CE3 4.38Å; L548-W554 HydrophobicContact CB-CZ3 4Å; L548-W554 HydrophobicContact CD1-CH2 4.29Å; L548-W554 HydrophobicContact CD1-CZ3 4.44Å; L548-W554 HydrophobicContact CD2-CD2 4.45Å; L548-W554 HydrophobicContact CD2-CE3 4.2Å; L548-W554 HydrophobicContact CD2-CH2 4.34Å; L548-W554 HydrophobicContact CD2-CZ3 4.16Å; L548-W554 HydrophobicContact CG-CZ3 4.42Å; N551-W554 HydrophobicContact CB-CB 4.41Å; N551-W554 PolarHBondContact O-N 2.82Å; N551-W554 PolarHBondContact OD1-N 3.25Å; N551-W554 VanDerWaalsContact OD1-N 3.1Å; E552-W554 VanDerWaalsContact C-N 3.29Å; E552-W554 PolarHBondContact O-N 3.21Å; W554-R568 HydrophobicContact CH2-CB 4.28Å; W554-R568 HydrophobicContact CZ3-CB 4.13Å; W554-R568 WeakPolarHBondContact O-CD 3.36Å; W554-R568 PolarHBondContact O-NE 2.89Å; W554-T570 HydrophobicContact CZ3-CG2 4.5Å |
| 555 | R | 96.9 | Very high | 94.8 | Very high | 58 Ų | 58 | 67.1 Ų | 67.1 | 22% | 0.219 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -67.5 | -45 | -175.8 | -178.6 | 176.5 | 65.4 | 100 | -1 | 112.5 | K549 N551 E552 N567 R568 T570 | K549-R555 WeakPolarHBondContact O-CD 3.42Å; K549-R555 PolarHBondContact O-NE 3.49Å; N551-R555 VanDerWaalsContact O-CB 3.22Å; N551-R555 WeakPolarHBondContact O-CB 3.41Å; N551-R555 PolarHBondContact O-N 3.24Å; E552-R555 PolarHBondContact O-N 2.83Å; E552-R555 IonicContact OE1-NH2 2.95Å; E552-R555 PolarHBondContact OE1-NH2 3.34Å; R555-N567 HydrophobicContact CG-CB 4.19Å; R555-N567 PolarHBondContact NH1-OD1 3.22Å; R555-N567 CarbonylContact O-C 3.6Å; R555-N567 WeakPolarHBondContact O-CA 3.22Å; R555-R568 PolarHBondContact O-N 3.25Å; R555-T570 HydrophobicContact CG-CG2 4.01Å |
| 556 | K | 97.2 | Very high | 95.3 | Very high | 109 Ų | 109 | 64.5 Ų | 64.5 | 47% | 0.474 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 128.9 | -178.2 | -69.4 | 176.9 | 177.4 | 165.1 | 0 | 109.8 | E552 | E552-K556 HydrophobicContact CB-CD 4.38Å; E552-K556 WeakPolarHBondContact O-CB 3.43Å; E552-K556 WeakPolarHBondContact O-CG 3.42Å; E552-K556 PolarHBondContact O-N 2.83Å; E552-K556 IonicContact OE1-NZ 2.87Å; E552-K556 PolarHBondContact OE1-NZ 3.48Å; E552-K556 VanDerWaalsContact OE1-NZ 3.16Å; E552-K556 IonicContact OE2-NZ 3.36Å; E552-K556 PolarHBondContact OE2-NZ 3.2Å |
| 557 | T | 97.5 | Very high | 95.7 | Very high | 32 Ų | 32 | 64.1 Ų | 64.1 | 20% | 0.196 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | -179.2 | 179.2 | -170.6 | 0 | 0 | 0 | 0 | 109.8 | I515 A566 R568 | I515-T557 HydrophobicContact CD1-CG2 3.88Å; I515-T557 HydrophobicContact CG1-CG2 3.96Å; I515-T557 HydrophobicContact CG2-CG2 3.88Å; T557-A566 PolarHBondContact N-O 3.45Å; T557-A566 CarbonylContact O-C 3.58Å; T557-A566 PolarHBondContact O-N 2.97Å; T557-R568 HydrophobicContact CG2-CG 3.76Å; T557-R568 PolarHBondContact OG1-NH2 2.59Å |
| 558 | T | 97.8 | Very high | 96 | Very high | 90 Ų | 90 | 65.2 Ų | 65.2 | 55% | 0.552 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 145.5 | 171.1 | 52.2 | 0 | 0 | 0 | 0 | 111.3 | ||
| 559 | C | 97.4 | Very high | 96.1 | Very high | 2 Ų | 2 | 65.5 Ų | 65.5 | 1% | 0.014 | 35% | 0.354 | C | S | . | . | trans | -66.7 | 124.3 | 173.4 | 178.7 | 0 | 0 | 0 | 0 | 110 | C517 K561 G563 N564 A566 | C517-C559 HydrophobicContact CB-CB 3.91Å; C559-K561 PolarHBondContact O-N 2.96Å; C559-K561 PolarHBondContact SG-N 3.26Å; C559-K561 VanDerWaalsContact SG-N 3.45Å; C559-G563 VanDerWaalsContact O-CA 3.27Å; C559-G563 WeakPolarHBondContact O-CA 3.32Å; C559-G563 PolarHBondContact O-N 3.21Å; C559-N564 WeakPolarHBondContact CB-O 3.41Å; C559-N564 PolarHBondContact N-O 3.13Å; C559-A566 HydrophobicContact CB-CB 4.04Å | ||
| 560 | P | 96.7 | Very high | 96.3 | Very high | 56 Ų | 56 | 64 Ų | 64 | 36% | 0.364 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -14.2 | -179.7 | 28.9 | -34.1 | 0 | 0 | 0 | 112.9 | I515 V523 P526 | I515-P560 HydrophobicContact CD1-CG 4.23Å; V523-P560 HydrophobicContact CG1-CG 3.65Å; P526-P560 HydrophobicContact CG-CB 3.78Å; P526-P560 HydrophobicContact CG-CG 4.4Å |
| 561 | K | 95.3 | Very high | 96.5 | Very high | 156 Ų | 156 | 58 Ų | 58 | 68% | 0.678 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | -42 | 179.2 | -173.7 | 176.9 | 177.7 | -176.3 | 0 | 113.5 | C520 V523 C559 | C520-K561 HydrophobicContact CB-CD 4.27Å; V523-K561 HydrophobicContact CG1-CB 4.06Å; V523-K561 HydrophobicContact CG2-CB 4.48Å; C559-K561 PolarHBondContact O-N 2.96Å; C559-K561 PolarHBondContact SG-N 3.26Å; C559-K561 VanDerWaalsContact SG-N 3.45Å |
| 562 | C | 96.7 | Very high | 96.6 | Very high | 54 Ų | 54 | 56.8 Ų | 56.8 | 37% | 0.365 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.4 | -6.4 | -174.5 | 68 | 0 | 0 | 0 | 0 | 115.1 | C517 C520 N564 | C517-C562 VanDerWaalsContact SG-SG 3.62Å; C520-C562 VanDerWaalsContact SG-SG 3.69Å; C562-N564 PolarHBondContact O-N 3.27Å |
| 563 | G | 96.5 | Very high | 96.7 | Very high | 49 Ų | 49 | 52.2 Ų | 52.2 | 51% | 0.505 | 29% | 0.294 | S | S | . | . | trans | 79.5 | -13.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | C559 | C559-G563 VanDerWaalsContact O-CA 3.27Å; C559-G563 WeakPolarHBondContact O-CA 3.32Å; C559-G563 PolarHBondContact O-N 3.21Å | ||
| 564 | N | 96.8 | Very high | 96.6 | Very high | 75 Ų | 75 | 47.4 Ų | 47.4 | 40% | 0.401 | 26% | 0.26 | S | S | . | . | trans | -62.1 | 156.4 | -179.8 | -70.2 | -13.8 | 0 | 0 | 0 | 112.7 | S519 C559 C562 A566 | S519-N564 PolarHBondContact OG-ND2 2.79Å; C559-N564 WeakPolarHBondContact CB-O 3.41Å; C559-N564 PolarHBondContact N-O 3.13Å; C562-N564 PolarHBondContact O-N 3.27Å; N564-A566 PolarHBondContact O-N 3.5Å | ||
| 565 | P | 97.7 | Very high | 96.4 | Very high | 111 Ų | 111 | 46.4 Ų | 46.4 | 72% | 0.721 | 26% | 0.258 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -52 | 137.4 | 169.4 | -25.4 | 34.7 | 0 | 0 | 0 | 111.8 | ||
| 566 | A | 96.7 | Very high | 96.2 | Very high | 5 Ų | 5 | 44 Ų | 44 | 4% | 0.041 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 172.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | I515 H516 C517 T557 C559 N564 | I515-A566 HydrophobicContact CG2-CB 3.36Å; H516-A566 WeakPolarHBondContact O-CA 3.43Å; H516-A566 WeakPolarHBondContact O-CB 3.49Å; C517-A566 HydrophobicContact CB-CB 4.16Å; T557-A566 PolarHBondContact N-O 3.45Å; T557-A566 CarbonylContact O-C 3.58Å; T557-A566 PolarHBondContact O-N 2.97Å; C559-A566 HydrophobicContact CB-CB 4.04Å; N564-A566 PolarHBondContact O-N 3.5Å |
| 567 | N | 97.3 | Very high | 96.2 | Very high | 47 Ų | 47 | 38.9 Ų | 38.9 | 25% | 0.251 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 136.2 | 179.8 | -62.2 | -85.7 | 0 | 0 | 0 | 110.4 | I515 H516 R555 | I515-N567 CarbonylContact C-O 3.54Å; I515-N567 WeakPolarHBondContact CA-O 3.47Å; H516-N567 PolarHBondContact N-O 3.27Å; H516-N567 PolarHBondContact O-N 2.82Å; R555-N567 HydrophobicContact CG-CB 4.19Å; R555-N567 PolarHBondContact NH1-OD1 3.22Å; R555-N567 CarbonylContact O-C 3.6Å; R555-N567 WeakPolarHBondContact O-CA 3.22Å |
| 568 | R | 98 | Very high | 96.2 | Very high | 55 Ų | 55 | 37.3 Ų | 37.3 | 21% | 0.208 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 149.3 | 168.4 | -62.3 | -173.9 | -176.3 | -80.3 | -4.4 | 110.1 | W554 R555 T557 T570 | W554-R568 HydrophobicContact CH2-CB 4.28Å; W554-R568 HydrophobicContact CZ3-CB 4.13Å; W554-R568 WeakPolarHBondContact O-CD 3.36Å; W554-R568 PolarHBondContact O-NE 2.89Å; R555-R568 PolarHBondContact O-N 3.25Å; T557-R568 HydrophobicContact CG2-CG 3.76Å; T557-R568 PolarHBondContact OG1-NH2 2.59Å; R568-T570 PolarHBondContact O-N 3.31Å |
| 569 | E | 96.8 | Very high | 96.2 | Very high | 11 Ų | 11 | 33.2 Ų | 33.2 | 5% | 0.051 | 19% | 0.192 | C | C | . | . | trans | -58.9 | 133.6 | 163.7 | -178.7 | 56.7 | -91 | 0 | 0 | 109.4 | W214 I512 I514 H516 D571 | W214-E569 PolarHBondContact NE1-OE2 3.14Å; I512-E569 HydrophobicContact CB-CB 4.13Å; I512-E569 HydrophobicContact CB-CG 3.64Å; I512-E569 HydrophobicContact CD1-CG 4.09Å; I512-E569 HydrophobicContact CG1-CG 4.37Å; I512-E569 HydrophobicContact CG2-CB 4.27Å; I512-E569 HydrophobicContact CG2-CG 3.88Å; I514-E569 HydrophobicContact CB-CB 4.2Å; I514-E569 PolarHBondContact O-N 3.01Å; H516-E569 IonicContact CD2-OE2 2.75Å; H516-E569 IonicContact CE1-OE2 3.26Å; H516-E569 IonicContact NE2-OE2 3.93Å; H516-E569 PolarHBondContact NE2-OE2 3.29Å; E569-D571 HydrophobicContact CG-CB 4.23Å; E569-D571 PolarHBondContact OE1-N 3.37Å; E569-D571 VanDerWaalsContact OE1-N 3.15Å | ||
| 570 | T | 96.4 | Very high | 96.2 | Very high | 29 Ų | 29 | 33.1 Ų | 33.1 | 18% | 0.178 | 19% | 0.191 | C | C | . | . | trans | -103.1 | -16.1 | -175.8 | 55.5 | 0 | 0 | 0 | 0 | 112 | L548 W554 R555 R568 | L548-T570 HydrophobicContact CB-CG2 4.47Å; L548-T570 WeakPolarHBondContact CD1-O 3.46Å; W554-T570 HydrophobicContact CZ3-CG2 4.5Å; R555-T570 HydrophobicContact CG-CG2 4.01Å; R568-T570 PolarHBondContact O-N 3.31Å | ||
| 571 | D | 95.2 | Very high | 96.3 | Very high | 12 Ų | 12 | 30.4 Ų | 30.4 | 6% | 0.064 | 17% | 0.174 | C | C | . | . | trans | -68.7 | 146.2 | 167.8 | -76.1 | -12.3 | 0 | 0 | 0 | 110.8 | Q213 S503 R504 Q505 I512 E569 | Q213-D571 PolarHBondContact NE2-OD2 3.29Å; S503-D571 WeakPolarHBondContact CB-OD2 3.38Å; R504-D571 WeakPolarHBondContact O-CA 3.43Å; Q505-D571 VanDerWaalsContact NE2-CG 3.25Å; Q505-D571 PolarHBondContact NE2-OD1 3.32Å; Q505-D571 PolarHBondContact NE2-OD2 3.16Å; I512-D571 HydrophobicContact CD1-CB 3.91Å; I512-D571 WeakPolarHBondContact CG1-O 3.47Å; I512-D571 PolarHBondContact N-O 3.33Å; E569-D571 HydrophobicContact CG-CB 4.23Å; E569-D571 PolarHBondContact OE1-N 3.37Å; E569-D571 VanDerWaalsContact OE1-N 3.15Å | ||
| 572 | T | 96.3 | Very high | 96.4 | Very high | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.006 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 164.2 | 171.6 | 52.7 | 0 | 0 | 0 | 0 | 111 | S503 R504 R506 G509 T510 L548 | S503-T572 CarbonylContact C-O 3.45Å; S503-T572 WeakPolarHBondContact CA-O 3.2Å; R504-T572 PolarHBondContact N-O 3.44Å; R504-T572 PolarHBondContact O-N 3.22Å; R504-T572 PolarHBondContact O-OG1 2.86Å; R506-T572 WeakPolarHBondContact O-CG2 3.39Å; R506-T572 PolarHBondContact O-OG1 3.49Å; G509-T572 WeakPolarHBondContact O-CG2 3.43Å; T510-T572 CarbonylContact O-C 3.55Å; T510-T572 WeakPolarHBondContact O-CA 3.24Å; L548-T572 HydrophobicContact CD1-CG2 3.81Å |
| 573 | L | 96.1 | Very high | 96.5 | Very high | 3 Ų | 3 | 20.5 Ų | 20.5 | 2% | 0.016 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 146.5 | 176.9 | -66.3 | 173.2 | 0 | 0 | 0 | 111.8 | T158 F162 I502 T510 I512 V577 | T158-L573 HydrophobicContact CG2-CD1 3.71Å; F162-L573 HydrophobicContact CD2-CD2 3.81Å; F162-L573 HydrophobicContact CE2-CD2 4.21Å; I502-L573 HydrophobicContact CB-CD2 4.3Å; I502-L573 HydrophobicContact CD1-CD2 3.48Å; I502-L573 VanDerWaalsContact CD1-CD2 3.48Å; I502-L573 HydrophobicContact CG1-CD2 4.39Å; I502-L573 CarbonylContact O-C 3.54Å; I502-L573 WeakPolarHBondContact O-CA 3.33Å; T510-L573 HydrophobicContact CG2-CD1 3.92Å; T510-L573 PolarHBondContact O-N 3.46Å; I512-L573 HydrophobicContact CD1-CD2 4.15Å; I512-L573 HydrophobicContact CG1-CD2 3.67Å; I512-L573 HydrophobicContact CG1-CG 3.83Å; L573-V577 HydrophobicContact CB-CB 4.47Å; L573-V577 HydrophobicContact CB-CG2 4.3Å; L573-V577 HydrophobicContact CD1-CG1 4.35Å |
| 574 | D | 92.4 | Very high | 96.5 | Very high | 7 Ų | 7 | 18.1 Ų | 18.1 | 4% | 0.037 | 10% | 0.101 | C | C | . | . | trans | -54.8 | 138.1 | 167.3 | -172.9 | 15.5 | 0 | 0 | 0 | 111.1 | W500 I502 R504 F576 V577 | W500-D574 PolarHBondContact NE1-OD2 3.33Å; W500-D574 VanDerWaalsContact NE1-OD2 3.12Å; I502-D574 PolarHBondContact O-N 3.09Å; R504-D574 HydrophobicContact CG-CB 4.38Å; R504-D574 IonicContact CZ-OD1 2.7Å; R504-D574 IonicContact CZ-OD2 3.13Å; R504-D574 IonicContact NE-OD1 2.77Å; R504-D574 IonicContact NH2-OD1 3.49Å; R504-D574 PolarHBondContact NH2-OD1 3.34Å; R504-D574 IonicContact NH2-OD2 3.16Å; R504-D574 PolarHBondContact NH2-OD2 3.37Å; D574-F576 PolarHBondContact O-N 3.05Å; D574-F576 VanDerWaalsContact O-N 3.09Å; D574-V577 HydrophobicContact CB-CG2 4.32Å; D574-V577 WeakPolarHBondContact O-CB 3.36Å; D574-V577 WeakPolarHBondContact O-CG2 3.38Å; D574-V577 PolarHBondContact O-N 3.38Å | ||
| 575 | T | 92.4 | Very high | 96.6 | Very high | 12 Ų | 12 | 14.6 Ų | 14.6 | 7% | 0.074 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -59.5 | -25.7 | -179.8 | -161 | 0 | 0 | 0 | 0 | 112.5 | D101 F103 V577 D578 S579 | D101-T575 PolarHBondContact OD1-OG1 3.15Å; F103-T575 PolarHBondContact O-OG1 3.17Å; T575-V577 PolarHBondContact O-N 2.93Å; T575-D578 PolarHBondContact O-N 3.21Å; T575-S579 PolarHBondContact O-N 3Å; T575-S579 PolarHBondContact O-OG 3.27Å |
| 576 | F | 93.9 | Very high | 96.5 | Very high | 9 Ų | 9 | 9.3 Ų | 9.3 | 4% | 0.039 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -64.9 | -23.5 | 174.6 | -75.9 | -69.1 | 0 | 0 | 0 | 113.1 | L192 W500 D574 S579 S580 R619 H620 Y623 | L192-F576 HydrophobicContact CD1-CE2 4.39Å; L192-F576 HydrophobicContact CD2-CE2 3.79Å; L192-F576 HydrophobicContact CD2-CZ 4.3Å; L192-F576 HydrophobicContact CG-CE2 4.43Å; W500-F576 HydrophobicContact CH2-CB 4.09Å; W500-F576 HydrophobicContact CZ2-CB 3.49Å; W500-F576 VanDerWaalsContact CZ2-CB 3.49Å; D574-F576 PolarHBondContact O-N 3.05Å; D574-F576 VanDerWaalsContact O-N 3.09Å; F576-S579 WeakPolarHBondContact CA-OG 3.23Å; F576-S579 PolarHBondContact O-OG 3Å; F576-S580 WeakPolarHBondContact O-CB 3.19Å; F576-S580 PolarHBondContact O-N 3.01Å; F576-S580 PolarHBondContact O-OG 3.44Å; F576-R619 HydrophobicContact CE1-CB 4.17Å; F576-R619 HydrophobicContact CZ-CB 4.27Å; F576-H620 HydrophobicContact CD1-CB 4.18Å; F576-H620 HydrophobicContact CE1-CB 4.09Å; F576-Y623 HydrophobicContact CB-CD2 3.7Å; F576-Y623 HydrophobicContact CB-CE2 3.96Å; F576-Y623 HydrophobicContact CD1-CD2 4.04Å; F576-Y623 HydrophobicContact CD1-CE2 4.33Å; F576-Y623 HydrophobicContact CD2-CE2 4.2Å; F576-Y623 AromaticContact CG-CD2 3.87Å; F576-Y623 HydrophobicContact CG-CD2 3.87Å; F576-Y623 AromaticContact CG-CE2 3.9Å; F576-Y623 HydrophobicContact CG-CE2 3.9Å |
| 577 | V | 96.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -66.2 | -45.2 | 174.9 | -171.7 | 0 | 0 | 0 | 0 | 109.7 | T158 F216 W500 I502 L573 D574 T575 S579 S580 | T158-V577 HydrophobicContact CG2-CB 4.33Å; T158-V577 HydrophobicContact CG2-CG1 3.7Å; F216-V577 HydrophobicContact CE2-CG1 3.89Å; F216-V577 HydrophobicContact CE2-CG2 3.93Å; F216-V577 HydrophobicContact CZ-CG1 4.29Å; W500-V577 HydrophobicContact CH2-CB 4.26Å; W500-V577 HydrophobicContact CH2-CG2 3.72Å; W500-V577 HydrophobicContact CZ2-CB 4.43Å; W500-V577 HydrophobicContact CZ2-CG2 3.57Å; I502-V577 HydrophobicContact CB-CG2 4.36Å; I502-V577 HydrophobicContact CG2-CG2 3.92Å; L573-V577 HydrophobicContact CB-CB 4.47Å; L573-V577 HydrophobicContact CB-CG2 4.3Å; L573-V577 HydrophobicContact CD1-CG1 4.35Å; D574-V577 HydrophobicContact CB-CG2 4.32Å; D574-V577 WeakPolarHBondContact O-CB 3.36Å; D574-V577 WeakPolarHBondContact O-CG2 3.38Å; D574-V577 PolarHBondContact O-N 3.38Å; T575-V577 PolarHBondContact O-N 2.93Å; V577-S579 PolarHBondContact O-N 3.19Å; V577-S580 PolarHBondContact O-N 3.23Å |
| 578 | D | 97.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 7.8 Ų | 7.8 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -63.4 | -43.2 | 178.2 | -65.7 | -54.7 | 0 | 0 | 0 | 111.7 | T149 Y154 T158 T510 T575 S580 | T149-D578 HydrophobicContact CG2-CB 3.86Å; Y154-D578 HydrophobicContact CE1-CB 4.07Å; Y154-D578 PolarHBondContact OH-O 3.05Å; T158-D578 WeakPolarHBondContact CB-OD1 3.28Å; T158-D578 VanDerWaalsContact CG2-OD1 3.23Å; T158-D578 WeakPolarHBondContact CG2-OD1 3.3Å; T158-D578 PolarHBondContact OG1-OD1 3.05Å; T510-D578 PolarHBondContact OG1-OD1 2.75Å; T510-D578 PolarHBondContact OG1-OD2 3.36Å; T575-D578 PolarHBondContact O-N 3.21Å; D578-S580 VanDerWaalsContact C-N 3.28Å; D578-S580 PolarHBondContact O-N 2.93Å |
| 579 | S | 97 | Very high | 96.2 | Very high | 3 Ų | 3 | 6.1 Ų | 6.1 | 2% | 0.021 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -76.6 | -6.8 | 178.3 | 52.2 | 0 | 0 | 0 | 0 | 114.5 | T575 F576 V577 W581 Y582 H620 | T575-S579 PolarHBondContact O-N 3Å; T575-S579 PolarHBondContact O-OG 3.27Å; F576-S579 WeakPolarHBondContact CA-OG 3.23Å; F576-S579 PolarHBondContact O-OG 3Å; V577-S579 PolarHBondContact O-N 3.19Å; S579-W581 VanDerWaalsContact C-N 3.3Å; S579-W581 PolarHBondContact O-N 3.41Å; S579-Y582 WeakPolarHBondContact O-CD1 3.3Å; S579-Y582 WeakPolarHBondContact O-CE1 3.41Å; S579-H620 PolarHBondContact O-CE1 3.19Å; S579-H620 PolarHBondContact O-ND1 3.11Å |
| 580 | S | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 6% | 0.064 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -6 | -179.3 | -69.4 | 0 | 0 | 0 | 0 | 115.2 | F576 V577 D578 Y583 Y623 A624 | F576-S580 WeakPolarHBondContact O-CB 3.19Å; F576-S580 PolarHBondContact O-N 3.01Å; F576-S580 PolarHBondContact O-OG 3.44Å; V577-S580 PolarHBondContact O-N 3.23Å; D578-S580 VanDerWaalsContact C-N 3.28Å; D578-S580 PolarHBondContact O-N 2.93Å; S580-Y583 VanDerWaalsContact O-CE1 3.27Å; S580-Y583 WeakPolarHBondContact O-CE1 3.41Å; S580-Y623 WeakPolarHBondContact OG-CB 3.31Å; S580-A624 WeakPolarHBondContact O-CA 3.37Å |
| 581 | W | 98.2 | Very high | 96 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 6% | 0.062 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -143.6 | -0.4 | -176.5 | 66.6 | -85.3 | 0 | 0 | 0 | 115 | Y154 W157 T158 L161 S579 Y583 L584 R585 I595 I627 | Y154-W581 HydrophobicContact CD1-CH2 4.31Å; Y154-W581 AromaticContact CD1-CZ2 3.85Å; Y154-W581 HydrophobicContact CD1-CZ2 3.85Å; Y154-W581 HydrophobicContact CD2-CH2 4.08Å; Y154-W581 HydrophobicContact CD2-CZ2 4.37Å; Y154-W581 AromaticContact CE1-CE2 3.87Å; Y154-W581 HydrophobicContact CE1-CH2 4.01Å; Y154-W581 AromaticContact CE1-CZ2 3.33Å; Y154-W581 HydrophobicContact CE1-CZ2 3.33Å; Y154-W581 AromaticContact CE2-CH2 3.76Å; Y154-W581 HydrophobicContact CE2-CH2 3.76Å; Y154-W581 AromaticContact CE2-CZ2 3.92Å; Y154-W581 HydrophobicContact CE2-CZ2 3.92Å; Y154-W581 HydrophobicContact CE2-CZ3 4.33Å; Y154-W581 HydrophobicContact CG-CH2 4.33Å; Y154-W581 HydrophobicContact CG-CZ2 4.34Å; Y154-W581 AromaticContact CZ-CE2 3.74Å; Y154-W581 AromaticContact CZ-CH2 3.72Å; Y154-W581 AromaticContact CZ-CZ2 3.37Å; W157-W581 HydrophobicContact CB-CH2 3.43Å; W157-W581 VanDerWaalsContact CB-CH2 3.43Å; W157-W581 HydrophobicContact CB-CZ2 3.87Å; W157-W581 HydrophobicContact CB-CZ3 4.04Å; W157-W581 HydrophobicContact CG-CH2 4.28Å; T158-W581 WeakPolarHBondContact OG1-CZ2 3.01Å; T158-W581 PolarHBondContact OG1-NE1 3.32Å; L161-W581 HydrophobicContact CD2-CG 4.33Å; S579-W581 VanDerWaalsContact C-N 3.3Å; S579-W581 PolarHBondContact O-N 3.41Å; W581-Y583 PolarHBondContact O-N 3.04Å; W581-L584 VanDerWaalsContact O-CB 3.28Å; W581-L584 WeakPolarHBondContact O-CB 3.39Å; W581-L584 PolarHBondContact O-N 3.45Å; W581-R585 HydrophobicContact CE3-CB 4.07Å; W581-R585 HydrophobicContact CH2-CB 4.19Å; W581-R585 HydrophobicContact CH2-CG 4.16Å; W581-R585 HydrophobicContact CZ3-CB 3.51Å; W581-R585 HydrophobicContact CZ3-CG 3.86Å; W581-I595 HydrophobicContact CD2-CD1 4.01Å; W581-I595 HydrophobicContact CE3-CD1 3.53Å; W581-I595 HydrophobicContact CE3-CG1 3.62Å; W581-I595 HydrophobicContact CH2-CD1 4.48Å; W581-I595 HydrophobicContact CH2-CG1 4.23Å; W581-I595 HydrophobicContact CZ3-CD1 3.76Å; W581-I595 HydrophobicContact CZ3-CG1 3.4Å; W581-I627 HydrophobicContact CB-CG2 4.04Å |
| 582 | Y | 98.4 | Very high | 95.9 | Very high | 1 Ų | 1 | 16.2 Ų | 16.2 | 0% | 0.004 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -54 | -31.1 | -177.4 | 79 | -66 | 0 | 0 | 0 | 114.9 | L59 F62 Y154 S579 L584 R585 Y586 Y610 H620 | L59-Y582 HydrophobicContact CD1-CE2 4.31Å; L59-Y582 HydrophobicContact CD2-CE2 4.35Å; F62-Y582 HydrophobicContact CB-CE2 4.14Å; F62-Y582 HydrophobicContact CD1-CD2 4.13Å; F62-Y582 AromaticContact CD1-CE2 3.79Å; F62-Y582 HydrophobicContact CD1-CE2 3.79Å; F62-Y582 AromaticContact CD2-CD2 3.55Å; F62-Y582 HydrophobicContact CD2-CD2 3.55Å; F62-Y582 AromaticContact CD2-CE2 3.87Å; F62-Y582 HydrophobicContact CD2-CE2 3.87Å; F62-Y582 HydrophobicContact CD2-CG 4.31Å; F62-Y582 HydrophobicContact CE1-CD1 4.45Å; F62-Y582 HydrophobicContact CE1-CD2 4.18Å; F62-Y582 HydrophobicContact CE1-CE1 4.43Å; F62-Y582 HydrophobicContact CE1-CE2 4.16Å; F62-Y582 HydrophobicContact CE1-CG 4.31Å; F62-Y582 AromaticContact CE2-CD2 3.6Å; F62-Y582 HydrophobicContact CE2-CD2 3.6Å; F62-Y582 HydrophobicContact CE2-CE2 4.23Å; F62-Y582 AromaticContact CE2-CG 3.88Å; F62-Y582 HydrophobicContact CE2-CG 3.88Å; F62-Y582 AromaticContact CG-CD2 3.86Å; F62-Y582 HydrophobicContact CG-CD2 3.86Å; F62-Y582 AromaticContact CG-CE2 3.66Å; F62-Y582 HydrophobicContact CG-CE2 3.66Å; F62-Y582 HydrophobicContact CZ-CD1 4.35Å; F62-Y582 AromaticContact CZ-CD2 3.94Å; F62-Y582 HydrophobicContact CZ-CD2 3.94Å; F62-Y582 HydrophobicContact CZ-CE2 4.38Å; F62-Y582 AromaticContact CZ-CG 3.91Å; F62-Y582 HydrophobicContact CZ-CG 3.91Å; Y154-Y582 VanDerWaalsContact OH-CA 3.24Å; Y154-Y582 WeakPolarHBondContact OH-CA 3.44Å; Y154-Y582 WeakPolarHBondContact OH-CB 3.41Å; Y154-Y582 PolarHBondContact OH-N 3.46Å; S579-Y582 WeakPolarHBondContact O-CD1 3.3Å; S579-Y582 WeakPolarHBondContact O-CE1 3.41Å; Y582-L584 PolarHBondContact O-N 3.03Å; Y582-R585 PolarHBondContact O-N 3.3Å; Y582-Y586 HydrophobicContact CD2-CD2 4.1Å; Y582-Y586 AromaticContact CD2-CE2 3.25Å; Y582-Y586 HydrophobicContact CD2-CE2 3.25Å; Y582-Y586 AromaticContact CD2-CZ 3.78Å; Y582-Y586 HydrophobicContact CE2-CD2 4.47Å; Y582-Y586 AromaticContact CE2-CE2 3.51Å; Y582-Y586 HydrophobicContact CE2-CE2 3.51Å; Y582-Y586 HydrophobicContact CG-CE2 4.35Å; Y582-Y586 WeakPolarHBondContact O-CD2 3.43Å; Y582-Y586 PolarHBondContact O-N 2.81Å; Y582-Y586 VanDerWaalsContact O-N 3.09Å; Y582-Y610 WeakPolarHBondContact OH-CE2 3.26Å; Y582-Y610 VanDerWaalsContact OH-CZ 3.32Å; Y582-Y610 PolarHBondContact OH-OH 2.88Å; Y582-H620 AromaticContact CE1-CE1 3.87Å |
| 583 | Y | 98.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -57.8 | -34.6 | 175.1 | 58.8 | -95.5 | 0 | 0 | 0 | 112.4 | S580 W581 L605 A624 A628 P642 F643 | S580-Y583 VanDerWaalsContact O-CE1 3.27Å; S580-Y583 WeakPolarHBondContact O-CE1 3.41Å; W581-Y583 PolarHBondContact O-N 3.04Å; Y583-L605 HydrophobicContact CD2-CD2 4.05Å; Y583-A624 HydrophobicContact CE1-CB 4.24Å; Y583-A628 WeakPolarHBondContact OH-CB 3.49Å; Y583-P642 HydrophobicContact CD2-CB 4.18Å; Y583-P642 HydrophobicContact CE1-CB 3.96Å; Y583-P642 HydrophobicContact CE1-CG 4.47Å; Y583-P642 HydrophobicContact CE2-CB 3.52Å; Y583-F643 AromaticContact CD1-CE1 3.62Å; Y583-F643 HydrophobicContact CD1-CE1 3.62Å; Y583-F643 AromaticContact CD1-CZ 3.86Å; Y583-F643 HydrophobicContact CD1-CZ 3.86Å; Y583-F643 HydrophobicContact CE1-CE1 4.11Å; Y583-F643 HydrophobicContact CE1-CZ 4.03Å; Y583-F643 AromaticContact CG-CE1 3.91Å; Y583-F643 HydrophobicContact CG-CE1 3.91Å |
| 584 | L | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -71.5 | -40.4 | 175.3 | 176.6 | 63.4 | 0 | 0 | 0 | 110.6 | W581 Y582 Y586 L587 I595 C596 A601 L605 L631 V636 I637 | W581-L584 VanDerWaalsContact O-CB 3.28Å; W581-L584 WeakPolarHBondContact O-CB 3.39Å; W581-L584 PolarHBondContact O-N 3.45Å; Y582-L584 PolarHBondContact O-N 3.03Å; L584-Y586 VanDerWaalsContact C-N 3.32Å; L584-Y586 PolarHBondContact O-N 3.36Å; L584-L587 WeakPolarHBondContact O-CB 3.33Å; L584-L587 PolarHBondContact O-N 2.77Å; L584-I595 HydrophobicContact CD2-CD1 4.39Å; L584-I595 HydrophobicContact CD2-CG1 4.28Å; L584-I595 HydrophobicContact CD2-CG2 4.29Å; L584-C596 HydrophobicContact CD1-CB 3.56Å; L584-C596 HydrophobicContact CD2-CB 4.18Å; L584-C596 HydrophobicContact CG-CB 3.58Å; L584-C596 PolarHBondContact O-SG 3.06Å; L584-A601 HydrophobicContact CD1-CB 3.86Å; L584-L605 HydrophobicContact CD1-CD1 3.85Å; L584-L631 HydrophobicContact CD2-CD1 4Å; L584-V636 HydrophobicContact CD2-CG1 4.13Å; L584-I637 HydrophobicContact CD1-CG2 3.8Å; L584-I637 HydrophobicContact CD2-CG2 3.81Å; L584-I637 HydrophobicContact CG-CG2 4.4Å |
| 585 | R | 97.7 | Very high | 96.1 | Very high | 1 Ų | 1 | 23.2 Ų | 23.2 | 0% | 0.004 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -68.7 | -30.8 | -176.4 | -167.1 | 52.7 | -177.4 | -178 | 2.8 | 112.9 | L147 Y154 W581 Y582 L587 D588 P589 N591 S594 I595 | L147-R585 HydrophobicContact CD1-CB 3.62Å; L147-R585 HydrophobicContact CD1-CG 3.64Å; L147-R585 HydrophobicContact CD2-CG 3.85Å; L147-R585 HydrophobicContact CG-CG 4.43Å; Y154-R585 HydrophobicContact CD2-CG 3.95Å; Y154-R585 HydrophobicContact CE2-CB 3.99Å; Y154-R585 HydrophobicContact CE2-CG 3.94Å; W581-R585 HydrophobicContact CE3-CB 4.07Å; W581-R585 HydrophobicContact CH2-CB 4.19Å; W581-R585 HydrophobicContact CH2-CG 4.16Å; W581-R585 HydrophobicContact CZ3-CB 3.51Å; W581-R585 HydrophobicContact CZ3-CG 3.86Å; Y582-R585 PolarHBondContact O-N 3.3Å; R585-L587 PolarHBondContact O-N 3.49Å; R585-L587 VanDerWaalsContact O-N 3.15Å; R585-D588 PolarHBondContact NH1-O 3.25Å; R585-D588 CarbonylContact O-C 3.46Å; R585-D588 VanDerWaalsContact O-C 3.26Å; R585-D588 PolarHBondContact O-N 3.25Å; R585-P589 PolarHBondContact NE-O 3.38Å; R585-P589 PolarHBondContact NH2-O 3.42Å; R585-P589 WeakPolarHBondContact O-CA 3.17Å; R585-P589 VanDerWaalsContact O-N 3.1Å; R585-N591 VanDerWaalsContact CZ-O 3.28Å; R585-N591 PolarHBondContact NH1-O 3.22Å; R585-N591 PolarHBondContact NH2-O 2.87Å; R585-S594 PolarHBondContact NH1-O 3.35Å; R585-I595 WeakPolarHBondContact CD-O 3.47Å; R585-I595 PolarHBondContact NH1-O 3.31Å |
| 586 | Y | 97 | Very high | 96.2 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -27.7 | 173.9 | -75.3 | -48.7 | 0 | 0 | 0 | 113.2 | L59 P97 M98 G99 R145 L147 Y582 L584 D588 | L59-Y586 HydrophobicContact CD1-CD2 3.86Å; L59-Y586 HydrophobicContact CD1-CE2 3.6Å; P97-Y586 HydrophobicContact CB-CD1 3.56Å; P97-Y586 HydrophobicContact CB-CD2 4.08Å; P97-Y586 HydrophobicContact CB-CE1 3.94Å; P97-Y586 HydrophobicContact CB-CE2 4.41Å; P97-Y586 HydrophobicContact CB-CG 3.66Å; P97-Y586 HydrophobicContact CG-CD1 3.96Å; P97-Y586 HydrophobicContact CG-CD2 3.51Å; P97-Y586 HydrophobicContact CG-CE1 4.37Å; P97-Y586 HydrophobicContact CG-CE2 3.96Å; P97-Y586 HydrophobicContact CG-CG 3.52Å; M98-Y586 VanDerWaalsContact C-OH 3.28Å; M98-Y586 WeakPolarHBondContact O-CE1 3.37Å; G99-Y586 WeakPolarHBondContact CA-OH 3.37Å; G99-Y586 PolarHBondContact N-OH 2.94Å; R145-Y586 HydrophobicContact CB-CD1 4.28Å; R145-Y586 VanDerWaalsContact CD-O 3.23Å; R145-Y586 WeakPolarHBondContact CD-O 3.09Å; R145-Y586 WeakPolarHBondContact CG-O 3.46Å; R145-Y586 PolarHBondContact NH1-O 3.31Å; R145-Y586 WeakPolarHBondContact O-CD1 3.17Å; R145-Y586 WeakPolarHBondContact O-CE1 3.25Å; L147-Y586 HydrophobicContact CB-CE1 4.1Å; L147-Y586 HydrophobicContact CD1-CD1 3.43Å; L147-Y586 VanDerWaalsContact CD1-CD1 3.43Å; L147-Y586 HydrophobicContact CD1-CE1 3.6Å; L147-Y586 HydrophobicContact CD1-CG 4.03Å; L147-Y586 HydrophobicContact CG-CD1 3.84Å; L147-Y586 HydrophobicContact CG-CE1 3.81Å; Y582-Y586 HydrophobicContact CD2-CD2 4.1Å; Y582-Y586 AromaticContact CD2-CE2 3.25Å; Y582-Y586 HydrophobicContact CD2-CE2 3.25Å; Y582-Y586 AromaticContact CD2-CZ 3.78Å; Y582-Y586 HydrophobicContact CE2-CD2 4.47Å; Y582-Y586 AromaticContact CE2-CE2 3.51Å; Y582-Y586 HydrophobicContact CE2-CE2 3.51Å; Y582-Y586 HydrophobicContact CG-CE2 4.35Å; Y582-Y586 WeakPolarHBondContact O-CD2 3.43Å; Y582-Y586 PolarHBondContact O-N 2.81Å; Y582-Y586 VanDerWaalsContact O-N 3.09Å; L584-Y586 VanDerWaalsContact C-N 3.32Å; L584-Y586 PolarHBondContact O-N 3.36Å; Y586-D588 VanDerWaalsContact C-N 3.28Å; Y586-D588 PolarHBondContact O-N 3.47Å |
| 587 | L | 94.9 | Very high | 96.3 | Very high | 7 Ų | 7 | 25.2 Ų | 25.2 | 4% | 0.037 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -28.3 | 179.1 | -59 | -179.2 | 0 | 0 | 0 | 112.2 | F57 I95 R145 L584 R585 L605 | F57-L587 HydrophobicContact CD1-CD2 3.97Å; F57-L587 HydrophobicContact CE1-CD1 4.5Å; F57-L587 HydrophobicContact CE1-CD2 3.55Å; F57-L587 HydrophobicContact CE1-CG 4.07Å; F57-L587 HydrophobicContact CZ-CD2 4.18Å; I95-L587 HydrophobicContact CD1-CD2 4Å; R145-L587 PolarHBondContact NH1-O 2.94Å; L584-L587 WeakPolarHBondContact O-CB 3.33Å; L584-L587 PolarHBondContact O-N 2.77Å; R585-L587 PolarHBondContact O-N 3.49Å; R585-L587 VanDerWaalsContact O-N 3.15Å; L587-L605 HydrophobicContact CD1-CD2 4.21Å; L587-L605 HydrophobicContact CD1-CG 3.93Å |
| 588 | D | 95.1 | Very high | 96.1 | Very high | 13 Ų | 13 | 32.5 Ų | 32.5 | 7% | 0.07 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -148.7 | 61.3 | -175.2 | -156.7 | 11.8 | 0 | 0 | 0 | 113.7 | R585 Y586 Q590 N591 C596 D597 K600 | R585-D588 PolarHBondContact NH1-O 3.25Å; R585-D588 CarbonylContact O-C 3.46Å; R585-D588 VanDerWaalsContact O-C 3.26Å; R585-D588 PolarHBondContact O-N 3.25Å; Y586-D588 VanDerWaalsContact C-N 3.28Å; Y586-D588 PolarHBondContact O-N 3.47Å; D588-Q590 VanDerWaalsContact C-N 3.28Å; D588-Q590 PolarHBondContact O-N 2.99Å; D588-N591 HydrophobicContact CB-CB 4.26Å; D588-N591 VanDerWaalsContact CG-CB 3.4Å; D588-N591 PolarHBondContact O-N 2.64Å; D588-N591 VanDerWaalsContact OD2-CB 3.26Å; D588-N591 WeakPolarHBondContact OD2-CB 3.47Å; D588-N591 PolarHBondContact OD2-ND2 3.24Å; D588-C596 HydrophobicContact CB-CB 4.37Å; D588-D597 VanDerWaalsContact OD2-CB 3.28Å; D588-D597 WeakPolarHBondContact OD2-CB 3.42Å; D588-D597 PolarHBondContact OD2-N 3.45Å; D588-D597 VanDerWaalsContact OD2-N 3.12Å; D588-K600 HydrophobicContact CB-CD 3.91Å; D588-K600 VanDerWaalsContact CG-NZ 3.27Å; D588-K600 IonicContact OD1-NZ 3.67Å; D588-K600 PolarHBondContact OD1-NZ 2.85Å; D588-K600 IonicContact OD2-NZ 3.96Å |
| 589 | P | 94.8 | Very high | 95.9 | Very high | 19 Ų | 19 | 38 Ų | 38 | 12% | 0.123 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -28.8 | -166.9 | 27.9 | -39.8 | 0 | 0 | 0 | 114 | R145 L147 R585 | R145-P589 HydrophobicContact CB-CG 4.48Å; R145-P589 HydrophobicContact CG-CG 4.42Å; L147-P589 HydrophobicContact CD2-CB 3.63Å; R585-P589 PolarHBondContact NE-O 3.38Å; R585-P589 PolarHBondContact NH2-O 3.42Å; R585-P589 WeakPolarHBondContact O-CA 3.17Å; R585-P589 VanDerWaalsContact O-N 3.1Å |
| 590 | Q | 94 | Very high | 95.7 | Very high | 144 Ų | 144 | 42.3 Ų | 42.3 | 67% | 0.673 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | 5.8 | -174.9 | -57.8 | -60.8 | -12 | 0 | 0 | 113.6 | D588 N592 | D588-Q590 VanDerWaalsContact C-N 3.28Å; D588-Q590 PolarHBondContact O-N 2.99Å; Q590-N592 PolarHBondContact O-N 2.96Å |
| 591 | N | 94.9 | Very high | 95.5 | Very high | 26 Ų | 26 | 42.3 Ų | 42.3 | 14% | 0.139 | 22% | 0.218 | C | C | . | . | trans | -79.1 | 118.4 | -176.2 | -174.1 | -22.1 | 0 | 0 | 0 | 112 | W157 R585 D588 S593 S594 | W157-N591 PolarHBondContact NE1-O 3.09Å; R585-N591 VanDerWaalsContact CZ-O 3.28Å; R585-N591 PolarHBondContact NH1-O 3.22Å; R585-N591 PolarHBondContact NH2-O 2.87Å; D588-N591 HydrophobicContact CB-CB 4.26Å; D588-N591 VanDerWaalsContact CG-CB 3.4Å; D588-N591 PolarHBondContact O-N 2.64Å; D588-N591 VanDerWaalsContact OD2-CB 3.26Å; D588-N591 WeakPolarHBondContact OD2-CB 3.47Å; D588-N591 PolarHBondContact OD2-ND2 3.24Å; N591-S593 PolarHBondContact OD1-N 3.38Å; N591-S594 PolarHBondContact ND2-OG 3.28Å; N591-S594 PolarHBondContact OD1-N 3.08Å; N591-S594 PolarHBondContact OD1-O 3.46Å | ||
| 592 | N | 94.1 | Very high | 95.2 | Very high | 94 Ų | 94 | 44.9 Ų | 44.9 | 50% | 0.503 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -97.7 | -6.2 | -178.2 | -65.6 | -27.4 | 0 | 0 | 0 | 114.2 | K156 W157 Q590 | K156-N592 PolarHBondContact NZ-O 3.42Å; W157-N592 WeakPolarHBondContact CZ2-O 3.18Å; Q590-N592 PolarHBondContact O-N 2.96Å |
| 593 | S | 94.9 | Very high | 94.8 | Very high | 115 Ų | 115 | 49.2 Ų | 49.2 | 80% | 0.804 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -100.8 | -26.3 | -177 | -55.7 | 0 | 0 | 0 | 0 | 113.5 | W157 N591 | W157-S593 WeakPolarHBondContact CH2-O 3.25Å; N591-S593 PolarHBondContact OD1-N 3.38Å |
| 594 | S | 95.6 | Very high | 94.6 | Very high | 40 Ų | 40 | 49.9 Ų | 49.9 | 28% | 0.28 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -147.3 | 159.6 | 176.3 | 58 | 0 | 0 | 0 | 0 | 111.9 | W157 R585 N591 C596 | W157-S594 WeakPolarHBondContact CZ2-O 3.16Å; R585-S594 PolarHBondContact NH1-O 3.35Å; N591-S594 PolarHBondContact ND2-OG 3.28Å; N591-S594 PolarHBondContact OD1-N 3.08Å; N591-S594 PolarHBondContact OD1-O 3.46Å; S594-C596 PolarHBondContact O-N 2.79Å; S594-C596 PolarHBondContact OG-O 3.45Å |
| 595 | I | 96.8 | Very high | 94.4 | Very high | 4 Ų | 4 | 50.6 Ų | 50.6 | 2% | 0.021 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -53.1 | -40.6 | 174.7 | -170.2 | 165.6 | 0 | 0 | 0 | 112.3 | W157 W160 W581 L584 R585 V636 | W157-I595 HydrophobicContact CB-CB 4.35Å; W157-I595 HydrophobicContact CB-CD1 4.3Å; W157-I595 HydrophobicContact CB-CG1 3.96Å; W157-I595 HydrophobicContact CD2-CB 4.12Å; W157-I595 HydrophobicContact CE3-CB 3.94Å; W157-I595 HydrophobicContact CG-CB 4.3Å; W157-I595 HydrophobicContact CG-CG1 4.3Å; W160-I595 HydrophobicContact CE3-CB 4.48Å; W160-I595 HydrophobicContact CE3-CD1 4.3Å; W160-I595 HydrophobicContact CH2-CG2 4.49Å; W160-I595 HydrophobicContact CZ3-CB 4.41Å; W160-I595 HydrophobicContact CZ3-CD1 4.25Å; W160-I595 HydrophobicContact CZ3-CG2 4.14Å; W581-I595 HydrophobicContact CD2-CD1 4.01Å; W581-I595 HydrophobicContact CE3-CD1 3.53Å; W581-I595 HydrophobicContact CE3-CG1 3.62Å; W581-I595 HydrophobicContact CH2-CD1 4.48Å; W581-I595 HydrophobicContact CH2-CG1 4.23Å; W581-I595 HydrophobicContact CZ3-CD1 3.76Å; W581-I595 HydrophobicContact CZ3-CG1 3.4Å; L584-I595 HydrophobicContact CD2-CD1 4.39Å; L584-I595 HydrophobicContact CD2-CG1 4.28Å; L584-I595 HydrophobicContact CD2-CG2 4.29Å; R585-I595 WeakPolarHBondContact CD-O 3.47Å; R585-I595 PolarHBondContact NH1-O 3.31Å; I595-V636 HydrophobicContact CG2-CG1 3.69Å |
| 596 | C | 96.3 | Very high | 94.4 | Very high | 7 Ų | 7 | 52.6 Ų | 52.6 | 5% | 0.047 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -163.3 | 144 | 170.5 | -178.1 | 0 | 0 | 0 | 0 | 109.2 | L584 D588 S594 R598 | L584-C596 HydrophobicContact CD1-CB 3.56Å; L584-C596 HydrophobicContact CD2-CB 4.18Å; L584-C596 HydrophobicContact CG-CB 3.58Å; L584-C596 PolarHBondContact O-SG 3.06Å; D588-C596 HydrophobicContact CB-CB 4.37Å; S594-C596 PolarHBondContact O-N 2.79Å; S594-C596 PolarHBondContact OG-O 3.45Å; C596-R598 PolarHBondContact O-N 3.25Å |
| 597 | D | 94.9 | Very high | 94.4 | Very high | 55 Ų | 55 | 52.6 Ų | 52.6 | 29% | 0.294 | 28% | 0.284 | S | S | . | . | trans | -61 | 134.2 | 171.5 | 173.6 | -98.3 | 0 | 0 | 0 | 111.7 | D588 I599 K600 A601 | D588-D597 VanDerWaalsContact OD2-CB 3.28Å; D588-D597 WeakPolarHBondContact OD2-CB 3.42Å; D588-D597 PolarHBondContact OD2-N 3.45Å; D588-D597 VanDerWaalsContact OD2-N 3.12Å; D597-I599 VanDerWaalsContact C-N 3.33Å; D597-I599 PolarHBondContact O-N 2.82Å; D597-I599 WeakPolarHBondContact OD1-CA 3.49Å; D597-I599 VanDerWaalsContact OD1-CB 3.32Å; D597-I599 WeakPolarHBondContact OD1-CB 3.34Å; D597-I599 PolarHBondContact OD1-N 2.85Å; D597-K600 HydrophobicContact CB-CB 4.21Å; D597-K600 HydrophobicContact CB-CD 4.04Å; D597-K600 HydrophobicContact CB-CG 4.05Å; D597-K600 PolarHBondContact O-N 3.41Å; D597-K600 PolarHBondContact OD1-N 3.5Å; D597-A601 PolarHBondContact O-N 2.85Å | ||
| 598 | R | 93.3 | Very high | 94.4 | Very high | 153 Ų | 153 | 54 Ų | 54 | 58% | 0.577 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -66 | -34.1 | -173.9 | -167.7 | 176.6 | -176.8 | -175.4 | 1.8 | 112.7 | C596 A601 A602 N635 | C596-R598 PolarHBondContact O-N 3.25Å; R598-A601 PolarHBondContact O-N 3.36Å; R598-A602 VanDerWaalsContact O-CB 3.29Å; R598-A602 WeakPolarHBondContact O-CB 3.43Å; R598-A602 PolarHBondContact O-N 2.85Å; R598-N635 PolarHBondContact NE-O 3.42Å |
| 599 | I | 92.6 | Very high | 94.5 | Very high | 117 Ų | 117 | 53.6 Ų | 53.6 | 60% | 0.6 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -72 | -40.6 | 178.7 | -61.7 | 169.7 | 0 | 0 | 0 | 109.5 | D597 A602 N603 | D597-I599 VanDerWaalsContact C-N 3.33Å; D597-I599 PolarHBondContact O-N 2.82Å; D597-I599 WeakPolarHBondContact OD1-CA 3.49Å; D597-I599 VanDerWaalsContact OD1-CB 3.32Å; D597-I599 WeakPolarHBondContact OD1-CB 3.34Å; D597-I599 PolarHBondContact OD1-N 2.85Å; I599-A602 PolarHBondContact O-N 3.42Å; I599-N603 WeakPolarHBondContact CG2-ND2 3.45Å; I599-N603 WeakPolarHBondContact O-CB 3.41Å; I599-N603 PolarHBondContact O-N 3.13Å; I599-N603 PolarHBondContact O-ND2 3.49Å |
| 600 | K | 92.3 | Very high | 94.6 | Very high | 92 Ų | 92 | 52.8 Ų | 52.8 | 40% | 0.4 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.8 | -44.9 | 172.9 | -67 | -177.1 | -169.8 | 176.6 | 0 | 111.6 | D588 D597 N603 S604 | D588-K600 HydrophobicContact CB-CD 3.91Å; D588-K600 VanDerWaalsContact CG-NZ 3.27Å; D588-K600 IonicContact OD1-NZ 3.67Å; D588-K600 PolarHBondContact OD1-NZ 2.85Å; D588-K600 IonicContact OD2-NZ 3.96Å; D597-K600 HydrophobicContact CB-CB 4.21Å; D597-K600 HydrophobicContact CB-CD 4.04Å; D597-K600 HydrophobicContact CB-CG 4.05Å; D597-K600 PolarHBondContact O-N 3.41Å; D597-K600 PolarHBondContact OD1-N 3.5Å; K600-N603 PolarHBondContact O-N 2.79Å; K600-S604 PolarHBondContact O-N 2.99Å |
| 601 | A | 93.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.4 | -48.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L584 D597 R598 N603 S604 L605 | L584-A601 HydrophobicContact CD1-CB 3.86Å; D597-A601 PolarHBondContact O-N 2.85Å; R598-A601 PolarHBondContact O-N 3.36Å; A601-N603 PolarHBondContact O-N 3.44Å; A601-S604 PolarHBondContact O-N 2.79Å; A601-L605 HydrophobicContact CB-CD1 4.39Å; A601-L605 WeakPolarHBondContact O-CB 3.15Å; A601-L605 PolarHBondContact O-N 3.23Å |
| 602 | A | 92.7 | Very high | 94.7 | Very high | 55 Ų | 55 | 44.7 Ų | 44.7 | 46% | 0.455 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -58.5 | -33.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | R598 I599 | R598-A602 VanDerWaalsContact O-CB 3.29Å; R598-A602 WeakPolarHBondContact O-CB 3.43Å; R598-A602 PolarHBondContact O-N 2.85Å; I599-A602 PolarHBondContact O-N 3.42Å |
| 603 | N | 90.4 | Very high | 94.5 | Very high | 92 Ų | 92 | 40.7 Ų | 40.7 | 49% | 0.492 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -9 | -177.5 | -73.4 | -34.1 | 0 | 0 | 0 | 114.6 | I599 K600 A601 | I599-N603 WeakPolarHBondContact CG2-ND2 3.45Å; I599-N603 WeakPolarHBondContact O-CB 3.41Å; I599-N603 PolarHBondContact O-N 3.13Å; I599-N603 PolarHBondContact O-ND2 3.49Å; K600-N603 PolarHBondContact O-N 2.79Å; A601-N603 PolarHBondContact O-N 3.44Å |
| 604 | S | 92.2 | Very high | 94.2 | Very high | 14 Ų | 14 | 38 Ų | 38 | 10% | 0.098 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -141.5 | -8 | -169.5 | -60.8 | 0 | 0 | 0 | 0 | 114.7 | F57 K600 A601 | F57-S604 WeakPolarHBondContact CD1-O 3.15Å; K600-S604 PolarHBondContact O-N 2.99Å; A601-S604 PolarHBondContact O-N 2.79Å |
| 605 | L | 94.8 | Very high | 93.6 | Very high | 15 Ų | 15 | 39.7 Ų | 39.7 | 8% | 0.079 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -98.3 | 147.8 | 168.6 | -68.4 | -177.9 | 0 | 0 | 0 | 111.4 | F57 Y583 L584 L587 A601 V607 I637 P638 | F57-L605 HydrophobicContact CE1-CD2 4.42Å; Y583-L605 HydrophobicContact CD2-CD2 4.05Å; L584-L605 HydrophobicContact CD1-CD1 3.85Å; L587-L605 HydrophobicContact CD1-CD2 4.21Å; L587-L605 HydrophobicContact CD1-CG 3.93Å; A601-L605 HydrophobicContact CB-CD1 4.39Å; A601-L605 WeakPolarHBondContact O-CB 3.15Å; A601-L605 PolarHBondContact O-N 3.23Å; L605-V607 HydrophobicContact CD2-CG2 4.18Å; L605-I637 HydrophobicContact CD1-CB 4.1Å; L605-I637 HydrophobicContact CD1-CG2 3.88Å; L605-P638 HydrophobicContact CB-CG 4.14Å |
| 606 | P | 96.2 | Very high | 93.3 | Very high | 42 Ų | 42 | 41.2 Ų | 41.2 | 27% | 0.273 | 21% | 0.213 | S | C | . | . | S | Bend | cis | -72.4 | 161.8 | -0.1 | 31.8 | -37.3 | 0 | 0 | 0 | 113.1 | D608 K644 | P606-D608 PolarHBondContact O-N 3.45Å; P606-K644 HydrophobicContact CB-CB 4.38Å; P606-K644 HydrophobicContact CG-CB 4.01Å |
| 607 | V | 97.4 | Very high | 93 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.4 | 123.3 | 168.3 | 177.9 | 0 | 0 | 0 | 0 | 108.5 | F57 L59 L605 P642 F643 K644 | F57-V607 HydrophobicContact CD1-CB 4.36Å; F57-V607 HydrophobicContact CD1-CG2 3.8Å; F57-V607 HydrophobicContact CD2-CG1 4.49Å; F57-V607 HydrophobicContact CE1-CG2 3.81Å; F57-V607 HydrophobicContact CG-CG1 4.31Å; F57-V607 HydrophobicContact CG-CG2 4.32Å; F57-V607 HydrophobicContact CZ-CG2 4.32Å; F57-V607 WeakPolarHBondContact O-CG1 3.36Å; L59-V607 HydrophobicContact CB-CG1 3.7Å; L59-V607 HydrophobicContact CD2-CG1 4.42Å; L59-V607 HydrophobicContact CD2-CG2 4.2Å; L605-V607 HydrophobicContact CD2-CG2 4.18Å; V607-P642 WeakPolarHBondContact CB-O 3.41Å; V607-P642 PolarHBondContact N-O 2.91Å; V607-F643 HydrophobicContact CB-CB 4.45Å; V607-F643 HydrophobicContact CB-CD1 3.91Å; V607-F643 HydrophobicContact CG1-CD1 4.46Å; V607-F643 HydrophobicContact CG2-CD1 3.88Å; V607-F643 HydrophobicContact CG2-CE1 4.37Å; V607-K644 WeakPolarHBondContact O-CB 3.24Å; V607-K644 PolarHBondContact O-N 3.44Å |
| 608 | D | 95.7 | Very high | 92.7 | Very high | 38 Ų | 38 | 40 Ų | 40 | 20% | 0.203 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | -44.4 | -175.3 | -68.8 | -73.9 | 0 | 0 | 0 | 112.6 | S56 F57 P606 R645 | S56-D608 WeakPolarHBondContact CA-OD2 3.41Å; F57-D608 PolarHBondContact N-OD2 3.02Å; F57-D608 PolarHBondContact O-N 2.76Å; P606-D608 PolarHBondContact O-N 3.45Å; D608-R645 WeakPolarHBondContact O-CB 3.36Å; D608-R645 PolarHBondContact O-N 2.94Å |
| 609 | I | 96.2 | Very high | 92.4 | Very high | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.021 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 114 | -178.8 | -47.1 | 174.6 | 0 | 0 | 0 | 109.2 | F57 V58 L59 L83 I611 F810 | F57-I609 PolarHBondContact O-N 3.07Å; V58-I609 HydrophobicContact CG2-CD1 4.23Å; L59-I609 PolarHBondContact N-O 3.16Å; L83-I609 HydrophobicContact CD1-CD1 4.31Å; L83-I609 HydrophobicContact CD1-CG2 4.13Å; I609-I611 HydrophobicContact CG2-CD1 4.21Å; I609-I611 HydrophobicContact CG2-CG1 3.89Å; I609-F810 HydrophobicContact CB-CZ 4.49Å; I609-F810 HydrophobicContact CD1-CD1 4.39Å; I609-F810 HydrophobicContact CD1-CE1 3.5Å; I609-F810 VanDerWaalsContact CD1-CE1 3.5Å; I609-F810 HydrophobicContact CD1-CE2 4.1Å; I609-F810 HydrophobicContact CD1-CZ 3.29Å; I609-F810 HydrophobicContact CG1-CE1 4.3Å; I609-F810 HydrophobicContact CG1-CE2 4.07Å; I609-F810 HydrophobicContact CG1-CZ 3.57Å; I609-F810 HydrophobicContact CG2-CD2 4.3Å; I609-F810 HydrophobicContact CG2-CE2 3.82Å; I609-F810 HydrophobicContact CG2-CZ 4.12Å |
| 610 | Y | 97.3 | Very high | 92.4 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 0% | 0.004 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 127.9 | 174.1 | -167.8 | -127.9 | 0 | 0 | 0 | 111.6 | L59 M61 Y582 H620 L621 F643 R645 F646 L647 | L59-Y610 HydrophobicContact CB-CD2 3.95Å; L59-Y610 HydrophobicContact CB-CE2 4.41Å; L59-Y610 HydrophobicContact CD2-CD2 3.75Å; L59-Y610 HydrophobicContact CD2-CE2 3.61Å; L59-Y610 HydrophobicContact CG-CD2 3.77Å; L59-Y610 HydrophobicContact CG-CE2 3.72Å; L59-Y610 CarbonylContact O-C 3.51Å; L59-Y610 VanDerWaalsContact O-CA 3.31Å; L59-Y610 WeakPolarHBondContact O-CA 3.16Å; L59-Y610 VanDerWaalsContact O-CD2 3.31Å; L59-Y610 WeakPolarHBondContact O-CD2 3.41Å; M61-Y610 HydrophobicContact CE-CE1 3.79Å; M61-Y610 HydrophobicContact CG-CE1 4.24Å; M61-Y610 HydrophobicContact CG-CE2 4.37Å; M61-Y610 WeakPolarHBondContact CG-OH 3.28Å; Y582-Y610 WeakPolarHBondContact OH-CE2 3.26Å; Y582-Y610 VanDerWaalsContact OH-CZ 3.32Å; Y582-Y610 PolarHBondContact OH-OH 2.88Å; Y610-H620 AromaticContact CE1-NE2 3.61Å; Y610-H620 AromaticContact CZ-NE2 3.57Å; Y610-H620 PolarHBondContact OH-CD2 3.12Å; Y610-H620 PolarHBondContact OH-NE2 3.16Å; Y610-L621 HydrophobicContact CD1-CD2 3.68Å; Y610-L621 HydrophobicContact CE1-CD2 3.47Å; Y610-L621 VanDerWaalsContact CE1-CD2 3.47Å; Y610-F643 HydrophobicContact CD1-CB 4.49Å; Y610-F643 AromaticContact CD1-CD1 3.91Å; Y610-F643 HydrophobicContact CD1-CD1 3.91Å; Y610-F643 AromaticContact CD1-CD2 3.76Å; Y610-F643 HydrophobicContact CD1-CD2 3.76Å; Y610-F643 HydrophobicContact CD1-CE1 4.01Å; Y610-F643 AromaticContact CD1-CE2 3.86Å; Y610-F643 HydrophobicContact CD1-CE2 3.86Å; Y610-F643 AromaticContact CD1-CG 3.79Å; Y610-F643 HydrophobicContact CD1-CG 3.79Å; Y610-F643 AromaticContact CD1-CZ 3.99Å; Y610-F643 HydrophobicContact CD1-CZ 3.99Å; Y610-F643 HydrophobicContact CD2-CD1 4.09Å; Y610-F643 HydrophobicContact CD2-CE1 4.14Å; Y610-F643 HydrophobicContact CE1-CD1 4.46Å; Y610-F643 HydrophobicContact CE1-CD2 4.28Å; Y610-F643 HydrophobicContact CE1-CE1 4.1Å; Y610-F643 AromaticContact CE1-CE2 3.89Å; Y610-F643 HydrophobicContact CE1-CE2 3.89Å; Y610-F643 AromaticContact CE1-CZ 3.8Å; Y610-F643 HydrophobicContact CE1-CZ 3.8Å; Y610-F643 HydrophobicContact CE2-CE1 4.23Å; Y610-F643 HydrophobicContact CG-CB 4.33Å; Y610-F643 AromaticContact CG-CD1 3.71Å; Y610-F643 HydrophobicContact CG-CD1 3.71Å; Y610-F643 HydrophobicContact CG-CD2 4.32Å; Y610-F643 HydrophobicContact CG-CE1 4.04Å; Y610-F643 AromaticContact CG-CG 3.87Å; Y610-F643 HydrophobicContact CG-CG 3.87Å; Y610-F643 HydrophobicContact CG-CZ 4.48Å; Y610-R645 PolarHBondContact N-O 2.95Å; Y610-F646 AromaticContact CD1-CD2 3.92Å; Y610-F646 HydrophobicContact CD1-CD2 3.92Å; Y610-F646 HydrophobicContact CD1-CE2 4.16Å; Y610-F646 CarbonylContact O-C 3.5Å; Y610-F646 WeakPolarHBondContact O-CA 3.32Å; Y610-F646 VanDerWaalsContact O-CD2 3.25Å; Y610-F646 WeakPolarHBondContact O-CD2 3.38Å; Y610-L647 PolarHBondContact O-N 3.09Å |
| 611 | I | 96.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 127.7 | -165.7 | -54.2 | 156.1 | 0 | 0 | 0 | 109.4 | V58 L59 S60 M61 V76 V79 S80 L83 I609 L647 V649 | V58-I611 HydrophobicContact CG1-CD1 3.83Å; L59-I611 PolarHBondContact O-N 3.26Å; S60-I611 CarbonylContact C-O 3.49Å; S60-I611 WeakPolarHBondContact CA-O 3.36Å; M61-I611 PolarHBondContact N-O 3.22Å; V76-I611 HydrophobicContact CG1-CG2 4.25Å; V79-I611 HydrophobicContact CG1-CG2 4.16Å; S80-I611 VanDerWaalsContact CA-CD1 3.49Å; L83-I611 HydrophobicContact CD1-CD1 4.16Å; I609-I611 HydrophobicContact CG2-CD1 4.21Å; I609-I611 HydrophobicContact CG2-CG1 3.89Å; I611-L647 HydrophobicContact CG1-CB 4.17Å; I611-L647 HydrophobicContact CG1-CD2 4.41Å; I611-V649 HydrophobicContact CG2-CG2 3.56Å |
| 612 | G | 94.2 | Very high | 92.7 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.01 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 178.9 | -173.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | L647 P648 V649 | G612-L647 PolarHBondContact N-O 3.15Å; G612-P648 CarbonylContact O-C 3.26Å; G612-P648 WeakPolarHBondContact O-CA 3.39Å; G612-V649 PolarHBondContact O-N 2.68Å |
| 613 | G | 90.5 | Very high | 92.9 | Very high | 9 Ų | 9 | 23.2 Ų | 23.2 | 9% | 0.093 | 12% | 0.123 | C | C | . | . | trans | -82.9 | 147.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | E615 H616 | G613-E615 WeakPolarHBondContact CA-OE2 3.47Å; G613-E615 PolarHBondContact O-N 2.79Å; G613-H616 PolarHBondContact O-N 2.93Å | ||
| 614 | L | 88.7 | Confident | 93.2 | Very high | 58 Ų | 58 | 18.9 Ų | 18.9 | 30% | 0.304 | 10% | 0.099 | S | C | . | . | G | 310 helix | trans | -66.2 | -19.7 | 175.9 | -81.5 | 168.8 | 0 | 0 | 0 | 113 | D239 V240 H616 A617 F646 P648 | D239-L614 HydrophobicContact CB-CD2 4.04Å; V240-L614 HydrophobicContact CG2-CD2 3.82Å; L614-H616 PolarHBondContact O-N 2.86Å; L614-A617 VanDerWaalsContact O-CB 3.24Å; L614-A617 WeakPolarHBondContact O-CB 3.4Å; L614-A617 PolarHBondContact O-N 3.43Å; L614-F646 HydrophobicContact CD2-CE1 4.26Å; L614-P648 HydrophobicContact CD1-CB 4.01Å; L614-P648 HydrophobicContact CD2-CB 3.82Å; L614-P648 HydrophobicContact CG-CB 3.58Å |
| 615 | E | 83.7 | Confident | 93.5 | Very high | 76 Ų | 76 | 18.2 Ų | 18.2 | 36% | 0.355 | 9% | 0.094 | S | C | . | . | G | 310 helix | trans | -59.3 | -17 | 174.8 | 65.2 | -97.8 | -128.2 | 0 | 0 | 113.3 | G613 K698 | G613-E615 WeakPolarHBondContact CA-OE2 3.47Å; G613-E615 PolarHBondContact O-N 2.79Å; E615-K698 IonicContact OE1-NZ 2.91Å; E615-K698 PolarHBondContact OE1-NZ 2.82Å |
| 616 | H | 89.6 | Confident | 93.7 | Very high | 37 Ų | 37 | 17.5 Ų | 17.5 | 17% | 0.171 | 9% | 0.091 | C | C | . | . | G | 310 helix | trans | -93.4 | 1.7 | -180 | -69.4 | -63.4 | 0 | 0 | 0 | 113.7 | M61 G613 L614 V618 R619 H620 L621 | M61-H616 HydrophobicContact CE-CB 3.66Å; M61-H616 HydrophobicContact SD-CB 4.02Å; M61-H616 PolarHBondContact SD-CD2 3.46Å; G613-H616 PolarHBondContact O-N 2.93Å; L614-H616 PolarHBondContact O-N 2.86Å; H616-V618 PolarHBondContact O-N 3.46Å; H616-R619 PolarHBondContact O-N 2.8Å; H616-H620 HydrophobicContact CB-CB 4.08Å; H616-H620 PolarHBondContact O-N 3.45Å; H616-L621 WeakPolarHBondContact O-CB 3.49Å; H616-L621 PolarHBondContact O-N 3.2Å |
| 617 | A | 89.7 | Confident | 93.8 | Very high | 2 Ų | 2 | 15.5 Ų | 15.5 | 2% | 0.017 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -49.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | V240 L243 Q244 L614 | V240-A617 HydrophobicContact CG1-CB 4.11Å; V240-A617 HydrophobicContact CG2-CB 4.24Å; L243-A617 HydrophobicContact CB-CB 4.2Å; L243-A617 HydrophobicContact CD1-CB 3.56Å; Q244-A617 WeakPolarHBondContact CG-O 3.39Å; Q244-A617 PolarHBondContact NE2-O 3.19Å; L614-A617 VanDerWaalsContact O-CB 3.24Å; L614-A617 WeakPolarHBondContact O-CB 3.4Å; L614-A617 PolarHBondContact O-N 3.43Å |
| 618 | V | 89 | Confident | 93.8 | Very high | 33 Ų | 33 | 15.5 Ų | 15.5 | 20% | 0.2 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101 | 6.3 | -179.5 | -59.8 | 0 | 0 | 0 | 0 | 113 | L243 W247 H616 | L243-V618 HydrophobicContact CB-CG1 4.07Å; W247-V618 HydrophobicContact CB-CB 4.25Å; W247-V618 HydrophobicContact CB-CG1 3.69Å; W247-V618 HydrophobicContact CD2-CB 4.06Å; W247-V618 HydrophobicContact CD2-CG1 4.38Å; W247-V618 HydrophobicContact CE3-CB 4.29Å; W247-V618 HydrophobicContact CE3-CG2 4.46Å; W247-V618 HydrophobicContact CG-CB 4Å; W247-V618 HydrophobicContact CG-CG1 4Å; H616-V618 PolarHBondContact O-N 3.46Å |
| 619 | R | 86.9 | Confident | 94 | Very high | 50 Ų | 50 | 13.7 Ų | 13.7 | 19% | 0.189 | 7% | 0.068 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.7 | -106.8 | 178.8 | -64.8 | 176.7 | -178.3 | -164 | 3.7 | 108.9 | E191 F576 H616 L621 Y622 Y623 | E191-R619 HydrophobicContact CB-CG 3.92Å; E191-R619 PolarHBondContact O-NE 2.94Å; E191-R619 PolarHBondContact O-NH2 2.89Å; F576-R619 HydrophobicContact CE1-CB 4.17Å; F576-R619 HydrophobicContact CZ-CB 4.27Å; H616-R619 PolarHBondContact O-N 2.8Å; R619-L621 VanDerWaalsContact C-N 3.35Å; R619-L621 PolarHBondContact O-N 3.33Å; R619-Y622 WeakPolarHBondContact O-CB 3.45Å; R619-Y622 PolarHBondContact O-N 3.47Å; R619-Y623 VanDerWaalsContact O-CD2 3.25Å; R619-Y623 WeakPolarHBondContact O-CD2 3.42Å; R619-Y623 PolarHBondContact O-N 3.45Å |
| 620 | H | 93.8 | Very high | 94.1 | Very high | 6 Ų | 6 | 13.6 Ų | 13.6 | 3% | 0.028 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -48.1 | -48.2 | 179.1 | 166.9 | 69.9 | 0 | 0 | 0 | 113.8 | F576 S579 Y582 Y610 H616 Y622 Y623 A624 | F576-H620 HydrophobicContact CD1-CB 4.18Å; F576-H620 HydrophobicContact CE1-CB 4.09Å; S579-H620 PolarHBondContact O-CE1 3.19Å; S579-H620 PolarHBondContact O-ND1 3.11Å; Y582-H620 AromaticContact CE1-CE1 3.87Å; Y610-H620 AromaticContact CE1-NE2 3.61Å; Y610-H620 AromaticContact CZ-NE2 3.57Å; Y610-H620 PolarHBondContact OH-CD2 3.12Å; Y610-H620 PolarHBondContact OH-NE2 3.16Å; H616-H620 HydrophobicContact CB-CB 4.08Å; H616-H620 PolarHBondContact O-N 3.45Å; H620-Y622 VanDerWaalsContact C-N 3.3Å; H620-Y622 PolarHBondContact O-N 3.12Å; H620-Y623 PolarHBondContact O-N 3.03Å; H620-A624 VanDerWaalsContact O-CB 3.24Å; H620-A624 WeakPolarHBondContact O-CB 3.32Å; H620-A624 PolarHBondContact O-N 3.09Å |
| 621 | L | 96.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -65.9 | -33.7 | -178.7 | -71.3 | -178 | 0 | 0 | 0 | 112.5 | M61 W237 V240 Y610 H616 R619 R625 F643 F646 | M61-L621 HydrophobicContact CE-CD2 4.31Å; M61-L621 HydrophobicContact CE-CG 4.34Å; W237-L621 HydrophobicContact CH2-CD1 4.48Å; W237-L621 HydrophobicContact CH2-CD2 4.25Å; W237-L621 HydrophobicContact CZ3-CD1 4.23Å; V240-L621 HydrophobicContact CG1-CD1 3.91Å; V240-L621 HydrophobicContact CG2-CD1 4.03Å; Y610-L621 HydrophobicContact CD1-CD2 3.68Å; Y610-L621 HydrophobicContact CE1-CD2 3.47Å; Y610-L621 VanDerWaalsContact CE1-CD2 3.47Å; H616-L621 WeakPolarHBondContact O-CB 3.49Å; H616-L621 PolarHBondContact O-N 3.2Å; R619-L621 VanDerWaalsContact C-N 3.35Å; R619-L621 PolarHBondContact O-N 3.33Å; L621-R625 WeakPolarHBondContact O-CD 3.24Å; L621-R625 WeakPolarHBondContact O-CG 3.31Å; L621-R625 PolarHBondContact O-N 2.77Å; L621-F643 HydrophobicContact CD2-CD2 4.03Å; L621-F643 HydrophobicContact CD2-CE2 3.72Å; L621-F646 HydrophobicContact CD1-CD1 4.33Å; L621-F646 HydrophobicContact CD1-CD2 4.1Å; L621-F646 HydrophobicContact CD1-CE1 4.04Å; L621-F646 HydrophobicContact CD1-CE2 3.82Å; L621-F646 HydrophobicContact CD1-CG 4.35Å; L621-F646 HydrophobicContact CD1-CZ 3.79Å; L621-F646 HydrophobicContact CD2-CD2 4.42Å; L621-F646 HydrophobicContact CD2-CE2 4.37Å |
| 622 | Y | 95.4 | Very high | 94.2 | Very high | 8 Ų | 8 | 16 Ų | 16 | 3% | 0.031 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -68.9 | -47.5 | 175.7 | 172.8 | -102.1 | 0 | 0 | 0 | 110.7 | T218 L225 L248 R619 H620 R625 F626 | T218-Y622 HydrophobicContact CG2-CE1 4.4Å; L225-Y622 HydrophobicContact CD1-CD2 4.4Å; L225-Y622 HydrophobicContact CD1-CE2 3.66Å; L248-Y622 HydrophobicContact CD2-CE2 3.84Å; L248-Y622 HydrophobicContact CG-CE2 4.43Å; R619-Y622 WeakPolarHBondContact O-CB 3.45Å; R619-Y622 PolarHBondContact O-N 3.47Å; H620-Y622 VanDerWaalsContact C-N 3.3Å; H620-Y622 PolarHBondContact O-N 3.12Å; Y622-R625 PolarHBondContact O-N 3.12Å; Y622-F626 PolarHBondContact O-N 3.46Å |
| 623 | Y | 96.6 | Very high | 94.3 | Very high | 2 Ų | 2 | 19.3 Ų | 19.3 | 1% | 0.008 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -66.7 | -41 | 179.8 | -59.4 | -42.2 | 0 | 0 | 0 | 113.5 | E191 W500 F576 S580 R619 H620 R625 F626 I627 | E191-Y623 PolarHBondContact OE1-OH 3.01Å; E191-Y623 PolarHBondContact OE2-OH 2.74Å; W500-Y623 HydrophobicContact CB-CE1 4.01Å; W500-Y623 AromaticContact CD1-CE1 3.96Å; W500-Y623 AromaticContact CD1-CZ 3.81Å; W500-Y623 AromaticContact CD2-CD1 3.61Å; W500-Y623 HydrophobicContact CD2-CD1 3.61Å; W500-Y623 AromaticContact CD2-CE1 3.45Å; W500-Y623 HydrophobicContact CD2-CE1 3.45Å; W500-Y623 VanDerWaalsContact CD2-CE1 3.45Å; W500-Y623 HydrophobicContact CD2-CE2 4.44Å; W500-Y623 HydrophobicContact CD2-CG 4.19Å; W500-Y623 AromaticContact CD2-CZ 3.87Å; W500-Y623 AromaticContact CE2-CE1 3.87Å; W500-Y623 AromaticContact CE2-CZ 3.81Å; W500-Y623 AromaticContact CE3-CD1 3.39Å; W500-Y623 HydrophobicContact CE3-CD1 3.39Å; W500-Y623 AromaticContact CE3-CE1 3.74Å; W500-Y623 HydrophobicContact CE3-CE1 3.74Å; W500-Y623 AromaticContact CE3-CG 3.94Å; W500-Y623 HydrophobicContact CE3-CG 3.94Å; W500-Y623 HydrophobicContact CG-CD1 4.2Å; W500-Y623 AromaticContact CG-CE1 3.57Å; W500-Y623 HydrophobicContact CG-CE1 3.57Å; W500-Y623 AromaticContact CG-CZ 3.91Å; W500-Y623 HydrophobicContact CH2-CD1 4.11Å; W500-Y623 HydrophobicContact CH2-CD2 4.11Å; W500-Y623 AromaticContact CH2-CG 3.77Å; W500-Y623 HydrophobicContact CH2-CG 3.77Å; W500-Y623 HydrophobicContact CZ2-CD1 4.33Å; W500-Y623 HydrophobicContact CZ2-CD2 4.01Å; W500-Y623 HydrophobicContact CZ2-CE2 4.2Å; W500-Y623 HydrophobicContact CZ2-CG 4.06Å; W500-Y623 AromaticContact CZ3-CD1 3.65Å; W500-Y623 HydrophobicContact CZ3-CD1 3.65Å; W500-Y623 HydrophobicContact CZ3-CD2 4.47Å; W500-Y623 HydrophobicContact CZ3-CE1 4.36Å; W500-Y623 AromaticContact CZ3-CG 3.71Å; W500-Y623 HydrophobicContact CZ3-CG 3.71Å; W500-Y623 AromaticContact NE1-CZ 3.77Å; F576-Y623 HydrophobicContact CB-CD2 3.7Å; F576-Y623 HydrophobicContact CB-CE2 3.96Å; F576-Y623 HydrophobicContact CD1-CD2 4.04Å; F576-Y623 HydrophobicContact CD1-CE2 4.33Å; F576-Y623 HydrophobicContact CD2-CE2 4.2Å; F576-Y623 AromaticContact CG-CD2 3.87Å; F576-Y623 HydrophobicContact CG-CD2 3.87Å; F576-Y623 AromaticContact CG-CE2 3.9Å; F576-Y623 HydrophobicContact CG-CE2 3.9Å; S580-Y623 WeakPolarHBondContact OG-CB 3.31Å; R619-Y623 VanDerWaalsContact O-CD2 3.25Å; R619-Y623 WeakPolarHBondContact O-CD2 3.42Å; R619-Y623 PolarHBondContact O-N 3.45Å; H620-Y623 PolarHBondContact O-N 3.03Å; Y623-R625 VanDerWaalsContact C-N 3.29Å; Y623-R625 PolarHBondContact O-N 3.46Å; Y623-F626 WeakPolarHBondContact O-CB 3.26Å; Y623-F626 PolarHBondContact O-N 2.94Å; Y623-I627 WeakPolarHBondContact O-CG1 3.49Å; Y623-I627 PolarHBondContact O-N 2.62Å |
| 624 | A | 98.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -61.4 | -38.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | S580 Y583 H620 A628 F643 | S580-A624 WeakPolarHBondContact O-CA 3.37Å; Y583-A624 HydrophobicContact CE1-CB 4.24Å; H620-A624 VanDerWaalsContact O-CB 3.24Å; H620-A624 WeakPolarHBondContact O-CB 3.32Å; H620-A624 PolarHBondContact O-N 3.09Å; A624-A628 VanDerWaalsContact O-CB 3.24Å; A624-A628 WeakPolarHBondContact O-CB 3.49Å; A624-A628 PolarHBondContact O-N 2.76Å; A624-F643 HydrophobicContact CB-CE2 3.91Å; A624-F643 HydrophobicContact CB-CZ 3.79Å |
| 625 | R | 98.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -67.7 | -45.3 | 173.4 | -69.6 | 175.3 | 68.8 | -120.3 | -10.1 | 111.4 | L225 L621 Y622 Y623 I627 A628 H629 E641 P642 | L225-R625 HydrophobicContact CD2-CB 3.66Å; L225-R625 PolarHBondContact O-NH2 3.47Å; L621-R625 WeakPolarHBondContact O-CD 3.24Å; L621-R625 WeakPolarHBondContact O-CG 3.31Å; L621-R625 PolarHBondContact O-N 2.77Å; Y622-R625 PolarHBondContact O-N 3.12Å; Y623-R625 VanDerWaalsContact C-N 3.29Å; Y623-R625 PolarHBondContact O-N 3.46Å; R625-I627 VanDerWaalsContact C-N 3.35Å; R625-I627 PolarHBondContact O-N 3.3Å; R625-A628 PolarHBondContact O-N 2.87Å; R625-H629 PolarHBondContact O-CD2 2.78Å; R625-H629 PolarHBondContact O-N 3.36Å; R625-E641 WeakPolarHBondContact CG-OE2 3.45Å; R625-E641 IonicContact CZ-OE1 2.62Å; R625-E641 IonicContact CZ-OE2 2.77Å; R625-E641 IonicContact NE-OE1 3.3Å; R625-E641 PolarHBondContact NE-OE1 2.87Å; R625-E641 IonicContact NE-OE2 2.81Å; R625-E641 PolarHBondContact NE-OE2 3.26Å; R625-E641 IonicContact NH2-OE1 3.83Å; R625-E641 PolarHBondContact NH2-OE1 3.16Å; R625-E641 IonicContact NH2-OE2 3.35Å; R625-P642 HydrophobicContact CG-CG 4.4Å |
| 626 | F | 97.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -54.5 | -50.6 | 175 | 162.1 | -112 | 0 | 0 | 0 | 111.9 | L165 F216 T218 Y221 L225 W500 Y622 Y623 A628 H629 F630 | L165-F626 HydrophobicContact CD2-CZ 4.1Å; F216-F626 HydrophobicContact CB-CE1 3.96Å; F216-F626 HydrophobicContact CB-CZ 4.16Å; F216-F626 HydrophobicContact CD2-CE1 4.06Å; F216-F626 HydrophobicContact CG-CE1 4.34Å; T218-F626 HydrophobicContact CG2-CD1 3.73Å; T218-F626 HydrophobicContact CG2-CD2 4.12Å; T218-F626 HydrophobicContact CG2-CE1 3.84Å; T218-F626 HydrophobicContact CG2-CE2 4.22Å; T218-F626 HydrophobicContact CG2-CG 3.87Å; T218-F626 HydrophobicContact CG2-CZ 4.08Å; Y221-F626 AromaticContact CD2-CD2 3.96Å; Y221-F626 HydrophobicContact CD2-CD2 3.96Å; Y221-F626 AromaticContact CD2-CE2 3.59Å; Y221-F626 HydrophobicContact CD2-CE2 3.59Å; Y221-F626 HydrophobicContact CE2-CE2 4.12Å; Y221-F626 AromaticContact CG-CD2 3.97Å; Y221-F626 HydrophobicContact CG-CD2 3.97Å; Y221-F626 HydrophobicContact CG-CE2 4.1Å; L225-F626 HydrophobicContact CD1-CB 4.35Å; W500-F626 HydrophobicContact CE3-CD1 4.22Å; W500-F626 HydrophobicContact CE3-CE1 4.36Å; W500-F626 HydrophobicContact CZ3-CD1 4.25Å; Y622-F626 PolarHBondContact O-N 3.46Å; Y623-F626 WeakPolarHBondContact O-CB 3.26Å; Y623-F626 PolarHBondContact O-N 2.94Å; F626-A628 PolarHBondContact O-N 3.47Å; F626-H629 PolarHBondContact O-N 3.06Å; F626-F630 PolarHBondContact O-N 2.87Å |
| 627 | I | 98.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -64.7 | -39.4 | 178.2 | -65.9 | -56.1 | 0 | 0 | 0 | 111.3 | L161 L165 W581 Y623 R625 F630 L631 | L161-I627 HydrophobicContact CD1-CG2 4.31Å; L161-I627 HydrophobicContact CD2-CD1 4.09Å; L161-I627 HydrophobicContact CD2-CG1 4.48Å; L161-I627 HydrophobicContact CD2-CG2 3.82Å; L165-I627 HydrophobicContact CD1-CD1 4.06Å; W581-I627 HydrophobicContact CB-CG2 4.04Å; Y623-I627 WeakPolarHBondContact O-CG1 3.49Å; Y623-I627 PolarHBondContact O-N 2.62Å; R625-I627 VanDerWaalsContact C-N 3.35Å; R625-I627 PolarHBondContact O-N 3.3Å; I627-F630 PolarHBondContact O-N 3.14Å; I627-L631 HydrophobicContact CG2-CD1 3.81Å; I627-L631 HydrophobicContact CG2-CG 4.08Å; I627-L631 WeakPolarHBondContact O-CB 3.45Å; I627-L631 VanDerWaalsContact O-CG 3.26Å; I627-L631 WeakPolarHBondContact O-CG 3.3Å; I627-L631 PolarHBondContact O-N 3.06Å |
| 628 | A | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.7 | -46.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y583 A624 R625 F626 F630 L631 H632 I637 R640 P642 | Y583-A628 WeakPolarHBondContact OH-CB 3.49Å; A624-A628 VanDerWaalsContact O-CB 3.24Å; A624-A628 WeakPolarHBondContact O-CB 3.49Å; A624-A628 PolarHBondContact O-N 2.76Å; R625-A628 PolarHBondContact O-N 2.87Å; F626-A628 PolarHBondContact O-N 3.47Å; A628-F630 VanDerWaalsContact C-N 3.31Å; A628-F630 PolarHBondContact O-N 3.03Å; A628-L631 PolarHBondContact O-N 2.83Å; A628-H632 WeakPolarHBondContact O-CB 3.26Å; A628-H632 PolarHBondContact O-N 3.48Å; A628-I637 HydrophobicContact CB-CD1 3.85Å; A628-I637 VanDerWaalsContact O-CD1 3.29Å; A628-I637 WeakPolarHBondContact O-CD1 3.35Å; A628-R640 WeakPolarHBondContact CB-O 3.13Å; A628-P642 HydrophobicContact CB-CB 3.87Å; A628-P642 HydrophobicContact CB-CG 3.73Å |
| 629 | H | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60 | -43.2 | 176.6 | -76.4 | -127.6 | 0 | 0 | 0 | 111.1 | Y221 S224 R625 F626 H632 D633 R640 E641 | Y221-H629 HydrophobicContact CD1-CB 3.6Å; Y221-H629 HydrophobicContact CE1-CB 3.78Å; S224-H629 PolarHBondContact O-CE1 2.8Å; S224-H629 VanDerWaalsContact O-CE1 3.26Å; S224-H629 PolarHBondContact OG-ND1 3.28Å; R625-H629 PolarHBondContact O-CD2 2.78Å; R625-H629 PolarHBondContact O-N 3.36Å; F626-H629 PolarHBondContact O-N 3.06Å; H629-H632 PolarHBondContact O-N 2.74Å; H629-D633 PolarHBondContact O-N 3.1Å; H629-R640 PolarHBondContact CD2-O 2.82Å; H629-E641 IonicContact CE1-OE1 3.28Å; H629-E641 IonicContact NE2-OE1 2.82Å; H629-E641 PolarHBondContact NE2-OE1 3.27Å; H629-E641 VanDerWaalsContact NE2-OE1 3.17Å |
| 630 | F | 98.4 | Very high | 96.8 | Very high | 3 Ų | 3 | 25.2 Ų | 25.2 | 1% | 0.013 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.1 | -48.9 | 174.8 | 175.1 | -101.1 | 0 | 0 | 0 | 112.3 | L161 K164 L165 M170 Y221 F626 I627 A628 H632 D633 I634 | L161-F630 HydrophobicContact CD1-CD1 3.92Å; L161-F630 HydrophobicContact CD1-CE1 3.94Å; K164-F630 HydrophobicContact CB-CE1 3.98Å; K164-F630 HydrophobicContact CB-CZ 3.93Å; L165-F630 HydrophobicContact CD2-CB 4.43Å; L165-F630 HydrophobicContact CD2-CD1 3.68Å; L165-F630 HydrophobicContact CD2-CD2 3.6Å; L165-F630 HydrophobicContact CD2-CE1 3.76Å; L165-F630 HydrophobicContact CD2-CE2 3.7Å; L165-F630 HydrophobicContact CD2-CG 3.6Å; L165-F630 HydrophobicContact CD2-CZ 3.78Å; L165-F630 HydrophobicContact CG-CD1 4.02Å; L165-F630 HydrophobicContact CG-CE1 3.74Å; L165-F630 HydrophobicContact CG-CE2 4.36Å; L165-F630 HydrophobicContact CG-CG 4.45Å; L165-F630 HydrophobicContact CG-CZ 3.93Å; M170-F630 HydrophobicContact CG-CE2 4.48Å; Y221-F630 HydrophobicContact CE2-CD2 4.47Å; Y221-F630 WeakPolarHBondContact OH-CD2 3.27Å; F626-F630 PolarHBondContact O-N 2.87Å; I627-F630 PolarHBondContact O-N 3.14Å; A628-F630 VanDerWaalsContact C-N 3.31Å; A628-F630 PolarHBondContact O-N 3.03Å; F630-H632 VanDerWaalsContact C-N 3.26Å; F630-H632 PolarHBondContact O-N 3.32Å; F630-D633 PolarHBondContact O-N 3.42Å; F630-D633 VanDerWaalsContact O-N 3.14Å; F630-I634 HydrophobicContact CE1-CD1 3.98Å; F630-I634 HydrophobicContact CE1-CG1 4.48Å; F630-I634 HydrophobicContact CE2-CG2 4.18Å; F630-I634 HydrophobicContact CZ-CD1 4.37Å; F630-I634 HydrophobicContact CZ-CG2 4.05Å; F630-I634 WeakPolarHBondContact O-CG1 3.32Å; F630-I634 PolarHBondContact O-N 2.88Å; F630-I634 VanDerWaalsContact O-N 3.11Å |
| 631 | L | 98.2 | Very high | 97 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.7 | -34.4 | 178.5 | -73.5 | 178.8 | 0 | 0 | 0 | 112.3 | W160 L161 L584 I627 A628 I634 N635 V636 I637 | W160-L631 HydrophobicContact CZ3-CD2 4.41Å; L161-L631 HydrophobicContact CD1-CD2 3.96Å; L161-L631 HydrophobicContact CD1-CG 4.49Å; L584-L631 HydrophobicContact CD2-CD1 4Å; I627-L631 HydrophobicContact CG2-CD1 3.81Å; I627-L631 HydrophobicContact CG2-CG 4.08Å; I627-L631 WeakPolarHBondContact O-CB 3.45Å; I627-L631 VanDerWaalsContact O-CG 3.26Å; I627-L631 WeakPolarHBondContact O-CG 3.3Å; I627-L631 PolarHBondContact O-N 3.06Å; A628-L631 PolarHBondContact O-N 2.83Å; L631-I634 HydrophobicContact CD2-CD1 4.17Å; L631-I634 WeakPolarHBondContact O-CG1 3.35Å; L631-N635 PolarHBondContact O-N 3.29Å; L631-V636 HydrophobicContact CB-CB 4.25Å; L631-V636 HydrophobicContact CD2-CB 4.15Å; L631-V636 HydrophobicContact CD2-CG1 4.19Å; L631-V636 HydrophobicContact CD2-CG2 4.25Å; L631-V636 WeakPolarHBondContact O-CB 3.3Å; L631-V636 PolarHBondContact O-N 2.6Å; L631-I637 HydrophobicContact CB-CD1 4.13Å; L631-I637 HydrophobicContact CB-CG1 3.99Å; L631-I637 HydrophobicContact CB-CG2 4.35Å |
| 632 | H | 97.7 | Very high | 97 | Very high | 50 Ų | 50 | 25.7 Ų | 25.7 | 23% | 0.231 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -66.2 | -45.8 | 173.4 | 172.2 | -83.4 | 0 | 0 | 0 | 111.2 | A628 H629 F630 I634 N635 I637 R640 | A628-H632 WeakPolarHBondContact O-CB 3.26Å; A628-H632 PolarHBondContact O-N 3.48Å; H629-H632 PolarHBondContact O-N 2.74Å; F630-H632 VanDerWaalsContact C-N 3.26Å; F630-H632 PolarHBondContact O-N 3.32Å; H632-I634 PolarHBondContact O-N 2.94Å; H632-N635 WeakPolarHBondContact O-CA 3.4Å; H632-N635 PolarHBondContact O-N 2.96Å; H632-I637 HydrophobicContact CB-CD1 4.49Å; H632-I637 HydrophobicContact CB-CG1 3.95Å; H632-R640 HydrophobicContact CB-CG 3.91Å; H632-R640 VanDerWaalsContact CG-CG 3.43Å; H632-R640 WeakPolarHBondContact ND1-CG 3.12Å; H632-R640 PolarHBondContact ND1-NE 3.25Å |
| 633 | D | 96.9 | Very high | 97.1 | Very high | 71 Ų | 71 | 25.3 Ų | 25.3 | 38% | 0.38 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -64.7 | -28 | -178.8 | -73.8 | -4 | 0 | 0 | 0 | 112.4 | Y221 H629 F630 N635 R640 | Y221-D633 WeakPolarHBondContact CE1-OD2 3.5Å; Y221-D633 PolarHBondContact OH-OD2 3.36Å; H629-D633 PolarHBondContact O-N 3.1Å; F630-D633 PolarHBondContact O-N 3.42Å; F630-D633 VanDerWaalsContact O-N 3.14Å; D633-N635 VanDerWaalsContact C-N 3.35Å; D633-R640 IonicContact OD1-NE 3.96Å; D633-R640 IonicContact OD1-NH2 2.79Å |
| 634 | I | 96.1 | Very high | 97 | Very high | 57 Ų | 57 | 29.6 Ų | 29.6 | 29% | 0.292 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | 14.4 | 170.1 | 67.5 | 160 | 0 | 0 | 0 | 114.1 | W160 K164 F630 L631 H632 V636 | W160-I634 HydrophobicContact CH2-CD1 4.1Å; K164-I634 HydrophobicContact CB-CD1 4.37Å; K164-I634 HydrophobicContact CG-CD1 4.4Å; F630-I634 HydrophobicContact CE1-CD1 3.98Å; F630-I634 HydrophobicContact CE1-CG1 4.48Å; F630-I634 HydrophobicContact CE2-CG2 4.18Å; F630-I634 HydrophobicContact CZ-CD1 4.37Å; F630-I634 HydrophobicContact CZ-CG2 4.05Å; F630-I634 WeakPolarHBondContact O-CG1 3.32Å; F630-I634 PolarHBondContact O-N 2.88Å; F630-I634 VanDerWaalsContact O-N 3.11Å; L631-I634 HydrophobicContact CD2-CD1 4.17Å; L631-I634 WeakPolarHBondContact O-CG1 3.35Å; H632-I634 PolarHBondContact O-N 2.94Å; I634-V636 VanDerWaalsContact C-N 3.34Å; I634-V636 HydrophobicContact CD1-CG2 3.68Å; I634-V636 HydrophobicContact CG1-CG2 3.79Å; I634-V636 PolarHBondContact O-N 3.03Å |
| 635 | N | 95.6 | Very high | 96.9 | Very high | 102 Ų | 102 | 31.7 Ų | 31.7 | 55% | 0.545 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63 | 24.5 | 175.1 | -63.3 | -72.4 | 0 | 0 | 0 | 116.6 | R598 L631 H632 D633 | R598-N635 PolarHBondContact NE-O 3.42Å; L631-N635 PolarHBondContact O-N 3.29Å; H632-N635 WeakPolarHBondContact O-CA 3.4Å; H632-N635 PolarHBondContact O-N 2.96Å; D633-N635 VanDerWaalsContact C-N 3.35Å |
| 636 | V | 95.7 | Very high | 96.7 | Very high | 24 Ų | 24 | 31.8 Ų | 31.8 | 15% | 0.145 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -80.9 | -39.3 | 176.9 | 174.2 | 0 | 0 | 0 | 0 | 111.8 | W160 L584 I595 L631 I634 | W160-V636 HydrophobicContact CH2-CG2 4.03Å; L584-V636 HydrophobicContact CD2-CG1 4.13Å; I595-V636 HydrophobicContact CG2-CG1 3.69Å; L631-V636 HydrophobicContact CB-CB 4.25Å; L631-V636 HydrophobicContact CD2-CB 4.15Å; L631-V636 HydrophobicContact CD2-CG1 4.19Å; L631-V636 HydrophobicContact CD2-CG2 4.25Å; L631-V636 WeakPolarHBondContact O-CB 3.3Å; L631-V636 PolarHBondContact O-N 2.6Å; I634-V636 VanDerWaalsContact C-N 3.34Å; I634-V636 HydrophobicContact CD1-CG2 3.68Å; I634-V636 HydrophobicContact CG1-CG2 3.79Å; I634-V636 PolarHBondContact O-N 3.03Å |
| 637 | I | 96.8 | Very high | 96.5 | Very high | 5 Ų | 5 | 32.1 Ų | 32.1 | 3% | 0.026 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -119.2 | 153.3 | -180 | 66.2 | 171.9 | 0 | 0 | 0 | 111.5 | L584 L605 A628 L631 H632 C639 | L584-I637 HydrophobicContact CD1-CG2 3.8Å; L584-I637 HydrophobicContact CD2-CG2 3.81Å; L584-I637 HydrophobicContact CG-CG2 4.4Å; L605-I637 HydrophobicContact CD1-CB 4.1Å; L605-I637 HydrophobicContact CD1-CG2 3.88Å; A628-I637 HydrophobicContact CB-CD1 3.85Å; A628-I637 VanDerWaalsContact O-CD1 3.29Å; A628-I637 WeakPolarHBondContact O-CD1 3.35Å; L631-I637 HydrophobicContact CB-CD1 4.13Å; L631-I637 HydrophobicContact CB-CG1 3.99Å; L631-I637 HydrophobicContact CB-CG2 4.35Å; H632-I637 HydrophobicContact CB-CD1 4.49Å; H632-I637 HydrophobicContact CB-CG1 3.95Å; I637-C639 WeakPolarHBondContact CD1-O 3.4Å; I637-C639 WeakPolarHBondContact CG1-O 3.37Å |
| 638 | P | 95.3 | Very high | 96.2 | Very high | 63 Ų | 63 | 32.9 Ų | 32.9 | 41% | 0.409 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -78.9 | -18.6 | -172.4 | 35.1 | -42.1 | 0 | 0 | 0 | 114.3 | L605 | L605-P638 HydrophobicContact CB-CG 4.14Š|
| 639 | C | 94.8 | Very high | 95.9 | Very high | 31 Ų | 31 | 33.2 Ų | 33.2 | 21% | 0.209 | 17% | 0.166 | C | C | . | . | trans | -139 | 150.8 | -174 | 60.4 | 0 | 0 | 0 | 0 | 110.8 | I637 E641 | I637-C639 WeakPolarHBondContact CD1-O 3.4Å; I637-C639 WeakPolarHBondContact CG1-O 3.37Å; C639-E641 PolarHBondContact SG-O 2.84Å; C639-E641 VanDerWaalsContact SG-O 3.34Å | ||
| 640 | R | 95.9 | Very high | 95.6 | Very high | 108 Ų | 108 | 33.7 Ų | 33.7 | 41% | 0.408 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -74.2 | -39.6 | -179.5 | -69.5 | 178.5 | 172 | 160.6 | -0 | 112.9 | A628 H629 H632 D633 | A628-R640 WeakPolarHBondContact CB-O 3.13Å; H629-R640 PolarHBondContact CD2-O 2.82Å; H632-R640 HydrophobicContact CB-CG 3.91Å; H632-R640 VanDerWaalsContact CG-CG 3.43Å; H632-R640 WeakPolarHBondContact ND1-CG 3.12Å; H632-R640 PolarHBondContact ND1-NE 3.25Å; D633-R640 IonicContact OD1-NE 3.96Å; D633-R640 IonicContact OD1-NH2 2.79Å |
| 641 | E | 97.1 | Very high | 95.2 | Very high | 16 Ų | 16 | 36.3 Ų | 36.3 | 8% | 0.075 | 19% | 0.185 | C | C | . | . | trans | -88 | 121.8 | -179.7 | -68.6 | -65.9 | 167.9 | 0 | 0 | 110.2 | G228 I232 R625 H629 C639 | G228-E641 WeakPolarHBondContact CA-OE1 3.43Å; I232-E641 HydrophobicContact CG2-CB 3.98Å; I232-E641 HydrophobicContact CG2-CG 3.85Å; R625-E641 WeakPolarHBondContact CG-OE2 3.45Å; R625-E641 IonicContact CZ-OE1 2.62Å; R625-E641 IonicContact CZ-OE2 2.77Å; R625-E641 IonicContact NE-OE1 3.3Å; R625-E641 PolarHBondContact NE-OE1 2.87Å; R625-E641 IonicContact NE-OE2 2.81Å; R625-E641 PolarHBondContact NE-OE2 3.26Å; R625-E641 IonicContact NH2-OE1 3.83Å; R625-E641 PolarHBondContact NH2-OE1 3.16Å; R625-E641 IonicContact NH2-OE2 3.35Å; H629-E641 IonicContact CE1-OE1 3.28Å; H629-E641 IonicContact NE2-OE1 2.82Å; H629-E641 PolarHBondContact NE2-OE1 3.27Å; H629-E641 VanDerWaalsContact NE2-OE1 3.17Å; C639-E641 PolarHBondContact SG-O 2.84Å; C639-E641 VanDerWaalsContact SG-O 3.34Å | ||
| 642 | P | 97.2 | Very high | 95 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -80.5 | -21 | -174.1 | 30.1 | -33.1 | 0 | 0 | 0 | 113.2 | Y583 V607 R625 A628 | Y583-P642 HydrophobicContact CD2-CB 4.18Å; Y583-P642 HydrophobicContact CE1-CB 3.96Å; Y583-P642 HydrophobicContact CE1-CG 4.47Å; Y583-P642 HydrophobicContact CE2-CB 3.52Å; V607-P642 WeakPolarHBondContact CB-O 3.41Å; V607-P642 PolarHBondContact N-O 2.91Å; R625-P642 HydrophobicContact CG-CG 4.4Å; A628-P642 HydrophobicContact CB-CB 3.87Å; A628-P642 HydrophobicContact CB-CG 3.73Å |
| 643 | F | 97.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 121.9 | -178.1 | -26.2 | -72.3 | 0 | 0 | 0 | 111.4 | W237 Y583 V607 Y610 L621 A624 | W237-F643 AromaticContact CH2-CD2 3.99Å; W237-F643 HydrophobicContact CH2-CD2 3.99Å; W237-F643 HydrophobicContact CZ2-CB 3.97Å; W237-F643 AromaticContact CZ2-CD2 3.95Å; W237-F643 HydrophobicContact CZ2-CD2 3.95Å; W237-F643 HydrophobicContact CZ2-CG 4.46Å; W237-F643 PolarHBondContact NE1-O 3.35Å; Y583-F643 AromaticContact CD1-CE1 3.62Å; Y583-F643 HydrophobicContact CD1-CE1 3.62Å; Y583-F643 AromaticContact CD1-CZ 3.86Å; Y583-F643 HydrophobicContact CD1-CZ 3.86Å; Y583-F643 HydrophobicContact CE1-CE1 4.11Å; Y583-F643 HydrophobicContact CE1-CZ 4.03Å; Y583-F643 AromaticContact CG-CE1 3.91Å; Y583-F643 HydrophobicContact CG-CE1 3.91Å; V607-F643 HydrophobicContact CB-CB 4.45Å; V607-F643 HydrophobicContact CB-CD1 3.91Å; V607-F643 HydrophobicContact CG1-CD1 4.46Å; V607-F643 HydrophobicContact CG2-CD1 3.88Å; V607-F643 HydrophobicContact CG2-CE1 4.37Å; Y610-F643 HydrophobicContact CD1-CB 4.49Å; Y610-F643 AromaticContact CD1-CD1 3.91Å; Y610-F643 HydrophobicContact CD1-CD1 3.91Å; Y610-F643 AromaticContact CD1-CD2 3.76Å; Y610-F643 HydrophobicContact CD1-CD2 3.76Å; Y610-F643 HydrophobicContact CD1-CE1 4.01Å; Y610-F643 AromaticContact CD1-CE2 3.86Å; Y610-F643 HydrophobicContact CD1-CE2 3.86Å; Y610-F643 AromaticContact CD1-CG 3.79Å; Y610-F643 HydrophobicContact CD1-CG 3.79Å; Y610-F643 AromaticContact CD1-CZ 3.99Å; Y610-F643 HydrophobicContact CD1-CZ 3.99Å; Y610-F643 HydrophobicContact CD2-CD1 4.09Å; Y610-F643 HydrophobicContact CD2-CE1 4.14Å; Y610-F643 HydrophobicContact CE1-CD1 4.46Å; Y610-F643 HydrophobicContact CE1-CD2 4.28Å; Y610-F643 HydrophobicContact CE1-CE1 4.1Å; Y610-F643 AromaticContact CE1-CE2 3.89Å; Y610-F643 HydrophobicContact CE1-CE2 3.89Å; Y610-F643 AromaticContact CE1-CZ 3.8Å; Y610-F643 HydrophobicContact CE1-CZ 3.8Å; Y610-F643 HydrophobicContact CE2-CE1 4.23Å; Y610-F643 HydrophobicContact CG-CB 4.33Å; Y610-F643 AromaticContact CG-CD1 3.71Å; Y610-F643 HydrophobicContact CG-CD1 3.71Å; Y610-F643 HydrophobicContact CG-CD2 4.32Å; Y610-F643 HydrophobicContact CG-CE1 4.04Å; Y610-F643 AromaticContact CG-CG 3.87Å; Y610-F643 HydrophobicContact CG-CG 3.87Å; Y610-F643 HydrophobicContact CG-CZ 4.48Å; L621-F643 HydrophobicContact CD2-CD2 4.03Å; L621-F643 HydrophobicContact CD2-CE2 3.72Å; A624-F643 HydrophobicContact CB-CE2 3.91Å; A624-F643 HydrophobicContact CB-CZ 3.79Å |
| 644 | K | 95.4 | Very high | 94.6 | Very high | 92 Ų | 92 | 32.2 Ų | 32.2 | 40% | 0.4 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | -56.8 | -178.7 | -170.7 | 179.9 | -177.2 | 177.4 | 0 | 110.6 | N235 W237 P606 V607 | N235-K644 WeakPolarHBondContact CB-O 3.35Å; W237-K644 PolarHBondContact NE1-O 2.94Å; P606-K644 HydrophobicContact CB-CB 4.38Å; P606-K644 HydrophobicContact CG-CB 4.01Å; V607-K644 WeakPolarHBondContact O-CB 3.24Å; V607-K644 PolarHBondContact O-N 3.44Å |
| 645 | R | 95.3 | Very high | 94.4 | Very high | 44 Ų | 44 | 32.7 Ų | 32.7 | 17% | 0.166 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 141.9 | 178.2 | -60.2 | 166.7 | 71 | 178.9 | -6.3 | 110.3 | N235 D608 Y610 D807 D808 F810 | N235-R645 HydrophobicContact CB-CG 4.03Å; N235-R645 WeakPolarHBondContact O-CA 3.24Å; D608-R645 WeakPolarHBondContact O-CB 3.36Å; D608-R645 PolarHBondContact O-N 2.94Å; Y610-R645 PolarHBondContact N-O 2.95Å; R645-D807 PolarHBondContact NH1-O 2.79Å; R645-D807 PolarHBondContact NH2-O 2.59Å; R645-D808 PolarHBondContact NH2-O 3.16Å; R645-F810 HydrophobicContact CB-CE2 4.28Å; R645-F810 VanDerWaalsContact NE-CE2 3.33Å; R645-F810 VanDerWaalsContact NH1-CZ 3.32Å |
| 646 | F | 94.6 | Very high | 94.4 | Very high | 2 Ų | 2 | 27.9 Ų | 27.9 | 1% | 0.009 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 128.3 | 174 | 179.5 | -109.9 | 0 | 0 | 0 | 110.5 | M61 W237 V240 Y610 L614 L621 P648 | M61-F646 HydrophobicContact CE-CE2 3.98Å; M61-F646 HydrophobicContact CE-CZ 4.37Å; W237-F646 HydrophobicContact CD2-CB 3.82Å; W237-F646 HydrophobicContact CE3-CB 4.43Å; W237-F646 HydrophobicContact CG-CB 4.16Å; W237-F646 HydrophobicContact CZ2-CB 4.07Å; V240-F646 HydrophobicContact CG2-CD1 3.52Å; V240-F646 HydrophobicContact CG2-CE1 3.5Å; Y610-F646 AromaticContact CD1-CD2 3.92Å; Y610-F646 HydrophobicContact CD1-CD2 3.92Å; Y610-F646 HydrophobicContact CD1-CE2 4.16Å; Y610-F646 CarbonylContact O-C 3.5Å; Y610-F646 WeakPolarHBondContact O-CA 3.32Å; Y610-F646 VanDerWaalsContact O-CD2 3.25Å; Y610-F646 WeakPolarHBondContact O-CD2 3.38Å; L614-F646 HydrophobicContact CD2-CE1 4.26Å; L621-F646 HydrophobicContact CD1-CD1 4.33Å; L621-F646 HydrophobicContact CD1-CD2 4.1Å; L621-F646 HydrophobicContact CD1-CE1 4.04Å; L621-F646 HydrophobicContact CD1-CE2 3.82Å; L621-F646 HydrophobicContact CD1-CG 4.35Å; L621-F646 HydrophobicContact CD1-CZ 3.79Å; L621-F646 HydrophobicContact CD2-CD2 4.42Å; L621-F646 HydrophobicContact CD2-CE2 4.37Å; F646-P648 HydrophobicContact CD1-CB 4.46Å; F646-P648 HydrophobicContact CE1-CB 3.83Å; F646-P648 HydrophobicContact CE1-CG 4.41Å; F646-P648 WeakPolarHBondContact O-CD 3.29Å |
| 647 | L | 93.5 | Very high | 94.4 | Very high | 7 Ų | 7 | 27.3 Ų | 27.3 | 4% | 0.037 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 100.6 | 175.5 | -178.8 | 58.3 | 0 | 0 | 0 | 109.9 | V79 L83 Y610 I611 G612 V649 P731 F810 | V79-L647 HydrophobicContact CG1-CD2 3.49Å; V79-L647 VanDerWaalsContact CG1-CD2 3.49Å; L83-L647 HydrophobicContact CD1-CD2 3.91Å; Y610-L647 PolarHBondContact O-N 3.09Å; I611-L647 HydrophobicContact CG1-CB 4.17Å; I611-L647 HydrophobicContact CG1-CD2 4.41Å; G612-L647 PolarHBondContact N-O 3.15Å; L647-V649 PolarHBondContact O-N 3.12Å; L647-P731 HydrophobicContact CD1-CB 3.89Å; L647-P731 HydrophobicContact CD1-CG 3.95Å; L647-F810 HydrophobicContact CB-CD2 4.43Å; L647-F810 HydrophobicContact CD1-CB 3.99Å; L647-F810 HydrophobicContact CD1-CD2 4.44Å; L647-F810 HydrophobicContact CD2-CB 3.67Å; L647-F810 HydrophobicContact CD2-CD2 4.32Å; L647-F810 HydrophobicContact CD2-CG 4.29Å; L647-F810 HydrophobicContact CG-CB 4.42Å |
| 648 | P | 92.3 | Very high | 94.2 | Very high | 15 Ų | 15 | 28.5 Ų | 28.5 | 10% | 0.097 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 123.9 | 173.6 | 26.5 | -32.2 | 0 | 0 | 0 | 110.6 | G612 L614 F646 P731 H732 | G612-P648 CarbonylContact O-C 3.26Å; G612-P648 WeakPolarHBondContact O-CA 3.39Å; L614-P648 HydrophobicContact CD1-CB 4.01Å; L614-P648 HydrophobicContact CD2-CB 3.82Å; L614-P648 HydrophobicContact CG-CB 3.58Å; F646-P648 HydrophobicContact CD1-CB 4.46Å; F646-P648 HydrophobicContact CE1-CB 3.83Å; F646-P648 HydrophobicContact CE1-CG 4.41Å; F646-P648 WeakPolarHBondContact O-CD 3.29Å; P648-P731 CarbonylContact O-C 3.5Å; P648-H732 HydrophobicContact CG-CB 4.32Å; P648-H732 WeakPolarHBondContact O-CA 3.5Å; P648-H732 PolarHBondContact O-N 3.16Å |
| 649 | V | 92.1 | Very high | 94.1 | Very high | 8 Ų | 8 | 26.5 Ų | 26.5 | 5% | 0.048 | 13% | 0.128 | C | C | . | . | P | Polyproline II helix | trans | -103.3 | 119.1 | 173.2 | -177.9 | 0 | 0 | 0 | 0 | 109 | R75 V76 I611 G612 L647 P731 | R75-V649 HydrophobicContact CG-CG1 3.87Å; V76-V649 HydrophobicContact CG2-CB 4.12Å; V76-V649 HydrophobicContact CG2-CG1 3.97Å; I611-V649 HydrophobicContact CG2-CG2 3.56Å; G612-V649 PolarHBondContact O-N 2.68Å; L647-V649 PolarHBondContact O-N 3.12Å; V649-P731 CarbonylContact C-O 3.6Å; V649-P731 WeakPolarHBondContact CA-O 3.31Å |
| 650 | G | 90.2 | Very high | 93.8 | Very high | 10 Ų | 10 | 28.8 Ų | 28.8 | 10% | 0.103 | 14% | 0.142 | C | C | . | . | P | Polyproline II helix | trans | -65.7 | 149.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | R75 P731 H732 | R75-G650 PolarHBondContact NH1-O 3.33Å; G650-P731 PolarHBondContact N-O 2.7Å; G650-H732 WeakPolarHBondContact CA-O 3.49Å |
| 651 | L | 91.5 | Very high | 93.5 | Very high | 58 Ų | 58 | 31.4 Ų | 31.4 | 30% | 0.304 | 16% | 0.159 | S | C | . | . | P | Polyproline II helix | trans | -61.9 | 147.2 | -175.8 | -60.9 | 173.1 | 0 | 0 | 0 | 111.8 | L653 K698 S734 R735 | L651-L653 HydrophobicContact CB-CD2 3.99Å; L651-K698 HydrophobicContact CD1-CB 4.17Å; L651-K698 HydrophobicContact CD1-CD 4.09Å; L651-K698 HydrophobicContact CD1-CG 4.25Å; L651-K698 HydrophobicContact CD2-CD 3.84Å; L651-K698 HydrophobicContact CD2-CG 4.16Å; L651-S734 CarbonylContact O-C 3.59Å; L651-S734 WeakPolarHBondContact O-CA 3.21Å; L651-R735 PolarHBondContact O-N 3.33Å |
| 652 | V | 92.8 | Very high | 93.1 | Very high | 5 Ų | 5 | 34.2 Ų | 34.2 | 3% | 0.03 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 122.7 | 163.2 | -176.9 | 0 | 0 | 0 | 0 | 107.4 | M71 R75 M699 I725 R735 W737 | M71-V652 HydrophobicContact CB-CG1 4.17Å; R75-V652 HydrophobicContact CB-CG2 3.84Å; R75-V652 HydrophobicContact CG-CG2 4.34Å; V652-M699 HydrophobicContact CB-SD 4.39Å; V652-M699 HydrophobicContact CG1-CE 3.84Å; V652-M699 HydrophobicContact CG1-SD 3.82Å; V652-M699 PolarHBondContact O-N 2.73Å; V652-M699 VanDerWaalsContact O-N 3.14Å; V652-I725 HydrophobicContact CG2-CD1 4.05Å; V652-R735 CarbonylContact C-O 3.6Å; V652-R735 WeakPolarHBondContact CA-O 3.29Å; V652-W737 HydrophobicContact CG1-CB 3.87Å |
| 653 | L | 93.8 | Very high | 92.5 | Very high | 28 Ų | 28 | 36.1 Ų | 36.1 | 15% | 0.147 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 130.1 | -178.2 | -50.3 | -179.2 | 0 | 0 | 0 | 109.5 | L651 W696 D697 R735 K736 W737 | L651-L653 HydrophobicContact CB-CD2 3.99Å; L653-W696 HydrophobicContact CB-CB 4.36Å; L653-W696 HydrophobicContact CB-CE3 4.07Å; L653-W696 HydrophobicContact CD1-CB 4.32Å; L653-W696 WeakPolarHBondContact O-CZ3 3.49Å; L653-D697 CarbonylContact C-O 3.53Å; L653-D697 WeakPolarHBondContact CA-O 3.35Å; L653-R735 PolarHBondContact N-O 3.02Å; L653-K736 HydrophobicContact CD1-CG 4.36Å; L653-W737 PolarHBondContact O-N 3.4Å |
| 654 | G | 92.4 | Very high | 92.2 | Very high | 2 Ų | 2 | 41.7 Ų | 41.7 | 2% | 0.021 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 155.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | T656 D697 | G654-T656 PolarHBondContact O-N 2.68Å; G654-T656 PolarHBondContact O-OG1 3.25Å; G654-D697 PolarHBondContact N-O 3.35Å; G654-D697 PolarHBondContact O-N 3.1Å; G654-D697 VanDerWaalsContact O-N 3.16Å |
| 655 | Q | 93.3 | Very high | 92.1 | Very high | 67 Ų | 67 | 40 Ų | 40 | 31% | 0.313 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 122.2 | 167.6 | -65.6 | -177.1 | -52 | 0 | 0 | 108.5 | Y657 M694 W696 N705 | Q655-Y657 HydrophobicContact CB-CE2 4.1Å; Q655-Y657 PolarHBondContact OE1-OH 3.13Å; Q655-M694 HydrophobicContact CB-CG 4.46Å; Q655-M694 HydrophobicContact CG-SD 4.4Å; Q655-W696 HydrophobicContact CG-CD2 4.4Å; Q655-W696 HydrophobicContact CG-CE3 4.23Å; Q655-W696 HydrophobicContact CG-CH2 3.54Å; Q655-W696 HydrophobicContact CG-CZ2 3.71Å; Q655-W696 HydrophobicContact CG-CZ3 3.81Å; Q655-N705 WeakPolarHBondContact O-CB 3.48Å |
| 656 | T | 94.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 131.5 | -174.7 | -50.8 | 0 | 0 | 0 | 0 | 108.6 | G654 F665 M694 Y695 D697 K703 N705 | G654-T656 PolarHBondContact O-N 2.68Å; G654-T656 PolarHBondContact O-OG1 3.25Å; T656-F665 HydrophobicContact CG2-CD1 3.73Å; T656-F665 HydrophobicContact CG2-CE1 3.66Å; T656-M694 WeakPolarHBondContact O-CA 3.48Å; T656-Y695 HydrophobicContact CG2-CE1 4.15Å; T656-Y695 HydrophobicContact CG2-CE2 4.35Å; T656-Y695 PolarHBondContact N-O 3.41Å; T656-Y695 PolarHBondContact O-N 2.99Å; T656-D697 WeakPolarHBondContact OG1-CB 3.45Å; T656-K703 HydrophobicContact CG2-CB 4.14Å; T656-N705 PolarHBondContact OG1-ND2 2.86Å |
| 657 | Y | 95.3 | Very high | 91.8 | Very high | 12 Ų | 12 | 39 Ų | 39 | 5% | 0.047 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 131.7 | -176.8 | -55.7 | -81 | 0 | 0 | 0 | 109.9 | Q655 F665 I666 T668 V671 Y683 V692 Q693 M694 | Q655-Y657 HydrophobicContact CB-CE2 4.1Å; Q655-Y657 PolarHBondContact OE1-OH 3.13Å; Y657-F665 WeakPolarHBondContact O-CA 3.47Å; Y657-I666 PolarHBondContact O-N 3.29Å; Y657-T668 HydrophobicContact CE2-CG2 3.96Å; Y657-V671 HydrophobicContact CD1-CB 4.24Å; Y657-V671 HydrophobicContact CD1-CG1 3.7Å; Y657-V671 HydrophobicContact CD1-CG2 4.09Å; Y657-V671 HydrophobicContact CD2-CB 4.25Å; Y657-V671 HydrophobicContact CD2-CG2 3.92Å; Y657-V671 HydrophobicContact CE1-CB 4.33Å; Y657-V671 HydrophobicContact CE1-CG1 3.68Å; Y657-V671 HydrophobicContact CE2-CB 4.37Å; Y657-V671 HydrophobicContact CG-CB 4.18Å; Y657-V671 HydrophobicContact CG-CG1 4.14Å; Y657-V671 HydrophobicContact CG-CG2 3.67Å; Y657-Y683 HydrophobicContact CD1-CD1 4.47Å; Y657-Y683 HydrophobicContact CD1-CG 4.49Å; Y657-Y683 AromaticContact CE1-CD1 3.6Å; Y657-Y683 HydrophobicContact CE1-CD1 3.6Å; Y657-Y683 HydrophobicContact CE1-CE1 4.02Å; Y657-Y683 AromaticContact CE1-CG 3.99Å; Y657-Y683 HydrophobicContact CE1-CG 3.99Å; Y657-V692 HydrophobicContact CD1-CG2 4.05Å; Y657-Q693 WeakPolarHBondContact CA-O 3.5Å; Y657-M694 HydrophobicContact CD1-CB 3.82Å; Y657-M694 HydrophobicContact CD1-CG 3.9Å; Y657-M694 HydrophobicContact CE1-CB 3.71Å; Y657-M694 HydrophobicContact CE1-CG 3.42Å; Y657-M694 VanDerWaalsContact CE1-CG 3.42Å |
| 658 | I | 94 | Very high | 91.6 | Very high | 31 Ų | 31 | 41.3 Ų | 41.3 | 16% | 0.159 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 137.4 | 179.5 | -164.6 | 170.4 | 0 | 0 | 0 | 109.5 | P660 G663 R664 F665 Q693 Y695 | I658-P660 WeakPolarHBondContact O-CD 3.36Å; I658-G663 WeakPolarHBondContact CD1-O 3.31Å; I658-G663 WeakPolarHBondContact CG1-O 3.28Å; I658-R664 WeakPolarHBondContact CA-O 3.49Å; I658-F665 HydrophobicContact CD1-CE1 4.46Å; I658-Q693 HydrophobicContact CG2-CB 3.87Å; I658-Q693 HydrophobicContact CG2-CG 4.48Å; I658-Q693 PolarHBondContact N-O 2.94Å; I658-Q693 PolarHBondContact O-N 3.44Å; I658-Y695 HydrophobicContact CB-CE1 4.27Å; I658-Y695 HydrophobicContact CG2-CD1 4.43Å; I658-Y695 HydrophobicContact CG2-CE1 3.85Å |
| 659 | D | 91.6 | Very high | 91.4 | Very high | 21 Ų | 21 | 47.4 Ų | 47.4 | 11% | 0.112 | 26% | 0.255 | C | S | . | . | trans | -70.8 | 116.6 | 165.4 | 173.3 | -3.2 | 0 | 0 | 0 | 108.3 | Q661 S662 G663 R664 I666 | D659-Q661 PolarHBondContact O-N 3.01Å; D659-Q661 WeakPolarHBondContact OD1-CB 3.34Å; D659-Q661 PolarHBondContact OD1-N 2.87Å; D659-S662 WeakPolarHBondContact CB-OG 3.33Å; D659-S662 PolarHBondContact O-N 3.29Å; D659-S662 PolarHBondContact OD1-N 2.98Å; D659-S662 WeakPolarHBondContact OD2-CB 3.25Å; D659-S662 PolarHBondContact OD2-OG 2.93Å; D659-G663 VanDerWaalsContact O-CA 3.31Å; D659-G663 WeakPolarHBondContact O-CA 3.3Å; D659-G663 PolarHBondContact O-N 3.34Å; D659-R664 PolarHBondContact N-O 3.48Å; D659-I666 HydrophobicContact CB-CD1 4.22Å | ||
| 660 | P | 89.9 | Confident | 91.5 | Very high | 79 Ų | 79 | 49.9 Ų | 49.9 | 51% | 0.513 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -19.8 | -176.3 | 28.4 | -35.4 | 0 | 0 | 0 | 113.4 | I658 | I658-P660 WeakPolarHBondContact O-CD 3.36Š|
| 661 | Q | 88.7 | Confident | 91.7 | Very high | 163 Ų | 163 | 50.3 Ų | 50.3 | 76% | 0.762 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -45.3 | 179 | -64.5 | -176.5 | -6.8 | 0 | 0 | 111.7 | D659 | D659-Q661 PolarHBondContact O-N 3.01Å; D659-Q661 WeakPolarHBondContact OD1-CB 3.34Å; D659-Q661 PolarHBondContact OD1-N 2.87Å |
| 662 | S | 88.9 | Confident | 91.8 | Very high | 74 Ų | 74 | 51 Ų | 51 | 52% | 0.517 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | -17.1 | -175 | 66.8 | 0 | 0 | 0 | 0 | 114.3 | D659 R664 | D659-S662 WeakPolarHBondContact CB-OG 3.33Å; D659-S662 PolarHBondContact O-N 3.29Å; D659-S662 PolarHBondContact OD1-N 2.98Å; D659-S662 WeakPolarHBondContact OD2-CB 3.25Å; D659-S662 PolarHBondContact OD2-OG 2.93Å; S662-R664 PolarHBondContact O-N 3.48Å; S662-R664 VanDerWaalsContact OG-CB 3.26Å; S662-R664 WeakPolarHBondContact OG-CB 3.34Å; S662-R664 PolarHBondContact OG-N 2.92Å |
| 663 | G | 85.7 | Confident | 91.8 | Very high | 40 Ų | 40 | 55.6 Ų | 55.6 | 41% | 0.412 | 29% | 0.292 | S | S | . | . | trans | 71.1 | 6.1 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | I658 D659 | I658-G663 WeakPolarHBondContact CD1-O 3.31Å; I658-G663 WeakPolarHBondContact CG1-O 3.28Å; D659-G663 VanDerWaalsContact O-CA 3.31Å; D659-G663 WeakPolarHBondContact O-CA 3.3Å; D659-G663 PolarHBondContact O-N 3.34Å | ||
| 664 | R | 90.4 | Very high | 91.7 | Very high | 117 Ų | 117 | 61.8 Ų | 61.8 | 44% | 0.442 | 31% | 0.313 | S | S | . | . | trans | -71.7 | 131.7 | -179.3 | -175.3 | -176.3 | 65.7 | 110.5 | -0.7 | 110.7 | I658 D659 S662 E685 | I658-R664 WeakPolarHBondContact CA-O 3.49Å; D659-R664 PolarHBondContact N-O 3.48Å; S662-R664 PolarHBondContact O-N 3.48Å; S662-R664 VanDerWaalsContact OG-CB 3.26Å; S662-R664 WeakPolarHBondContact OG-CB 3.34Å; S662-R664 PolarHBondContact OG-N 2.92Å; R664-E685 IonicContact CZ-OE1 3.47Å; R664-E685 IonicContact NH1-OE1 2.63Å; R664-E685 VanDerWaalsContact NH2-CD 3.28Å; R664-E685 IonicContact NH2-OE1 3.34Å; R664-E685 PolarHBondContact NH2-OE1 2.89Å; R664-E685 IonicContact NH2-OE2 2.98Å; R664-E685 PolarHBondContact NH2-OE2 2.9Å; R664-E685 VanDerWaalsContact NH2-OE2 3.15Å | ||
| 665 | F | 92 | Very high | 91.7 | Very high | 58 Ų | 58 | 67.9 Ų | 67.9 | 25% | 0.254 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 140.4 | 169.6 | -68.1 | -72.1 | 0 | 0 | 0 | 111.6 | T656 Y657 I658 Y695 K703 L704 | T656-F665 HydrophobicContact CG2-CD1 3.73Å; T656-F665 HydrophobicContact CG2-CE1 3.66Å; Y657-F665 WeakPolarHBondContact O-CA 3.47Å; I658-F665 HydrophobicContact CD1-CE1 4.46Å; F665-Y695 WeakPolarHBondContact CE1-OH 3.46Å; F665-K703 HydrophobicContact CD1-CB 4.28Å; F665-K703 HydrophobicContact CE1-CB 4.22Å; F665-K703 HydrophobicContact CE1-CG 4.01Å; F665-K703 HydrophobicContact CE2-CG 4.28Å; F665-K703 HydrophobicContact CZ-CG 3.9Å; F665-L704 HydrophobicContact CB-CD1 4.13Å; F665-L704 HydrophobicContact CB-CG 4.45Å |
| 666 | I | 92.2 | Very high | 91.5 | Very high | 1 Ų | 1 | 69.5 Ų | 69.5 | 1% | 0.005 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 129.9 | -179.4 | -58.7 | 173.7 | 0 | 0 | 0 | 108.7 | Y657 D659 T668 N670 V671 E685 V692 | Y657-I666 PolarHBondContact O-N 3.29Å; D659-I666 HydrophobicContact CB-CD1 4.22Å; I666-T668 PolarHBondContact O-N 3.46Å; I666-N670 HydrophobicContact CG2-CB 4.05Å; I666-V671 HydrophobicContact CB-CG2 4.18Å; I666-V671 HydrophobicContact CG2-CG2 3.57Å; I666-E685 HydrophobicContact CD1-CB 4.18Å; I666-E685 HydrophobicContact CD1-CG 4.43Å; I666-E685 HydrophobicContact CG2-CG 4.22Å; I666-V692 HydrophobicContact CD1-CB 4.15Å; I666-V692 HydrophobicContact CD1-CG1 3.31Å |
| 667 | P | 92.2 | Very high | 91.3 | Very high | 24 Ų | 24 | 72.1 Ų | 72.1 | 16% | 0.156 | 37% | 0.365 | C | S | . | . | trans | -55.9 | 138.3 | 176 | -20.1 | 27.9 | 0 | 0 | 0 | 112 | Q669 N670 L704 | P667-Q669 VanDerWaalsContact CB-CD 3.48Å; P667-Q669 HydrophobicContact CB-CG 4.3Å; P667-Q669 PolarHBondContact O-N 3.23Å; P667-Q669 VanDerWaalsContact O-N 3.15Å; P667-N670 HydrophobicContact CB-CB 4.43Å; P667-N670 WeakPolarHBondContact O-CB 3.01Å; P667-N670 PolarHBondContact O-N 3.24Å; P667-L704 HydrophobicContact CG-CD1 3.98Å | ||
| 668 | T | 88.4 | Confident | 90.8 | Very high | 55 Ų | 55 | 80.7 Ų | 80.7 | 34% | 0.337 | 41% | 0.406 | S | S | . | . | G | 310 helix | trans | -52.6 | -38.8 | -179.9 | -57.6 | 0 | 0 | 0 | 0 | 112.9 | Y657 I666 N670 V671 | Y657-T668 HydrophobicContact CE2-CG2 3.96Å; I666-T668 PolarHBondContact O-N 3.46Å; T668-N670 PolarHBondContact O-N 2.82Å; T668-V671 PolarHBondContact O-N 3Å |
| 669 | Q | 89.3 | Confident | 90.4 | Very high | 142 Ų | 142 | 88.4 Ų | 88.4 | 66% | 0.664 | 44% | 0.438 | S | S | * | . | G | 310 helix | trans | -68.9 | -15.1 | 178.8 | 66.5 | -86.6 | 23.3 | 0 | 0 | 114.5 | P667 | P667-Q669 VanDerWaalsContact CB-CD 3.48Å; P667-Q669 HydrophobicContact CB-CG 4.3Å; P667-Q669 PolarHBondContact O-N 3.23Å; P667-Q669 VanDerWaalsContact O-N 3.15Å |
| 670 | N | 94.5 | Very high | 90.3 | Very high | 61 Ų | 61 | 93.4 Ų | 93.4 | 33% | 0.326 | 46% | 0.461 | S | S | . | . | G | 310 helix | trans | -98 | 5.7 | 179.2 | -70 | 9.1 | 0 | 0 | 0 | 112.3 | I666 P667 T668 I686 | I666-N670 HydrophobicContact CG2-CB 4.05Å; P667-N670 HydrophobicContact CB-CB 4.43Å; P667-N670 WeakPolarHBondContact O-CB 3.01Å; P667-N670 PolarHBondContact O-N 3.24Å; T668-N670 PolarHBondContact O-N 2.82Å; N670-I686 WeakPolarHBondContact O-CG1 3.34Å; N670-I686 PolarHBondContact O-N 2.81Å |
| 671 | V | 94.5 | Very high | 90.4 | Very high | 19 Ų | 19 | 92.5 Ų | 92.5 | 12% | 0.115 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 137 | 179.6 | 179.1 | 0 | 0 | 0 | 0 | 109.6 | Y657 I666 T668 Y683 Y684 V692 | Y657-V671 HydrophobicContact CD1-CB 4.24Å; Y657-V671 HydrophobicContact CD1-CG1 3.7Å; Y657-V671 HydrophobicContact CD1-CG2 4.09Å; Y657-V671 HydrophobicContact CD2-CB 4.25Å; Y657-V671 HydrophobicContact CD2-CG2 3.92Å; Y657-V671 HydrophobicContact CE1-CB 4.33Å; Y657-V671 HydrophobicContact CE1-CG1 3.68Å; Y657-V671 HydrophobicContact CE2-CB 4.37Å; Y657-V671 HydrophobicContact CG-CB 4.18Å; Y657-V671 HydrophobicContact CG-CG1 4.14Å; Y657-V671 HydrophobicContact CG-CG2 3.67Å; I666-V671 HydrophobicContact CB-CG2 4.18Å; I666-V671 HydrophobicContact CG2-CG2 3.57Å; T668-V671 PolarHBondContact O-N 3Å; V671-Y683 HydrophobicContact CG1-CD1 4.17Å; V671-Y684 WeakPolarHBondContact CA-O 3.29Å; V671-V692 HydrophobicContact CG1-CG2 3.77Å; V671-V692 HydrophobicContact CG2-CG2 4.16Å |
| 672 | D | 94.1 | Very high | 90.6 | Very high | 73 Ų | 73 | 88.2 Ų | 88.2 | 39% | 0.39 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 166.9 | 170.7 | -167.8 | 17 | 0 | 0 | 0 | 110.1 | Y683 Y684 I686 | D672-Y683 WeakPolarHBondContact O-CA 3.25Å; D672-Y684 HydrophobicContact CB-CE1 4.12Å; D672-Y684 HydrophobicContact CB-CE2 3.95Å; D672-Y684 PolarHBondContact N-O 3.22Å; D672-Y684 PolarHBondContact O-N 3.49Å; D672-Y684 PolarHBondContact OD2-OH 3.3Å; D672-I686 HydrophobicContact CB-CD1 4.27Å; D672-I686 HydrophobicContact CB-CG1 3.81Å |
| 673 | K | 92.9 | Very high | 91 | Very high | 101 Ų | 101 | 86.2 Ų | 86.2 | 44% | 0.439 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 139.1 | -174.1 | 59.7 | 175.6 | 176.2 | 172.2 | 0 | 112.1 | Y675 I681 E682 Y683 | K673-Y675 HydrophobicContact CD-CE2 4.17Å; K673-Y675 HydrophobicContact CG-CE2 4.47Å; K673-Y675 PolarHBondContact NZ-OH 3.19Å; K673-I681 HydrophobicContact CB-CG2 3.65Å; K673-I681 HydrophobicContact CD-CG2 4.34Å; K673-E682 CarbonylContact C-O 3.48Å; K673-E682 WeakPolarHBondContact CA-O 3.24Å; K673-Y683 HydrophobicContact CB-CD1 3.96Å; K673-Y683 HydrophobicContact CB-CE1 3.99Å |
| 674 | R | 91.6 | Very high | 91.4 | Very high | 157 Ų | 157 | 86.8 Ų | 86.8 | 59% | 0.592 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 129.9 | 172 | -173.7 | -179.6 | -173.6 | -179.1 | 2.8 | 109.3 | L676 E682 Y684 | R674-L676 PolarHBondContact O-N 3.39Å; R674-E682 PolarHBondContact N-O 2.83Å; R674-E682 PolarHBondContact O-N 3.39Å; R674-Y684 HydrophobicContact CB-CD1 4.42Å; R674-Y684 HydrophobicContact CB-CE1 4.07Å |
| 675 | Y | 91.7 | Very high | 91.7 | Very high | 131 Ų | 131 | 81.6 Ų | 81.6 | 51% | 0.514 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 115.9 | 174 | -68 | -93.2 | 0 | 0 | 0 | 109 | K673 I681 | K673-Y675 HydrophobicContact CD-CE2 4.17Å; K673-Y675 HydrophobicContact CG-CE2 4.47Å; K673-Y675 PolarHBondContact NZ-OH 3.19Å; Y675-I681 HydrophobicContact CD1-CD1 4.34Å; Y675-I681 HydrophobicContact CD1-CG1 3.87Å; Y675-I681 HydrophobicContact CE1-CD1 3.72Å; Y675-I681 HydrophobicContact CE1-CG1 3.77Å |
| 676 | L | 88.9 | Confident | 91.9 | Very high | 101 Ų | 101 | 82.4 Ų | 82.4 | 53% | 0.529 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -84.1 | -29.7 | 171 | -62.9 | 175 | 0 | 0 | 0 | 110.4 | R674 E680 E682 | R674-L676 PolarHBondContact O-N 3.39Å; L676-E680 HydrophobicContact CB-CB 4.22Å; L676-E680 PolarHBondContact N-O 2.83Å; L676-E682 HydrophobicContact CD1-CB 3.97Å; L676-E682 HydrophobicContact CG-CB 4.11Å |
| 677 | S | 90.7 | Very high | 91.9 | Very high | 55 Ų | 55 | 90.3 Ų | 90.3 | 39% | 0.385 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -152.9 | -176.6 | 170.9 | 68.6 | 0 | 0 | 0 | 0 | 110.2 | K679 E680 | S677-K679 PolarHBondContact O-N 2.77Å; S677-K679 PolarHBondContact OG-N 3.49Å; S677-E680 PolarHBondContact N-O 3.18Å; S677-E680 WeakPolarHBondContact OG-CB 3.26Å; S677-E680 PolarHBondContact OG-N 2.83Å |
| 678 | E | 83.6 | Confident | 92 | Very high | 192 Ų | 192 | 92.2 Ų | 92.2 | 90% | 0.897 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -59.5 | -24.5 | 173.3 | -74.1 | -171.9 | 160.8 | 0 | 0 | 113.6 | ||
| 679 | K | 86.3 | Confident | 92.2 | Very high | 193 Ų | 193 | 95.9 Ų | 95.9 | 84% | 0.839 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -113 | -25.2 | -175.8 | -66.5 | -175.6 | -179 | 177 | 0 | 113.9 | S677 | S677-K679 PolarHBondContact O-N 2.77Å; S677-K679 PolarHBondContact OG-N 3.49Å |
| 680 | E | 89.5 | Confident | 92.3 | Very high | 125 Ų | 125 | 94.1 Ų | 94.1 | 58% | 0.584 | 44% | 0.439 | S | S | * | . | trans | -99.5 | 124 | -179.7 | -75.6 | -174.5 | 151.7 | 0 | 0 | 111.7 | L676 S677 | L676-E680 HydrophobicContact CB-CB 4.22Å; L676-E680 PolarHBondContact N-O 2.83Å; S677-E680 PolarHBondContact N-O 3.18Å; S677-E680 WeakPolarHBondContact OG-CB 3.26Å; S677-E680 PolarHBondContact OG-N 2.83Å | ||
| 681 | I | 92 | Very high | 92.4 | Very high | 60 Ų | 60 | 94.8 Ų | 94.8 | 31% | 0.308 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 121.5 | 178.7 | -54.9 | 177.5 | 0 | 0 | 0 | 107.3 | K673 Y675 Y683 | K673-I681 HydrophobicContact CB-CG2 3.65Å; K673-I681 HydrophobicContact CD-CG2 4.34Å; Y675-I681 HydrophobicContact CD1-CD1 4.34Å; Y675-I681 HydrophobicContact CD1-CG1 3.87Å; Y675-I681 HydrophobicContact CE1-CD1 3.72Å; Y675-I681 HydrophobicContact CE1-CG1 3.77Å; I681-Y683 HydrophobicContact CB-CE2 4.21Å; I681-Y683 HydrophobicContact CG2-CD2 4.43Å; I681-Y683 HydrophobicContact CG2-CE1 4.01Å; I681-Y683 HydrophobicContact CG2-CE2 3.9Å |
| 682 | E | 93.9 | Very high | 92.4 | Very high | 73 Ų | 73 | 94.5 Ų | 94.5 | 34% | 0.341 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 135 | 167.4 | -178.3 | 178.8 | -120.9 | 0 | 0 | 108.9 | K673 R674 L676 | K673-E682 CarbonylContact C-O 3.48Å; K673-E682 WeakPolarHBondContact CA-O 3.24Å; R674-E682 PolarHBondContact N-O 2.83Å; R674-E682 PolarHBondContact O-N 3.39Å; L676-E682 HydrophobicContact CD1-CB 3.97Å; L676-E682 HydrophobicContact CG-CB 4.11Å |
| 683 | Y | 96 | Very high | 92.4 | Very high | 33 Ų | 33 | 96.4 Ų | 96.4 | 13% | 0.129 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 142.3 | 174.6 | -61.2 | -87.7 | 0 | 0 | 0 | 109 | Y657 V671 D672 K673 I681 P691 V692 M694 | Y657-Y683 HydrophobicContact CD1-CD1 4.47Å; Y657-Y683 HydrophobicContact CD1-CG 4.49Å; Y657-Y683 AromaticContact CE1-CD1 3.6Å; Y657-Y683 HydrophobicContact CE1-CD1 3.6Å; Y657-Y683 HydrophobicContact CE1-CE1 4.02Å; Y657-Y683 AromaticContact CE1-CG 3.99Å; Y657-Y683 HydrophobicContact CE1-CG 3.99Å; V671-Y683 HydrophobicContact CG1-CD1 4.17Å; D672-Y683 WeakPolarHBondContact O-CA 3.25Å; K673-Y683 HydrophobicContact CB-CD1 3.96Å; K673-Y683 HydrophobicContact CB-CE1 3.99Å; I681-Y683 HydrophobicContact CB-CE2 4.21Å; I681-Y683 HydrophobicContact CG2-CD2 4.43Å; I681-Y683 HydrophobicContact CG2-CE1 4.01Å; I681-Y683 HydrophobicContact CG2-CE2 3.9Å; Y683-P691 CarbonylContact O-C 3.57Å; Y683-P691 WeakPolarHBondContact O-CA 3.48Å; Y683-V692 PolarHBondContact O-N 3.49Å; Y683-M694 HydrophobicContact CD2-CB 3.55Å; Y683-M694 HydrophobicContact CD2-CG 4.37Å; Y683-M694 HydrophobicContact CE1-CG 4.48Å; Y683-M694 HydrophobicContact CE2-CB 3.64Å; Y683-M694 HydrophobicContact CE2-CE 3.77Å; Y683-M694 HydrophobicContact CE2-CG 4.08Å; Y683-M694 HydrophobicContact CG-CB 4.06Å |
| 684 | Y | 95.7 | Very high | 92.5 | Very high | 52 Ų | 52 | 94 Ų | 94 | 20% | 0.204 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 149.1 | 178.4 | 62.8 | -86.3 | 0 | 0 | 0 | 111.7 | V671 D672 R674 K689 K690 | V671-Y684 WeakPolarHBondContact CA-O 3.29Å; D672-Y684 HydrophobicContact CB-CE1 4.12Å; D672-Y684 HydrophobicContact CB-CE2 3.95Å; D672-Y684 PolarHBondContact N-O 3.22Å; D672-Y684 PolarHBondContact O-N 3.49Å; D672-Y684 PolarHBondContact OD2-OH 3.3Å; R674-Y684 HydrophobicContact CB-CD1 4.42Å; R674-Y684 HydrophobicContact CB-CE1 4.07Å; Y684-K689 HydrophobicContact CD2-CD 4.18Å; Y684-K689 HydrophobicContact CE2-CD 4.14Å; Y684-K690 CarbonylContact C-O 3.56Å; Y684-K690 WeakPolarHBondContact CA-O 3.48Å; Y684-K690 WeakPolarHBondContact CB-O 3.44Å |
| 685 | E | 95.9 | Very high | 92.6 | Very high | 8 Ų | 8 | 90 Ų | 90 | 4% | 0.037 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 128.7 | 173.4 | -177 | 174.2 | -140.6 | 0 | 0 | 109.5 | R664 I666 E687 T688 K689 K690 V692 | R664-E685 IonicContact CZ-OE1 3.47Å; R664-E685 IonicContact NH1-OE1 2.63Å; R664-E685 VanDerWaalsContact NH2-CD 3.28Å; R664-E685 IonicContact NH2-OE1 3.34Å; R664-E685 PolarHBondContact NH2-OE1 2.89Å; R664-E685 IonicContact NH2-OE2 2.98Å; R664-E685 PolarHBondContact NH2-OE2 2.9Å; R664-E685 VanDerWaalsContact NH2-OE2 3.15Å; I666-E685 HydrophobicContact CD1-CB 4.18Å; I666-E685 HydrophobicContact CD1-CG 4.43Å; I666-E685 HydrophobicContact CG2-CG 4.22Å; E685-E687 VanDerWaalsContact C-N 3.29Å; E685-E687 PolarHBondContact O-N 2.75Å; E685-T688 WeakPolarHBondContact CB-OG1 3.49Å; E685-T688 WeakPolarHBondContact OE2-CG2 3.41Å; E685-T688 PolarHBondContact OE2-OG1 3.45Å; E685-K689 WeakPolarHBondContact O-CA 3.45Å; E685-K689 PolarHBondContact O-N 2.81Å; E685-K690 PolarHBondContact N-O 3.32Å; E685-V692 HydrophobicContact CB-CG1 3.96Å |
| 686 | I | 95.7 | Very high | 92.7 | Very high | 75 Ų | 75 | 87.3 Ų | 87.3 | 39% | 0.385 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -41.8 | -172.5 | -68.2 | 171 | 0 | 0 | 0 | 111.5 | N670 D672 K689 | N670-I686 WeakPolarHBondContact O-CG1 3.34Å; N670-I686 PolarHBondContact O-N 2.81Å; D672-I686 HydrophobicContact CB-CD1 4.27Å; D672-I686 HydrophobicContact CB-CG1 3.81Å; I686-K689 WeakPolarHBondContact O-CD 3.41Å; I686-K689 WeakPolarHBondContact O-CE 3.21Å; I686-K689 PolarHBondContact O-NZ 2.95Å |
| 687 | E | 93.5 | Very high | 92.8 | Very high | 167 Ų | 167 | 84.3 Ų | 84.3 | 78% | 0.78 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -51.3 | -174 | -173.3 | 175.9 | -176.9 | 0 | 0 | 112 | E685 | E685-E687 VanDerWaalsContact C-N 3.29Å; E685-E687 PolarHBondContact O-N 2.75Å |
| 688 | T | 92.6 | Very high | 92.8 | Very high | 63 Ų | 63 | 85.4 Ų | 85.4 | 39% | 0.387 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -13.6 | -174.7 | 64.8 | 0 | 0 | 0 | 0 | 113.2 | E685 K690 | E685-T688 WeakPolarHBondContact CB-OG1 3.49Å; E685-T688 WeakPolarHBondContact OE2-CG2 3.41Å; E685-T688 PolarHBondContact OE2-OG1 3.45Å; T688-K690 PolarHBondContact O-N 3.24Å; T688-K690 VanDerWaalsContact O-N 3.08Å; T688-K690 PolarHBondContact OG1-N 2.82Å |
| 689 | K | 92.8 | Very high | 93.1 | Very high | 132 Ų | 132 | 76.3 Ų | 76.3 | 57% | 0.574 | 36% | 0.356 | S | S | * | . | trans | 55.1 | 17.7 | -170.5 | -55.9 | -58 | -175.1 | -160.6 | 0 | 113.8 | Y684 E685 I686 | Y684-K689 HydrophobicContact CD2-CD 4.18Å; Y684-K689 HydrophobicContact CE2-CD 4.14Å; E685-K689 WeakPolarHBondContact O-CA 3.45Å; E685-K689 PolarHBondContact O-N 2.81Å; I686-K689 WeakPolarHBondContact O-CD 3.41Å; I686-K689 WeakPolarHBondContact O-CE 3.21Å; I686-K689 PolarHBondContact O-NZ 2.95Å | ||
| 690 | K | 92.9 | Very high | 93 | Very high | 105 Ų | 105 | 68.2 Ų | 68.2 | 46% | 0.457 | 32% | 0.324 | S | S | . | . | trans | -82.7 | 144.9 | 177.6 | -69.4 | -176.4 | 177.3 | -175.1 | 0 | 110.6 | Y684 E685 T688 | Y684-K690 CarbonylContact C-O 3.56Å; Y684-K690 WeakPolarHBondContact CA-O 3.48Å; Y684-K690 WeakPolarHBondContact CB-O 3.44Å; E685-K690 PolarHBondContact N-O 3.32Å; T688-K690 PolarHBondContact O-N 3.24Å; T688-K690 VanDerWaalsContact O-N 3.08Å; T688-K690 PolarHBondContact OG1-N 2.82Å | ||
| 691 | P | 94.6 | Very high | 92.5 | Very high | 75 Ų | 75 | 66.3 Ų | 66.3 | 49% | 0.487 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 143.6 | 175.1 | 27.3 | -33.8 | 0 | 0 | 0 | 110.9 | Y683 | Y683-P691 CarbonylContact O-C 3.57Å; Y683-P691 WeakPolarHBondContact O-CA 3.48Å |
| 692 | V | 95.2 | Very high | 91.8 | Very high | 13 Ų | 13 | 67.9 Ų | 67.9 | 8% | 0.079 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 146.5 | 179 | -52.5 | 0 | 0 | 0 | 0 | 109.6 | Y657 I666 V671 Y683 E685 | Y657-V692 HydrophobicContact CD1-CG2 4.05Å; I666-V692 HydrophobicContact CD1-CB 4.15Å; I666-V692 HydrophobicContact CD1-CG1 3.31Å; V671-V692 HydrophobicContact CG1-CG2 3.77Å; V671-V692 HydrophobicContact CG2-CG2 4.16Å; Y683-V692 PolarHBondContact O-N 3.49Å; E685-V692 HydrophobicContact CB-CG1 3.96Å |
| 693 | Q | 94.6 | Very high | 91.4 | Very high | 113 Ų | 113 | 66.8 Ų | 66.8 | 53% | 0.528 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 131.4 | 177.7 | -176.7 | 178.3 | -3.1 | 0 | 0 | 110.1 | Y657 I658 | Y657-Q693 WeakPolarHBondContact CA-O 3.5Å; I658-Q693 HydrophobicContact CG2-CB 3.87Å; I658-Q693 HydrophobicContact CG2-CG 4.48Å; I658-Q693 PolarHBondContact N-O 2.94Å; I658-Q693 PolarHBondContact O-N 3.44Å |
| 694 | M | 94 | Very high | 91 | Very high | 52 Ų | 52 | 69 Ų | 69 | 26% | 0.256 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 134.8 | 176.6 | -174.1 | -79.3 | -63.8 | 0 | 0 | 111.2 | Q655 T656 Y657 Y683 | Q655-M694 HydrophobicContact CB-CG 4.46Å; Q655-M694 HydrophobicContact CG-SD 4.4Å; T656-M694 WeakPolarHBondContact O-CA 3.48Å; Y657-M694 HydrophobicContact CD1-CB 3.82Å; Y657-M694 HydrophobicContact CD1-CG 3.9Å; Y657-M694 HydrophobicContact CE1-CB 3.71Å; Y657-M694 HydrophobicContact CE1-CG 3.42Å; Y657-M694 VanDerWaalsContact CE1-CG 3.42Å; Y683-M694 HydrophobicContact CD2-CB 3.55Å; Y683-M694 HydrophobicContact CD2-CG 4.37Å; Y683-M694 HydrophobicContact CE1-CG 4.48Å; Y683-M694 HydrophobicContact CE2-CB 3.64Å; Y683-M694 HydrophobicContact CE2-CE 3.77Å; Y683-M694 HydrophobicContact CE2-CG 4.08Å; Y683-M694 HydrophobicContact CG-CB 4.06Å |
| 695 | Y | 94.5 | Very high | 90.8 | Very high | 71 Ų | 71 | 66.6 Ų | 66.6 | 28% | 0.278 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 168.3 | 168.7 | 63.8 | -80.2 | 0 | 0 | 0 | 111.5 | T656 I658 F665 D697 | T656-Y695 HydrophobicContact CG2-CE1 4.15Å; T656-Y695 HydrophobicContact CG2-CE2 4.35Å; T656-Y695 PolarHBondContact N-O 3.41Å; T656-Y695 PolarHBondContact O-N 2.99Å; I658-Y695 HydrophobicContact CB-CE1 4.27Å; I658-Y695 HydrophobicContact CG2-CD1 4.43Å; I658-Y695 HydrophobicContact CG2-CE1 3.85Å; F665-Y695 WeakPolarHBondContact CE1-OH 3.46Å; Y695-D697 HydrophobicContact CD2-CB 4.05Å; Y695-D697 HydrophobicContact CE2-CB 3.71Å; Y695-D697 WeakPolarHBondContact CE2-OD2 3.45Å |
| 696 | W | 93.7 | Very high | 90.5 | Very high | 75 Ų | 75 | 68.1 Ų | 68.1 | 28% | 0.284 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 127.2 | 178.3 | -70.1 | 89.3 | 0 | 0 | 0 | 110.6 | L653 Q655 K736 W737 | L653-W696 HydrophobicContact CB-CB 4.36Å; L653-W696 HydrophobicContact CB-CE3 4.07Å; L653-W696 HydrophobicContact CD1-CB 4.32Å; L653-W696 WeakPolarHBondContact O-CZ3 3.49Å; Q655-W696 HydrophobicContact CG-CD2 4.4Å; Q655-W696 HydrophobicContact CG-CE3 4.23Å; Q655-W696 HydrophobicContact CG-CH2 3.54Å; Q655-W696 HydrophobicContact CG-CZ2 3.71Å; Q655-W696 HydrophobicContact CG-CZ3 3.81Å; W696-K736 HydrophobicContact CD2-CB 4.07Å; W696-K736 HydrophobicContact CD2-CD 3.84Å; W696-K736 HydrophobicContact CD2-CG 3.74Å; W696-K736 HydrophobicContact CE3-CB 3.75Å; W696-K736 HydrophobicContact CE3-CD 4.38Å; W696-K736 HydrophobicContact CE3-CG 3.8Å; W696-K736 HydrophobicContact CG-CD 4.01Å; W696-K736 HydrophobicContact CG-CG 4.14Å; W696-K736 HydrophobicContact CH2-CB 3.9Å; W696-K736 HydrophobicContact CZ2-CB 4.21Å; W696-K736 HydrophobicContact CZ2-CD 4.36Å; W696-K736 HydrophobicContact CZ3-CB 3.67Å; W696-K736 HydrophobicContact CZ3-CG 4.25Å; W696-W737 WeakPolarHBondContact CH2-O 3.11Å; W696-W737 WeakPolarHBondContact CZ3-O 3.4Å |
| 697 | D | 91.6 | Very high | 90.3 | Very high | 38 Ų | 38 | 66.7 Ų | 66.7 | 20% | 0.203 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 163.3 | -178.3 | -154.2 | -27 | 0 | 0 | 0 | 111.6 | L653 G654 T656 Y695 M699 K703 N705 | L653-D697 CarbonylContact C-O 3.53Å; L653-D697 WeakPolarHBondContact CA-O 3.35Å; G654-D697 PolarHBondContact N-O 3.35Å; G654-D697 PolarHBondContact O-N 3.1Å; G654-D697 VanDerWaalsContact O-N 3.16Å; T656-D697 WeakPolarHBondContact OG1-CB 3.45Å; Y695-D697 HydrophobicContact CD2-CB 4.05Å; Y695-D697 HydrophobicContact CE2-CB 3.71Å; Y695-D697 WeakPolarHBondContact CE2-OD2 3.45Å; D697-M699 PolarHBondContact O-N 3.48Å; D697-K703 HydrophobicContact CB-CD 4.31Å; D697-K703 IonicContact OD1-NZ 3.32Å; D697-K703 PolarHBondContact OD1-NZ 2.8Å; D697-K703 WeakPolarHBondContact OD2-CE 3.47Å; D697-K703 IonicContact OD2-NZ 2.6Å; D697-K703 PolarHBondContact OD2-NZ 2.9Å; D697-N705 PolarHBondContact O-ND2 3.15Å |
| 698 | K | 90.3 | Very high | 90.3 | Very high | 78 Ų | 78 | 60.4 Ų | 60.4 | 34% | 0.339 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -49.7 | 128.6 | 175.2 | 179.7 | 174.4 | 174.7 | 167.1 | 0 | 109.9 | E615 L651 S700 N705 | E615-K698 IonicContact OE1-NZ 2.91Å; E615-K698 PolarHBondContact OE1-NZ 2.82Å; L651-K698 HydrophobicContact CD1-CB 4.17Å; L651-K698 HydrophobicContact CD1-CD 4.09Å; L651-K698 HydrophobicContact CD1-CG 4.25Å; L651-K698 HydrophobicContact CD2-CD 3.84Å; L651-K698 HydrophobicContact CD2-CG 4.16Å; K698-S700 PolarHBondContact O-N 3.27Å; K698-N705 PolarHBondContact O-ND2 2.9Å |
| 699 | M | 90.4 | Very high | 90.4 | Very high | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | trans | -60 | 125.4 | 171.1 | -73.8 | -174.9 | 176.1 | 0 | 0 | 110.3 | H70 M71 V652 D697 N705 I707 W737 | H70-M699 PolarHBondContact NE2-O 3.41Å; M71-M699 HydrophobicContact CB-CE 4.35Å; M71-M699 HydrophobicContact CB-SD 3.81Å; V652-M699 HydrophobicContact CB-SD 4.39Å; V652-M699 HydrophobicContact CG1-CE 3.84Å; V652-M699 HydrophobicContact CG1-SD 3.82Å; V652-M699 PolarHBondContact O-N 2.73Å; V652-M699 VanDerWaalsContact O-N 3.14Å; D697-M699 PolarHBondContact O-N 3.48Å; M699-N705 WeakPolarHBondContact CA-OD1 3.19Å; M699-I707 HydrophobicContact CE-CB 4.43Å; M699-I707 HydrophobicContact CE-CD1 3.87Å; M699-I707 HydrophobicContact CE-CG1 4.24Å; M699-W737 HydrophobicContact CE-CB 3.57Å; M699-W737 HydrophobicContact CE-CG 3.9Å | ||
| 700 | S | 84 | Confident | 90.4 | Very high | 24 Ų | 24 | 52.9 Ų | 52.9 | 17% | 0.168 | 28% | 0.276 | C | S | . | . | trans | -158.2 | 156.1 | 178.1 | 63.8 | 0 | 0 | 0 | 0 | 110.7 | K698 K703 L704 N705 | K698-S700 PolarHBondContact O-N 3.27Å; S700-K703 PolarHBondContact O-N 3.05Å; S700-K703 WeakPolarHBondContact OG-CB 3.45Å; S700-K703 VanDerWaalsContact OG-CG 3.28Å; S700-K703 WeakPolarHBondContact OG-CG 3.47Å; S700-L704 PolarHBondContact O-N 3.08Å; S700-N705 PolarHBondContact N-OD1 2.96Å; S700-N705 PolarHBondContact O-OD1 3.45Å; S700-N705 VanDerWaalsContact O-OD1 3.06Å | ||
| 701 | K | 77.9 | Confident | 90.4 | Very high | 85 Ų | 85 | 52.2 Ų | 52.2 | 37% | 0.37 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -38.5 | 178.7 | -69.1 | 175.1 | -176.1 | 140.8 | 0 | 112.2 | S66 S68 K703 L704 | S66-K701 PolarHBondContact O-NZ 2.95Å; S66-K701 PolarHBondContact OG-NZ 2.86Å; S68-K701 VanDerWaalsContact O-CE 3.3Å; S68-K701 WeakPolarHBondContact O-CE 3.46Å; S68-K701 PolarHBondContact O-NZ 3.32Å; K701-K703 VanDerWaalsContact C-N 3.28Å; K701-K703 PolarHBondContact O-N 2.79Å; K701-L704 WeakPolarHBondContact O-CD2 3.28Å; K701-L704 PolarHBondContact O-N 3.25Å |
| 702 | S | 78.3 | Confident | 90.3 | Very high | 93 Ų | 93 | 48.7 Ų | 48.7 | 65% | 0.65 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -29.8 | -178.9 | 51.3 | 0 | 0 | 0 | 0 | 113.3 | ||
| 703 | K | 85.1 | Confident | 90.1 | Very high | 50 Ų | 50 | 48.4 Ų | 48.4 | 22% | 0.217 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -1.1 | 178.4 | -61.9 | -178.2 | -170.9 | -173.3 | 0 | 113.7 | T656 F665 D697 S700 K701 N705 | T656-K703 HydrophobicContact CG2-CB 4.14Å; F665-K703 HydrophobicContact CD1-CB 4.28Å; F665-K703 HydrophobicContact CE1-CB 4.22Å; F665-K703 HydrophobicContact CE1-CG 4.01Å; F665-K703 HydrophobicContact CE2-CG 4.28Å; F665-K703 HydrophobicContact CZ-CG 3.9Å; D697-K703 HydrophobicContact CB-CD 4.31Å; D697-K703 IonicContact OD1-NZ 3.32Å; D697-K703 PolarHBondContact OD1-NZ 2.8Å; D697-K703 WeakPolarHBondContact OD2-CE 3.47Å; D697-K703 IonicContact OD2-NZ 2.6Å; D697-K703 PolarHBondContact OD2-NZ 2.9Å; S700-K703 PolarHBondContact O-N 3.05Å; S700-K703 WeakPolarHBondContact OG-CB 3.45Å; S700-K703 VanDerWaalsContact OG-CG 3.28Å; S700-K703 WeakPolarHBondContact OG-CG 3.47Å; K701-K703 VanDerWaalsContact C-N 3.28Å; K701-K703 PolarHBondContact O-N 2.79Å; K703-N705 PolarHBondContact O-N 2.76Å; K703-N705 VanDerWaalsContact O-N 3.08Å |
| 704 | L | 88.4 | Confident | 90 | Very high | 78 Ų | 78 | 46.9 Ų | 46.9 | 41% | 0.408 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.3 | 29.1 | 178.2 | -52.3 | 171.2 | 0 | 0 | 0 | 113.8 | F665 P667 S700 K701 | F665-L704 HydrophobicContact CB-CD1 4.13Å; F665-L704 HydrophobicContact CB-CG 4.45Å; P667-L704 HydrophobicContact CG-CD1 3.98Å; S700-L704 PolarHBondContact O-N 3.08Å; K701-L704 WeakPolarHBondContact O-CD2 3.28Å; K701-L704 PolarHBondContact O-N 3.25Å |
| 705 | N | 91 | Very high | 89.7 | Confident | 3 Ų | 3 | 49.7 Ų | 49.7 | 2% | 0.016 | 26% | 0.259 | C | S | . | . | trans | -118.9 | 5.3 | -175.6 | 70.4 | -12.7 | 0 | 0 | 0 | 112.9 | Q655 T656 D697 K698 M699 S700 K703 | Q655-N705 WeakPolarHBondContact O-CB 3.48Å; T656-N705 PolarHBondContact OG1-ND2 2.86Å; D697-N705 PolarHBondContact O-ND2 3.15Å; K698-N705 PolarHBondContact O-ND2 2.9Å; M699-N705 WeakPolarHBondContact CA-OD1 3.19Å; S700-N705 PolarHBondContact N-OD1 2.96Å; S700-N705 PolarHBondContact O-OD1 3.45Å; S700-N705 VanDerWaalsContact O-OD1 3.06Å; K703-N705 PolarHBondContact O-N 2.76Å; K703-N705 VanDerWaalsContact O-N 3.08Å | ||
| 706 | G | 90.2 | Very high | 89.6 | Confident | 39 Ų | 39 | 49.6 Ų | 49.6 | 40% | 0.402 | 26% | 0.259 | S | S | . | . | P | Polyproline II helix | trans | -79.3 | 124.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 707 | I | 91.9 | Very high | 89.4 | Confident | 45 Ų | 45 | 46 Ų | 46 | 23% | 0.231 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -95.4 | 126.4 | 175.8 | -65 | 167.6 | 0 | 0 | 0 | 109 | H70 M71 M699 V712 W737 | H70-I707 CarbonylContact C-O 3.55Å; H70-I707 WeakPolarHBondContact CA-O 3.44Å; H70-I707 WeakPolarHBondContact CB-O 3.2Å; M71-I707 HydrophobicContact CG-CB 4.07Å; M71-I707 HydrophobicContact CG-CG2 4.07Å; M71-I707 PolarHBondContact N-O 2.83Å; M71-I707 VanDerWaalsContact N-O 3.09Å; M699-I707 HydrophobicContact CE-CB 4.43Å; M699-I707 HydrophobicContact CE-CD1 3.87Å; M699-I707 HydrophobicContact CE-CG1 4.24Å; I707-V712 HydrophobicContact CG2-CG1 4.35Å; I707-V712 HydrophobicContact CG2-CG2 4.3Å; I707-W737 HydrophobicContact CD1-CG 4.32Å |
| 708 | D | 92.4 | Very high | 89.4 | Confident | 36 Ų | 36 | 44.5 Ų | 44.5 | 19% | 0.193 | 24% | 0.237 | C | C | . | . | P | Polyproline II helix | trans | -67.8 | 129.1 | 174.6 | -163 | -61.3 | 0 | 0 | 0 | 109.4 | Q132 T710 D711 | Q132-D708 VanDerWaalsContact NE2-CG 3.26Å; Q132-D708 PolarHBondContact NE2-OD1 3.26Å; Q132-D708 PolarHBondContact NE2-OD2 3.41Å; D708-T710 PolarHBondContact O-N 2.82Å; D708-T710 WeakPolarHBondContact OD1-CB 3.42Å; D708-T710 PolarHBondContact OD1-N 2.68Å; D708-T710 PolarHBondContact OD1-OG1 2.89Å; D708-D711 PolarHBondContact O-N 2.9Å |
| 709 | P | 94.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.6 | -27.9 | 178.3 | -25.4 | 37.4 | 0 | 0 | 0 | 113.4 | L69 M71 L74 T136 M137 D711 V712 V713 | L69-P709 HydrophobicContact CB-CG 4.49Å; L69-P709 WeakPolarHBondContact O-CD 3.34Å; M71-P709 HydrophobicContact SD-CB 4.06Å; M71-P709 HydrophobicContact SD-CG 4.19Å; L74-P709 HydrophobicContact CB-CB 4.41Å; L74-P709 HydrophobicContact CB-CG 4.21Å; L74-P709 HydrophobicContact CD1-CB 3.73Å; L74-P709 HydrophobicContact CD1-CG 4.43Å; T136-P709 HydrophobicContact CG2-CB 4.12Å; M137-P709 HydrophobicContact CE-CB 4.05Å; M137-P709 HydrophobicContact CE-CG 3.73Å; P709-D711 VanDerWaalsContact C-N 3.34Å; P709-V712 WeakPolarHBondContact O-CG2 3.41Å; P709-V712 PolarHBondContact O-N 3.38Å; P709-V713 WeakPolarHBondContact O-CB 3.33Å; P709-V713 VanDerWaalsContact O-CG2 3.31Å; P709-V713 WeakPolarHBondContact O-CG2 3.41Å; P709-V713 PolarHBondContact O-N 3.19Å |
| 710 | T | 94 | Very high | 89.7 | Confident | 37 Ų | 37 | 40.9 Ų | 40.9 | 23% | 0.227 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.5 | -42.3 | -179.2 | -42.3 | 0 | 0 | 0 | 0 | 110.4 | T136 D708 V712 V713 D714 | T136-T710 HydrophobicContact CG2-CG2 4.49Å; T136-T710 PolarHBondContact OG1-OG1 2.94Å; D708-T710 PolarHBondContact O-N 2.82Å; D708-T710 WeakPolarHBondContact OD1-CB 3.42Å; D708-T710 PolarHBondContact OD1-N 2.68Å; D708-T710 PolarHBondContact OD1-OG1 2.89Å; T710-V712 VanDerWaalsContact C-N 3.27Å; T710-V712 PolarHBondContact O-N 2.64Å; T710-V713 PolarHBondContact O-N 3.29Å; T710-D714 WeakPolarHBondContact O-CB 3.34Å; T710-D714 PolarHBondContact O-N 2.79Å |
| 711 | D | 92.1 | Very high | 90.2 | Very high | 91 Ų | 91 | 39.8 Ų | 39.8 | 49% | 0.487 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -61.8 | -34.1 | -178.4 | -62 | -19.7 | 0 | 0 | 0 | 112.8 | D708 P709 K715 | D708-D711 PolarHBondContact O-N 2.9Å; P709-D711 VanDerWaalsContact C-N 3.34Å; D711-K715 VanDerWaalsContact O-CD 3.27Å; D711-K715 WeakPolarHBondContact O-CD 3.4Å; D711-K715 WeakPolarHBondContact O-CE 3.5Å; D711-K715 VanDerWaalsContact O-CG 3.23Å; D711-K715 WeakPolarHBondContact O-CG 3.2Å |
| 712 | V | 92.1 | Very high | 91 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -89 | -37 | 179.1 | -87.5 | 0 | 0 | 0 | 0 | 112.5 | M71 I707 P709 T710 D714 K715 Y716 I721 W737 E739 | M71-V712 HydrophobicContact CE-CG2 4.07Å; M71-V712 HydrophobicContact CG-CG2 4.41Å; M71-V712 HydrophobicContact SD-CG2 3.54Å; M71-V712 VanDerWaalsContact SD-CG2 3.54Å; I707-V712 HydrophobicContact CG2-CG1 4.35Å; I707-V712 HydrophobicContact CG2-CG2 4.3Å; P709-V712 WeakPolarHBondContact O-CG2 3.41Å; P709-V712 PolarHBondContact O-N 3.38Å; T710-V712 VanDerWaalsContact C-N 3.27Å; T710-V712 PolarHBondContact O-N 2.64Å; V712-D714 VanDerWaalsContact C-N 3.31Å; V712-D714 PolarHBondContact O-N 2.94Å; V712-K715 PolarHBondContact O-N 3.4Å; V712-Y716 HydrophobicContact CG1-CE2 4.48Å; V712-Y716 VanDerWaalsContact O-CD2 3.32Å; V712-Y716 WeakPolarHBondContact O-CD2 3.36Å; V712-Y716 PolarHBondContact O-N 3.15Å; V712-I721 HydrophobicContact CB-CD1 3.98Å; V712-I721 HydrophobicContact CB-CG1 4.38Å; V712-W737 HydrophobicContact CG1-CZ2 4.17Å; V712-E739 HydrophobicContact CG1-CG 4.22Å; V712-E739 WeakPolarHBondContact CG1-OE1 3.45Å |
| 713 | V | 92.1 | Very high | 91.8 | Very high | 7 Ų | 7 | 31.4 Ų | 31.4 | 4% | 0.042 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.4 | -38.1 | 174.1 | 167.4 | 0 | 0 | 0 | 0 | 110.9 | T136 P709 T710 K715 Y716 G717 M718 I721 | T136-V713 HydrophobicContact CG2-CB 3.78Å; T136-V713 HydrophobicContact CG2-CG1 4.13Å; T136-V713 HydrophobicContact CG2-CG2 3.79Å; P709-V713 WeakPolarHBondContact O-CB 3.33Å; P709-V713 VanDerWaalsContact O-CG2 3.31Å; P709-V713 WeakPolarHBondContact O-CG2 3.41Å; P709-V713 PolarHBondContact O-N 3.19Å; T710-V713 PolarHBondContact O-N 3.29Å; V713-K715 PolarHBondContact O-N 2.96Å; V713-Y716 PolarHBondContact O-N 2.81Å; V713-G717 VanDerWaalsContact O-CA 3.28Å; V713-G717 WeakPolarHBondContact O-CA 3.44Å; V713-G717 PolarHBondContact O-N 3.45Å; V713-M718 HydrophobicContact CG1-CB 4.25Å; V713-I721 HydrophobicContact CG2-CB 4.16Å; V713-I721 HydrophobicContact CG2-CG1 4.15Å; V713-I721 HydrophobicContact CG2-CG2 4.26Å |
| 714 | D | 90.7 | Very high | 92.2 | Very high | 81 Ų | 81 | 29 Ų | 29 | 43% | 0.433 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -67.8 | -23.8 | 177.6 | -81.4 | -24.4 | 0 | 0 | 0 | 114 | L24 K28 T710 V712 | L24-D714 VanDerWaalsContact CD1-O 3.27Å; L24-D714 WeakPolarHBondContact CD1-O 3.35Å; K28-D714 IonicContact NZ-OD1 3.21Å; K28-D714 PolarHBondContact NZ-OD1 3.36Å; T710-D714 WeakPolarHBondContact O-CB 3.34Å; T710-D714 PolarHBondContact O-N 2.79Å; V712-D714 VanDerWaalsContact C-N 3.31Å; V712-D714 PolarHBondContact O-N 2.94Å |
| 715 | K | 89.7 | Confident | 92.4 | Very high | 111 Ų | 111 | 25.3 Ų | 25.3 | 48% | 0.483 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -86.3 | -35.7 | 176.3 | -70 | 171.9 | -169.8 | 174.4 | 0 | 113.6 | L24 D711 V712 V713 | L24-K715 WeakPolarHBondContact CD1-O 3.23Å; D711-K715 VanDerWaalsContact O-CD 3.27Å; D711-K715 WeakPolarHBondContact O-CD 3.4Å; D711-K715 WeakPolarHBondContact O-CE 3.5Å; D711-K715 VanDerWaalsContact O-CG 3.23Å; D711-K715 WeakPolarHBondContact O-CG 3.2Å; V712-K715 PolarHBondContact O-N 3.4Å; V713-K715 PolarHBondContact O-N 2.96Å |
| 716 | Y | 90.4 | Very high | 92.6 | Very high | 69 Ų | 69 | 25.5 Ų | 25.5 | 27% | 0.271 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -124.6 | -14.7 | -165.7 | -59.7 | -67.2 | 0 | 0 | 0 | 115 | V712 V713 T720 I721 E739 I743 | V712-Y716 HydrophobicContact CG1-CE2 4.48Å; V712-Y716 VanDerWaalsContact O-CD2 3.32Å; V712-Y716 WeakPolarHBondContact O-CD2 3.36Å; V712-Y716 PolarHBondContact O-N 3.15Å; V713-Y716 PolarHBondContact O-N 2.81Å; Y716-T720 VanDerWaalsContact O-CB 3.23Å; Y716-T720 WeakPolarHBondContact O-CB 3.42Å; Y716-T720 PolarHBondContact O-OG1 3.27Å; Y716-I721 HydrophobicContact CD2-CD1 4Å; Y716-I721 HydrophobicContact CG-CD1 4.36Å; Y716-E739 HydrophobicContact CE2-CB 4.44Å; Y716-E739 HydrophobicContact CE2-CG 4.44Å; Y716-E739 PolarHBondContact OH-OE2 2.71Å; Y716-I743 HydrophobicContact CD1-CD1 4.19Å; Y716-I743 HydrophobicContact CD1-CG2 3.81Å; Y716-I743 HydrophobicContact CD2-CD1 3.63Å; Y716-I743 HydrophobicContact CE1-CD1 4.24Å; Y716-I743 HydrophobicContact CE1-CG2 4.14Å; Y716-I743 HydrophobicContact CE2-CD1 3.69Å; Y716-I743 HydrophobicContact CG-CD1 3.89Å; Y716-I743 HydrophobicContact CG-CG2 4.28Å |
| 717 | G | 90.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.119 | C | C | . | . | trans | 90.2 | 153.1 | -174 | 0 | 0 | 0 | 0 | 0 | 114.3 | E31 V713 I721 | E31-G717 VanDerWaalsContact OE1-CA 3.31Å; E31-G717 WeakPolarHBondContact OE1-CA 3.06Å; V713-G717 VanDerWaalsContact O-CA 3.28Å; V713-G717 WeakPolarHBondContact O-CA 3.44Å; V713-G717 PolarHBondContact O-N 3.45Å; G717-I721 WeakPolarHBondContact O-CG1 3.33Å; G717-I721 PolarHBondContact O-N 2.77Å | ||
| 718 | M | 92.1 | Very high | 92.5 | Very high | 6 Ų | 6 | 27.4 Ų | 27.4 | 3% | 0.03 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -58.8 | -57.2 | -175.6 | -176.5 | -166.8 | 81.2 | 0 | 0 | 112.4 | E31 L35 S138 V713 T720 I721 R722 P859 I860 | E31-M718 PolarHBondContact OE1-N 3.22Å; L35-M718 HydrophobicContact CD2-CE 4.35Å; L35-M718 HydrophobicContact CD2-SD 4.09Å; S138-M718 WeakPolarHBondContact CB-SD 3.34Å; V713-M718 HydrophobicContact CG1-CB 4.25Å; M718-T720 VanDerWaalsContact C-N 3.32Å; M718-T720 PolarHBondContact O-N 2.97Å; M718-I721 PolarHBondContact O-N 3.24Å; M718-I721 VanDerWaalsContact O-N 3.15Å; M718-R722 HydrophobicContact CG-CG 4.47Å; M718-R722 WeakPolarHBondContact O-CG 3.42Å; M718-R722 PolarHBondContact O-N 3.07Å; M718-P859 HydrophobicContact CE-CG 4.22Å; M718-I860 HydrophobicContact CB-CD1 4.46Å; M718-I860 HydrophobicContact CE-CD1 3.32Å; M718-I860 HydrophobicContact CE-CG1 3.65Å; M718-I860 HydrophobicContact SD-CD1 4.16Å |
| 719 | D | 93 | Very high | 92.3 | Very high | 3 Ų | 3 | 27.2 Ų | 27.2 | 2% | 0.016 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.6 | -37.4 | -176.1 | -83.9 | 2.6 | 0 | 0 | 0 | 112.6 | I721 R722 I723 A858 P859 I860 Y861 | D719-I721 VanDerWaalsContact C-N 3.31Å; D719-I721 PolarHBondContact O-N 2.87Å; D719-R722 PolarHBondContact O-N 2.86Å; D719-I723 VanDerWaalsContact O-CG1 3.3Å; D719-I723 WeakPolarHBondContact O-CG1 3.4Å; D719-I723 PolarHBondContact O-N 2.96Å; D719-A858 HydrophobicContact CB-CB 3.88Å; D719-A858 WeakPolarHBondContact OD1-CA 3.29Å; D719-A858 VanDerWaalsContact OD2-CA 3.29Å; D719-A858 WeakPolarHBondContact OD2-CA 3.45Å; D719-A858 WeakPolarHBondContact OD2-CB 3.26Å; D719-P859 WeakPolarHBondContact OD1-CD 3.42Å; D719-I860 WeakPolarHBondContact OD2-CA 3.45Å; D719-I860 VanDerWaalsContact OD2-CB 3.26Å; D719-I860 WeakPolarHBondContact OD2-CB 3.31Å; D719-I860 PolarHBondContact OD2-N 3.05Å; D719-Y861 HydrophobicContact CB-CD2 3.6Å; D719-Y861 HydrophobicContact CB-CE2 4.18Å; D719-Y861 PolarHBondContact OD2-N 3.47Å |
| 720 | T | 93 | Very high | 91.8 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.006 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58.5 | -45.8 | 175 | -53.1 | 0 | 0 | 0 | 0 | 110.5 | Y716 M718 T724 I743 V746 N747 | Y716-T720 VanDerWaalsContact O-CB 3.23Å; Y716-T720 WeakPolarHBondContact O-CB 3.42Å; Y716-T720 PolarHBondContact O-OG1 3.27Å; M718-T720 VanDerWaalsContact C-N 3.32Å; M718-T720 PolarHBondContact O-N 2.97Å; T720-T724 WeakPolarHBondContact O-CB 3.37Å; T720-T724 PolarHBondContact O-N 2.6Å; T720-T724 PolarHBondContact O-OG1 2.99Å; T720-I743 HydrophobicContact CG2-CG2 3.99Å; T720-V746 HydrophobicContact CG2-CG1 4.22Å; T720-N747 WeakPolarHBondContact CG2-OD1 3.45Å |
| 721 | I | 93.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -69.7 | -38.5 | 178.6 | -66.3 | -56.3 | 0 | 0 | 0 | 111.7 | M71 L74 V712 V713 Y716 G717 M718 D719 T724 I725 W737 I743 | M71-I721 HydrophobicContact CE-CG2 3.6Å; L74-I721 HydrophobicContact CD1-CG2 3.93Å; L74-I721 HydrophobicContact CD2-CG2 4.13Å; V712-I721 HydrophobicContact CB-CD1 3.98Å; V712-I721 HydrophobicContact CB-CG1 4.38Å; V713-I721 HydrophobicContact CG2-CB 4.16Å; V713-I721 HydrophobicContact CG2-CG1 4.15Å; V713-I721 HydrophobicContact CG2-CG2 4.26Å; Y716-I721 HydrophobicContact CD2-CD1 4Å; Y716-I721 HydrophobicContact CG-CD1 4.36Å; G717-I721 WeakPolarHBondContact O-CG1 3.33Å; G717-I721 PolarHBondContact O-N 2.77Å; M718-I721 PolarHBondContact O-N 3.24Å; M718-I721 VanDerWaalsContact O-N 3.15Å; D719-I721 VanDerWaalsContact C-N 3.31Å; D719-I721 PolarHBondContact O-N 2.87Å; I721-T724 PolarHBondContact O-N 3.04Å; I721-I725 WeakPolarHBondContact O-CB 3.3Å; I721-I725 PolarHBondContact O-N 2.84Å; I721-W737 HydrophobicContact CD1-CH2 4.23Å; I721-W737 HydrophobicContact CD1-CZ2 4.48Å; I721-I743 HydrophobicContact CD1-CD1 4.03Å |
| 722 | R | 94.8 | Very high | 91 | Very high | 3 Ų | 3 | 27.1 Ų | 27.1 | 1% | 0.011 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60.7 | -46.4 | 173.9 | -69.6 | 173.5 | 61.1 | 99.3 | 0.4 | 112 | T78 D81 M718 D719 I725 L726 P856 I857 | T78-R722 HydrophobicContact CG2-CB 3.96Å; T78-R722 HydrophobicContact CG2-CG 3.83Å; D81-R722 IonicContact OD2-CZ 2.7Å; D81-R722 IonicContact OD2-NH1 3.59Å; D81-R722 PolarHBondContact OD2-NH1 3.33Å; D81-R722 IonicContact OD2-NH2 2.63Å; D81-R722 PolarHBondContact OD2-NH2 2.98Å; M718-R722 HydrophobicContact CG-CG 4.47Å; M718-R722 WeakPolarHBondContact O-CG 3.42Å; M718-R722 PolarHBondContact O-N 3.07Å; D719-R722 PolarHBondContact O-N 2.86Å; R722-I725 WeakPolarHBondContact O-CG2 3.4Å; R722-L726 WeakPolarHBondContact O-CB 3.33Å; R722-L726 WeakPolarHBondContact O-CD1 3.31Å; R722-L726 WeakPolarHBondContact O-CG 3.37Å; R722-L726 PolarHBondContact O-N 3.23Å; R722-P856 PolarHBondContact NH2-O 2.92Å; R722-I857 PolarHBondContact NE-O 2.87Å |
| 723 | I | 95.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.9 | -44.6 | 176.4 | -63.1 | 162.5 | 0 | 0 | 0 | 109.9 | D719 I725 L726 T727 V746 W749 L750 I816 I857 A858 | D719-I723 VanDerWaalsContact O-CG1 3.3Å; D719-I723 WeakPolarHBondContact O-CG1 3.4Å; D719-I723 PolarHBondContact O-N 2.96Å; I723-I725 VanDerWaalsContact C-N 3.35Å; I723-I725 PolarHBondContact O-N 2.71Å; I723-L726 PolarHBondContact O-N 3.37Å; I723-T727 WeakPolarHBondContact O-CB 3.48Å; I723-T727 PolarHBondContact O-N 3.22Å; I723-V746 HydrophobicContact CB-CG1 3.89Å; I723-V746 HydrophobicContact CB-CG2 4.4Å; I723-V746 HydrophobicContact CD1-CG1 4.18Å; I723-V746 HydrophobicContact CG2-CB 4.38Å; I723-V746 HydrophobicContact CG2-CG1 3.75Å; I723-V746 HydrophobicContact CG2-CG2 3.7Å; I723-W749 HydrophobicContact CD1-CZ3 4.29Å; I723-W749 HydrophobicContact CG2-CE3 4.33Å; I723-W749 HydrophobicContact CG2-CZ3 3.94Å; I723-L750 HydrophobicContact CD1-CD1 4.16Å; I723-L750 HydrophobicContact CD1-CD2 3.82Å; I723-L750 HydrophobicContact CD1-CG 4.31Å; I723-I816 HydrophobicContact CG2-CD1 4.33Å; I723-I816 HydrophobicContact CG2-CG2 4.43Å; I723-I857 HydrophobicContact CG1-CG2 3.76Å; I723-A858 HydrophobicContact CD1-CB 3.85Å; I723-A858 HydrophobicContact CG1-CB 4.15Å |
| 724 | T | 94.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -57.9 | -45.9 | -179.2 | -64.7 | 0 | 0 | 0 | 0 | 111.3 | T720 I721 L726 R735 W737 V742 I743 | T720-T724 WeakPolarHBondContact O-CB 3.37Å; T720-T724 PolarHBondContact O-N 2.6Å; T720-T724 PolarHBondContact O-OG1 2.99Å; I721-T724 PolarHBondContact O-N 3.04Å; T724-L726 VanDerWaalsContact C-N 3.27Å; T724-L726 PolarHBondContact O-N 3.27Å; T724-R735 PolarHBondContact O-NH1 3.49Å; T724-R735 PolarHBondContact O-NH2 2.89Å; T724-W737 HydrophobicContact CG2-CH2 3.89Å; T724-W737 HydrophobicContact CG2-CZ3 3.97Å; T724-V742 HydrophobicContact CG2-CB 4.09Å; T724-V742 HydrophobicContact CG2-CG1 3.76Å; T724-I743 HydrophobicContact CG2-CG1 3.73Å |
| 725 | I | 93.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -69.3 | -26.7 | -178 | -160.3 | 70.4 | 0 | 0 | 0 | 112.5 | M71 L74 R75 V652 I721 R722 I723 R735 W737 | M71-I725 HydrophobicContact CE-CD1 4.23Å; L74-I725 HydrophobicContact CD2-CB 4.03Å; L74-I725 HydrophobicContact CD2-CG1 4.12Å; L74-I725 HydrophobicContact CD2-CG2 3.68Å; R75-I725 HydrophobicContact CB-CD1 4.25Å; R75-I725 HydrophobicContact CB-CG1 3.62Å; R75-I725 HydrophobicContact CG-CG1 3.79Å; V652-I725 HydrophobicContact CG2-CD1 4.05Å; I721-I725 WeakPolarHBondContact O-CB 3.3Å; I721-I725 PolarHBondContact O-N 2.84Å; R722-I725 WeakPolarHBondContact O-CG2 3.4Å; I723-I725 VanDerWaalsContact C-N 3.35Å; I723-I725 PolarHBondContact O-N 2.71Å; I725-R735 PolarHBondContact O-NH1 3.15Å; I725-W737 HydrophobicContact CB-CZ3 4.43Å; I725-W737 HydrophobicContact CD1-CE3 3.6Å; I725-W737 HydrophobicContact CD1-CZ3 3.49Å; I725-W737 VanDerWaalsContact CD1-CZ3 3.49Å |
| 726 | L | 94.3 | Very high | 91 | Very high | 7 Ų | 7 | 35.1 Ų | 35.1 | 4% | 0.037 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -96 | -21.2 | -174.4 | -64.8 | 174.2 | 0 | 0 | 0 | 114.4 | T78 V79 V82 R722 I723 T724 I812 S813 I816 I857 | T78-L726 HydrophobicContact CG2-CD1 3.72Å; T78-L726 HydrophobicContact CG2-CG 4.26Å; V79-L726 HydrophobicContact CG2-CD2 3.53Å; V82-L726 HydrophobicContact CG2-CD1 3.88Å; R722-L726 WeakPolarHBondContact O-CB 3.33Å; R722-L726 WeakPolarHBondContact O-CD1 3.31Å; R722-L726 WeakPolarHBondContact O-CG 3.37Å; R722-L726 PolarHBondContact O-N 3.23Å; I723-L726 PolarHBondContact O-N 3.37Å; T724-L726 VanDerWaalsContact C-N 3.27Å; T724-L726 PolarHBondContact O-N 3.27Å; L726-I812 HydrophobicContact CB-CG2 4.25Å; L726-I812 HydrophobicContact CD1-CG2 3.92Å; L726-I812 HydrophobicContact CG-CG2 4.48Å; L726-S813 VanDerWaalsContact O-CA 3.29Å; L726-S813 WeakPolarHBondContact O-CA 3.35Å; L726-S813 VanDerWaalsContact O-CB 3.26Å; L726-S813 WeakPolarHBondContact O-CB 3.32Å; L726-I816 HydrophobicContact CB-CD1 3.71Å; L726-I857 HydrophobicContact CD1-CG2 4.27Å |
| 727 | T | 93.3 | Very high | 91 | Very high | 4 Ų | 4 | 32.3 Ų | 32.3 | 3% | 0.025 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -79.7 | 158.6 | -175.5 | -163.8 | 0 | 0 | 0 | 0 | 113.4 | I723 V729 R735 V742 V746 | I723-T727 WeakPolarHBondContact O-CB 3.48Å; I723-T727 PolarHBondContact O-N 3.22Å; T727-V729 PolarHBondContact O-N 3.24Å; T727-R735 PolarHBondContact O-NH1 2.98Å; T727-R735 PolarHBondContact O-NH2 3.19Å; T727-V742 HydrophobicContact CG2-CG1 3.6Å; T727-V746 HydrophobicContact CG2-CG2 4.32Å |
| 728 | N | 87.2 | Confident | 90.8 | Very high | 119 Ų | 119 | 35 Ų | 35 | 64% | 0.636 | 18% | 0.178 | S | C | * | . | S | Bend | trans | 66.3 | -20.1 | 170.3 | -52.9 | -10.4 | 0 | 0 | 0 | 117.1 | ||
| 729 | V | 86.9 | Confident | 90.2 | Very high | 33 Ų | 33 | 37.1 Ų | 37.1 | 20% | 0.2 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -126 | 121.9 | -174.8 | -174.3 | 0 | 0 | 0 | 0 | 109.4 | T727 R733 R735 S813 | T727-V729 PolarHBondContact O-N 3.24Å; V729-R733 HydrophobicContact CG1-CB 3.53Å; V729-R735 HydrophobicContact CG2-CG 4.4Å; V729-S813 WeakPolarHBondContact O-CB 3.29Å |
| 730 | G | 85.6 | Confident | 89.5 | Confident | 14 Ų | 14 | 44.5 Ų | 44.5 | 14% | 0.144 | 22% | 0.223 | C | C | . | . | trans | -58.6 | 157.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | R75 H732 R733 | R75-G730 PolarHBondContact NH2-O 2.79Å; R75-G730 VanDerWaalsContact NH2-O 3.14Å; G730-H732 VanDerWaalsContact C-N 3.34Å; G730-H732 PolarHBondContact O-N 3.47Å; G730-R733 PolarHBondContact O-N 3.35Å; G730-R733 VanDerWaalsContact O-N 3.11Å | ||
| 731 | P | 82.3 | Confident | 88.6 | Confident | 17 Ų | 17 | 50.8 Ų | 50.8 | 11% | 0.11 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -44.5 | -170.3 | 20.4 | -31.7 | 0 | 0 | 0 | 112.5 | R75 L647 P648 V649 G650 R733 | R75-P731 PolarHBondContact NH2-O 2.81Å; L647-P731 HydrophobicContact CD1-CB 3.89Å; L647-P731 HydrophobicContact CD1-CG 3.95Å; P648-P731 CarbonylContact O-C 3.5Å; V649-P731 CarbonylContact C-O 3.6Å; V649-P731 WeakPolarHBondContact CA-O 3.31Å; G650-P731 PolarHBondContact N-O 2.7Å; P731-R733 VanDerWaalsContact C-N 3.31Å; P731-R733 PolarHBondContact O-N 2.59Å |
| 732 | H | 85.6 | Confident | 88.2 | Confident | 95 Ų | 95 | 52.1 Ų | 52.1 | 44% | 0.44 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -17 | -177.9 | 59.7 | -88.4 | 0 | 0 | 0 | 114.8 | P648 G650 G730 | P648-H732 HydrophobicContact CG-CB 4.32Å; P648-H732 WeakPolarHBondContact O-CA 3.5Å; P648-H732 PolarHBondContact O-N 3.16Å; G650-H732 WeakPolarHBondContact CA-O 3.49Å; G730-H732 VanDerWaalsContact C-N 3.34Å; G730-H732 PolarHBondContact O-N 3.47Å |
| 733 | R | 89.5 | Confident | 88 | Confident | 165 Ų | 165 | 52.2 Ų | 52.2 | 62% | 0.623 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -86.5 | 138.7 | -175.2 | -67.9 | -170.2 | -178.1 | -169.2 | -1.9 | 111.4 | R75 V729 G730 P731 | R75-R733 PolarHBondContact NH1-O 3.06Å; R75-R733 PolarHBondContact NH2-O 3.29Å; V729-R733 HydrophobicContact CG1-CB 3.53Å; G730-R733 PolarHBondContact O-N 3.35Å; G730-R733 VanDerWaalsContact O-N 3.11Å; P731-R733 VanDerWaalsContact C-N 3.31Å; P731-R733 PolarHBondContact O-N 2.59Å |
| 734 | S | 91.4 | Very high | 87.7 | Confident | 64 Ų | 64 | 56.6 Ų | 56.6 | 45% | 0.448 | 29% | 0.285 | S | S | . | . | trans | -61 | 139.5 | 170.5 | -58.1 | 0 | 0 | 0 | 0 | 110.7 | L651 | L651-S734 CarbonylContact O-C 3.59Å; L651-S734 WeakPolarHBondContact O-CA 3.21Å | ||
| 735 | R | 91.5 | Very high | 87.5 | Confident | 11 Ų | 11 | 58.4 Ų | 58.4 | 4% | 0.042 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 118.9 | 178.9 | -174.5 | -174.5 | -163.9 | 90.1 | 18.6 | 109.5 | L651 V652 L653 T724 I725 T727 V729 W737 | L651-R735 PolarHBondContact O-N 3.33Å; V652-R735 CarbonylContact C-O 3.6Å; V652-R735 WeakPolarHBondContact CA-O 3.29Å; L653-R735 PolarHBondContact N-O 3.02Å; T724-R735 PolarHBondContact O-NH1 3.49Å; T724-R735 PolarHBondContact O-NH2 2.89Å; I725-R735 PolarHBondContact O-NH1 3.15Å; T727-R735 PolarHBondContact O-NH1 2.98Å; T727-R735 PolarHBondContact O-NH2 3.19Å; V729-R735 HydrophobicContact CG2-CG 4.4Å; R735-W737 PolarHBondContact O-N 3.08Å |
| 736 | K | 92.1 | Very high | 87.5 | Confident | 126 Ų | 126 | 58.5 Ų | 58.5 | 55% | 0.548 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 117 | 165.3 | -66.1 | 179.7 | 179.2 | -179.2 | 0 | 108 | L653 W696 S738 | L653-K736 HydrophobicContact CD1-CG 4.36Å; W696-K736 HydrophobicContact CD2-CB 4.07Å; W696-K736 HydrophobicContact CD2-CD 3.84Å; W696-K736 HydrophobicContact CD2-CG 3.74Å; W696-K736 HydrophobicContact CE3-CB 3.75Å; W696-K736 HydrophobicContact CE3-CD 4.38Å; W696-K736 HydrophobicContact CE3-CG 3.8Å; W696-K736 HydrophobicContact CG-CD 4.01Å; W696-K736 HydrophobicContact CG-CG 4.14Å; W696-K736 HydrophobicContact CH2-CB 3.9Å; W696-K736 HydrophobicContact CZ2-CB 4.21Å; W696-K736 HydrophobicContact CZ2-CD 4.36Å; W696-K736 HydrophobicContact CZ3-CB 3.67Å; W696-K736 HydrophobicContact CZ3-CG 4.25Å; K736-S738 PolarHBondContact O-N 3.28Å |
| 737 | W | 91.3 | Very high | 87.3 | Confident | 11 Ų | 11 | 59.4 Ų | 59.4 | 4% | 0.042 | 31% | 0.31 | C | S | . | . | trans | -79.3 | 120.6 | -179.8 | -178.5 | -98.7 | 0 | 0 | 0 | 110.5 | M71 V652 L653 W696 M699 I707 V712 I721 T724 I725 R735 E739 | M71-W737 HydrophobicContact CE-CD2 4.37Å; M71-W737 HydrophobicContact CE-CE3 4.07Å; M71-W737 HydrophobicContact CE-CH2 3.29Å; M71-W737 HydrophobicContact CE-CZ2 3.59Å; M71-W737 HydrophobicContact CE-CZ3 3.54Å; M71-W737 HydrophobicContact CG-CD2 4.44Å; V652-W737 HydrophobicContact CG1-CB 3.87Å; L653-W737 PolarHBondContact O-N 3.4Å; W696-W737 WeakPolarHBondContact CH2-O 3.11Å; W696-W737 WeakPolarHBondContact CZ3-O 3.4Å; M699-W737 HydrophobicContact CE-CB 3.57Å; M699-W737 HydrophobicContact CE-CG 3.9Å; I707-W737 HydrophobicContact CD1-CG 4.32Å; V712-W737 HydrophobicContact CG1-CZ2 4.17Å; I721-W737 HydrophobicContact CD1-CH2 4.23Å; I721-W737 HydrophobicContact CD1-CZ2 4.48Å; T724-W737 HydrophobicContact CG2-CH2 3.89Å; T724-W737 HydrophobicContact CG2-CZ3 3.97Å; I725-W737 HydrophobicContact CB-CZ3 4.43Å; I725-W737 HydrophobicContact CD1-CE3 3.6Å; I725-W737 HydrophobicContact CD1-CZ3 3.49Å; I725-W737 VanDerWaalsContact CD1-CZ3 3.49Å; R735-W737 PolarHBondContact O-N 3.08Å; W737-E739 HydrophobicContact CZ2-CG 4.37Å | ||
| 738 | S | 85.8 | Confident | 87.2 | Confident | 55 Ų | 55 | 62.7 Ų | 62.7 | 39% | 0.385 | 33% | 0.327 | S | S | . | . | trans | -137.9 | 140.9 | 166.6 | 67.9 | 0 | 0 | 0 | 0 | 109.3 | K736 | K736-S738 PolarHBondContact O-N 3.28Š| ||
| 739 | E | 81.1 | Confident | 87.5 | Confident | 52 Ų | 52 | 57.5 Ų | 57.5 | 24% | 0.243 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -79 | -42.5 | -177.1 | -67 | 178.3 | -162.1 | 0 | 0 | 111.6 | V712 Y716 W737 I743 | V712-E739 HydrophobicContact CG1-CG 4.22Å; V712-E739 WeakPolarHBondContact CG1-OE1 3.45Å; Y716-E739 HydrophobicContact CE2-CB 4.44Å; Y716-E739 HydrophobicContact CE2-CG 4.44Å; Y716-E739 PolarHBondContact OH-OE2 2.71Å; W737-E739 HydrophobicContact CZ2-CG 4.37Å; E739-I743 HydrophobicContact CB-CD1 4.11Å; E739-I743 WeakPolarHBondContact O-CB 3.38Å; E739-I743 WeakPolarHBondContact O-CD1 3.5Å; E739-I743 WeakPolarHBondContact O-CG1 3.32Å; E739-I743 PolarHBondContact O-N 2.94Å |
| 740 | Q | 78.1 | Confident | 87.7 | Confident | 158 Ų | 158 | 56 Ų | 56 | 74% | 0.738 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -68 | -70.1 | -161.2 | -68.5 | -178.5 | -20.7 | 0 | 0 | 115.1 | V742 I743 Q744 | Q740-V742 PolarHBondContact O-N 2.98Å; Q740-I743 PolarHBondContact O-N 3.3Å; Q740-Q744 WeakPolarHBondContact O-CB 3.28Å; Q740-Q744 PolarHBondContact O-N 2.58Å; Q740-Q744 VanDerWaalsContact O-N 3.11Å |
| 741 | D | 74.3 | Confident | 87.9 | Confident | 133 Ų | 133 | 60 Ų | 60 | 71% | 0.711 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -67.5 | -38.3 | -164.8 | -61.3 | -29.7 | 0 | 0 | 0 | 113.5 | G745 | D741-G745 PolarHBondContact O-N 2.81Å |
| 742 | V | 84.6 | Confident | 88.5 | Confident | 27 Ų | 27 | 62.3 Ų | 62.3 | 16% | 0.164 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -72.5 | -44.3 | -176.9 | -173.5 | 0 | 0 | 0 | 0 | 110.6 | T724 T727 Q740 Q744 G745 V746 | T724-V742 HydrophobicContact CG2-CB 4.09Å; T724-V742 HydrophobicContact CG2-CG1 3.76Å; T727-V742 HydrophobicContact CG2-CG1 3.6Å; Q740-V742 PolarHBondContact O-N 2.98Å; V742-Q744 VanDerWaalsContact C-N 3.32Å; V742-Q744 PolarHBondContact O-N 3.17Å; V742-G745 PolarHBondContact O-N 3.2Å; V742-V746 WeakPolarHBondContact O-CG2 3.48Å; V742-V746 PolarHBondContact O-N 3Å |
| 743 | I | 89.9 | Confident | 88.8 | Confident | 5 Ų | 5 | 58 Ų | 58 | 3% | 0.026 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.8 | -41.6 | 179.8 | -66 | 178 | 0 | 0 | 0 | 110.1 | Y716 T720 I721 T724 E739 Q740 G745 V746 N747 | Y716-I743 HydrophobicContact CD1-CD1 4.19Å; Y716-I743 HydrophobicContact CD1-CG2 3.81Å; Y716-I743 HydrophobicContact CD2-CD1 3.63Å; Y716-I743 HydrophobicContact CE1-CD1 4.24Å; Y716-I743 HydrophobicContact CE1-CG2 4.14Å; Y716-I743 HydrophobicContact CE2-CD1 3.69Å; Y716-I743 HydrophobicContact CG-CD1 3.89Å; Y716-I743 HydrophobicContact CG-CG2 4.28Å; T720-I743 HydrophobicContact CG2-CG2 3.99Å; I721-I743 HydrophobicContact CD1-CD1 4.03Å; T724-I743 HydrophobicContact CG2-CG1 3.73Å; E739-I743 HydrophobicContact CB-CD1 4.11Å; E739-I743 WeakPolarHBondContact O-CB 3.38Å; E739-I743 WeakPolarHBondContact O-CD1 3.5Å; E739-I743 WeakPolarHBondContact O-CG1 3.32Å; E739-I743 PolarHBondContact O-N 2.94Å; Q740-I743 PolarHBondContact O-N 3.3Å; I743-G745 VanDerWaalsContact C-N 3.32Å; I743-G745 PolarHBondContact O-N 2.76Å; I743-V746 PolarHBondContact O-N 3.24Å; I743-N747 WeakPolarHBondContact CG2-ND2 3.32Å; I743-N747 WeakPolarHBondContact O-CB 3.4Å; I743-N747 PolarHBondContact O-N 2.82Å; I743-N747 PolarHBondContact O-ND2 3.44Å |
| 744 | Q | 88.9 | Confident | 88.9 | Confident | 92 Ų | 92 | 50.5 Ų | 50.5 | 43% | 0.43 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -56.9 | -45.6 | 175.1 | -176.5 | 68.8 | 31.8 | 0 | 0 | 111.6 | Y21 Q740 V742 N747 N748 | Y21-Q744 VanDerWaalsContact CE2-NE2 3.32Å; Y21-Q744 VanDerWaalsContact CZ-NE2 3.34Å; Y21-Q744 PolarHBondContact OH-NE2 2.63Å; Y21-Q744 PolarHBondContact OH-O 3.19Å; Y21-Q744 PolarHBondContact OH-OE1 2.82Å; Q740-Q744 WeakPolarHBondContact O-CB 3.28Å; Q740-Q744 PolarHBondContact O-N 2.58Å; Q740-Q744 VanDerWaalsContact O-N 3.11Å; V742-Q744 VanDerWaalsContact C-N 3.32Å; V742-Q744 PolarHBondContact O-N 3.17Å; Q744-N747 PolarHBondContact O-N 2.87Å; Q744-N748 WeakPolarHBondContact O-CB 3.43Å; Q744-N748 PolarHBondContact O-N 2.95Å; Q744-N748 PolarHBondContact O-ND2 2.73Å |
| 745 | G | 91 | Very high | 88.9 | Confident | 38 Ų | 38 | 50.6 Ų | 50.6 | 39% | 0.392 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.4 | -41.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | D741 V742 I743 W749 | D741-G745 PolarHBondContact O-N 2.81Å; V742-G745 PolarHBondContact O-N 3.2Å; I743-G745 VanDerWaalsContact C-N 3.32Å; I743-G745 PolarHBondContact O-N 2.76Å; G745-W749 PolarHBondContact O-N 3.32Å; G745-W749 VanDerWaalsContact O-N 3.1Å |
| 746 | V | 92.4 | Very high | 89 | Confident | 3 Ų | 3 | 50.1 Ų | 50.1 | 2% | 0.018 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63.5 | -48.5 | 177.1 | 169.9 | 0 | 0 | 0 | 0 | 111.2 | T720 I723 T727 V742 I743 N748 W749 L750 | T720-V746 HydrophobicContact CG2-CG1 4.22Å; I723-V746 HydrophobicContact CB-CG1 3.89Å; I723-V746 HydrophobicContact CB-CG2 4.4Å; I723-V746 HydrophobicContact CD1-CG1 4.18Å; I723-V746 HydrophobicContact CG2-CB 4.38Å; I723-V746 HydrophobicContact CG2-CG1 3.75Å; I723-V746 HydrophobicContact CG2-CG2 3.7Å; T727-V746 HydrophobicContact CG2-CG2 4.32Å; V742-V746 WeakPolarHBondContact O-CG2 3.48Å; V742-V746 PolarHBondContact O-N 3Å; I743-V746 PolarHBondContact O-N 3.24Å; V746-N748 VanDerWaalsContact C-N 3.33Å; V746-N748 PolarHBondContact O-N 2.93Å; V746-W749 WeakPolarHBondContact O-CB 3.46Å; V746-W749 PolarHBondContact O-N 3.39Å; V746-L750 HydrophobicContact CG1-CD1 3.98Å; V746-L750 HydrophobicContact CG1-CG 4.33Å; V746-L750 WeakPolarHBondContact O-CG 3.45Å; V746-L750 PolarHBondContact O-N 2.68Å |
| 747 | N | 89.8 | Confident | 88.9 | Confident | 26 Ų | 26 | 44.3 Ų | 44.3 | 14% | 0.139 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.4 | -41.5 | 179.3 | -73.2 | -26.3 | 0 | 0 | 0 | 112 | Y21 T720 I743 Q744 W749 L750 Y751 | Y21-N747 HydrophobicContact CE1-CB 3.66Å; Y21-N747 WeakPolarHBondContact OH-CB 3.41Å; T720-N747 WeakPolarHBondContact CG2-OD1 3.45Å; I743-N747 WeakPolarHBondContact CG2-ND2 3.32Å; I743-N747 WeakPolarHBondContact O-CB 3.4Å; I743-N747 PolarHBondContact O-N 2.82Å; I743-N747 PolarHBondContact O-ND2 3.44Å; Q744-N747 PolarHBondContact O-N 2.87Å; N747-W749 VanDerWaalsContact C-N 3.29Å; N747-W749 PolarHBondContact O-N 2.76Å; N747-L750 PolarHBondContact O-N 3.45Å; N747-Y751 WeakPolarHBondContact O-CB 3.37Å; N747-Y751 PolarHBondContact O-N 3.06Å |
| 748 | N | 91.3 | Very high | 88.8 | Confident | 73 Ų | 73 | 45.1 Ų | 45.1 | 39% | 0.39 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -59.8 | -39.5 | 173.8 | -73.5 | -13 | 0 | 0 | 0 | 112 | Q744 V746 K752 | Q744-N748 WeakPolarHBondContact O-CB 3.43Å; Q744-N748 PolarHBondContact O-N 2.95Å; Q744-N748 PolarHBondContact O-ND2 2.73Å; V746-N748 VanDerWaalsContact C-N 3.33Å; V746-N748 PolarHBondContact O-N 2.93Å; N748-K752 VanDerWaalsContact O-CG 3.31Å; N748-K752 WeakPolarHBondContact O-CG 3.36Å; N748-K752 PolarHBondContact O-N 2.87Å |
| 749 | W | 94.1 | Very high | 89 | Confident | 9 Ų | 9 | 43.4 Ų | 43.4 | 3% | 0.034 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -69.7 | -44.6 | 176.7 | 174.7 | 45.6 | 0 | 0 | 0 | 112.4 | I723 G745 V746 N747 Y751 K752 M753 I816 L819 Q820 T823 L854 | I723-W749 HydrophobicContact CD1-CZ3 4.29Å; I723-W749 HydrophobicContact CG2-CE3 4.33Å; I723-W749 HydrophobicContact CG2-CZ3 3.94Å; G745-W749 PolarHBondContact O-N 3.32Å; G745-W749 VanDerWaalsContact O-N 3.1Å; V746-W749 WeakPolarHBondContact O-CB 3.46Å; V746-W749 PolarHBondContact O-N 3.39Å; N747-W749 VanDerWaalsContact C-N 3.29Å; N747-W749 PolarHBondContact O-N 2.76Å; W749-Y751 VanDerWaalsContact C-N 3.31Å; W749-Y751 PolarHBondContact O-N 3.17Å; W749-K752 WeakPolarHBondContact O-CB 3.35Å; W749-K752 PolarHBondContact O-N 3.22Å; W749-K752 VanDerWaalsContact O-N 3.16Å; W749-M753 HydrophobicContact CZ2-SD 4.12Å; W749-M753 PolarHBondContact O-N 3.18Å; W749-M753 VanDerWaalsContact O-N 3.13Å; W749-I816 HydrophobicContact CH2-CG2 4.19Å; W749-I816 HydrophobicContact CZ3-CG2 3.9Å; W749-L819 HydrophobicContact CH2-CB 4.01Å; W749-L819 HydrophobicContact CH2-CD1 4.47Å; W749-L819 HydrophobicContact CZ2-CB 3.68Å; W749-Q820 HydrophobicContact CD2-CG 3.59Å; W749-Q820 VanDerWaalsContact CE2-CG 3.49Å; W749-Q820 HydrophobicContact CE3-CG 4.16Å; W749-Q820 HydrophobicContact CG-CG 3.83Å; W749-Q820 HydrophobicContact CH2-CG 4.48Å; W749-Q820 HydrophobicContact CZ2-CG 3.97Å; W749-T823 PolarHBondContact NE1-OG1 3.15Å; W749-L854 HydrophobicContact CH2-CD1 3.98Å |
| 750 | L | 91.9 | Very high | 89.3 | Confident | 2 Ų | 2 | 40.9 Ų | 40.9 | 1% | 0.01 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.7 | -41.1 | 175.7 | -68.8 | 175.9 | 0 | 0 | 0 | 111.5 | I723 V746 N747 K752 M753 N754 Y861 | I723-L750 HydrophobicContact CD1-CD1 4.16Å; I723-L750 HydrophobicContact CD1-CD2 3.82Å; I723-L750 HydrophobicContact CD1-CG 4.31Å; V746-L750 HydrophobicContact CG1-CD1 3.98Å; V746-L750 HydrophobicContact CG1-CG 4.33Å; V746-L750 WeakPolarHBondContact O-CG 3.45Å; V746-L750 PolarHBondContact O-N 2.68Å; N747-L750 PolarHBondContact O-N 3.45Å; L750-K752 VanDerWaalsContact C-N 3.34Å; L750-K752 PolarHBondContact O-N 3.05Å; L750-M753 HydrophobicContact CD2-CE 4.31Å; L750-M753 PolarHBondContact O-N 3.32Å; L750-N754 PolarHBondContact O-N 3.27Å; L750-N754 PolarHBondContact O-ND2 2.8Å; L750-Y861 HydrophobicContact CD1-CD2 4.09Å; L750-Y861 HydrophobicContact CD1-CE1 4.37Å; L750-Y861 HydrophobicContact CD1-CE2 3.76Å; L750-Y861 HydrophobicContact CD2-CD1 4.44Å; L750-Y861 HydrophobicContact CD2-CD2 4.49Å; L750-Y861 HydrophobicContact CD2-CG 4.26Å |
| 751 | Y | 89.9 | Confident | 89.7 | Confident | 99 Ų | 99 | 33.5 Ų | 33.5 | 39% | 0.388 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -58.5 | -45.1 | 174.1 | 176.1 | -103 | 0 | 0 | 0 | 112.1 | N747 W749 M753 N754 R755 | N747-Y751 WeakPolarHBondContact O-CB 3.37Å; N747-Y751 PolarHBondContact O-N 3.06Å; W749-Y751 VanDerWaalsContact C-N 3.31Å; W749-Y751 PolarHBondContact O-N 3.17Å; Y751-M753 VanDerWaalsContact C-N 3.31Å; Y751-M753 PolarHBondContact O-N 3.14Å; Y751-N754 PolarHBondContact O-N 3.45Å; Y751-R755 HydrophobicContact CD1-CG 4.34Å; Y751-R755 HydrophobicContact CE1-CG 3.86Å; Y751-R755 HydrophobicContact CE2-CG 4.23Å; Y751-R755 PolarHBondContact O-N 2.78Å |
| 752 | K | 93.3 | Very high | 90.4 | Very high | 65 Ų | 65 | 30.9 Ų | 30.9 | 28% | 0.283 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -58.3 | -41.9 | 176.8 | -74.7 | 170.1 | -178.1 | -174.6 | 0 | 112.4 | N748 W749 L750 R755 L756 T823 E824 | N748-K752 VanDerWaalsContact O-CG 3.31Å; N748-K752 WeakPolarHBondContact O-CG 3.36Å; N748-K752 PolarHBondContact O-N 2.87Å; W749-K752 WeakPolarHBondContact O-CB 3.35Å; W749-K752 PolarHBondContact O-N 3.22Å; W749-K752 VanDerWaalsContact O-N 3.16Å; L750-K752 VanDerWaalsContact C-N 3.34Å; L750-K752 PolarHBondContact O-N 3.05Å; K752-R755 PolarHBondContact O-N 3.02Å; K752-L756 PolarHBondContact O-N 3.37Å; K752-T823 HydrophobicContact CB-CG2 4.22Å; K752-E824 WeakPolarHBondContact CD-OE1 3.4Å; K752-E824 WeakPolarHBondContact CE-OE1 3.42Å; K752-E824 IonicContact NZ-OE1 2.81Å; K752-E824 PolarHBondContact NZ-OE1 3.38Å |
| 753 | M | 93.4 | Very high | 90.5 | Very high | 3 Ų | 3 | 31.8 Ų | 31.8 | 2% | 0.015 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -67.1 | -40.8 | 177.3 | -65 | -146.6 | -48.7 | 0 | 0 | 112.5 | W749 L750 Y751 R755 L756 V757 T823 L850 L854 L865 | W749-M753 HydrophobicContact CZ2-SD 4.12Å; W749-M753 PolarHBondContact O-N 3.18Å; W749-M753 VanDerWaalsContact O-N 3.13Å; L750-M753 HydrophobicContact CD2-CE 4.31Å; L750-M753 PolarHBondContact O-N 3.32Å; Y751-M753 VanDerWaalsContact C-N 3.31Å; Y751-M753 PolarHBondContact O-N 3.14Å; M753-R755 VanDerWaalsContact C-N 3.28Å; M753-R755 PolarHBondContact O-N 3.23Å; M753-L756 WeakPolarHBondContact O-CB 3.35Å; M753-L756 PolarHBondContact O-N 3.2Å; M753-L756 VanDerWaalsContact O-N 3.08Å; M753-V757 PolarHBondContact O-N 3.35Å; M753-T823 HydrophobicContact CG-CG2 3.87Å; M753-L850 HydrophobicContact SD-CD1 4.26Å; M753-L850 HydrophobicContact SD-CD2 3.91Å; M753-L850 HydrophobicContact SD-CG 4.09Å; M753-L854 HydrophobicContact CE-CD2 3.17Å; M753-L854 HydrophobicContact SD-CD2 4.35Å; M753-L865 HydrophobicContact CB-CD1 4.3Å; M753-L865 HydrophobicContact CE-CD1 3.32Å |
| 754 | N | 91.1 | Very high | 90.1 | Very high | 9 Ų | 9 | 31.5 Ų | 31.5 | 5% | 0.048 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -58.7 | -42.5 | 175 | -75.5 | -64.3 | 0 | 0 | 0 | 111.5 | Y22 L750 Y751 L756 V757 E758 L865 | Y22-N754 HydrophobicContact CE2-CB 4.33Å; Y22-N754 WeakPolarHBondContact CE2-ND2 3.3Å; Y22-N754 PolarHBondContact OH-ND2 2.96Å; Y22-N754 VanDerWaalsContact OH-ND2 3.11Å; Y22-N754 PolarHBondContact OH-OD1 3.42Å; L750-N754 PolarHBondContact O-N 3.27Å; L750-N754 PolarHBondContact O-ND2 2.8Å; Y751-N754 PolarHBondContact O-N 3.45Å; N754-L756 VanDerWaalsContact C-N 3.26Å; N754-L756 PolarHBondContact O-N 3.22Å; N754-V757 PolarHBondContact O-N 3.08Å; N754-V757 VanDerWaalsContact O-N 3.11Å; N754-E758 WeakPolarHBondContact O-CG 3.27Å; N754-E758 PolarHBondContact O-N 2.83Å; N754-L865 VanDerWaalsContact OD1-CD2 3.27Å; N754-L865 WeakPolarHBondContact OD1-CD2 3.45Å |
| 755 | R | 90.9 | Very high | 89.9 | Confident | 65 Ų | 65 | 31.3 Ų | 31.3 | 25% | 0.245 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59.3 | -33.9 | 175 | -69.9 | -60.1 | -60.7 | 160 | -1 | 113.1 | Y751 K752 M753 E758 Q759 | Y751-R755 HydrophobicContact CD1-CG 4.34Å; Y751-R755 HydrophobicContact CE1-CG 3.86Å; Y751-R755 HydrophobicContact CE2-CG 4.23Å; Y751-R755 PolarHBondContact O-N 2.78Å; K752-R755 PolarHBondContact O-N 3.02Å; M753-R755 VanDerWaalsContact C-N 3.28Å; M753-R755 PolarHBondContact O-N 3.23Å; R755-E758 VanDerWaalsContact CD-OE2 3.26Å; R755-E758 WeakPolarHBondContact CD-OE2 3.41Å; R755-E758 IonicContact CZ-OE2 3.89Å; R755-E758 IonicContact NE-OE2 2.68Å; R755-E758 IonicContact NH1-OE2 3.07Å; R755-E758 PolarHBondContact NH1-OE2 2.82Å; R755-E758 PolarHBondContact O-N 3.32Å; R755-Q759 WeakPolarHBondContact O-CB 3.21Å; R755-Q759 WeakPolarHBondContact O-CG 3.3Å; R755-Q759 PolarHBondContact O-N 3.23Å |
| 756 | L | 93.1 | Very high | 89.6 | Confident | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.01 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.8 | -43 | 175.1 | -63.8 | 171.4 | 0 | 0 | 0 | 111.5 | K752 M753 N754 L760 T823 L826 R827 Y843 L847 | K752-L756 PolarHBondContact O-N 3.37Å; M753-L756 WeakPolarHBondContact O-CB 3.35Å; M753-L756 PolarHBondContact O-N 3.2Å; M753-L756 VanDerWaalsContact O-N 3.08Å; N754-L756 VanDerWaalsContact C-N 3.26Å; N754-L756 PolarHBondContact O-N 3.22Å; L756-L760 PolarHBondContact O-N 3.09Å; L756-T823 HydrophobicContact CD1-CG2 4.01Å; L756-L826 HydrophobicContact CD1-CB 3.95Å; L756-L826 HydrophobicContact CD1-CD1 4.22Å; L756-L826 HydrophobicContact CD2-CB 4.13Å; L756-R827 HydrophobicContact CD1-CG 4.5Å; L756-R827 HydrophobicContact CD2-CG 3.76Å; L756-R827 HydrophobicContact CG-CG 4.32Å; L756-Y843 VanDerWaalsContact CD2-OH 3.22Å; L756-Y843 WeakPolarHBondContact CD2-OH 3.39Å; L756-L847 HydrophobicContact CB-CD1 4.05Å; L756-L847 HydrophobicContact CD1-CD1 4.26Å |
| 757 | V | 91.1 | Very high | 89.1 | Confident | 4 Ų | 4 | 34.9 Ų | 34.9 | 2% | 0.024 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -72.5 | -36.4 | 177.8 | 178.1 | 0 | 0 | 0 | 0 | 111.7 | M753 N754 L760 I761 L847 I851 L865 I869 | M753-V757 PolarHBondContact O-N 3.35Å; N754-V757 PolarHBondContact O-N 3.08Å; N754-V757 VanDerWaalsContact O-N 3.11Å; V757-L760 WeakPolarHBondContact O-CB 3.39Å; V757-L760 PolarHBondContact O-N 2.84Å; V757-I761 HydrophobicContact CG1-CD1 4.12Å; V757-I761 WeakPolarHBondContact O-CG1 3.46Å; V757-I761 PolarHBondContact O-N 3.34Å; V757-L847 HydrophobicContact CG2-CD2 4.36Å; V757-I851 HydrophobicContact CG2-CD1 4.42Å; V757-L865 HydrophobicContact CB-CD2 4.24Å; V757-L865 HydrophobicContact CG2-CB 4.19Å; V757-L865 HydrophobicContact CG2-CD2 3.68Å; V757-I869 HydrophobicContact CG2-CG1 4.45Å |
| 758 | E | 88.5 | Confident | 88.5 | Confident | 28 Ų | 28 | 39 Ų | 39 | 13% | 0.131 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.2 | -43.2 | 174.4 | -73.2 | -178.4 | 157.3 | 0 | 0 | 111.8 | N754 R755 L760 I761 E762 | N754-E758 WeakPolarHBondContact O-CG 3.27Å; N754-E758 PolarHBondContact O-N 2.83Å; R755-E758 VanDerWaalsContact CD-OE2 3.26Å; R755-E758 WeakPolarHBondContact CD-OE2 3.41Å; R755-E758 IonicContact CZ-OE2 3.89Å; R755-E758 IonicContact NE-OE2 2.68Å; R755-E758 IonicContact NH1-OE2 3.07Å; R755-E758 PolarHBondContact NH1-OE2 2.82Å; R755-E758 PolarHBondContact O-N 3.32Å; E758-L760 VanDerWaalsContact C-N 3.27Å; E758-L760 PolarHBondContact O-N 3.32Å; E758-I761 PolarHBondContact O-N 3.21Å; E758-I761 VanDerWaalsContact O-N 3.12Å; E758-E762 WeakPolarHBondContact O-CB 3.44Å; E758-E762 WeakPolarHBondContact O-CG 3.12Å; E758-E762 PolarHBondContact O-N 3.3Å |
| 759 | Q | 89.9 | Confident | 88.2 | Confident | 18 Ų | 18 | 43 Ų | 43 | 8% | 0.084 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.4 | -39.4 | 174.6 | -75.8 | 171.6 | -1.1 | 0 | 0 | 112 | R755 Y763 H832 | R755-Q759 WeakPolarHBondContact O-CB 3.21Å; R755-Q759 WeakPolarHBondContact O-CG 3.3Å; R755-Q759 PolarHBondContact O-N 3.23Å; Q759-Y763 VanDerWaalsContact O-CB 3.3Å; Q759-Y763 WeakPolarHBondContact O-CB 3.33Å; Q759-Y763 PolarHBondContact O-N 3.27Å; Q759-H832 PolarHBondContact NE2-CE1 2.84Å; Q759-H832 PolarHBondContact NE2-ND1 3Å; Q759-H832 VanDerWaalsContact NE2-ND1 3.14Å |
| 760 | L | 88.6 | Confident | 87.7 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.2 | -45.4 | 173.9 | 175.2 | 63.7 | 0 | 0 | 0 | 111.7 | L756 V757 E758 Y763 S764 W774 P838 L844 L847 I869 A872 | L756-L760 PolarHBondContact O-N 3.09Å; V757-L760 WeakPolarHBondContact O-CB 3.39Å; V757-L760 PolarHBondContact O-N 2.84Å; E758-L760 VanDerWaalsContact C-N 3.27Å; E758-L760 PolarHBondContact O-N 3.32Å; L760-Y763 PolarHBondContact O-N 3.33Å; L760-S764 PolarHBondContact O-N 2.85Å; L760-W774 HydrophobicContact CD1-CH2 3.57Å; L760-W774 HydrophobicContact CD1-CZ2 3.97Å; L760-P838 HydrophobicContact CB-CG 4.32Å; L760-P838 HydrophobicContact CD1-CB 3.74Å; L760-P838 HydrophobicContact CD1-CG 4.09Å; L760-L844 HydrophobicContact CD1-CD2 3.28Å; L760-L844 HydrophobicContact CD2-CD2 4.18Å; L760-L844 HydrophobicContact CG-CD2 4.36Å; L760-L847 HydrophobicContact CD2-CD2 4.1Å; L760-I869 HydrophobicContact CD2-CB 4.25Å; L760-I869 HydrophobicContact CD2-CG1 3.85Å; L760-I869 HydrophobicContact CD2-CG2 4.28Å; L760-A872 HydrophobicContact CD1-CB 4.44Å; L760-A872 HydrophobicContact CD2-CB 4.09Å; L760-A872 HydrophobicContact CG-CB 3.71Å |
| 761 | I | 86.4 | Confident | 87 | Confident | 3 Ų | 3 | 53.1 Ų | 53.1 | 2% | 0.015 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.7 | -45.2 | 178.5 | -67.3 | 167.4 | 0 | 0 | 0 | 111.1 | Y12 V757 E758 Y763 S764 K765 F871 A872 | Y12-I761 HydrophobicContact CD1-CD1 3.14Å; Y12-I761 HydrophobicContact CE1-CD1 3.29Å; Y12-I761 HydrophobicContact CG-CD1 3.86Å; V757-I761 HydrophobicContact CG1-CD1 4.12Å; V757-I761 WeakPolarHBondContact O-CG1 3.46Å; V757-I761 PolarHBondContact O-N 3.34Å; E758-I761 PolarHBondContact O-N 3.21Å; E758-I761 VanDerWaalsContact O-N 3.12Å; I761-Y763 VanDerWaalsContact C-N 3.34Å; I761-Y763 PolarHBondContact O-N 3.29Å; I761-S764 PolarHBondContact O-N 3Å; I761-S764 PolarHBondContact O-OG 3.31Å; I761-K765 HydrophobicContact CG2-CD 4.34Å; I761-K765 WeakPolarHBondContact O-CG 3.46Å; I761-K765 PolarHBondContact O-N 3.07Å; I761-F871 HydrophobicContact CD1-CD1 4.3Å; I761-F871 HydrophobicContact CG1-CD1 4.21Å; I761-F871 HydrophobicContact CG2-CD1 4.06Å; I761-F871 HydrophobicContact CG2-CE1 3.91Å; I761-A872 HydrophobicContact CG1-CB 3.93Å |
| 762 | E | 87.7 | Confident | 86.1 | Confident | 77 Ų | 77 | 52.5 Ų | 52.5 | 36% | 0.36 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -57 | -48.1 | 175.5 | -74 | 169.6 | -172.2 | 0 | 0 | 110.8 | E758 S764 K765 I766 | E758-E762 WeakPolarHBondContact O-CB 3.44Å; E758-E762 WeakPolarHBondContact O-CG 3.12Å; E758-E762 PolarHBondContact O-N 3.3Å; E762-S764 PolarHBondContact O-N 3.41Å; E762-K765 PolarHBondContact O-N 2.96Å; E762-I766 WeakPolarHBondContact O-CG1 3.43Å; E762-I766 PolarHBondContact O-N 3.3Å; E762-I766 VanDerWaalsContact O-N 3.07Å |
| 763 | Y | 86.7 | Confident | 85 | Confident | 46 Ų | 46 | 53.7 Ų | 53.7 | 18% | 0.18 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.5 | -46.3 | 176.6 | -175.6 | -97.7 | 0 | 0 | 0 | 112.1 | Q759 L760 I761 K765 I766 I767 W774 I831 P838 S839 | Q759-Y763 VanDerWaalsContact O-CB 3.3Å; Q759-Y763 WeakPolarHBondContact O-CB 3.33Å; Q759-Y763 PolarHBondContact O-N 3.27Å; L760-Y763 PolarHBondContact O-N 3.33Å; I761-Y763 VanDerWaalsContact C-N 3.34Å; I761-Y763 PolarHBondContact O-N 3.29Å; Y763-K765 VanDerWaalsContact C-N 3.27Å; Y763-K765 PolarHBondContact O-N 3.28Å; Y763-I766 PolarHBondContact O-N 3.32Å; Y763-I766 VanDerWaalsContact O-N 3.16Å; Y763-I767 HydrophobicContact CD1-CG1 4.01Å; Y763-I767 HydrophobicContact CE1-CD1 4.06Å; Y763-I767 HydrophobicContact CE1-CG1 3.59Å; Y763-I767 HydrophobicContact CE2-CD1 4.41Å; Y763-I767 HydrophobicContact CE2-CG1 4.34Å; Y763-I767 WeakPolarHBondContact O-CG1 3.26Å; Y763-I767 PolarHBondContact O-N 2.99Å; Y763-W774 HydrophobicContact CD1-CZ2 4.1Å; Y763-W774 HydrophobicContact CE1-CD2 4.45Å; Y763-W774 AromaticContact CE1-CE2 3.82Å; Y763-W774 HydrophobicContact CE1-CZ2 4.2Å; Y763-W774 AromaticContact CE1-NE1 3.6Å; Y763-I831 HydrophobicContact CD2-CD1 3.43Å; Y763-I831 VanDerWaalsContact CD2-CD1 3.43Å; Y763-I831 HydrophobicContact CE2-CD1 3.97Å; Y763-I831 HydrophobicContact CG-CD1 4.19Å; Y763-P838 HydrophobicContact CD1-CB 3.55Å; Y763-P838 HydrophobicContact CD2-CB 4.49Å; Y763-P838 HydrophobicContact CE1-CB 4.17Å; Y763-P838 HydrophobicContact CG-CB 3.73Å; Y763-P838 HydrophobicContact CG-CG 4.25Å; Y763-S839 WeakPolarHBondContact OH-CB 3.38Å |
| 764 | S | 82.7 | Confident | 84.1 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.7 | -37.4 | 179 | 79.5 | 0 | 0 | 0 | 0 | 112.6 | L760 I761 E762 H768 A872 T875 | L760-S764 PolarHBondContact O-N 2.85Å; I761-S764 PolarHBondContact O-N 3Å; I761-S764 PolarHBondContact O-OG 3.31Å; E762-S764 PolarHBondContact O-N 3.41Å; S764-H768 WeakPolarHBondContact O-CB 3.4Å; S764-H768 PolarHBondContact O-N 3.15Å; S764-A872 VanDerWaalsContact CB-O 3.29Å; S764-A872 WeakPolarHBondContact CB-O 3.06Å; S764-T875 PolarHBondContact OG-OG1 2.92Å |
| 765 | K | 84.4 | Confident | 83.3 | Confident | 88 Ų | 88 | 61 Ų | 61 | 38% | 0.383 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -68.1 | -42.2 | 177 | -72.8 | 172.8 | -179 | 172.7 | 0 | 111.5 | I761 E762 Y763 H768 Q769 | I761-K765 HydrophobicContact CG2-CD 4.34Å; I761-K765 WeakPolarHBondContact O-CG 3.46Å; I761-K765 PolarHBondContact O-N 3.07Å; E762-K765 PolarHBondContact O-N 2.96Å; Y763-K765 VanDerWaalsContact C-N 3.27Å; Y763-K765 PolarHBondContact O-N 3.28Å; K765-H768 PolarHBondContact O-N 2.95Å; K765-Q769 WeakPolarHBondContact O-CB 3.49Å; K765-Q769 VanDerWaalsContact O-CG 3.24Å; K765-Q769 WeakPolarHBondContact O-CG 3.49Å; K765-Q769 PolarHBondContact O-N 3.3Å |
| 766 | I | 84.4 | Confident | 82.6 | Confident | 95 Ų | 95 | 59.4 Ų | 59.4 | 49% | 0.487 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.9 | -47.2 | 177.6 | -67.6 | 165.2 | 0 | 0 | 0 | 109.9 | E762 Y763 H768 Q769 S770 | E762-I766 WeakPolarHBondContact O-CG1 3.43Å; E762-I766 PolarHBondContact O-N 3.3Å; E762-I766 VanDerWaalsContact O-N 3.07Å; Y763-I766 PolarHBondContact O-N 3.32Å; Y763-I766 VanDerWaalsContact O-N 3.16Å; I766-H768 PolarHBondContact O-N 3.02Å; I766-Q769 PolarHBondContact O-N 3.45Å; I766-S770 WeakPolarHBondContact O-CB 3.37Å; I766-S770 PolarHBondContact O-N 3.4Å; I766-S770 PolarHBondContact O-OG 2.94Å |
| 767 | I | 81.4 | Confident | 81.7 | Confident | 20 Ų | 20 | 64.5 Ų | 64.5 | 10% | 0.103 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.5 | -47.2 | 178.2 | -67.8 | -74 | 0 | 0 | 0 | 110.9 | Y763 Q769 S770 N771 V772 W774 | Y763-I767 HydrophobicContact CD1-CG1 4.01Å; Y763-I767 HydrophobicContact CE1-CD1 4.06Å; Y763-I767 HydrophobicContact CE1-CG1 3.59Å; Y763-I767 HydrophobicContact CE2-CD1 4.41Å; Y763-I767 HydrophobicContact CE2-CG1 4.34Å; Y763-I767 WeakPolarHBondContact O-CG1 3.26Å; Y763-I767 PolarHBondContact O-N 2.99Å; I767-Q769 PolarHBondContact O-N 3.39Å; I767-S770 PolarHBondContact O-N 2.87Å; I767-S770 VanDerWaalsContact O-N 3.11Å; I767-N771 PolarHBondContact O-N 3.01Å; I767-V772 WeakPolarHBondContact CG2-O 3.34Å; I767-V772 PolarHBondContact O-N 2.83Å; I767-W774 HydrophobicContact CG2-CB 4.03Å |
| 768 | H | 78.7 | Confident | 80.7 | Confident | 114 Ų | 114 | 65.5 Ų | 65.5 | 53% | 0.528 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -59.7 | -43.6 | 177.5 | -175.2 | 73.4 | 0 | 0 | 0 | 112.4 | S764 K765 I766 S770 N771 T875 | S764-H768 WeakPolarHBondContact O-CB 3.4Å; S764-H768 PolarHBondContact O-N 3.15Å; K765-H768 PolarHBondContact O-N 2.95Å; I766-H768 PolarHBondContact O-N 3.02Å; H768-S770 VanDerWaalsContact C-N 3.26Å; H768-S770 PolarHBondContact O-N 3.22Å; H768-N771 PolarHBondContact O-N 3.14Å; H768-T875 PolarHBondContact ND1-O 2.83Å |
| 769 | Q | 83.9 | Confident | 80 | Confident | 157 Ų | 157 | 67.1 Ų | 67.1 | 73% | 0.734 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -66.2 | -28.6 | 176.4 | -74.7 | 173 | -12 | 0 | 0 | 113.1 | K765 I766 I767 N771 | K765-Q769 WeakPolarHBondContact O-CB 3.49Å; K765-Q769 VanDerWaalsContact O-CG 3.24Å; K765-Q769 WeakPolarHBondContact O-CG 3.49Å; K765-Q769 PolarHBondContact O-N 3.3Å; I766-Q769 PolarHBondContact O-N 3.45Å; I767-Q769 PolarHBondContact O-N 3.39Å; Q769-N771 VanDerWaalsContact C-N 3.31Å |
| 770 | S | 83.7 | Confident | 79.3 | Confident | 68 Ų | 68 | 71.8 Ų | 71.8 | 48% | 0.476 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -5.2 | -178.8 | -52.1 | 0 | 0 | 0 | 0 | 113.1 | I766 I767 H768 V772 | I766-S770 WeakPolarHBondContact O-CB 3.37Å; I766-S770 PolarHBondContact O-N 3.4Å; I766-S770 PolarHBondContact O-OG 2.94Å; I767-S770 PolarHBondContact O-N 2.87Å; I767-S770 VanDerWaalsContact O-N 3.11Å; H768-S770 VanDerWaalsContact C-N 3.26Å; H768-S770 PolarHBondContact O-N 3.22Å; S770-V772 PolarHBondContact O-N 3.28Å |
| 771 | N | 76.5 | Confident | 79 | Confident | 155 Ų | 155 | 75.7 Ų | 75.7 | 83% | 0.829 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | 29.6 | -171.9 | -81.7 | -14 | 0 | 0 | 0 | 114 | I767 H768 Q769 | I767-N771 PolarHBondContact O-N 3.01Å; H768-N771 PolarHBondContact O-N 3.14Å; Q769-N771 VanDerWaalsContact C-N 3.31Å |
| 772 | V | 71.4 | Confident | 78.9 | Confident | 85 Ų | 85 | 75.5 Ų | 75.5 | 52% | 0.515 | 39% | 0.388 | S | S | . | . | trans | -96.6 | 138.7 | 176.4 | -177.5 | 0 | 0 | 0 | 0 | 108.8 | I767 S770 W774 | I767-V772 WeakPolarHBondContact CG2-O 3.34Å; I767-V772 PolarHBondContact O-N 2.83Å; S770-V772 PolarHBondContact O-N 3.28Å; V772-W774 PolarHBondContact O-N 2.74Å | ||
| 773 | S | 69.7 | Low | 78.8 | Confident | 90 Ų | 90 | 73.8 Ų | 73.8 | 63% | 0.629 | 38% | 0.384 | S | S | * | . | trans | -71.8 | 129.3 | 173.7 | 109.6 | 0 | 0 | 0 | 0 | 109.6 | E775 | S773-E775 VanDerWaalsContact C-N 3.32Å; S773-E775 PolarHBondContact O-N 2.94Å | ||
| 774 | W | 75.8 | Confident | 78.9 | Confident | 15 Ų | 15 | 71.6 Ų | 71.6 | 6% | 0.057 | 38% | 0.375 | C | S | . | . | trans | -75.8 | 84.5 | 174.1 | -168.5 | 3.7 | 0 | 0 | 0 | 110.3 | L760 Y763 I767 V772 P838 L844 S876 T877 | L760-W774 HydrophobicContact CD1-CH2 3.57Å; L760-W774 HydrophobicContact CD1-CZ2 3.97Å; Y763-W774 HydrophobicContact CD1-CZ2 4.1Å; Y763-W774 HydrophobicContact CE1-CD2 4.45Å; Y763-W774 AromaticContact CE1-CE2 3.82Å; Y763-W774 HydrophobicContact CE1-CZ2 4.2Å; Y763-W774 AromaticContact CE1-NE1 3.6Å; I767-W774 HydrophobicContact CG2-CB 4.03Å; V772-W774 PolarHBondContact O-N 2.74Å; W774-P838 HydrophobicContact CZ2-CB 4.28Å; W774-P838 VanDerWaalsContact CZ2-O 3.24Å; W774-P838 WeakPolarHBondContact CZ2-O 3.22Å; W774-P838 PolarHBondContact NE1-O 2.97Å; W774-L844 HydrophobicContact CH2-CD1 4.17Å; W774-L844 HydrophobicContact CH2-CD2 4.33Å; W774-L844 HydrophobicContact CZ2-CD1 3.72Å; W774-L844 HydrophobicContact CZ2-CD2 4.12Å; W774-L844 HydrophobicContact CZ2-CG 4.45Å; W774-S876 WeakPolarHBondContact CZ3-OG 3.43Å; W774-T877 HydrophobicContact CB-CG2 3.72Å; W774-T877 HydrophobicContact CE3-CG2 4.28Å | ||
| 775 | E | 73.5 | Confident | 79 | Confident | 152 Ų | 152 | 72.6 Ų | 72.6 | 71% | 0.71 | 38% | 0.381 | S | S | * | . | trans | -85.7 | 117.7 | -178.9 | -162 | 179 | -172.2 | 0 | 0 | 110.9 | S773 | S773-E775 VanDerWaalsContact C-N 3.32Å; S773-E775 PolarHBondContact O-N 2.94Å | ||
| 776 | L | 77 | Confident | 78.9 | Confident | 31 Ų | 31 | 74.1 Ų | 74.1 | 16% | 0.162 | 39% | 0.391 | C | S | . | . | trans | -100.3 | 111.7 | -177.9 | -71 | 171.2 | 0 | 0 | 0 | 110.7 | F841 L844 I884 | L776-F841 HydrophobicContact CB-CB 4.26Å; L776-L844 HydrophobicContact CD1-CD1 3.58Å; L776-L844 HydrophobicContact CD2-CD1 3.7Å; L776-L844 HydrophobicContact CG-CD1 4.3Å; L776-I884 HydrophobicContact CD1-CD1 4.36Å; L776-I884 HydrophobicContact CD1-CG1 4.32Å; L776-I884 HydrophobicContact CD1-CG2 3.61Å | ||
| 777 | K | 73.3 | Confident | 78.9 | Confident | 108 Ų | 108 | 74.4 Ų | 74.4 | 47% | 0.47 | 39% | 0.39 | S | S | . | . | trans | -82.4 | 129.4 | 174.4 | -62.2 | -176.1 | -178.2 | -178.6 | 0 | 110.1 | N781 D782 F841 | K777-N781 HydrophobicContact CD-CB 4.22Å; K777-D782 VanDerWaalsContact O-OD2 3.13Å; K777-F841 WeakPolarHBondContact O-CB 3.42Å | ||
| 778 | C | 69.8 | Low | 79.1 | Confident | 26 Ų | 26 | 75.1 Ų | 75.1 | 18% | 0.176 | 39% | 0.394 | C | S | . | . | trans | -115.4 | 8.8 | -174.5 | 50.9 | 0 | 0 | 0 | 0 | 114.1 | F841 H888 | C778-F841 HydrophobicContact CB-CB 4.48Å; C778-F841 HydrophobicContact CB-CD1 3.84Å; C778-F841 HydrophobicContact CB-CE1 4.23Å; C778-F841 HydrophobicContact CB-CG 4.07Å; C778-H888 VanDerWaalsContact SG-CD2 3.55Å | ||
| 779 | D | 74.2 | Confident | 79.2 | Confident | 62 Ų | 62 | 73.2 Ų | 73.2 | 33% | 0.332 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -105.5 | -164.2 | -179.3 | 65.2 | 4 | 0 | 0 | 0 | 111.8 | N781 D782 | D779-N781 PolarHBondContact O-N 3.27Å; D779-N781 WeakPolarHBondContact OD1-CA 3.26Å; D779-N781 WeakPolarHBondContact OD1-CB 3.12Å; D779-N781 PolarHBondContact OD1-N 3.31Å; D779-N781 PolarHBondContact OD1-ND2 2.99Å; D779-N781 PolarHBondContact OD2-ND2 2.94Å; D779-D782 WeakPolarHBondContact O-CB 3.47Å; D779-D782 PolarHBondContact O-N 3.23Å |
| 780 | I | 76.3 | Confident | 79.3 | Confident | 116 Ų | 116 | 69.8 Ų | 69.8 | 60% | 0.595 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -16.4 | 175.4 | -166.6 | 161.9 | 0 | 0 | 0 | 113.3 | D782 | I780-D782 VanDerWaalsContact C-N 3.32Š|
| 781 | N | 81.6 | Confident | 79.6 | Confident | 81 Ų | 81 | 66.6 Ų | 66.6 | 43% | 0.433 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 8.2 | 177 | -49.1 | -63.6 | 0 | 0 | 0 | 112.9 | K777 D779 | K777-N781 HydrophobicContact CD-CB 4.22Å; D779-N781 PolarHBondContact O-N 3.27Å; D779-N781 WeakPolarHBondContact OD1-CA 3.26Å; D779-N781 WeakPolarHBondContact OD1-CB 3.12Å; D779-N781 PolarHBondContact OD1-N 3.31Å; D779-N781 PolarHBondContact OD1-ND2 2.99Å; D779-N781 PolarHBondContact OD2-ND2 2.94Å |
| 782 | D | 85 | Confident | 79.9 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 32% | 0.318 | C | S | . | . | trans | -55.2 | 125.5 | 169.4 | -176.2 | -58.9 | 0 | 0 | 0 | 108.9 | K777 D779 I780 L784 L785 I786 S840 F841 L842 | K777-D782 VanDerWaalsContact O-OD2 3.13Å; D779-D782 WeakPolarHBondContact O-CB 3.47Å; D779-D782 PolarHBondContact O-N 3.23Å; I780-D782 VanDerWaalsContact C-N 3.32Å; D782-L784 PolarHBondContact O-N 2.85Å; D782-L784 WeakPolarHBondContact OD1-CB 3.14Å; D782-L784 PolarHBondContact OD1-N 2.69Å; D782-L785 HydrophobicContact CB-CD1 4.36Å; D782-L785 HydrophobicContact CB-CG 4.36Å; D782-L785 PolarHBondContact O-N 3.04Å; D782-I786 PolarHBondContact O-N 2.96Å; D782-S840 VanDerWaalsContact CG-OG 3.27Å; D782-S840 VanDerWaalsContact OD1-CB 3.27Å; D782-S840 WeakPolarHBondContact OD1-CB 3.26Å; D782-S840 PolarHBondContact OD1-OG 3.02Å; D782-S840 PolarHBondContact OD2-OG 3.47Å; D782-S840 VanDerWaalsContact OD2-OG 3.1Å; D782-F841 WeakPolarHBondContact OD2-CB 3.31Å; D782-F841 PolarHBondContact OD2-N 3.12Å; D782-L842 HydrophobicContact CB-CD1 4.28Å; D782-L842 PolarHBondContact OD2-N 2.77Å | ||
| 783 | P | 85.8 | Confident | 80.6 | Confident | 40 Ų | 40 | 62.1 Ų | 62.1 | 26% | 0.26 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -51.3 | -30.4 | -177.6 | -29.5 | 35.2 | 0 | 0 | 0 | 114.2 | H787 P836 | P783-H787 WeakPolarHBondContact O-CB 3.29Å; P783-H787 PolarHBondContact O-N 2.79Å; P783-P836 HydrophobicContact CB-CB 3.54Å; P783-P836 HydrophobicContact CB-CG 4.17Å |
| 784 | L | 87.7 | Confident | 81.6 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -76.1 | -33.5 | -179.6 | -171.1 | 62.9 | 0 | 0 | 0 | 113.4 | D782 I786 I788 F791 P836 S840 L842 | D782-L784 PolarHBondContact O-N 2.85Å; D782-L784 WeakPolarHBondContact OD1-CB 3.14Å; D782-L784 PolarHBondContact OD1-N 2.69Å; L784-I786 VanDerWaalsContact C-N 3.34Å; L784-I788 HydrophobicContact CD1-CD1 4.01Å; L784-I788 HydrophobicContact CD1-CG1 4.38Å; L784-I788 CarbonylContact O-C 3.55Å; L784-I788 WeakPolarHBondContact O-CA 3.48Å; L784-I788 PolarHBondContact O-N 3.21Å; L784-F791 HydrophobicContact CD1-CD2 4.11Å; L784-F791 HydrophobicContact CD1-CE2 4.43Å; L784-F791 HydrophobicContact CD1-CG 4.42Å; L784-F791 HydrophobicContact CD2-CD1 3.5Å; L784-F791 VanDerWaalsContact CD2-CD1 3.5Å; L784-F791 HydrophobicContact CD2-CD2 3.72Å; L784-F791 HydrophobicContact CD2-CE1 3.4Å; L784-F791 HydrophobicContact CD2-CE2 3.61Å; L784-F791 HydrophobicContact CD2-CG 3.68Å; L784-F791 HydrophobicContact CD2-CZ 3.46Å; L784-F791 VanDerWaalsContact CD2-CZ 3.46Å; L784-F791 HydrophobicContact CG-CB 4.28Å; L784-F791 HydrophobicContact CG-CD1 4.03Å; L784-F791 HydrophobicContact CG-CD2 3.96Å; L784-F791 HydrophobicContact CG-CE1 4.41Å; L784-F791 HydrophobicContact CG-CE2 4.32Å; L784-F791 HydrophobicContact CG-CG 3.82Å; L784-P836 HydrophobicContact CB-CG 3.97Å; L784-P836 HydrophobicContact CD1-CG 3.76Å; L784-S840 WeakPolarHBondContact CB-OG 3.39Å; L784-L842 HydrophobicContact CD2-CB 3.92Å |
| 785 | L | 84.5 | Confident | 82.2 | Confident | 22 Ų | 22 | 63.8 Ų | 63.8 | 12% | 0.115 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -69.3 | -36.6 | 172.9 | -69 | 178 | 0 | 0 | 0 | 111.2 | D782 I788 P789 F792 L842 | D782-L785 HydrophobicContact CB-CD1 4.36Å; D782-L785 HydrophobicContact CB-CG 4.36Å; D782-L785 PolarHBondContact O-N 3.04Å; L785-I788 CarbonylContact O-C 3.51Å; L785-P789 VanDerWaalsContact O-CA 3.27Å; L785-P789 WeakPolarHBondContact O-CA 3.5Å; L785-F792 HydrophobicContact CD2-CB 3.87Å; L785-L842 HydrophobicContact CD1-CD1 3.88Å; L785-L842 HydrophobicContact CD2-CD1 3.69Å; L785-L842 HydrophobicContact CG-CD1 3.51Å |
| 786 | I | 83.3 | Confident | 82.7 | Confident | 119 Ų | 119 | 59.4 Ų | 59.4 | 61% | 0.61 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -65.2 | -47.1 | 175.7 | -62.3 | 168.3 | 0 | 0 | 0 | 110 | D782 L784 | D782-I786 PolarHBondContact O-N 2.96Å; L784-I786 VanDerWaalsContact C-N 3.34Å |
| 787 | H | 83.5 | Confident | 83.4 | Confident | 101 Ų | 101 | 60.1 Ų | 60.1 | 47% | 0.468 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -75.1 | -34 | -177.7 | -167.8 | -65.6 | 0 | 0 | 0 | 112.9 | P783 G834 P836 | P783-H787 WeakPolarHBondContact O-CB 3.29Å; P783-H787 PolarHBondContact O-N 2.79Å; H787-G834 PolarHBondContact NE2-O 2.77Å; H787-P836 HydrophobicContact CB-CG 4.2Å |
| 788 | I | 85.6 | Confident | 84.4 | Confident | 36 Ų | 36 | 55.1 Ų | 55.1 | 19% | 0.185 | 28% | 0.281 | C | S | . | . | trans | -138.4 | 84.4 | -175.3 | -49.6 | -179.4 | 0 | 0 | 0 | 109.2 | L784 L785 N790 F791 S829 | L784-I788 HydrophobicContact CD1-CD1 4.01Å; L784-I788 HydrophobicContact CD1-CG1 4.38Å; L784-I788 CarbonylContact O-C 3.55Å; L784-I788 WeakPolarHBondContact O-CA 3.48Å; L784-I788 PolarHBondContact O-N 3.21Å; L785-I788 CarbonylContact O-C 3.51Å; I788-N790 PolarHBondContact O-N 3.35Å; I788-F791 HydrophobicContact CB-CB 4.05Å; I788-F791 HydrophobicContact CG2-CB 3.91Å; I788-F791 VanDerWaalsContact O-CB 3.25Å; I788-F791 WeakPolarHBondContact O-CB 3.45Å; I788-F791 PolarHBondContact O-N 2.81Å; I788-S829 WeakPolarHBondContact CD1-OG 3.36Å | ||
| 789 | P | 82.1 | Confident | 85.3 | Confident | 74 Ų | 74 | 54.5 Ų | 54.5 | 48% | 0.481 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -26.8 | -171.2 | -28 | 35 | 0 | 0 | 0 | 115.6 | L785 Y904 | L785-P789 VanDerWaalsContact O-CA 3.27Å; L785-P789 WeakPolarHBondContact O-CA 3.5Å; P789-Y904 PolarHBondContact O-OH 2.92Å |
| 790 | N | 85.7 | Confident | 85.9 | Confident | 85 Ų | 85 | 56.7 Ų | 56.7 | 46% | 0.455 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | 1.3 | -179.7 | -71.3 | -42.2 | 0 | 0 | 0 | 113.7 | I788 F792 K793 Y794 | I788-N790 PolarHBondContact O-N 3.35Å; N790-F792 VanDerWaalsContact C-N 3.29Å; N790-F792 PolarHBondContact O-N 3.27Å; N790-K793 PolarHBondContact O-N 2.83Å; N790-Y794 HydrophobicContact CB-CD2 4Å; N790-Y794 HydrophobicContact CB-CE2 3.57Å; N790-Y794 WeakPolarHBondContact O-CD2 3.45Å; N790-Y794 PolarHBondContact O-N 2.62Å |
| 791 | F | 89 | Confident | 86.8 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -51.9 | -50.7 | -176.5 | 177.9 | -88.1 | 0 | 0 | 0 | 111.2 | L784 I788 K793 Y794 Y795 L825 L826 L842 A846 | L784-F791 HydrophobicContact CD1-CD2 4.11Å; L784-F791 HydrophobicContact CD1-CE2 4.43Å; L784-F791 HydrophobicContact CD1-CG 4.42Å; L784-F791 HydrophobicContact CD2-CD1 3.5Å; L784-F791 VanDerWaalsContact CD2-CD1 3.5Å; L784-F791 HydrophobicContact CD2-CD2 3.72Å; L784-F791 HydrophobicContact CD2-CE1 3.4Å; L784-F791 HydrophobicContact CD2-CE2 3.61Å; L784-F791 HydrophobicContact CD2-CG 3.68Å; L784-F791 HydrophobicContact CD2-CZ 3.46Å; L784-F791 VanDerWaalsContact CD2-CZ 3.46Å; L784-F791 HydrophobicContact CG-CB 4.28Å; L784-F791 HydrophobicContact CG-CD1 4.03Å; L784-F791 HydrophobicContact CG-CD2 3.96Å; L784-F791 HydrophobicContact CG-CE1 4.41Å; L784-F791 HydrophobicContact CG-CE2 4.32Å; L784-F791 HydrophobicContact CG-CG 3.82Å; I788-F791 HydrophobicContact CB-CB 4.05Å; I788-F791 HydrophobicContact CG2-CB 3.91Å; I788-F791 VanDerWaalsContact O-CB 3.25Å; I788-F791 WeakPolarHBondContact O-CB 3.45Å; I788-F791 PolarHBondContact O-N 2.81Å; F791-K793 VanDerWaalsContact C-N 3.33Å; F791-K793 PolarHBondContact O-N 2.95Å; F791-Y794 PolarHBondContact O-N 2.62Å; F791-Y795 HydrophobicContact CE1-CD1 4.47Å; F791-Y795 HydrophobicContact CE1-CG 4.3Å; F791-Y795 VanDerWaalsContact O-CB 3.28Å; F791-Y795 WeakPolarHBondContact O-CB 2.84Å; F791-Y795 PolarHBondContact O-N 3.15Å; F791-L825 HydrophobicContact CD2-CD1 4Å; F791-L825 HydrophobicContact CD2-CD2 4.12Å; F791-L825 HydrophobicContact CD2-CG 3.91Å; F791-L825 HydrophobicContact CE2-CD1 4.25Å; F791-L825 HydrophobicContact CE2-CD2 3.86Å; F791-L825 HydrophobicContact CE2-CG 3.65Å; F791-L825 HydrophobicContact CZ-CD2 4.34Å; F791-L826 HydrophobicContact CZ-CD2 4.25Å; F791-L842 HydrophobicContact CE1-CB 4.28Å; F791-A846 HydrophobicContact CE1-CB 4.27Å; F791-A846 HydrophobicContact CZ-CB 3.95Å |
| 792 | F | 82.5 | Confident | 87.3 | Confident | 5 Ų | 5 | 52.2 Ų | 52.2 | 2% | 0.022 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.1 | -42.6 | -176.6 | -171.5 | -104.7 | 0 | 0 | 0 | 113.2 | L785 N790 Y795 Q796 L842 Y904 Y906 | L785-F792 HydrophobicContact CD2-CB 3.87Å; N790-F792 VanDerWaalsContact C-N 3.29Å; N790-F792 PolarHBondContact O-N 3.27Å; F792-Y795 HydrophobicContact CD2-CD1 4.14Å; F792-Y795 HydrophobicContact CE2-CD1 4.5Å; F792-Y795 HydrophobicContact CE2-CE1 4.48Å; F792-Y795 PolarHBondContact O-N 3.3Å; F792-Q796 HydrophobicContact CD1-CG 4.3Å; F792-Q796 HydrophobicContact CE1-CG 4.07Å; F792-Q796 HydrophobicContact CE2-CG 4.45Å; F792-Q796 HydrophobicContact CZ-CG 4.16Å; F792-Q796 WeakPolarHBondContact O-CB 3.3Å; F792-Q796 WeakPolarHBondContact O-CG 3.04Å; F792-Q796 PolarHBondContact O-N 2.95Å; F792-L842 HydrophobicContact CD2-CD1 4.44Å; F792-L842 HydrophobicContact CD2-CD2 3.84Å; F792-L842 HydrophobicContact CE2-CD2 4.11Å; F792-Y904 HydrophobicContact CB-CD1 4.08Å; F792-Y904 HydrophobicContact CB-CE1 4.29Å; F792-Y904 AromaticContact CD1-CD1 3.67Å; F792-Y904 HydrophobicContact CD1-CD1 3.67Å; F792-Y904 HydrophobicContact CE1-CD1 4.41Å; F792-Y904 HydrophobicContact CG-CD1 4.15Å; F792-Y906 HydrophobicContact CD2-CE1 4.5Å; F792-Y906 AromaticContact CE2-CD1 3.64Å; F792-Y906 HydrophobicContact CE2-CD1 3.64Å; F792-Y906 HydrophobicContact CE2-CD2 4.42Å; F792-Y906 AromaticContact CE2-CE1 3.49Å; F792-Y906 HydrophobicContact CE2-CE1 3.49Å; F792-Y906 VanDerWaalsContact CE2-CE1 3.49Å; F792-Y906 HydrophobicContact CE2-CE2 4.3Å; F792-Y906 HydrophobicContact CE2-CG 4.13Å; F792-Y906 AromaticContact CE2-CZ 3.86Å; F792-Y906 AromaticContact CZ-CD1 3.8Å; F792-Y906 HydrophobicContact CZ-CD1 3.8Å; F792-Y906 HydrophobicContact CZ-CD2 4.2Å; F792-Y906 HydrophobicContact CZ-CE1 4.1Å; F792-Y906 HydrophobicContact CZ-CE2 4.47Å; F792-Y906 AromaticContact CZ-CG 3.87Å; F792-Y906 HydrophobicContact CZ-CG 3.87Å |
| 793 | K | 85.6 | Confident | 87.5 | Confident | 142 Ų | 142 | 52.8 Ų | 52.8 | 62% | 0.617 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -63.3 | -43.5 | 178.2 | -176.4 | 179.8 | 178.3 | 179.4 | 0 | 111.8 | N790 F791 S797 | N790-K793 PolarHBondContact O-N 2.83Å; F791-K793 VanDerWaalsContact C-N 3.33Å; F791-K793 PolarHBondContact O-N 2.95Å; K793-S797 WeakPolarHBondContact O-CB 3.33Å; K793-S797 PolarHBondContact O-N 3.45Å |
| 794 | Y | 91.2 | Very high | 87.8 | Confident | 129 Ų | 129 | 54.2 Ų | 54.2 | 51% | 0.506 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -67.7 | -46.6 | 177.8 | -67.7 | -55.1 | 0 | 0 | 0 | 111.7 | N790 F791 Q796 S797 I798 | N790-Y794 HydrophobicContact CB-CD2 4Å; N790-Y794 HydrophobicContact CB-CE2 3.57Å; N790-Y794 WeakPolarHBondContact O-CD2 3.45Å; N790-Y794 PolarHBondContact O-N 2.62Å; F791-Y794 PolarHBondContact O-N 2.62Å; Y794-Q796 PolarHBondContact O-N 2.86Å; Y794-S797 PolarHBondContact O-N 2.93Å; Y794-I798 WeakPolarHBondContact O-CG1 3.29Å; Y794-I798 PolarHBondContact O-N 2.77Å |
| 795 | Y | 89.1 | Confident | 88.1 | Confident | 11 Ų | 11 | 56.8 Ų | 56.8 | 4% | 0.043 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -53.6 | -51.3 | 174.9 | 159.7 | -125.5 | 0 | 0 | 0 | 112.2 | F791 F792 S797 I798 I799 M822 A846 D849 | F791-Y795 HydrophobicContact CE1-CD1 4.47Å; F791-Y795 HydrophobicContact CE1-CG 4.3Å; F791-Y795 VanDerWaalsContact O-CB 3.28Å; F791-Y795 WeakPolarHBondContact O-CB 2.84Å; F791-Y795 PolarHBondContact O-N 3.15Å; F792-Y795 HydrophobicContact CD2-CD1 4.14Å; F792-Y795 HydrophobicContact CE2-CD1 4.5Å; F792-Y795 HydrophobicContact CE2-CE1 4.48Å; F792-Y795 PolarHBondContact O-N 3.3Å; Y795-S797 PolarHBondContact O-N 2.62Å; Y795-I798 PolarHBondContact O-N 2.86Å; Y795-I799 HydrophobicContact CD2-CD1 3.9Å; Y795-I799 HydrophobicContact CD2-CG1 4.23Å; Y795-I799 HydrophobicContact CE1-CD1 4.41Å; Y795-I799 HydrophobicContact CE2-CD1 3.15Å; Y795-I799 HydrophobicContact CE2-CG1 3.91Å; Y795-I799 VanDerWaalsContact CZ-CD1 3.45Å; Y795-I799 PolarHBondContact O-N 3.26Å; Y795-I799 VanDerWaalsContact O-N 3.1Å; Y795-I799 WeakPolarHBondContact OH-CD1 3.43Å; Y795-M822 HydrophobicContact CD2-CE 3.38Å; Y795-M822 HydrophobicContact CD2-SD 3.89Å; Y795-M822 HydrophobicContact CE2-CE 3.53Å; Y795-A846 HydrophobicContact CD2-CB 3.99Å; Y795-A846 HydrophobicContact CE2-CB 3.88Å; Y795-D849 HydrophobicContact CE2-CB 4.4Å; Y795-D849 PolarHBondContact OH-OD2 3.08Å |
| 796 | Q | 84.9 | Confident | 88.5 | Confident | 60 Ų | 60 | 55.8 Ų | 55.8 | 28% | 0.28 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.2 | -40.4 | 176.4 | -76.8 | -172.9 | -34.2 | 0 | 0 | 112.7 | F792 Y794 I798 I799 K800 Y905 | F792-Q796 HydrophobicContact CD1-CG 4.3Å; F792-Q796 HydrophobicContact CE1-CG 4.07Å; F792-Q796 HydrophobicContact CE2-CG 4.45Å; F792-Q796 HydrophobicContact CZ-CG 4.16Å; F792-Q796 WeakPolarHBondContact O-CB 3.3Å; F792-Q796 WeakPolarHBondContact O-CG 3.04Å; F792-Q796 PolarHBondContact O-N 2.95Å; Y794-Q796 PolarHBondContact O-N 2.86Å; Q796-I798 VanDerWaalsContact C-N 3.29Å; Q796-I798 PolarHBondContact O-N 3.04Å; Q796-I799 PolarHBondContact O-N 3.35Å; Q796-K800 WeakPolarHBondContact O-CB 3.19Å; Q796-K800 PolarHBondContact O-N 2.83Å; Q796-Y905 PolarHBondContact NE2-O 3.47Å |
| 797 | S | 91 | Very high | 88.6 | Confident | 46 Ų | 46 | 51.9 Ų | 51.9 | 32% | 0.322 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63.6 | -36.2 | 177.5 | -177.9 | 0 | 0 | 0 | 0 | 112.3 | K793 Y794 Y795 R801 | K793-S797 WeakPolarHBondContact O-CB 3.33Å; K793-S797 PolarHBondContact O-N 3.45Å; Y794-S797 PolarHBondContact O-N 2.93Å; Y795-S797 PolarHBondContact O-N 2.62Å; S797-R801 VanDerWaalsContact O-CG 3.3Å; S797-R801 WeakPolarHBondContact O-CG 3.32Å; S797-R801 PolarHBondContact O-N 3.45Å |
| 798 | I | 93.7 | Very high | 88.8 | Confident | 2 Ų | 2 | 51.7 Ų | 51.7 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.6 | -50.6 | 177.5 | -71.8 | 165.5 | 0 | 0 | 0 | 109.7 | Y794 Y795 Q796 K800 R801 V802 R818 E821 M822 L825 | Y794-I798 WeakPolarHBondContact O-CG1 3.29Å; Y794-I798 PolarHBondContact O-N 2.77Å; Y795-I798 PolarHBondContact O-N 2.86Å; Q796-I798 VanDerWaalsContact C-N 3.29Å; Q796-I798 PolarHBondContact O-N 3.04Å; I798-K800 PolarHBondContact O-N 3.06Å; I798-R801 PolarHBondContact O-N 2.93Å; I798-V802 HydrophobicContact CG2-CG2 4.46Å; I798-V802 WeakPolarHBondContact O-CG2 3.41Å; I798-V802 PolarHBondContact O-N 3.17Å; I798-R818 HydrophobicContact CG2-CB 4.21Å; I798-E821 HydrophobicContact CD1-CB 4.46Å; I798-E821 HydrophobicContact CD1-CG 4.02Å; I798-E821 HydrophobicContact CG1-CG 4.46Å; I798-M822 HydrophobicContact CB-SD 4.43Å; I798-M822 HydrophobicContact CD1-CB 4.4Å; I798-M822 HydrophobicContact CD1-SD 4.21Å; I798-M822 HydrophobicContact CG2-CB 4.09Å; I798-M822 HydrophobicContact CG2-SD 4.05Å; I798-L825 HydrophobicContact CD1-CD2 4.17Å |
| 799 | I | 88.2 | Confident | 89 | Confident | 14 Ų | 14 | 52.5 Ų | 52.5 | 7% | 0.072 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -52.6 | -52.3 | 176.8 | -81.1 | -172.3 | 0 | 0 | 0 | 111.5 | Y795 Q796 R801 V802 N803 D849 M853 W910 | Y795-I799 HydrophobicContact CD2-CD1 3.9Å; Y795-I799 HydrophobicContact CD2-CG1 4.23Å; Y795-I799 HydrophobicContact CE1-CD1 4.41Å; Y795-I799 HydrophobicContact CE2-CD1 3.15Å; Y795-I799 HydrophobicContact CE2-CG1 3.91Å; Y795-I799 VanDerWaalsContact CZ-CD1 3.45Å; Y795-I799 PolarHBondContact O-N 3.26Å; Y795-I799 VanDerWaalsContact O-N 3.1Å; Y795-I799 WeakPolarHBondContact OH-CD1 3.43Å; Q796-I799 PolarHBondContact O-N 3.35Å; I799-R801 VanDerWaalsContact C-N 3.31Å; I799-R801 PolarHBondContact O-N 2.91Å; I799-V802 PolarHBondContact O-N 3.5Å; I799-N803 PolarHBondContact O-N 2.86Å; I799-N803 VanDerWaalsContact O-N 3.11Å; I799-D849 HydrophobicContact CD1-CB 4.25Å; I799-M853 HydrophobicContact CG1-CE 4.2Å; I799-M853 HydrophobicContact CG1-SD 4.46Å; I799-W910 HydrophobicContact CG2-CG 4.2Å |
| 800 | K | 88.2 | Confident | 89.5 | Confident | 107 Ų | 107 | 49 Ų | 49 | 47% | 0.465 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -55.9 | -47.8 | -178.8 | -177.2 | -178.5 | 178.8 | -172.7 | 0 | 111.2 | Q796 I798 N803 E804 | Q796-K800 WeakPolarHBondContact O-CB 3.19Å; Q796-K800 PolarHBondContact O-N 2.83Å; I798-K800 PolarHBondContact O-N 3.06Å; K800-N803 PolarHBondContact O-N 3.13Å; K800-E804 WeakPolarHBondContact CE-OE1 3.25Å; K800-E804 IonicContact NZ-OE1 3.69Å; K800-E804 WeakPolarHBondContact O-CG 3.39Å; K800-E804 PolarHBondContact O-N 2.84Å |
| 801 | R | 93.7 | Very high | 89.9 | Confident | 103 Ų | 103 | 46.6 Ų | 46.6 | 39% | 0.389 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -65.4 | -39.5 | -180 | -73.5 | 175 | 176.5 | 169.6 | -1.9 | 112.5 | S797 I798 I799 N803 E804 Y805 R818 | S797-R801 VanDerWaalsContact O-CG 3.3Å; S797-R801 WeakPolarHBondContact O-CG 3.32Å; S797-R801 PolarHBondContact O-N 3.45Å; I798-R801 PolarHBondContact O-N 2.93Å; I799-R801 VanDerWaalsContact C-N 3.31Å; I799-R801 PolarHBondContact O-N 2.91Å; R801-N803 VanDerWaalsContact C-N 3.28Å; R801-N803 PolarHBondContact O-N 2.74Å; R801-E804 PolarHBondContact O-N 2.98Å; R801-Y805 HydrophobicContact CB-CD2 4.43Å; R801-Y805 HydrophobicContact CB-CE2 4Å; R801-Y805 WeakPolarHBondContact O-CD2 3.37Å; R801-Y805 VanDerWaalsContact O-CG 3.29Å; R801-Y805 PolarHBondContact O-N 2.98Å; R801-R818 HydrophobicContact CB-CG 4.27Å |
| 802 | V | 93.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.9 | -43 | 176.7 | 170 | 0 | 0 | 0 | 0 | 110.6 | I798 I799 Y805 Y806 V815 R818 L819 M853 | I798-V802 HydrophobicContact CG2-CG2 4.46Å; I798-V802 WeakPolarHBondContact O-CG2 3.41Å; I798-V802 PolarHBondContact O-N 3.17Å; I799-V802 PolarHBondContact O-N 3.5Å; V802-Y805 PolarHBondContact O-N 2.95Å; V802-Y806 HydrophobicContact CG1-CD2 3.61Å; V802-Y806 HydrophobicContact CG1-CE2 3.65Å; V802-Y806 WeakPolarHBondContact O-CD2 3.21Å; V802-Y806 PolarHBondContact O-N 2.87Å; V802-V815 HydrophobicContact CG1-CG1 3.91Å; V802-V815 HydrophobicContact CG1-CG2 4.47Å; V802-R818 HydrophobicContact CG2-CB 3.49Å; V802-R818 VanDerWaalsContact CG2-CB 3.49Å; V802-R818 HydrophobicContact CG2-CG 4.19Å; V802-L819 HydrophobicContact CG2-CD2 4.28Å; V802-M853 HydrophobicContact CB-CG 4.43Å; V802-M853 HydrophobicContact CB-SD 3.54Å; V802-M853 VanDerWaalsContact CB-SD 3.54Å; V802-M853 HydrophobicContact CG1-CB 4.21Å; V802-M853 HydrophobicContact CG1-CG 3.6Å; V802-M853 HydrophobicContact CG1-SD 3.39Å; V802-M853 WeakPolarHBondContact CG1-SD 3.35Å; V802-M853 HydrophobicContact CG2-SD 3.76Å |
| 803 | N | 88.7 | Confident | 90.8 | Very high | 13 Ų | 13 | 47.3 Ų | 47.3 | 7% | 0.07 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.1 | -46.4 | 176.8 | -72.1 | -2.3 | 0 | 0 | 0 | 112.5 | I799 K800 R801 Y805 Y806 D807 H909 W910 P911 | I799-N803 PolarHBondContact O-N 2.86Å; I799-N803 VanDerWaalsContact O-N 3.11Å; K800-N803 PolarHBondContact O-N 3.13Å; R801-N803 VanDerWaalsContact C-N 3.28Å; R801-N803 PolarHBondContact O-N 2.74Å; N803-Y805 PolarHBondContact O-N 2.88Å; N803-Y806 PolarHBondContact O-N 2.99Å; N803-Y806 VanDerWaalsContact O-N 3.08Å; N803-D807 PolarHBondContact O-N 2.9Å; N803-H909 PolarHBondContact ND2-O 3.1Å; N803-W910 PolarHBondContact OD1-NE1 3.26Å; N803-W910 VanDerWaalsContact OD1-NE1 3.17Å; N803-P911 VanDerWaalsContact ND2-CD 3.25Å; N803-P911 WeakPolarHBondContact ND2-CD 3.39Å |
| 804 | E | 91.5 | Very high | 91.3 | Very high | 69 Ų | 69 | 42 Ų | 42 | 32% | 0.322 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -56.1 | -35.4 | 174 | -69.8 | 169.3 | 172.4 | 0 | 0 | 111.6 | K800 R801 D808 T809 | K800-E804 WeakPolarHBondContact CE-OE1 3.25Å; K800-E804 IonicContact NZ-OE1 3.69Å; K800-E804 WeakPolarHBondContact O-CG 3.39Å; K800-E804 PolarHBondContact O-N 2.84Å; R801-E804 PolarHBondContact O-N 2.98Å; E804-D808 WeakPolarHBondContact O-CA 3.33Å; E804-D808 WeakPolarHBondContact O-CB 3.47Å; E804-D808 PolarHBondContact O-N 3.19Å; E804-T809 PolarHBondContact O-N 3.13Å; E804-T809 VanDerWaalsContact O-N 3.11Å; E804-T809 PolarHBondContact O-OG1 3.29Å |
| 805 | Y | 94.7 | Very high | 91.6 | Very high | 55 Ų | 55 | 35.8 Ų | 35.8 | 22% | 0.216 | 18% | 0.18 | C | C | . | . | I | π-helix | trans | -74.5 | -34 | 176.4 | -65.9 | -47.7 | 0 | 0 | 0 | 113.9 | R801 V802 N803 T809 F810 V811 R818 | R801-Y805 HydrophobicContact CB-CD2 4.43Å; R801-Y805 HydrophobicContact CB-CE2 4Å; R801-Y805 WeakPolarHBondContact O-CD2 3.37Å; R801-Y805 VanDerWaalsContact O-CG 3.29Å; R801-Y805 PolarHBondContact O-N 2.98Å; V802-Y805 PolarHBondContact O-N 2.95Å; N803-Y805 PolarHBondContact O-N 2.88Å; Y805-T809 WeakPolarHBondContact CA-OG1 3.12Å; Y805-T809 WeakPolarHBondContact CD1-OG1 3.43Å; Y805-F810 CarbonylContact O-C 3.57Å; Y805-F810 WeakPolarHBondContact O-CA 3.36Å; Y805-F810 PolarHBondContact O-N 2.87Å; Y805-V811 HydrophobicContact CD1-CB 4.11Å; Y805-V811 PolarHBondContact O-N 2.84Å; Y805-R818 HydrophobicContact CD2-CG 4.24Å; Y805-R818 HydrophobicContact CE2-CG 3.91Å |
| 806 | Y | 92.2 | Very high | 92 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 0% | 0.004 | 18% | 0.178 | C | C | . | . | I | π-helix | trans | -79 | -40.1 | 175.7 | -84.1 | -58.2 | 0 | 0 | 0 | 113.4 | V82 Y86 V802 N803 F810 I812 V815 M853 P856 I857 | V82-Y806 HydrophobicContact CG1-CD1 4.42Å; V82-Y806 HydrophobicContact CG1-CE1 3.64Å; Y86-Y806 HydrophobicContact CD1-CG 4.37Å; Y86-Y806 HydrophobicContact CD2-CD1 4.04Å; Y86-Y806 AromaticContact CD2-CD2 3.72Å; Y86-Y806 HydrophobicContact CD2-CD2 3.72Å; Y86-Y806 HydrophobicContact CD2-CE2 4.25Å; Y86-Y806 AromaticContact CD2-CG 3.58Å; Y86-Y806 HydrophobicContact CD2-CG 3.58Å; Y86-Y806 AromaticContact CE2-CD2 3.81Å; Y86-Y806 HydrophobicContact CE2-CD2 3.81Å; Y86-Y806 AromaticContact CE2-CG 3.8Å; Y86-Y806 HydrophobicContact CE2-CG 3.8Å; Y86-Y806 AromaticContact CG-CD1 3.97Å; Y86-Y806 HydrophobicContact CG-CD1 3.97Å; Y86-Y806 HydrophobicContact CG-CD2 4.45Å; Y86-Y806 AromaticContact CG-CG 3.88Å; Y86-Y806 HydrophobicContact CG-CG 3.88Å; Y86-Y806 VanDerWaalsContact CZ-CB 3.49Å; V802-Y806 HydrophobicContact CG1-CD2 3.61Å; V802-Y806 HydrophobicContact CG1-CE2 3.65Å; V802-Y806 WeakPolarHBondContact O-CD2 3.21Å; V802-Y806 PolarHBondContact O-N 2.87Å; N803-Y806 PolarHBondContact O-N 2.99Å; N803-Y806 VanDerWaalsContact O-N 3.08Å; Y806-F810 WeakPolarHBondContact O-CD1 3.43Å; Y806-F810 WeakPolarHBondContact O-CE1 3.48Å; Y806-I812 HydrophobicContact CD1-CD1 3.84Å; Y806-I812 HydrophobicContact CE1-CD1 3.9Å; Y806-V815 HydrophobicContact CD1-CG2 4.22Å; Y806-V815 HydrophobicContact CD2-CG1 4.29Å; Y806-V815 HydrophobicContact CD2-CG2 4Å; Y806-V815 HydrophobicContact CE1-CG1 4.41Å; Y806-V815 HydrophobicContact CE1-CG2 4.23Å; Y806-V815 HydrophobicContact CE2-CB 4.44Å; Y806-V815 HydrophobicContact CE2-CG1 3.55Å; Y806-V815 HydrophobicContact CE2-CG2 4.04Å; Y806-V815 HydrophobicContact CG-CG2 4.1Å; Y806-M853 PolarHBondContact OH-O 3.36Å; Y806-P856 HydrophobicContact CE1-CB 4.29Å; Y806-I857 VanDerWaalsContact OH-CD1 3.22Å; Y806-I857 WeakPolarHBondContact OH-CD1 3.33Å; Y806-I857 WeakPolarHBondContact OH-CG1 3.44Å |
| 807 | D | 87.1 | Confident | 92.6 | Very high | 36 Ų | 36 | 34 Ų | 34 | 19% | 0.193 | 18% | 0.177 | C | C | . | . | I | π-helix | trans | -90 | -46.8 | -176.1 | -91.8 | -42.9 | 0 | 0 | 0 | 113.2 | Y86 K87 R645 N803 F810 | Y86-D807 HydrophobicContact CE1-CB 4.48Å; Y86-D807 VanDerWaalsContact CE1-OD1 3.3Å; Y86-D807 WeakPolarHBondContact CE1-OD1 3.03Å; Y86-D807 VanDerWaalsContact OH-CG 3.27Å; Y86-D807 PolarHBondContact OH-OD2 2.85Å; K87-D807 IonicContact NZ-OD1 3.92Å; K87-D807 PolarHBondContact NZ-OD1 3.29Å; R645-D807 PolarHBondContact NH1-O 2.79Å; R645-D807 PolarHBondContact NH2-O 2.59Å; N803-D807 PolarHBondContact O-N 2.9Å; D807-F810 WeakPolarHBondContact O-CE1 3.44Å |
| 808 | D | 87.7 | Confident | 92.9 | Very high | 97 Ų | 97 | 34.2 Ų | 34.2 | 52% | 0.519 | 17% | 0.171 | S | C | . | . | I | π-helix | trans | -101.3 | -30 | -163.4 | -58.3 | -33 | 0 | 0 | 0 | 113.7 | Q236 R645 E804 | Q236-D808 PolarHBondContact NE2-O 2.68Å; R645-D808 PolarHBondContact NH2-O 3.16Å; E804-D808 WeakPolarHBondContact O-CA 3.33Å; E804-D808 WeakPolarHBondContact O-CB 3.47Å; E804-D808 PolarHBondContact O-N 3.19Å |
| 809 | T | 89.3 | Confident | 93.1 | Very high | 54 Ų | 54 | 34.1 Ų | 34.1 | 33% | 0.331 | 17% | 0.171 | S | C | . | . | I | π-helix | trans | -123.1 | -16.7 | -173.5 | 61.2 | 0 | 0 | 0 | 0 | 114.7 | Q236 E804 Y805 V811 | Q236-T809 PolarHBondContact NE2-O 3Å; E804-T809 PolarHBondContact O-N 3.13Å; E804-T809 VanDerWaalsContact O-N 3.11Å; E804-T809 PolarHBondContact O-OG1 3.29Å; Y805-T809 WeakPolarHBondContact CA-OG1 3.12Å; Y805-T809 WeakPolarHBondContact CD1-OG1 3.43Å; T809-V811 PolarHBondContact O-N 3.07Å |
| 810 | F | 93 | Very high | 93.5 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 0% | 0.004 | 18% | 0.18 | C | C | . | . | trans | 57.5 | 26.2 | -178.1 | -46.7 | -45.9 | 0 | 0 | 0 | 114.5 | L83 Q236 I609 R645 L647 Y805 Y806 D807 I812 | L83-F810 HydrophobicContact CD1-CB 4.27Å; L83-F810 HydrophobicContact CD1-CD1 4.09Å; L83-F810 HydrophobicContact CD1-CG 4.14Å; L83-F810 HydrophobicContact CD2-CB 4.37Å; L83-F810 HydrophobicContact CD2-CD1 3.65Å; L83-F810 HydrophobicContact CD2-CE1 4.31Å; L83-F810 HydrophobicContact CD2-CG 4.32Å; Q236-F810 VanDerWaalsContact OE1-CD2 3.27Å; I609-F810 HydrophobicContact CB-CZ 4.49Å; I609-F810 HydrophobicContact CD1-CD1 4.39Å; I609-F810 HydrophobicContact CD1-CE1 3.5Å; I609-F810 VanDerWaalsContact CD1-CE1 3.5Å; I609-F810 HydrophobicContact CD1-CE2 4.1Å; I609-F810 HydrophobicContact CD1-CZ 3.29Å; I609-F810 HydrophobicContact CG1-CE1 4.3Å; I609-F810 HydrophobicContact CG1-CE2 4.07Å; I609-F810 HydrophobicContact CG1-CZ 3.57Å; I609-F810 HydrophobicContact CG2-CD2 4.3Å; I609-F810 HydrophobicContact CG2-CE2 3.82Å; I609-F810 HydrophobicContact CG2-CZ 4.12Å; R645-F810 HydrophobicContact CB-CE2 4.28Å; R645-F810 VanDerWaalsContact NE-CE2 3.33Å; R645-F810 VanDerWaalsContact NH1-CZ 3.32Å; L647-F810 HydrophobicContact CB-CD2 4.43Å; L647-F810 HydrophobicContact CD1-CB 3.99Å; L647-F810 HydrophobicContact CD1-CD2 4.44Å; L647-F810 HydrophobicContact CD2-CB 3.67Å; L647-F810 HydrophobicContact CD2-CD2 4.32Å; L647-F810 HydrophobicContact CD2-CG 4.29Å; L647-F810 HydrophobicContact CG-CB 4.42Å; Y805-F810 CarbonylContact O-C 3.57Å; Y805-F810 WeakPolarHBondContact O-CA 3.36Å; Y805-F810 PolarHBondContact O-N 2.87Å; Y806-F810 WeakPolarHBondContact O-CD1 3.43Å; Y806-F810 WeakPolarHBondContact O-CE1 3.48Å; D807-F810 WeakPolarHBondContact O-CE1 3.44Å; F810-I812 PolarHBondContact O-N 3.12Å; F810-I812 VanDerWaalsContact O-N 3.09Å | ||
| 811 | V | 93.4 | Very high | 94 | Very high | 33 Ų | 33 | 34.7 Ų | 34.7 | 20% | 0.2 | 18% | 0.175 | C | C | . | . | trans | -88.2 | 77 | -177.8 | -169.8 | 0 | 0 | 0 | 0 | 109.9 | Y805 T809 S813 S814 V815 | Y805-V811 HydrophobicContact CD1-CB 4.11Å; Y805-V811 PolarHBondContact O-N 2.84Å; T809-V811 PolarHBondContact O-N 3.07Å; V811-S813 WeakPolarHBondContact CG1-OG 3.47Å; V811-S813 PolarHBondContact O-N 3.22Å; V811-S814 VanDerWaalsContact CG1-OG 3.23Å; V811-S814 WeakPolarHBondContact CG1-OG 3.16Å; V811-S814 WeakPolarHBondContact O-CA 3.34Å; V811-S814 WeakPolarHBondContact O-CB 3.4Å; V811-S814 PolarHBondContact O-N 2.83Å; V811-V815 PolarHBondContact O-N 3.15Å | ||
| 812 | I | 95.3 | Very high | 94.1 | Very high | 6 Ų | 6 | 29.9 Ų | 29.9 | 3% | 0.031 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.1 | -31.2 | -175.4 | -49.5 | -54.1 | 0 | 0 | 0 | 112.8 | V82 L83 L726 Y806 F810 S814 V815 I816 I857 | V82-I812 HydrophobicContact CG1-CD1 3.79Å; V82-I812 HydrophobicContact CG1-CG1 4.23Å; V82-I812 HydrophobicContact CG1-CG2 4.21Å; L83-I812 HydrophobicContact CD2-CD1 4.01Å; L726-I812 HydrophobicContact CB-CG2 4.25Å; L726-I812 HydrophobicContact CD1-CG2 3.92Å; L726-I812 HydrophobicContact CG-CG2 4.48Å; Y806-I812 HydrophobicContact CD1-CD1 3.84Å; Y806-I812 HydrophobicContact CE1-CD1 3.9Å; F810-I812 PolarHBondContact O-N 3.12Å; F810-I812 VanDerWaalsContact O-N 3.09Å; I812-S814 PolarHBondContact O-N 3.49Å; I812-V815 WeakPolarHBondContact O-CB 3.48Å; I812-V815 PolarHBondContact O-N 3.48Å; I812-V815 VanDerWaalsContact O-N 3.14Å; I812-I816 PolarHBondContact O-N 3.43Å; I812-I857 HydrophobicContact CG2-CD1 3.85Å; I812-I857 HydrophobicContact CG2-CG1 3.98Å |
| 813 | S | 95.8 | Very high | 94.3 | Very high | 15 Ų | 15 | 29.9 Ų | 29.9 | 11% | 0.105 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.1 | -35.2 | 173.1 | 61.5 | 0 | 0 | 0 | 0 | 112.5 | L726 V729 V811 A817 | L726-S813 VanDerWaalsContact O-CA 3.29Å; L726-S813 WeakPolarHBondContact O-CA 3.35Å; L726-S813 VanDerWaalsContact O-CB 3.26Å; L726-S813 WeakPolarHBondContact O-CB 3.32Å; V729-S813 WeakPolarHBondContact O-CB 3.29Å; V811-S813 WeakPolarHBondContact CG1-OG 3.47Å; V811-S813 PolarHBondContact O-N 3.22Å; S813-A817 PolarHBondContact O-N 2.72Å |
| 814 | S | 96.3 | Very high | 94.6 | Very high | 29 Ų | 29 | 31.9 Ų | 31.9 | 20% | 0.203 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -76.8 | -32.6 | 177.4 | -62.8 | 0 | 0 | 0 | 0 | 111.7 | V811 I812 A817 R818 | V811-S814 VanDerWaalsContact CG1-OG 3.23Å; V811-S814 WeakPolarHBondContact CG1-OG 3.16Å; V811-S814 WeakPolarHBondContact O-CA 3.34Å; V811-S814 WeakPolarHBondContact O-CB 3.4Å; V811-S814 PolarHBondContact O-N 2.83Å; I812-S814 PolarHBondContact O-N 3.49Å; S814-A817 PolarHBondContact O-N 2.76Å; S814-R818 VanDerWaalsContact O-CG 3.29Å; S814-R818 WeakPolarHBondContact O-CG 3.35Å; S814-R818 PolarHBondContact O-N 3.16Å |
| 815 | V | 96.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -55.6 | -54.6 | 167.9 | 174.6 | 0 | 0 | 0 | 0 | 109.7 | V802 Y806 V811 I812 A817 R818 L819 I857 | V802-V815 HydrophobicContact CG1-CG1 3.91Å; V802-V815 HydrophobicContact CG1-CG2 4.47Å; Y806-V815 HydrophobicContact CD1-CG2 4.22Å; Y806-V815 HydrophobicContact CD2-CG1 4.29Å; Y806-V815 HydrophobicContact CD2-CG2 4Å; Y806-V815 HydrophobicContact CE1-CG1 4.41Å; Y806-V815 HydrophobicContact CE1-CG2 4.23Å; Y806-V815 HydrophobicContact CE2-CB 4.44Å; Y806-V815 HydrophobicContact CE2-CG1 3.55Å; Y806-V815 HydrophobicContact CE2-CG2 4.04Å; Y806-V815 HydrophobicContact CG-CG2 4.1Å; V811-V815 PolarHBondContact O-N 3.15Å; I812-V815 WeakPolarHBondContact O-CB 3.48Å; I812-V815 PolarHBondContact O-N 3.48Å; I812-V815 VanDerWaalsContact O-N 3.14Å; V815-A817 VanDerWaalsContact C-N 3.28Å; V815-A817 PolarHBondContact O-N 2.78Å; V815-R818 WeakPolarHBondContact O-CA 3.42Å; V815-R818 WeakPolarHBondContact O-CB 3.15Å; V815-R818 PolarHBondContact O-N 3.38Å; V815-L819 HydrophobicContact CG1-CD1 3.93Å; V815-L819 HydrophobicContact CG1-CG 4.17Å; V815-L819 WeakPolarHBondContact O-CG 3.25Å; V815-L819 PolarHBondContact O-N 2.77Å; V815-I857 HydrophobicContact CB-CD1 4.39Å; V815-I857 HydrophobicContact CG1-CD1 3.8Å |
| 816 | I | 97.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -56.3 | -44 | -178.4 | -65 | 166.8 | 0 | 0 | 0 | 111.1 | I723 L726 W749 I812 R818 L819 Q820 I857 | I723-I816 HydrophobicContact CG2-CD1 4.33Å; I723-I816 HydrophobicContact CG2-CG2 4.43Å; L726-I816 HydrophobicContact CB-CD1 3.71Å; W749-I816 HydrophobicContact CH2-CG2 4.19Å; W749-I816 HydrophobicContact CZ3-CG2 3.9Å; I812-I816 PolarHBondContact O-N 3.43Å; I816-R818 VanDerWaalsContact C-N 3.32Å; I816-R818 PolarHBondContact O-N 2.81Å; I816-L819 PolarHBondContact O-N 3.37Å; I816-Q820 WeakPolarHBondContact O-CG 3.46Å; I816-Q820 PolarHBondContact O-N 2.74Å; I816-I857 HydrophobicContact CD1-CD1 4.49Å; I816-I857 HydrophobicContact CD1-CG2 4.46Å; I816-I857 HydrophobicContact CG1-CD1 3.81Å |
| 817 | A | 97.4 | Very high | 94.9 | Very high | 33 Ų | 33 | 31.8 Ų | 31.8 | 27% | 0.273 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -60.9 | -38.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | S813 S814 V815 Q820 E821 | S813-A817 PolarHBondContact O-N 2.72Å; S814-A817 PolarHBondContact O-N 2.76Å; V815-A817 VanDerWaalsContact C-N 3.28Å; V815-A817 PolarHBondContact O-N 2.78Å; A817-Q820 PolarHBondContact O-N 2.89Å; A817-E821 PolarHBondContact O-N 2.96Å |
| 818 | R | 97.4 | Very high | 95.1 | Very high | 50 Ų | 50 | 37.1 Ų | 37.1 | 19% | 0.189 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -69.9 | -35.1 | 175.3 | -67.3 | -63.7 | 80.6 | 72 | -2.1 | 112.3 | I798 R801 V802 Y805 S814 V815 I816 E821 M822 | I798-R818 HydrophobicContact CG2-CB 4.21Å; R801-R818 HydrophobicContact CB-CG 4.27Å; V802-R818 HydrophobicContact CG2-CB 3.49Å; V802-R818 VanDerWaalsContact CG2-CB 3.49Å; V802-R818 HydrophobicContact CG2-CG 4.19Å; Y805-R818 HydrophobicContact CD2-CG 4.24Å; Y805-R818 HydrophobicContact CE2-CG 3.91Å; S814-R818 VanDerWaalsContact O-CG 3.29Å; S814-R818 WeakPolarHBondContact O-CG 3.35Å; S814-R818 PolarHBondContact O-N 3.16Å; V815-R818 WeakPolarHBondContact O-CA 3.42Å; V815-R818 WeakPolarHBondContact O-CB 3.15Å; V815-R818 PolarHBondContact O-N 3.38Å; I816-R818 VanDerWaalsContact C-N 3.32Å; I816-R818 PolarHBondContact O-N 2.81Å; R818-E821 IonicContact CZ-OE2 3.9Å; R818-E821 VanDerWaalsContact CZ-OE2 3.27Å; R818-E821 IonicContact NE-OE2 2.65Å; R818-E821 PolarHBondContact NE-OE2 3.49Å; R818-E821 IonicContact NH2-OE2 2.93Å; R818-E821 PolarHBondContact NH2-OE2 3.48Å; R818-E821 WeakPolarHBondContact O-CB 3.18Å; R818-E821 PolarHBondContact O-N 2.7Å; R818-M822 WeakPolarHBondContact O-CB 3.16Å; R818-M822 PolarHBondContact O-N 2.88Å |
| 819 | L | 97.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -68.7 | -36.4 | 174.2 | -59 | 178.6 | 0 | 0 | 0 | 112.1 | W749 V802 V815 I816 M822 T823 L850 M853 L854 I857 | W749-L819 HydrophobicContact CH2-CB 4.01Å; W749-L819 HydrophobicContact CH2-CD1 4.47Å; W749-L819 HydrophobicContact CZ2-CB 3.68Å; V802-L819 HydrophobicContact CG2-CD2 4.28Å; V815-L819 HydrophobicContact CG1-CD1 3.93Å; V815-L819 HydrophobicContact CG1-CG 4.17Å; V815-L819 WeakPolarHBondContact O-CG 3.25Å; V815-L819 PolarHBondContact O-N 2.77Å; I816-L819 PolarHBondContact O-N 3.37Å; L819-M822 WeakPolarHBondContact O-CB 3.28Å; L819-M822 PolarHBondContact O-N 3.5Å; L819-T823 WeakPolarHBondContact O-CB 3.28Å; L819-T823 PolarHBondContact O-N 2.78Å; L819-T823 PolarHBondContact O-OG1 2.93Å; L819-L850 HydrophobicContact CB-CD1 3.87Å; L819-L850 HydrophobicContact CD2-CD1 3.88Å; L819-L850 HydrophobicContact CG-CD1 4.4Å; L819-M853 HydrophobicContact CD1-CB 4.48Å; L819-M853 HydrophobicContact CD2-CB 3.42Å; L819-M853 VanDerWaalsContact CD2-CB 3.42Å; L819-M853 HydrophobicContact CD2-CE 3.91Å; L819-M853 HydrophobicContact CD2-CG 4.27Å; L819-M853 HydrophobicContact CD2-SD 4.12Å; L819-L854 HydrophobicContact CD1-CB 4.26Å; L819-L854 HydrophobicContact CD1-CD1 4.17Å; L819-I857 HydrophobicContact CD1-CD1 4.4Å |
| 820 | Q | 97.6 | Very high | 95.2 | Very high | 59 Ų | 59 | 30.2 Ų | 30.2 | 28% | 0.276 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -63 | -42.6 | 170.3 | -71.6 | 172.3 | -10.7 | 0 | 0 | 111.6 | W749 I816 A817 T823 E824 | W749-Q820 HydrophobicContact CD2-CG 3.59Å; W749-Q820 VanDerWaalsContact CE2-CG 3.49Å; W749-Q820 HydrophobicContact CE3-CG 4.16Å; W749-Q820 HydrophobicContact CG-CG 3.83Å; W749-Q820 HydrophobicContact CH2-CG 4.48Å; W749-Q820 HydrophobicContact CZ2-CG 3.97Å; I816-Q820 WeakPolarHBondContact O-CG 3.46Å; I816-Q820 PolarHBondContact O-N 2.74Å; A817-Q820 PolarHBondContact O-N 2.89Å; Q820-T823 WeakPolarHBondContact O-CB 3.12Å; Q820-T823 PolarHBondContact O-N 3.1Å; Q820-E824 PolarHBondContact O-N 2.73Å |
| 821 | E | 97.2 | Very high | 94.7 | Very high | 75 Ų | 75 | 33.8 Ų | 33.8 | 35% | 0.35 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -61.2 | -44.8 | 175.4 | -171.7 | 178.1 | 165.7 | 0 | 0 | 111.9 | I798 A817 R818 T823 E824 L825 | I798-E821 HydrophobicContact CD1-CB 4.46Å; I798-E821 HydrophobicContact CD1-CG 4.02Å; I798-E821 HydrophobicContact CG1-CG 4.46Å; A817-E821 PolarHBondContact O-N 2.96Å; R818-E821 IonicContact CZ-OE2 3.9Å; R818-E821 VanDerWaalsContact CZ-OE2 3.27Å; R818-E821 IonicContact NE-OE2 2.65Å; R818-E821 PolarHBondContact NE-OE2 3.49Å; R818-E821 IonicContact NH2-OE2 2.93Å; R818-E821 PolarHBondContact NH2-OE2 3.48Å; R818-E821 WeakPolarHBondContact O-CB 3.18Å; R818-E821 PolarHBondContact O-N 2.7Å; E821-T823 VanDerWaalsContact C-N 3.31Å; E821-T823 PolarHBondContact O-N 2.71Å; E821-E824 PolarHBondContact O-N 3.4Å; E821-L825 PolarHBondContact O-N 2.92Å |
| 822 | M | 95.9 | Very high | 94 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.7 | -41.7 | 173.1 | -168.9 | 75.2 | 166.1 | 0 | 0 | 112.1 | Y795 I798 R818 L819 L825 L826 A846 D849 L850 | Y795-M822 HydrophobicContact CD2-CE 3.38Å; Y795-M822 HydrophobicContact CD2-SD 3.89Å; Y795-M822 HydrophobicContact CE2-CE 3.53Å; I798-M822 HydrophobicContact CB-SD 4.43Å; I798-M822 HydrophobicContact CD1-CB 4.4Å; I798-M822 HydrophobicContact CD1-SD 4.21Å; I798-M822 HydrophobicContact CG2-CB 4.09Å; I798-M822 HydrophobicContact CG2-SD 4.05Å; R818-M822 WeakPolarHBondContact O-CB 3.16Å; R818-M822 PolarHBondContact O-N 2.88Å; L819-M822 WeakPolarHBondContact O-CB 3.28Å; L819-M822 PolarHBondContact O-N 3.5Å; M822-L825 WeakPolarHBondContact O-CB 3.39Å; M822-L825 PolarHBondContact O-N 3.43Å; M822-L826 WeakPolarHBondContact O-CG 3.36Å; M822-L826 PolarHBondContact O-N 2.88Å; M822-A846 HydrophobicContact CE-CB 3.58Å; M822-A846 WeakPolarHBondContact CE-O 3.21Å; M822-D849 HydrophobicContact CE-CB 4.48Å; M822-L850 HydrophobicContact CB-CD1 4.11Å; M822-L850 HydrophobicContact CG-CB 4.08Å; M822-L850 HydrophobicContact CG-CD1 4.11Å; M822-L850 HydrophobicContact CG-CD2 4.43Å; M822-L850 HydrophobicContact CG-CG 4.44Å |
| 823 | T | 97.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.6 | -46 | 177.7 | -55.9 | 0 | 0 | 0 | 0 | 110.8 | W749 K752 M753 L756 L819 Q820 E821 L826 R827 | W749-T823 PolarHBondContact NE1-OG1 3.15Å; K752-T823 HydrophobicContact CB-CG2 4.22Å; M753-T823 HydrophobicContact CG-CG2 3.87Å; L756-T823 HydrophobicContact CD1-CG2 4.01Å; L819-T823 WeakPolarHBondContact O-CB 3.28Å; L819-T823 PolarHBondContact O-N 2.78Å; L819-T823 PolarHBondContact O-OG1 2.93Å; Q820-T823 WeakPolarHBondContact O-CB 3.12Å; Q820-T823 PolarHBondContact O-N 3.1Å; E821-T823 VanDerWaalsContact C-N 3.31Å; E821-T823 PolarHBondContact O-N 2.71Å; T823-L826 PolarHBondContact O-N 3.04Å; T823-R827 WeakPolarHBondContact O-CG 3.49Å; T823-R827 PolarHBondContact O-N 3.45Å |
| 824 | E | 95.8 | Very high | 92.7 | Very high | 56 Ų | 56 | 44 Ų | 44 | 26% | 0.262 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -70 | -32.8 | 178.4 | -66.2 | -58.9 | 154.3 | 0 | 0 | 112.5 | K752 Q820 E821 R827 K828 | K752-E824 WeakPolarHBondContact CD-OE1 3.4Å; K752-E824 WeakPolarHBondContact CE-OE1 3.42Å; K752-E824 IonicContact NZ-OE1 2.81Å; K752-E824 PolarHBondContact NZ-OE1 3.38Å; Q820-E824 PolarHBondContact O-N 2.73Å; E821-E824 PolarHBondContact O-N 3.4Å; E824-R827 PolarHBondContact O-N 3.36Å; E824-R827 IonicContact OE1-NH1 2.75Å; E824-R827 PolarHBondContact OE1-NH1 3.27Å; E824-R827 IonicContact OE2-CZ 2.71Å; E824-R827 IonicContact OE2-NH1 3.14Å; E824-R827 PolarHBondContact OE2-NH1 3.29Å; E824-K828 WeakPolarHBondContact O-CG 3.49Å; E824-K828 PolarHBondContact O-N 2.78Å |
| 825 | L | 94.3 | Very high | 92.2 | Very high | 26 Ų | 26 | 43 Ų | 43 | 14% | 0.136 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.4 | -45.9 | 172.2 | -177.7 | 65 | 0 | 0 | 0 | 111.2 | F791 I798 E821 M822 S829 | F791-L825 HydrophobicContact CD2-CD1 4Å; F791-L825 HydrophobicContact CD2-CD2 4.12Å; F791-L825 HydrophobicContact CD2-CG 3.91Å; F791-L825 HydrophobicContact CE2-CD1 4.25Å; F791-L825 HydrophobicContact CE2-CD2 3.86Å; F791-L825 HydrophobicContact CE2-CG 3.65Å; F791-L825 HydrophobicContact CZ-CD2 4.34Å; I798-L825 HydrophobicContact CD1-CD2 4.17Å; E821-L825 PolarHBondContact O-N 2.92Å; M822-L825 WeakPolarHBondContact O-CB 3.39Å; M822-L825 PolarHBondContact O-N 3.43Å; L825-S829 PolarHBondContact O-N 2.94Å; L825-S829 PolarHBondContact O-OG 3.24Å |
| 826 | L | 95.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66 | -41.9 | 175.4 | -72 | 169.8 | 0 | 0 | 0 | 112 | L756 F791 M822 T823 K828 S829 S830 Y843 A846 L847 L850 | L756-L826 HydrophobicContact CD1-CB 3.95Å; L756-L826 HydrophobicContact CD1-CD1 4.22Å; L756-L826 HydrophobicContact CD2-CB 4.13Å; F791-L826 HydrophobicContact CZ-CD2 4.25Å; M822-L826 WeakPolarHBondContact O-CG 3.36Å; M822-L826 PolarHBondContact O-N 2.88Å; T823-L826 PolarHBondContact O-N 3.04Å; L826-K828 VanDerWaalsContact C-N 3.35Å; L826-K828 PolarHBondContact O-N 2.88Å; L826-S829 CarbonylContact O-C 3.51Å; L826-S829 WeakPolarHBondContact O-CA 3.48Å; L826-S829 WeakPolarHBondContact O-CB 3.2Å; L826-S829 PolarHBondContact O-N 3.02Å; L826-S830 PolarHBondContact O-N 2.92Å; L826-S830 VanDerWaalsContact O-N 3.16Å; L826-Y843 HydrophobicContact CB-CE2 4.13Å; L826-Y843 HydrophobicContact CD2-CD2 3.66Å; L826-Y843 HydrophobicContact CD2-CE2 3.75Å; L826-Y843 HydrophobicContact CD2-CG 4.1Å; L826-Y843 WeakPolarHBondContact O-CE2 3.33Å; L826-A846 HydrophobicContact CD2-CB 3.88Å; L826-L847 HydrophobicContact CD1-CB 4.14Å; L826-L847 HydrophobicContact CD1-CD1 4.03Å; L826-L850 HydrophobicContact CD1-CD2 3.88Å |
| 827 | R | 94.2 | Very high | 91.3 | Very high | 97 Ų | 97 | 43.8 Ų | 43.8 | 37% | 0.366 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -60.3 | -43 | 177.8 | -75.7 | -176.8 | 71.5 | -138.5 | -0.3 | 112.6 | L756 T823 E824 S829 S830 V833 | L756-R827 HydrophobicContact CD1-CG 4.5Å; L756-R827 HydrophobicContact CD2-CG 3.76Å; L756-R827 HydrophobicContact CG-CG 4.32Å; T823-R827 WeakPolarHBondContact O-CG 3.49Å; T823-R827 PolarHBondContact O-N 3.45Å; E824-R827 PolarHBondContact O-N 3.36Å; E824-R827 IonicContact OE1-NH1 2.75Å; E824-R827 PolarHBondContact OE1-NH1 3.27Å; E824-R827 IonicContact OE2-CZ 2.71Å; E824-R827 IonicContact OE2-NH1 3.14Å; E824-R827 PolarHBondContact OE2-NH1 3.29Å; R827-S829 PolarHBondContact O-N 3.26Å; R827-S830 WeakPolarHBondContact O-CB 3.18Å; R827-S830 PolarHBondContact O-N 3.29Å; R827-S830 VanDerWaalsContact O-N 3.14Å; R827-S830 PolarHBondContact O-OG 2.81Å; R827-V833 VanDerWaalsContact O-CG2 3.31Å; R827-V833 WeakPolarHBondContact O-CG2 3.49Å |
| 828 | K | 91.6 | Very high | 90.8 | Very high | 148 Ų | 148 | 42.2 Ų | 42.2 | 64% | 0.643 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -65.4 | -15.5 | 175.8 | -72.4 | 176.5 | -178.7 | 179.8 | 0 | 113.6 | E824 L826 V833 | E824-K828 WeakPolarHBondContact O-CG 3.49Å; E824-K828 PolarHBondContact O-N 2.78Å; L826-K828 VanDerWaalsContact C-N 3.35Å; L826-K828 PolarHBondContact O-N 2.88Å; K828-V833 WeakPolarHBondContact O-CG2 3.46Å |
| 829 | S | 91.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | 0.5 | 179.1 | -51.9 | 0 | 0 | 0 | 0 | 112.8 | I788 L825 L826 R827 G835 G837 | I788-S829 WeakPolarHBondContact CD1-OG 3.36Å; L825-S829 PolarHBondContact O-N 2.94Å; L825-S829 PolarHBondContact O-OG 3.24Å; L826-S829 CarbonylContact O-C 3.51Å; L826-S829 WeakPolarHBondContact O-CA 3.48Å; L826-S829 WeakPolarHBondContact O-CB 3.2Å; L826-S829 PolarHBondContact O-N 3.02Å; R827-S829 PolarHBondContact O-N 3.26Å; S829-G835 CarbonylContact O-C 3.51Å; S829-G835 WeakPolarHBondContact O-CA 3.36Å; S829-G837 VanDerWaalsContact O-CA 3.28Å; S829-G837 WeakPolarHBondContact O-CA 3.41Å; S829-G837 PolarHBondContact O-N 3.32Å |
| 830 | S | 88.2 | Confident | 89.8 | Confident | 5 Ų | 5 | 41.2 Ų | 41.2 | 4% | 0.035 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -79.3 | 158.9 | -174.1 | 71.1 | 0 | 0 | 0 | 0 | 113.2 | L826 R827 H832 V833 G835 | L826-S830 PolarHBondContact O-N 2.92Å; L826-S830 VanDerWaalsContact O-N 3.16Å; R827-S830 WeakPolarHBondContact O-CB 3.18Å; R827-S830 PolarHBondContact O-N 3.29Å; R827-S830 VanDerWaalsContact O-N 3.14Å; R827-S830 PolarHBondContact O-OG 2.81Å; S830-H832 PolarHBondContact O-N 2.63Å; S830-V833 VanDerWaalsContact O-CG2 3.25Å; S830-V833 WeakPolarHBondContact O-CG2 3.34Å; S830-V833 PolarHBondContact O-N 3.3Å; S830-V833 VanDerWaalsContact O-N 3.15Å; S830-G835 WeakPolarHBondContact O-CA 3.42Å; S830-G835 PolarHBondContact O-N 3.23Å |
| 831 | I | 83.1 | Confident | 89.1 | Confident | 76 Ų | 76 | 38.7 Ų | 38.7 | 39% | 0.39 | 21% | 0.205 | S | C | . | . | G | 310 helix | trans | -56.4 | -35.9 | 179.1 | -62.9 | 171.2 | 0 | 0 | 0 | 112 | Y763 V833 G834 G835 P838 | Y763-I831 HydrophobicContact CD2-CD1 3.43Å; Y763-I831 VanDerWaalsContact CD2-CD1 3.43Å; Y763-I831 HydrophobicContact CE2-CD1 3.97Å; Y763-I831 HydrophobicContact CG-CD1 4.19Å; I831-V833 PolarHBondContact O-N 2.87Å; I831-V833 VanDerWaalsContact O-N 3.15Å; I831-G834 PolarHBondContact O-N 2.59Å; I831-G835 VanDerWaalsContact CA-O 3.3Å; I831-G835 WeakPolarHBondContact CA-O 3.49Å; I831-P838 HydrophobicContact CD1-CG 4.38Å |
| 832 | H | 79.2 | Confident | 88.5 | Confident | 118 Ų | 118 | 35.1 Ų | 35.1 | 55% | 0.546 | 19% | 0.188 | S | C | . | . | G | 310 helix | trans | -64.5 | -21.1 | -176.7 | -77.3 | 56.6 | 0 | 0 | 0 | 113.8 | Q759 S830 | Q759-H832 PolarHBondContact NE2-CE1 2.84Å; Q759-H832 PolarHBondContact NE2-ND1 3Å; Q759-H832 VanDerWaalsContact NE2-ND1 3.14Å; S830-H832 PolarHBondContact O-N 2.63Å |
| 833 | V | 80.7 | Confident | 88.2 | Confident | 95 Ų | 95 | 35 Ų | 35 | 58% | 0.576 | 19% | 0.188 | S | C | * | . | G | 310 helix | trans | -110.7 | 17.4 | 177.2 | -61.7 | 0 | 0 | 0 | 0 | 112 | R827 K828 S830 I831 | R827-V833 VanDerWaalsContact O-CG2 3.31Å; R827-V833 WeakPolarHBondContact O-CG2 3.49Å; K828-V833 WeakPolarHBondContact O-CG2 3.46Å; S830-V833 VanDerWaalsContact O-CG2 3.25Å; S830-V833 WeakPolarHBondContact O-CG2 3.34Å; S830-V833 PolarHBondContact O-N 3.3Å; S830-V833 VanDerWaalsContact O-N 3.15Å; I831-V833 PolarHBondContact O-N 2.87Å; I831-V833 VanDerWaalsContact O-N 3.15Å |
| 834 | G | 81.8 | Confident | 87.7 | Confident | 56 Ų | 56 | 35.5 Ų | 35.5 | 58% | 0.577 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 84.1 | 3.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | H787 I831 | H787-G834 PolarHBondContact NE2-O 2.77Å; I831-G834 PolarHBondContact O-N 2.59Å |
| 835 | G | 86.4 | Confident | 87.1 | Confident | 7 Ų | 7 | 35.3 Ų | 35.3 | 7% | 0.072 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -79.8 | 165.4 | 177 | 0 | 0 | 0 | 0 | 0 | 113.3 | S829 S830 I831 G837 | S829-G835 CarbonylContact O-C 3.51Å; S829-G835 WeakPolarHBondContact O-CA 3.36Å; S830-G835 WeakPolarHBondContact O-CA 3.42Å; S830-G835 PolarHBondContact O-N 3.23Å; I831-G835 VanDerWaalsContact CA-O 3.3Å; I831-G835 WeakPolarHBondContact CA-O 3.49Å; G835-G837 VanDerWaalsContact C-N 3.26Å; G835-G837 PolarHBondContact O-N 2.62Å |
| 836 | P | 87.1 | Confident | 86.8 | Confident | 18 Ų | 18 | 34 Ų | 34 | 12% | 0.117 | 18% | 0.181 | C | C | . | . | trans | -68.9 | -23.8 | -178.1 | 24.5 | -30.2 | 0 | 0 | 0 | 113.3 | P783 L784 H787 S839 | P783-P836 HydrophobicContact CB-CB 3.54Å; P783-P836 HydrophobicContact CB-CG 4.17Å; L784-P836 HydrophobicContact CB-CG 3.97Å; L784-P836 HydrophobicContact CD1-CG 3.76Å; H787-P836 HydrophobicContact CB-CG 4.2Å; P836-S839 WeakPolarHBondContact O-CB 3.43Å; P836-S839 PolarHBondContact O-N 2.92Å; P836-S839 VanDerWaalsContact O-N 3.14Å; P836-S839 PolarHBondContact O-OG 3.4Å | ||
| 837 | G | 88.5 | Confident | 86.7 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | 48.2 | -134.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | S829 G835 S839 S840 Y843 | S829-G837 VanDerWaalsContact O-CA 3.28Å; S829-G837 WeakPolarHBondContact O-CA 3.41Å; S829-G837 PolarHBondContact O-N 3.32Å; G835-G837 VanDerWaalsContact C-N 3.26Å; G835-G837 PolarHBondContact O-N 2.62Å; G837-S839 PolarHBondContact O-N 3.01Å; G837-S840 PolarHBondContact O-N 3.1Å; G837-S840 VanDerWaalsContact O-N 3.08Å; G837-Y843 WeakPolarHBondContact O-CB 3.27Å; G837-Y843 VanDerWaalsContact O-CG 3.29Å |
| 838 | P | 87.3 | Confident | 86.4 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -54.2 | -16.4 | 179.3 | -31.3 | 37.6 | 0 | 0 | 0 | 117.3 | L760 Y763 W774 I831 S840 Y843 | L760-P838 HydrophobicContact CB-CG 4.32Å; L760-P838 HydrophobicContact CD1-CB 3.74Å; L760-P838 HydrophobicContact CD1-CG 4.09Å; Y763-P838 HydrophobicContact CD1-CB 3.55Å; Y763-P838 HydrophobicContact CD2-CB 4.49Å; Y763-P838 HydrophobicContact CE1-CB 4.17Å; Y763-P838 HydrophobicContact CG-CB 3.73Å; Y763-P838 HydrophobicContact CG-CG 4.25Å; W774-P838 HydrophobicContact CZ2-CB 4.28Å; W774-P838 VanDerWaalsContact CZ2-O 3.24Å; W774-P838 WeakPolarHBondContact CZ2-O 3.22Å; W774-P838 PolarHBondContact NE1-O 2.97Å; I831-P838 HydrophobicContact CD1-CG 4.38Å; P838-S840 PolarHBondContact O-N 3.34Å; P838-Y843 HydrophobicContact CG-CE1 4.34Å |
| 839 | S | 85.2 | Confident | 86.2 | Confident | 29 Ų | 29 | 22.6 Ų | 22.6 | 20% | 0.203 | 13% | 0.134 | C | C | . | . | G | 310 helix | trans | -69.5 | -15.8 | 175.3 | 68.5 | 0 | 0 | 0 | 0 | 113.5 | Y763 P836 G837 | Y763-S839 WeakPolarHBondContact OH-CB 3.38Å; P836-S839 WeakPolarHBondContact O-CB 3.43Å; P836-S839 PolarHBondContact O-N 2.92Å; P836-S839 VanDerWaalsContact O-N 3.14Å; P836-S839 PolarHBondContact O-OG 3.4Å; G837-S839 PolarHBondContact O-N 3.01Å |
| 840 | S | 87 | Confident | 86.3 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.134 | C | C | . | . | trans | -93.6 | 135.4 | -179.7 | 161.6 | 0 | 0 | 0 | 0 | 112.2 | D782 L784 G837 P838 L842 Y843 L844 | D782-S840 VanDerWaalsContact CG-OG 3.27Å; D782-S840 VanDerWaalsContact OD1-CB 3.27Å; D782-S840 WeakPolarHBondContact OD1-CB 3.26Å; D782-S840 PolarHBondContact OD1-OG 3.02Å; D782-S840 PolarHBondContact OD2-OG 3.47Å; D782-S840 VanDerWaalsContact OD2-OG 3.1Å; L784-S840 WeakPolarHBondContact CB-OG 3.39Å; G837-S840 PolarHBondContact O-N 3.1Å; G837-S840 VanDerWaalsContact O-N 3.08Å; P838-S840 PolarHBondContact O-N 3.34Å; S840-L842 PolarHBondContact OG-N 3.11Å; S840-Y843 PolarHBondContact O-N 2.75Å; S840-Y843 PolarHBondContact OG-N 3.13Å; S840-Y843 VanDerWaalsContact OG-N 3.08Å; S840-L844 WeakPolarHBondContact O-CG 3.21Å; S840-L844 PolarHBondContact O-N 2.87Å | ||
| 841 | F | 84 | Confident | 86.5 | Confident | 5 Ų | 5 | 22.5 Ų | 22.5 | 2% | 0.022 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -62.9 | -46 | 171.4 | 170.4 | -101.1 | 0 | 0 | 0 | 110.9 | L776 K777 C778 D782 Y843 L844 R845 I884 | L776-F841 HydrophobicContact CB-CB 4.26Å; K777-F841 WeakPolarHBondContact O-CB 3.42Å; C778-F841 HydrophobicContact CB-CB 4.48Å; C778-F841 HydrophobicContact CB-CD1 3.84Å; C778-F841 HydrophobicContact CB-CE1 4.23Å; C778-F841 HydrophobicContact CB-CG 4.07Å; D782-F841 WeakPolarHBondContact OD2-CB 3.31Å; D782-F841 PolarHBondContact OD2-N 3.12Å; F841-Y843 VanDerWaalsContact C-N 3.26Å; F841-Y843 PolarHBondContact O-N 3.03Å; F841-L844 PolarHBondContact O-N 3.31Å; F841-L844 VanDerWaalsContact O-N 3.13Å; F841-R845 HydrophobicContact CE1-CB 4.39Å; F841-R845 HydrophobicContact CZ-CB 4.45Å; F841-R845 WeakPolarHBondContact O-CB 3Å; F841-R845 PolarHBondContact O-N 3Å; F841-I884 WeakPolarHBondContact CE2-O 3.29Å |
| 842 | L | 84.2 | Confident | 86.7 | Confident | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -59.8 | -36.1 | 178.9 | -79.7 | 173.5 | 0 | 0 | 0 | 112.7 | D782 L784 L785 F791 F792 S840 A846 Y906 | D782-L842 HydrophobicContact CB-CD1 4.28Å; D782-L842 PolarHBondContact OD2-N 2.77Å; L784-L842 HydrophobicContact CD2-CB 3.92Å; L785-L842 HydrophobicContact CD1-CD1 3.88Å; L785-L842 HydrophobicContact CD2-CD1 3.69Å; L785-L842 HydrophobicContact CG-CD1 3.51Å; F791-L842 HydrophobicContact CE1-CB 4.28Å; F792-L842 HydrophobicContact CD2-CD1 4.44Å; F792-L842 HydrophobicContact CD2-CD2 3.84Å; F792-L842 HydrophobicContact CE2-CD2 4.11Å; S840-L842 PolarHBondContact OG-N 3.11Å; L842-A846 WeakPolarHBondContact O-CB 3.4Å; L842-A846 PolarHBondContact O-N 3.06Å; L842-Y906 HydrophobicContact CD2-CE1 3.89Å; L842-Y906 WeakPolarHBondContact CD2-OH 3.48Å |
| 843 | Y | 89.7 | Confident | 87.3 | Confident | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -62.2 | -48.5 | 174.3 | -174.1 | -85.1 | 0 | 0 | 0 | 111.4 | L756 L826 G837 P838 S840 F841 A846 L847 | L756-Y843 VanDerWaalsContact CD2-OH 3.22Å; L756-Y843 WeakPolarHBondContact CD2-OH 3.39Å; L826-Y843 HydrophobicContact CB-CE2 4.13Å; L826-Y843 HydrophobicContact CD2-CD2 3.66Å; L826-Y843 HydrophobicContact CD2-CE2 3.75Å; L826-Y843 HydrophobicContact CD2-CG 4.1Å; L826-Y843 WeakPolarHBondContact O-CE2 3.33Å; G837-Y843 WeakPolarHBondContact O-CB 3.27Å; G837-Y843 VanDerWaalsContact O-CG 3.29Å; P838-Y843 HydrophobicContact CG-CE1 4.34Å; S840-Y843 PolarHBondContact O-N 2.75Å; S840-Y843 PolarHBondContact OG-N 3.13Å; S840-Y843 VanDerWaalsContact OG-N 3.08Å; F841-Y843 VanDerWaalsContact C-N 3.26Å; F841-Y843 PolarHBondContact O-N 3.03Å; Y843-A846 PolarHBondContact O-N 3.06Å; Y843-L847 HydrophobicContact CE1-CD2 4.43Å; Y843-L847 WeakPolarHBondContact O-CB 3.35Å; Y843-L847 PolarHBondContact O-N 3.46Å |
| 844 | L | 86.2 | Confident | 88 | Confident | 10 Ų | 10 | 8.8 Ų | 8.8 | 5% | 0.052 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -63.1 | -43.7 | 178.7 | -63.6 | 178.7 | 0 | 0 | 0 | 111.7 | L760 W774 L776 S840 F841 L847 A848 | L760-L844 HydrophobicContact CD1-CD2 3.28Å; L760-L844 HydrophobicContact CD2-CD2 4.18Å; L760-L844 HydrophobicContact CG-CD2 4.36Å; W774-L844 HydrophobicContact CH2-CD1 4.17Å; W774-L844 HydrophobicContact CH2-CD2 4.33Å; W774-L844 HydrophobicContact CZ2-CD1 3.72Å; W774-L844 HydrophobicContact CZ2-CD2 4.12Å; W774-L844 HydrophobicContact CZ2-CG 4.45Å; L776-L844 HydrophobicContact CD1-CD1 3.58Å; L776-L844 HydrophobicContact CD2-CD1 3.7Å; L776-L844 HydrophobicContact CG-CD1 4.3Å; S840-L844 WeakPolarHBondContact O-CG 3.21Å; S840-L844 PolarHBondContact O-N 2.87Å; F841-L844 PolarHBondContact O-N 3.31Å; F841-L844 VanDerWaalsContact O-N 3.13Å; L844-L847 PolarHBondContact O-N 3.18Å; L844-A848 WeakPolarHBondContact O-CB 3.16Å; L844-A848 PolarHBondContact O-N 3.46Å |
| 845 | R | 83.5 | Confident | 88.4 | Confident | 51 Ų | 51 | 6.5 Ų | 6.5 | 19% | 0.192 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -60.8 | -50.5 | 177.1 | 177.7 | 59.5 | -174.5 | -146.2 | 2.9 | 111.1 | F841 L847 A848 D849 L914 | F841-R845 HydrophobicContact CE1-CB 4.39Å; F841-R845 HydrophobicContact CZ-CB 4.45Å; F841-R845 WeakPolarHBondContact O-CB 3Å; F841-R845 PolarHBondContact O-N 3Å; R845-L847 VanDerWaalsContact C-N 3.32Å; R845-L847 PolarHBondContact O-N 3.2Å; R845-A848 WeakPolarHBondContact O-CB 3.5Å; R845-A848 PolarHBondContact O-N 2.78Å; R845-D849 IonicContact NE-OD1 2.62Å; R845-D849 IonicContact NE-OD2 3.97Å; R845-D849 PolarHBondContact NE-OD2 3.29Å; R845-D849 IonicContact NH2-OD1 3.81Å; R845-D849 PolarHBondContact O-N 3.2Å; R845-D849 VanDerWaalsContact O-OD2 3.05Å; R845-L914 VanDerWaalsContact NE-CD1 3.29Å |
| 846 | A | 89.2 | Confident | 88.7 | Confident | 0 Ų | 0 | 6.2 Ų | 6.2 | 0% | 0 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -61.1 | -39.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | F791 Y795 M822 L826 L842 Y843 D849 L850 | F791-A846 HydrophobicContact CE1-CB 4.27Å; F791-A846 HydrophobicContact CZ-CB 3.95Å; Y795-A846 HydrophobicContact CD2-CB 3.99Å; Y795-A846 HydrophobicContact CE2-CB 3.88Å; M822-A846 HydrophobicContact CE-CB 3.58Å; M822-A846 WeakPolarHBondContact CE-O 3.21Å; L826-A846 HydrophobicContact CD2-CB 3.88Å; L842-A846 WeakPolarHBondContact O-CB 3.4Å; L842-A846 PolarHBondContact O-N 3.06Å; Y843-A846 PolarHBondContact O-N 3.06Å; A846-D849 PolarHBondContact O-N 3.22Å; A846-L850 WeakPolarHBondContact O-CB 3.41Å; A846-L850 PolarHBondContact O-N 2.87Å |
| 847 | L | 91.8 | Very high | 89.1 | Confident | 3 Ų | 3 | 5.4 Ų | 5.4 | 2% | 0.016 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -64.9 | -40.9 | 175.3 | -178.1 | 63 | 0 | 0 | 0 | 111.8 | L756 V757 L760 L826 Y843 L844 R845 L850 I851 I869 | L756-L847 HydrophobicContact CB-CD1 4.05Å; L756-L847 HydrophobicContact CD1-CD1 4.26Å; V757-L847 HydrophobicContact CG2-CD2 4.36Å; L760-L847 HydrophobicContact CD2-CD2 4.1Å; L826-L847 HydrophobicContact CD1-CB 4.14Å; L826-L847 HydrophobicContact CD1-CD1 4.03Å; Y843-L847 HydrophobicContact CE1-CD2 4.43Å; Y843-L847 WeakPolarHBondContact O-CB 3.35Å; Y843-L847 PolarHBondContact O-N 3.46Å; L844-L847 PolarHBondContact O-N 3.18Å; R845-L847 VanDerWaalsContact C-N 3.32Å; R845-L847 PolarHBondContact O-N 3.2Å; L847-L850 HydrophobicContact CD1-CD2 4.48Å; L847-L850 PolarHBondContact O-N 3.22Å; L847-I851 HydrophobicContact CG-CD1 4.43Å; L847-I851 WeakPolarHBondContact O-CG1 3.44Å; L847-I851 PolarHBondContact O-N 3.16Å; L847-I869 HydrophobicContact CD2-CD1 4Å; L847-I869 HydrophobicContact CD2-CG1 4.36Å; L847-I869 HydrophobicContact CG-CD1 3.87Å |
| 848 | A | 87.9 | Confident | 89.4 | Confident | 0 Ų | 0 | 5.4 Ų | 5.4 | 0% | 0 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -61.3 | -48 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | L844 R845 L850 I851 V852 W866 L885 L914 | L844-A848 WeakPolarHBondContact O-CB 3.16Å; L844-A848 PolarHBondContact O-N 3.46Å; R845-A848 WeakPolarHBondContact O-CB 3.5Å; R845-A848 PolarHBondContact O-N 2.78Å; A848-L850 VanDerWaalsContact C-N 3.32Å; A848-L850 PolarHBondContact O-N 3.41Å; A848-I851 PolarHBondContact O-N 3.4Å; A848-V852 WeakPolarHBondContact O-CG2 3.43Å; A848-V852 PolarHBondContact O-N 3.11Å; A848-W866 HydrophobicContact CB-CH2 4.3Å; A848-W866 HydrophobicContact CB-CZ3 3.85Å; A848-L885 HydrophobicContact CB-CD1 4.45Å; A848-L885 HydrophobicContact CB-CD2 4.46Å; A848-L914 HydrophobicContact CB-CD1 4.33Å |
| 849 | D | 87.6 | Confident | 89.6 | Confident | 1 Ų | 1 | 5.5 Ų | 5.5 | 1% | 0.005 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -60.3 | -41.3 | 178.8 | -71.3 | -53.7 | 0 | 0 | 0 | 112.1 | Y795 I799 M822 R845 A846 I851 V852 M853 W910 L914 | Y795-D849 HydrophobicContact CE2-CB 4.4Å; Y795-D849 PolarHBondContact OH-OD2 3.08Å; I799-D849 HydrophobicContact CD1-CB 4.25Å; M822-D849 HydrophobicContact CE-CB 4.48Å; R845-D849 IonicContact NE-OD1 2.62Å; R845-D849 IonicContact NE-OD2 3.97Å; R845-D849 PolarHBondContact NE-OD2 3.29Å; R845-D849 IonicContact NH2-OD1 3.81Å; R845-D849 PolarHBondContact O-N 3.2Å; R845-D849 VanDerWaalsContact O-OD2 3.05Å; A846-D849 PolarHBondContact O-N 3.22Å; D849-I851 VanDerWaalsContact C-N 3.32Å; D849-I851 PolarHBondContact O-N 2.8Å; D849-V852 PolarHBondContact O-N 3.24Å; D849-M853 HydrophobicContact CB-CE 4.24Å; D849-M853 WeakPolarHBondContact O-CE 3.01Å; D849-M853 PolarHBondContact O-N 3.16Å; D849-W910 HydrophobicContact CB-CH2 3.68Å; D849-W910 HydrophobicContact CB-CZ2 3.97Å; D849-W910 HydrophobicContact CB-CZ3 4.27Å; D849-W910 WeakPolarHBondContact O-CH2 3.49Å; D849-W910 WeakPolarHBondContact OD1-CH2 2.98Å; D849-W910 WeakPolarHBondContact OD1-CZ3 3.37Å; D849-L914 WeakPolarHBondContact OD1-CD1 3.25Å |
| 850 | L | 93.4 | Very high | 89.9 | Confident | 1 Ų | 1 | 4.3 Ų | 4.3 | 1% | 0.005 | 2% | 0.02 | C | C | . | . | H | α-helix | trans | -55.6 | -46.8 | 175.8 | 172 | 58.3 | 0 | 0 | 0 | 111.7 | M753 L819 M822 L826 A846 L847 A848 L854 | M753-L850 HydrophobicContact SD-CD1 4.26Å; M753-L850 HydrophobicContact SD-CD2 3.91Å; M753-L850 HydrophobicContact SD-CG 4.09Å; L819-L850 HydrophobicContact CB-CD1 3.87Å; L819-L850 HydrophobicContact CD2-CD1 3.88Å; L819-L850 HydrophobicContact CG-CD1 4.4Å; M822-L850 HydrophobicContact CB-CD1 4.11Å; M822-L850 HydrophobicContact CG-CB 4.08Å; M822-L850 HydrophobicContact CG-CD1 4.11Å; M822-L850 HydrophobicContact CG-CD2 4.43Å; M822-L850 HydrophobicContact CG-CG 4.44Å; L826-L850 HydrophobicContact CD1-CD2 3.88Å; A846-L850 WeakPolarHBondContact O-CB 3.41Å; A846-L850 PolarHBondContact O-N 2.87Å; L847-L850 HydrophobicContact CD1-CD2 4.48Å; L847-L850 PolarHBondContact O-N 3.22Å; A848-L850 VanDerWaalsContact C-N 3.32Å; A848-L850 PolarHBondContact O-N 3.41Å; L850-L854 WeakPolarHBondContact O-CB 3.34Å; L850-L854 PolarHBondContact O-N 2.63Å; L850-L854 VanDerWaalsContact O-N 3.12Å |
| 851 | I | 92.3 | Very high | 90.1 | Very high | 2 Ų | 2 | 4.6 Ų | 4.6 | 1% | 0.01 | 2% | 0.021 | C | C | . | . | H | α-helix | trans | -68 | -41.1 | -179 | -68.1 | 163 | 0 | 0 | 0 | 110.9 | V757 L847 A848 D849 L854 T855 A862 L865 W866 I869 F923 | V757-I851 HydrophobicContact CG2-CD1 4.42Å; L847-I851 HydrophobicContact CG-CD1 4.43Å; L847-I851 WeakPolarHBondContact O-CG1 3.44Å; L847-I851 PolarHBondContact O-N 3.16Å; A848-I851 PolarHBondContact O-N 3.4Å; D849-I851 VanDerWaalsContact C-N 3.32Å; D849-I851 PolarHBondContact O-N 2.8Å; I851-L854 WeakPolarHBondContact O-CB 3.34Å; I851-L854 PolarHBondContact O-N 3.49Å; I851-T855 PolarHBondContact O-N 2.88Å; I851-T855 PolarHBondContact O-OG1 2.97Å; I851-A862 HydrophobicContact CG2-CB 4.03Å; I851-A862 VanDerWaalsContact CG2-O 3.29Å; I851-A862 WeakPolarHBondContact CG2-O 3.28Å; I851-L865 HydrophobicContact CD1-CB 3.67Å; I851-L865 HydrophobicContact CG1-CB 3.88Å; I851-L865 HydrophobicContact CG1-CD1 4.31Å; I851-L865 HydrophobicContact CG2-CB 4.33Å; I851-W866 HydrophobicContact CB-CE3 4.34Å; I851-W866 HydrophobicContact CG2-CB 4.08Å; I851-W866 HydrophobicContact CG2-CE3 3.96Å; I851-I869 HydrophobicContact CD1-CD1 3.26Å; I851-I869 HydrophobicContact CD1-CG1 4.05Å; I851-F923 HydrophobicContact CG2-CE1 4.15Å; I851-F923 HydrophobicContact CG2-CZ 4.18Å |
| 852 | V | 88.3 | Confident | 90.5 | Very high | 1 Ų | 1 | 4.4 Ų | 4.4 | 1% | 0.006 | 2% | 0.02 | C | C | . | . | H | α-helix | trans | -65.4 | -43.5 | 178 | -177.4 | 0 | 0 | 0 | 0 | 111.7 | M89 A848 D849 L854 T855 W866 W910 Y912 L914 Y917 F923 | M89-V852 HydrophobicContact CE-CG1 3.54Å; A848-V852 WeakPolarHBondContact O-CG2 3.43Å; A848-V852 PolarHBondContact O-N 3.11Å; D849-V852 PolarHBondContact O-N 3.24Å; V852-L854 PolarHBondContact O-N 3.47Å; V852-T855 WeakPolarHBondContact O-CB 3.4Å; V852-T855 PolarHBondContact O-N 2.87Å; V852-T855 VanDerWaalsContact O-N 3.15Å; V852-T855 PolarHBondContact O-OG1 3.37Å; V852-W866 HydrophobicContact CG2-CE3 4.3Å; V852-W866 HydrophobicContact CG2-CH2 4.17Å; V852-W866 HydrophobicContact CG2-CZ3 3.7Å; V852-W910 HydrophobicContact CB-CH2 3.82Å; V852-W910 HydrophobicContact CB-CZ3 4.15Å; V852-W910 HydrophobicContact CG1-CH2 4.06Å; V852-W910 HydrophobicContact CG1-CZ3 4.11Å; V852-Y912 HydrophobicContact CB-CE2 4.43Å; V852-Y912 HydrophobicContact CG1-CD2 3.98Å; V852-Y912 HydrophobicContact CG1-CE2 3.49Å; V852-Y912 VanDerWaalsContact CG1-CE2 3.49Å; V852-L914 HydrophobicContact CB-CD2 4.14Å; V852-L914 HydrophobicContact CG1-CD2 4.35Å; V852-L914 HydrophobicContact CG2-CD2 3.41Å; V852-L914 VanDerWaalsContact CG2-CD2 3.41Å; V852-Y917 HydrophobicContact CG1-CD2 3.72Å; V852-Y917 HydrophobicContact CG1-CE2 3.62Å; V852-F923 HydrophobicContact CB-CE2 4.39Å; V852-F923 HydrophobicContact CB-CZ 4.37Å; V852-F923 HydrophobicContact CG1-CE2 4.46Å; V852-F923 HydrophobicContact CG2-CE2 3.6Å; V852-F923 HydrophobicContact CG2-CZ 3.87Å |
| 853 | M | 91.8 | Very high | 90.7 | Very high | 1 Ų | 1 | 4.5 Ų | 4.5 | 1% | 0.005 | 2% | 0.021 | C | C | . | . | H | α-helix | trans | -63.2 | -27.8 | 174.2 | -86.7 | 171.6 | -52.7 | 0 | 0 | 114.3 | I799 V802 Y806 L819 D849 W910 | I799-M853 HydrophobicContact CG1-CE 4.2Å; I799-M853 HydrophobicContact CG1-SD 4.46Å; V802-M853 HydrophobicContact CB-CG 4.43Å; V802-M853 HydrophobicContact CB-SD 3.54Å; V802-M853 VanDerWaalsContact CB-SD 3.54Å; V802-M853 HydrophobicContact CG1-CB 4.21Å; V802-M853 HydrophobicContact CG1-CG 3.6Å; V802-M853 HydrophobicContact CG1-SD 3.39Å; V802-M853 WeakPolarHBondContact CG1-SD 3.35Å; V802-M853 HydrophobicContact CG2-SD 3.76Å; Y806-M853 PolarHBondContact OH-O 3.36Å; L819-M853 HydrophobicContact CD1-CB 4.48Å; L819-M853 HydrophobicContact CD2-CB 3.42Å; L819-M853 VanDerWaalsContact CD2-CB 3.42Å; L819-M853 HydrophobicContact CD2-CE 3.91Å; L819-M853 HydrophobicContact CD2-CG 4.27Å; L819-M853 HydrophobicContact CD2-SD 4.12Å; D849-M853 HydrophobicContact CB-CE 4.24Å; D849-M853 WeakPolarHBondContact O-CE 3.01Å; D849-M853 PolarHBondContact O-N 3.16Å; M853-W910 HydrophobicContact CB-CZ2 4.4Å; M853-W910 HydrophobicContact CE-CZ2 3.9Å; M853-W910 HydrophobicContact CG-CH2 4.09Å; M853-W910 HydrophobicContact CG-CZ2 3.27Å; M853-W910 HydrophobicContact SD-CZ2 3.57Å; M853-W910 VanDerWaalsContact SD-CZ2 3.57Å |
| 854 | L | 94.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 4.7 Ų | 4.7 | 0% | 0 | 2% | 0.021 | C | C | . | . | H | α-helix | trans | -75.3 | -27.6 | 177.4 | 178.8 | 65.2 | 0 | 0 | 0 | 112.5 | W749 M753 L819 L850 I851 V852 I857 A858 A862 L865 | W749-L854 HydrophobicContact CH2-CD1 3.98Å; M753-L854 HydrophobicContact CE-CD2 3.17Å; M753-L854 HydrophobicContact SD-CD2 4.35Å; L819-L854 HydrophobicContact CD1-CB 4.26Å; L819-L854 HydrophobicContact CD1-CD1 4.17Å; L850-L854 WeakPolarHBondContact O-CB 3.34Å; L850-L854 PolarHBondContact O-N 2.63Å; L850-L854 VanDerWaalsContact O-N 3.12Å; I851-L854 WeakPolarHBondContact O-CB 3.34Å; I851-L854 PolarHBondContact O-N 3.49Å; V852-L854 PolarHBondContact O-N 3.47Å; L854-I857 HydrophobicContact CD1-CB 4.41Å; L854-I857 WeakPolarHBondContact O-CA 3.49Å; L854-I857 WeakPolarHBondContact O-CB 3.38Å; L854-I857 PolarHBondContact O-N 3.36Å; L854-A858 HydrophobicContact CD1-CB 3.91Å; L854-A858 HydrophobicContact CD2-CB 4.42Å; L854-A858 HydrophobicContact CG-CB 3.99Å; L854-A858 PolarHBondContact O-N 2.86Å; L854-A862 HydrophobicContact CD2-CB 4.47Å; L854-A862 HydrophobicContact CG-CB 4.46Å; L854-L865 HydrophobicContact CD2-CD1 4.46Å |
| 855 | T | 92.1 | Very high | 91 | Very high | 7 Ų | 7 | 4.3 Ų | 4.3 | 4% | 0.043 | 2% | 0.02 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -41.6 | -168.2 | -59.5 | 0 | 0 | 0 | 0 | 114.4 | M89 I851 V852 I857 P859 A862 F923 | M89-T855 HydrophobicContact CE-CG2 4.23Å; M89-T855 HydrophobicContact SD-CG2 4Å; I851-T855 PolarHBondContact O-N 2.88Å; I851-T855 PolarHBondContact O-OG1 2.97Å; V852-T855 WeakPolarHBondContact O-CB 3.4Å; V852-T855 PolarHBondContact O-N 2.87Å; V852-T855 VanDerWaalsContact O-N 3.15Å; V852-T855 PolarHBondContact O-OG1 3.37Å; T855-I857 PolarHBondContact O-N 2.76Å; T855-P859 WeakPolarHBondContact O-CA 3.42Å; T855-P859 WeakPolarHBondContact O-CB 3.47Å; T855-P859 WeakPolarHBondContact O-CD 3.47Å; T855-A862 HydrophobicContact CG2-CB 4.49Å; T855-A862 VanDerWaalsContact OG1-CB 3.28Å; T855-A862 WeakPolarHBondContact OG1-CB 3.13Å; T855-F923 HydrophobicContact CG2-CE1 3.95Å; T855-F923 HydrophobicContact CG2-CZ 4.15Å; T855-F923 WeakPolarHBondContact OG1-CE1 3.32Å; T855-F923 WeakPolarHBondContact OG1-CZ 3.21Å |
| 856 | P | 92 | Very high | 91.1 | Very high | 2 Ų | 2 | 2 Ų | 2 | 1% | 0.013 | 1% | 0.011 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -32.4 | 174.7 | -25.1 | 35.4 | 0 | 0 | 0 | 113.6 | V82 R85 M89 R722 Y806 | V82-P856 HydrophobicContact CG1-CB 4.1Å; V82-P856 WeakPolarHBondContact CG2-O 3.23Å; V82-P856 WeakPolarHBondContact O-CB 3.3Å; R85-P856 HydrophobicContact CB-CB 4.01Å; M89-P856 HydrophobicContact SD-CG 3.86Å; R722-P856 PolarHBondContact NH2-O 2.92Å; Y806-P856 HydrophobicContact CE1-CB 4.29Å |
| 857 | I | 95.3 | Very high | 91 | Very high | 0 Ų | 0 | 2.1 Ų | 2.1 | 0% | 0 | 1% | 0.012 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -48 | -177 | -63 | 164.5 | 0 | 0 | 0 | 111.6 | V82 R722 I723 L726 Y806 I812 V815 I816 L819 L854 T855 | V82-I857 HydrophobicContact CG1-CG1 4.04Å; V82-I857 HydrophobicContact CG2-CG1 4.22Å; R722-I857 PolarHBondContact NE-O 2.87Å; I723-I857 HydrophobicContact CG1-CG2 3.76Å; L726-I857 HydrophobicContact CD1-CG2 4.27Å; Y806-I857 VanDerWaalsContact OH-CD1 3.22Å; Y806-I857 WeakPolarHBondContact OH-CD1 3.33Å; Y806-I857 WeakPolarHBondContact OH-CG1 3.44Å; I812-I857 HydrophobicContact CG2-CD1 3.85Å; I812-I857 HydrophobicContact CG2-CG1 3.98Å; V815-I857 HydrophobicContact CB-CD1 4.39Å; V815-I857 HydrophobicContact CG1-CD1 3.8Å; I816-I857 HydrophobicContact CD1-CD1 4.49Å; I816-I857 HydrophobicContact CD1-CG2 4.46Å; I816-I857 HydrophobicContact CG1-CD1 3.81Å; L819-I857 HydrophobicContact CD1-CD1 4.4Å; L854-I857 HydrophobicContact CD1-CB 4.41Å; L854-I857 WeakPolarHBondContact O-CA 3.49Å; L854-I857 WeakPolarHBondContact O-CB 3.38Å; L854-I857 PolarHBondContact O-N 3.36Å; T855-I857 PolarHBondContact O-N 2.76Å |
| 858 | A | 94.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 2 Ų | 2 | 0% | 0 | 1% | 0.011 | C | C | . | . | trans | -134.6 | 73.4 | -173.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | D719 I723 L854 I860 A862 | D719-A858 HydrophobicContact CB-CB 3.88Å; D719-A858 WeakPolarHBondContact OD1-CA 3.29Å; D719-A858 VanDerWaalsContact OD2-CA 3.29Å; D719-A858 WeakPolarHBondContact OD2-CA 3.45Å; D719-A858 WeakPolarHBondContact OD2-CB 3.26Å; I723-A858 HydrophobicContact CD1-CB 3.85Å; I723-A858 HydrophobicContact CG1-CB 4.15Å; L854-A858 HydrophobicContact CD1-CB 3.91Å; L854-A858 HydrophobicContact CD2-CB 4.42Å; L854-A858 HydrophobicContact CG-CB 3.99Å; L854-A858 PolarHBondContact O-N 2.86Å; A858-I860 VanDerWaalsContact C-N 3.31Å; A858-I860 PolarHBondContact O-N 3.46Å; A858-A862 WeakPolarHBondContact O-CB 3.3Å; A858-A862 PolarHBondContact O-N 2.63Å | ||
| 859 | P | 92.1 | Very high | 90.6 | Very high | 3 Ų | 3 | 2.2 Ų | 2.2 | 2% | 0.019 | 1% | 0.012 | C | C | . | . | H | α-helix | trans | -65.6 | -28.6 | -172.3 | 25.6 | -35.8 | 0 | 0 | 0 | 113.7 | I38 M718 D719 T855 S863 | I38-P859 HydrophobicContact CD1-CB 4.01Å; I38-P859 HydrophobicContact CG2-CB 4.36Å; M718-P859 HydrophobicContact CE-CG 4.22Å; D719-P859 WeakPolarHBondContact OD1-CD 3.42Å; T855-P859 WeakPolarHBondContact O-CA 3.42Å; T855-P859 WeakPolarHBondContact O-CB 3.47Å; T855-P859 WeakPolarHBondContact O-CD 3.47Å; P859-S863 VanDerWaalsContact O-CB 3.27Å; P859-S863 WeakPolarHBondContact O-CB 3.31Å; P859-S863 PolarHBondContact O-N 3.06Å; P859-S863 PolarHBondContact O-OG 3Å |
| 860 | I | 91 | Very high | 90.3 | Very high | 4 Ų | 4 | 3 Ų | 3 | 2% | 0.021 | 2% | 0.016 | C | C | . | . | H | α-helix | trans | -73.3 | -52.1 | -179.8 | -60.1 | 177.9 | 0 | 0 | 0 | 110 | L30 E31 W34 L35 I38 M718 D719 A858 A862 S863 E864 | L30-I860 HydrophobicContact CB-CG2 3.87Å; E31-I860 HydrophobicContact CB-CD1 4.46Å; E31-I860 HydrophobicContact CG-CD1 3.76Å; W34-I860 HydrophobicContact CB-CG2 4.19Å; L35-I860 HydrophobicContact CD1-CD1 4.41Å; L35-I860 HydrophobicContact CD2-CD1 3.75Å; L35-I860 HydrophobicContact CD2-CG1 4.32Å; L35-I860 HydrophobicContact CG-CD1 3.79Å; L35-I860 HydrophobicContact CG-CG1 4.5Å; I38-I860 HydrophobicContact CD1-CB 4.43Å; I38-I860 HydrophobicContact CD1-CG1 3.74Å; M718-I860 HydrophobicContact CB-CD1 4.46Å; M718-I860 HydrophobicContact CE-CD1 3.32Å; M718-I860 HydrophobicContact CE-CG1 3.65Å; M718-I860 HydrophobicContact SD-CD1 4.16Å; D719-I860 WeakPolarHBondContact OD2-CA 3.45Å; D719-I860 VanDerWaalsContact OD2-CB 3.26Å; D719-I860 WeakPolarHBondContact OD2-CB 3.31Å; D719-I860 PolarHBondContact OD2-N 3.05Å; A858-I860 VanDerWaalsContact C-N 3.31Å; A858-I860 PolarHBondContact O-N 3.46Å; I860-A862 VanDerWaalsContact C-N 3.33Å; I860-A862 PolarHBondContact O-N 3.36Å; I860-S863 PolarHBondContact O-N 2.87Å; I860-E864 PolarHBondContact O-N 3.31Å |
| 861 | Y | 91.6 | Very high | 89.7 | Confident | 6 Ų | 6 | 4.3 Ų | 4.3 | 2% | 0.024 | 2% | 0.021 | C | C | . | . | H | α-helix | trans | -63.1 | -41.9 | 177.2 | -90.7 | -77.7 | 0 | 0 | 0 | 111.1 | Y22 L30 D719 L750 S863 E864 L865 | Y22-Y861 HydrophobicContact CD1-CE1 4.5Å; Y22-Y861 HydrophobicContact CE1-CE1 4.09Å; L30-Y861 HydrophobicContact CD1-CD1 4.4Å; L30-Y861 HydrophobicContact CD1-CE1 4.05Å; D719-Y861 HydrophobicContact CB-CD2 3.6Å; D719-Y861 HydrophobicContact CB-CE2 4.18Å; D719-Y861 PolarHBondContact OD2-N 3.47Å; L750-Y861 HydrophobicContact CD1-CD2 4.09Å; L750-Y861 HydrophobicContact CD1-CE1 4.37Å; L750-Y861 HydrophobicContact CD1-CE2 3.76Å; L750-Y861 HydrophobicContact CD2-CD1 4.44Å; L750-Y861 HydrophobicContact CD2-CD2 4.49Å; L750-Y861 HydrophobicContact CD2-CG 4.26Å; Y861-S863 VanDerWaalsContact C-N 3.33Å; Y861-S863 PolarHBondContact O-N 2.5Å; Y861-E864 PolarHBondContact O-N 2.88Å; Y861-L865 VanDerWaalsContact O-CG 3.23Å; Y861-L865 WeakPolarHBondContact O-CG 3.4Å; Y861-L865 PolarHBondContact O-N 3.34Å |
| 862 | A | 91.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 4.2 Ų | 4.2 | 0% | 0 | 2% | 0.021 | C | C | . | . | H | α-helix | trans | -61.9 | -41.5 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | I851 L854 T855 A858 I860 E864 L865 W866 F923 | I851-A862 HydrophobicContact CG2-CB 4.03Å; I851-A862 VanDerWaalsContact CG2-O 3.29Å; I851-A862 WeakPolarHBondContact CG2-O 3.28Å; L854-A862 HydrophobicContact CD2-CB 4.47Å; L854-A862 HydrophobicContact CG-CB 4.46Å; T855-A862 HydrophobicContact CG2-CB 4.49Å; T855-A862 VanDerWaalsContact OG1-CB 3.28Å; T855-A862 WeakPolarHBondContact OG1-CB 3.13Å; A858-A862 WeakPolarHBondContact O-CB 3.3Å; A858-A862 PolarHBondContact O-N 2.63Å; I860-A862 VanDerWaalsContact C-N 3.33Å; I860-A862 PolarHBondContact O-N 3.36Å; A862-E864 PolarHBondContact O-N 3.42Å; A862-L865 PolarHBondContact O-N 3.15Å; A862-W866 VanDerWaalsContact O-CB 3.25Å; A862-W866 WeakPolarHBondContact O-CB 3.37Å; A862-W866 PolarHBondContact O-N 2.77Å; A862-F923 HydrophobicContact CB-CE1 4.08Å |
| 863 | S | 89 | Confident | 88.6 | Confident | 3 Ų | 3 | 4.2 Ų | 4.2 | 2% | 0.021 | 2% | 0.021 | C | C | . | . | H | α-helix | trans | -61.6 | -42.3 | 174.9 | -63.9 | 0 | 0 | 0 | 0 | 112.5 | W34 P859 I860 Y861 S867 | W34-S863 WeakPolarHBondContact CZ2-O 3.24Å; P859-S863 VanDerWaalsContact O-CB 3.27Å; P859-S863 WeakPolarHBondContact O-CB 3.31Å; P859-S863 PolarHBondContact O-N 3.06Å; P859-S863 PolarHBondContact O-OG 3Å; I860-S863 PolarHBondContact O-N 2.87Å; Y861-S863 VanDerWaalsContact C-N 3.33Å; Y861-S863 PolarHBondContact O-N 2.5Å; S863-S867 WeakPolarHBondContact O-CB 3.43Å; S863-S867 PolarHBondContact O-N 2.66Å |
| 864 | E | 90.3 | Very high | 87.6 | Confident | 3 Ų | 3 | 7.4 Ų | 7.4 | 1% | 0.014 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -63.6 | -51.9 | 175.1 | -173.8 | 65.4 | -174.8 | 0 | 0 | 110.8 | Y12 L13 L30 K33 W34 I860 Y861 A862 W866 S867 G868 | Y12-E864 PolarHBondContact OH-O 2.78Å; L13-E864 HydrophobicContact CD1-CG 3.42Å; L13-E864 VanDerWaalsContact CD1-CG 3.42Å; L13-E864 VanDerWaalsContact CD1-OE1 3.28Å; L13-E864 WeakPolarHBondContact CD1-OE1 3.46Å; L30-E864 HydrophobicContact CD2-CB 4.03Å; L30-E864 VanDerWaalsContact CD2-CD 3.48Å; L30-E864 HydrophobicContact CD2-CG 3.6Å; K33-E864 IonicContact NZ-OE1 3.23Å; K33-E864 IonicContact NZ-OE2 3.83Å; K33-E864 PolarHBondContact NZ-OE2 3.48Å; W34-E864 VanDerWaalsContact CE2-OE2 3.3Å; W34-E864 WeakPolarHBondContact CZ2-OE2 3.39Å; W34-E864 PolarHBondContact NE1-OE2 3.46Å; I860-E864 PolarHBondContact O-N 3.31Å; Y861-E864 PolarHBondContact O-N 2.88Å; A862-E864 PolarHBondContact O-N 3.42Å; E864-W866 VanDerWaalsContact C-N 3.26Å; E864-W866 PolarHBondContact O-N 2.96Å; E864-S867 WeakPolarHBondContact O-CB 3.38Å; E864-S867 PolarHBondContact O-N 2.79Å; E864-S867 VanDerWaalsContact O-N 3.13Å; E864-G868 PolarHBondContact O-N 3.2Å |
| 865 | L | 91.2 | Very high | 86.2 | Confident | 3 Ų | 3 | 9 Ų | 9 | 2% | 0.016 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -58.2 | -41.2 | -179.7 | -66 | 168.3 | 0 | 0 | 0 | 111.8 | M753 N754 V757 I851 L854 Y861 A862 G868 I869 | M753-L865 HydrophobicContact CB-CD1 4.3Å; M753-L865 HydrophobicContact CE-CD1 3.32Å; N754-L865 VanDerWaalsContact OD1-CD2 3.27Å; N754-L865 WeakPolarHBondContact OD1-CD2 3.45Å; V757-L865 HydrophobicContact CB-CD2 4.24Å; V757-L865 HydrophobicContact CG2-CB 4.19Å; V757-L865 HydrophobicContact CG2-CD2 3.68Å; I851-L865 HydrophobicContact CD1-CB 3.67Å; I851-L865 HydrophobicContact CG1-CB 3.88Å; I851-L865 HydrophobicContact CG1-CD1 4.31Å; I851-L865 HydrophobicContact CG2-CB 4.33Å; L854-L865 HydrophobicContact CD2-CD1 4.46Å; Y861-L865 VanDerWaalsContact O-CG 3.23Å; Y861-L865 WeakPolarHBondContact O-CG 3.4Å; Y861-L865 PolarHBondContact O-N 3.34Å; A862-L865 PolarHBondContact O-N 3.15Å; L865-G868 PolarHBondContact O-N 3.12Å; L865-G868 VanDerWaalsContact O-N 3.12Å; L865-I869 PolarHBondContact O-N 3.44Å |
| 866 | W | 87.2 | Confident | 84.5 | Confident | 2 Ų | 2 | 9.4 Ų | 9.4 | 1% | 0.008 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -62.6 | -43.3 | 177 | -169.3 | -100.3 | 0 | 0 | 0 | 112.6 | A848 I851 V852 A862 E864 G868 I869 Q870 L881 L885 L914 V918 F923 | A848-W866 HydrophobicContact CB-CH2 4.3Å; A848-W866 HydrophobicContact CB-CZ3 3.85Å; I851-W866 HydrophobicContact CB-CE3 4.34Å; I851-W866 HydrophobicContact CG2-CB 4.08Å; I851-W866 HydrophobicContact CG2-CE3 3.96Å; V852-W866 HydrophobicContact CG2-CE3 4.3Å; V852-W866 HydrophobicContact CG2-CH2 4.17Å; V852-W866 HydrophobicContact CG2-CZ3 3.7Å; A862-W866 VanDerWaalsContact O-CB 3.25Å; A862-W866 WeakPolarHBondContact O-CB 3.37Å; A862-W866 PolarHBondContact O-N 2.77Å; E864-W866 VanDerWaalsContact C-N 3.26Å; E864-W866 PolarHBondContact O-N 2.96Å; W866-G868 PolarHBondContact O-N 3.06Å; W866-G868 VanDerWaalsContact O-N 3.12Å; W866-I869 PolarHBondContact O-N 3.21Å; W866-Q870 PolarHBondContact O-N 2.83Å; W866-L881 HydrophobicContact CH2-CD2 4.01Å; W866-L881 HydrophobicContact CZ2-CD2 3.59Å; W866-L885 HydrophobicContact CH2-CD1 4.23Å; W866-L914 HydrophobicContact CH2-CD2 4.42Å; W866-V918 HydrophobicContact CH2-CG2 4.25Å; W866-V918 HydrophobicContact CZ2-CG2 3.74Å; W866-F923 HydrophobicContact CB-CB 4.49Å; W866-F923 HydrophobicContact CB-CD1 3.78Å; W866-F923 HydrophobicContact CB-CE1 4.11Å; W866-F923 HydrophobicContact CB-CG 4.09Å; W866-F923 AromaticContact CD1-CG 3.59Å; W866-F923 HydrophobicContact CD2-CD1 4.42Å; W866-F923 AromaticContact CD2-CD2 3.86Å; W866-F923 HydrophobicContact CD2-CD2 3.86Å; W866-F923 HydrophobicContact CD2-CE2 4.09Å; W866-F923 HydrophobicContact CD2-CG 4.01Å; W866-F923 HydrophobicContact CD2-CZ 4.41Å; W866-F923 AromaticContact CE2-CD2 3.82Å; W866-F923 HydrophobicContact CE3-CD2 4.41Å; W866-F923 HydrophobicContact CE3-CE2 4.19Å; W866-F923 HydrophobicContact CE3-CZ 4.35Å; W866-F923 HydrophobicContact CG-CB 3.9Å; W866-F923 AromaticContact CG-CD1 3.84Å; W866-F923 HydrophobicContact CG-CD1 3.84Å; W866-F923 AromaticContact CG-CD2 4Å; W866-F923 HydrophobicContact CG-CD2 4Å; W866-F923 HydrophobicContact CG-CE1 4.32Å; W866-F923 HydrophobicContact CG-CE2 4.48Å; W866-F923 AromaticContact CG-CG 3.63Å; W866-F923 HydrophobicContact CG-CG 3.63Å; W866-F923 HydrophobicContact CZ2-CD2 4.32Å; W866-F923 AromaticContact NE1-CD2 3.91Å; W866-F923 AromaticContact NE1-CG 3.89Å |
| 867 | S | 86.2 | Confident | 82.6 | Confident | 3 Ų | 3 | 10.9 Ų | 10.9 | 2% | 0.021 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -56.6 | -28.2 | 174.6 | 178.5 | 0 | 0 | 0 | 0 | 112.4 | S863 E864 F871 F926 | S863-S867 WeakPolarHBondContact O-CB 3.43Å; S863-S867 PolarHBondContact O-N 2.66Å; E864-S867 WeakPolarHBondContact O-CB 3.38Å; E864-S867 PolarHBondContact O-N 2.79Å; E864-S867 VanDerWaalsContact O-N 3.13Å; S867-F871 WeakPolarHBondContact O-CB 2.87Å; S867-F871 PolarHBondContact O-N 3.29Å; S867-F926 WeakPolarHBondContact OG-CD2 3.45Å |
| 868 | G | 86.1 | Confident | 80.4 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -82 | -38 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113 | Y12 E864 L865 W866 Q870 F871 A872 | Y12-G868 WeakPolarHBondContact OH-CA 3.13Å; Y12-G868 PolarHBondContact OH-N 3.08Å; E864-G868 PolarHBondContact O-N 3.2Å; L865-G868 PolarHBondContact O-N 3.12Å; L865-G868 VanDerWaalsContact O-N 3.12Å; W866-G868 PolarHBondContact O-N 3.06Å; W866-G868 VanDerWaalsContact O-N 3.12Å; G868-Q870 VanDerWaalsContact C-N 3.33Å; G868-F871 PolarHBondContact O-N 2.88Å; G868-A872 WeakPolarHBondContact O-CB 3.22Å; G868-A872 PolarHBondContact O-N 3.09Å |
| 869 | I | 85 | Confident | 78.5 | Confident | 4 Ų | 4 | 22.7 Ų | 22.7 | 2% | 0.021 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -59.7 | -48.8 | 168.1 | -62.6 | -171.6 | 0 | 0 | 0 | 109.6 | V757 L760 L847 I851 L865 W866 F871 A872 C873 L881 | V757-I869 HydrophobicContact CG2-CG1 4.45Å; L760-I869 HydrophobicContact CD2-CB 4.25Å; L760-I869 HydrophobicContact CD2-CG1 3.85Å; L760-I869 HydrophobicContact CD2-CG2 4.28Å; L847-I869 HydrophobicContact CD2-CD1 4Å; L847-I869 HydrophobicContact CD2-CG1 4.36Å; L847-I869 HydrophobicContact CG-CD1 3.87Å; I851-I869 HydrophobicContact CD1-CD1 3.26Å; I851-I869 HydrophobicContact CD1-CG1 4.05Å; L865-I869 PolarHBondContact O-N 3.44Å; W866-I869 PolarHBondContact O-N 3.21Å; I869-F871 VanDerWaalsContact C-N 3.32Å; I869-F871 PolarHBondContact O-N 3.04Å; I869-A872 PolarHBondContact O-N 2.83Å; I869-C873 PolarHBondContact O-N 2.89Å; I869-C873 PolarHBondContact O-SG 3.34Å; I869-C873 VanDerWaalsContact O-SG 3.32Å; I869-L881 HydrophobicContact CG2-CD1 3.66Å; I869-L881 HydrophobicContact CG2-CD2 3.86Å; I869-L881 HydrophobicContact CG2-CG 4.4Å |
| 870 | Q | 81.4 | Confident | 77.1 | Confident | 18 Ų | 18 | 25.8 Ų | 25.8 | 8% | 0.084 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -57.5 | -46.2 | 177.3 | -73.5 | -176 | -25.9 | 0 | 0 | 111.7 | W866 G868 C873 L874 L881 F926 | W866-Q870 PolarHBondContact O-N 2.83Å; G868-Q870 VanDerWaalsContact C-N 3.33Å; Q870-C873 PolarHBondContact O-N 3.11Å; Q870-L874 WeakPolarHBondContact O-CB 3.47Å; Q870-L874 VanDerWaalsContact O-CG 3.25Å; Q870-L874 WeakPolarHBondContact O-CG 3.46Å; Q870-L874 PolarHBondContact O-N 3.05Å; Q870-L881 HydrophobicContact CG-CD2 3.83Å; Q870-F926 HydrophobicContact CB-CB 4.2Å |
| 871 | F | 82 | Confident | 75.9 | Confident | 28 Ų | 28 | 26 Ų | 26 | 12% | 0.123 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -58.7 | -48.6 | 177.2 | 178 | -103.7 | 0 | 0 | 0 | 112.1 | Y12 I761 S867 G868 I869 C873 L874 T875 F926 | Y12-F871 HydrophobicContact CD2-CB 4.23Å; Y12-F871 HydrophobicContact CD2-CD1 4.33Å; Y12-F871 HydrophobicContact CD2-CG 4.24Å; Y12-F871 HydrophobicContact CE2-CB 4.35Å; Y12-F871 HydrophobicContact CG-CD1 4.41Å; I761-F871 HydrophobicContact CD1-CD1 4.3Å; I761-F871 HydrophobicContact CG1-CD1 4.21Å; I761-F871 HydrophobicContact CG2-CD1 4.06Å; I761-F871 HydrophobicContact CG2-CE1 3.91Å; S867-F871 WeakPolarHBondContact O-CB 2.87Å; S867-F871 PolarHBondContact O-N 3.29Å; G868-F871 PolarHBondContact O-N 2.88Å; I869-F871 VanDerWaalsContact C-N 3.32Å; I869-F871 PolarHBondContact O-N 3.04Å; F871-C873 PolarHBondContact O-N 3.03Å; F871-L874 PolarHBondContact O-N 3.31Å; F871-T875 HydrophobicContact CD2-CG2 4.39Å; F871-T875 HydrophobicContact CE1-CG2 4.41Å; F871-T875 HydrophobicContact CE2-CG2 3.94Å; F871-T875 HydrophobicContact CZ-CG2 3.95Å; F871-T875 PolarHBondContact O-N 3.41Å; F871-T875 PolarHBondContact O-OG1 3.09Å; F871-T875 VanDerWaalsContact O-OG1 3.09Å; F871-F926 HydrophobicContact CB-CE2 4.28Å; F871-F926 HydrophobicContact CB-CZ 4.44Å; F871-F926 HydrophobicContact CD2-CE1 4.24Å; F871-F926 HydrophobicContact CD2-CE2 4.24Å; F871-F926 AromaticContact CD2-CZ 3.66Å; F871-F926 HydrophobicContact CD2-CZ 3.66Å; F871-F926 HydrophobicContact CE2-CZ 4.47Å; F871-F926 HydrophobicContact CG-CZ 4.49Å |
| 872 | A | 81.3 | Confident | 74.7 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.6 | -42.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | L760 I761 S764 G868 I869 T875 S876 | L760-A872 HydrophobicContact CD1-CB 4.44Å; L760-A872 HydrophobicContact CD2-CB 4.09Å; L760-A872 HydrophobicContact CG-CB 3.71Å; I761-A872 HydrophobicContact CG1-CB 3.93Å; S764-A872 VanDerWaalsContact CB-O 3.29Å; S764-A872 WeakPolarHBondContact CB-O 3.06Å; G868-A872 WeakPolarHBondContact O-CB 3.22Å; G868-A872 PolarHBondContact O-N 3.09Å; I869-A872 PolarHBondContact O-N 2.83Å; A872-T875 PolarHBondContact O-OG1 3.02Å; A872-T875 VanDerWaalsContact O-OG1 3.1Å; A872-S876 PolarHBondContact O-OG 2.68Å |
| 873 | C | 74.9 | Confident | 73.4 | Confident | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.007 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -69.8 | -37.2 | 179.8 | -65.1 | 0 | 0 | 0 | 0 | 112.4 | I869 Q870 F871 S876 T877 L881 I884 | I869-C873 PolarHBondContact O-N 2.89Å; I869-C873 PolarHBondContact O-SG 3.34Å; I869-C873 VanDerWaalsContact O-SG 3.32Å; Q870-C873 PolarHBondContact O-N 3.11Å; F871-C873 PolarHBondContact O-N 3.03Å; C873-S876 PolarHBondContact O-OG 3.26Å; C873-T877 PolarHBondContact O-OG1 2.92Å; C873-L881 HydrophobicContact CB-CB 4.42Å; C873-I884 HydrophobicContact CB-CD1 3.8Å |
| 874 | L | 70.4 | Confident | 72.4 | Confident | 69 Ų | 69 | 33.6 Ų | 33.6 | 36% | 0.361 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -68.7 | -32 | 178.3 | -75.5 | 168.8 | 0 | 0 | 0 | 113.4 | Q870 F871 S876 N880 F926 | Q870-L874 WeakPolarHBondContact O-CB 3.47Å; Q870-L874 VanDerWaalsContact O-CG 3.25Å; Q870-L874 WeakPolarHBondContact O-CG 3.46Å; Q870-L874 PolarHBondContact O-N 3.05Å; F871-L874 PolarHBondContact O-N 3.31Å; L874-S876 VanDerWaalsContact C-N 3.35Å; L874-N880 HydrophobicContact CD2-CB 4.25Å; L874-F926 HydrophobicContact CD1-CD1 3.85Å; L874-F926 HydrophobicContact CD1-CG 4.5Å |
| 875 | T | 65 | Low | 71.4 | Confident | 32 Ų | 32 | 33.6 Ų | 33.6 | 20% | 0.196 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -79.6 | -14.3 | -176 | 44.4 | 0 | 0 | 0 | 0 | 114.5 | S764 H768 F871 A872 | S764-T875 PolarHBondContact OG-OG1 2.92Å; H768-T875 PolarHBondContact ND1-O 2.83Å; F871-T875 HydrophobicContact CD2-CG2 4.39Å; F871-T875 HydrophobicContact CE1-CG2 4.41Å; F871-T875 HydrophobicContact CE2-CG2 3.94Å; F871-T875 HydrophobicContact CZ-CG2 3.95Å; F871-T875 PolarHBondContact O-N 3.41Å; F871-T875 PolarHBondContact O-OG1 3.09Å; F871-T875 VanDerWaalsContact O-OG1 3.09Å; A872-T875 PolarHBondContact O-OG1 3.02Å; A872-T875 VanDerWaalsContact O-OG1 3.1Å |
| 876 | S | 56.5 | Low | 70 | Confident | 16 Ų | 16 | 35 Ų | 35 | 11% | 0.112 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -119.7 | -20 | -163.2 | 48 | 0 | 0 | 0 | 0 | 114.3 | W774 A872 C873 L874 | W774-S876 WeakPolarHBondContact CZ3-OG 3.43Å; A872-S876 PolarHBondContact O-OG 2.68Å; C873-S876 PolarHBondContact O-OG 3.26Å; L874-S876 VanDerWaalsContact C-N 3.35Å |
| 877 | T | 51.5 | Low | 68.7 | Low | 33 Ų | 33 | 39 Ų | 39 | 20% | 0.202 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -138.5 | 149.7 | -178.6 | 59.1 | 0 | 0 | 0 | 0 | 109.6 | W774 C873 S879 | W774-T877 HydrophobicContact CB-CG2 3.72Å; W774-T877 HydrophobicContact CE3-CG2 4.28Å; C873-T877 PolarHBondContact O-OG1 2.92Å; T877-S879 PolarHBondContact O-N 3.38Å; T877-S879 PolarHBondContact OG1-O 3.41Å |
| 878 | H | 50.6 | Low | 66.9 | Low | 209 Ų | 209 | 41 Ų | 41 | 97% | 0.968 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -64.1 | 5.3 | 168.7 | -72.4 | -70 | 0 | 0 | 0 | 113 | ||
| 879 | S | 53.3 | Low | 65.1 | Low | 40 Ų | 40 | 45 Ų | 45 | 28% | 0.28 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -112.6 | 128.6 | -172.5 | -64 | 0 | 0 | 0 | 0 | 110.9 | T877 E883 | T877-S879 PolarHBondContact O-N 3.38Å; T877-S879 PolarHBondContact OG1-O 3.41Å; S879-E883 WeakPolarHBondContact CA-OE2 3.27Å; S879-E883 WeakPolarHBondContact CB-OE2 3.49Å; S879-E883 PolarHBondContact OG-OE2 3.35Å |
| 880 | N | 63.2 | Low | 62.8 | Low | 67 Ų | 67 | 49.7 Ų | 49.7 | 36% | 0.358 | 27% | 0.27 | S | S | . | . | trans | -75.9 | 165.7 | 175.5 | 58.7 | 39.1 | 0 | 0 | 0 | 110.9 | L874 Y882 E883 I884 | L874-N880 HydrophobicContact CD2-CB 4.25Å; N880-Y882 PolarHBondContact O-N 3.5Å; N880-Y882 VanDerWaalsContact OD1-CB 3.24Å; N880-Y882 WeakPolarHBondContact OD1-CB 3.47Å; N880-Y882 PolarHBondContact OD1-N 2.79Å; N880-E883 WeakPolarHBondContact O-CB 3.43Å; N880-E883 PolarHBondContact O-N 2.8Å; N880-E883 PolarHBondContact OD1-N 2.91Å; N880-I884 PolarHBondContact O-N 3.31Å | ||
| 881 | L | 66.8 | Low | 60.7 | Low | 9 Ų | 9 | 57.4 Ų | 57.4 | 5% | 0.047 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -53.3 | -29.8 | 178.3 | -179.8 | 62.6 | 0 | 0 | 0 | 112.9 | W866 I869 Q870 C873 I884 L885 V918 | W866-L881 HydrophobicContact CH2-CD2 4.01Å; W866-L881 HydrophobicContact CZ2-CD2 3.59Å; I869-L881 HydrophobicContact CG2-CD1 3.66Å; I869-L881 HydrophobicContact CG2-CD2 3.86Å; I869-L881 HydrophobicContact CG2-CG 4.4Å; Q870-L881 HydrophobicContact CG-CD2 3.83Å; C873-L881 HydrophobicContact CB-CB 4.42Å; L881-I884 PolarHBondContact O-N 2.88Å; L881-L885 HydrophobicContact CD1-CD1 3.91Å; L881-L885 HydrophobicContact CD1-CG 4.01Å; L881-L885 HydrophobicContact CD2-CD1 4.39Å; L881-L885 HydrophobicContact CG-CD1 3.86Å; L881-L885 HydrophobicContact CG-CG 4.31Å; L881-L885 WeakPolarHBondContact O-CB 3.31Å; L881-L885 WeakPolarHBondContact O-CG 3.32Å; L881-L885 PolarHBondContact O-N 2.78Å; L881-V918 HydrophobicContact CD2-CG2 4.42Å; L881-V918 HydrophobicContact CG-CG2 4.37Å |
| 882 | Y | 64.7 | Low | 58.7 | Low | 83 Ų | 83 | 60.3 Ų | 60.3 | 33% | 0.325 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.3 | -49.8 | 175.5 | 170.5 | -92.7 | 0 | 0 | 0 | 110.5 | N880 I884 L885 S886 T915 V918 L919 | N880-Y882 PolarHBondContact O-N 3.5Å; N880-Y882 VanDerWaalsContact OD1-CB 3.24Å; N880-Y882 WeakPolarHBondContact OD1-CB 3.47Å; N880-Y882 PolarHBondContact OD1-N 2.79Å; Y882-I884 VanDerWaalsContact C-N 3.35Å; Y882-I884 PolarHBondContact O-N 3.31Å; Y882-L885 PolarHBondContact O-N 2.68Å; Y882-S886 WeakPolarHBondContact O-CA 3.07Å; Y882-S886 WeakPolarHBondContact O-CB 3.42Å; Y882-S886 PolarHBondContact O-N 2.77Å; Y882-S886 PolarHBondContact O-OG 3.38Å; Y882-T915 HydrophobicContact CD2-CG2 3.59Å; Y882-T915 WeakPolarHBondContact CD2-O 3.17Å; Y882-T915 HydrophobicContact CE2-CG2 3.41Å; Y882-T915 VanDerWaalsContact CE2-CG2 3.41Å; Y882-T915 HydrophobicContact CG-CG2 4.4Å; Y882-V918 HydrophobicContact CD2-CB 4.4Å; Y882-L919 HydrophobicContact CD2-CD1 3.74Å; Y882-L919 HydrophobicContact CD2-CD2 3.71Å; Y882-L919 HydrophobicContact CD2-CG 3.46Å; Y882-L919 VanDerWaalsContact CD2-CG 3.46Å; Y882-L919 HydrophobicContact CE2-CD1 3.2Å; Y882-L919 HydrophobicContact CE2-CD2 4.04Å; Y882-L919 HydrophobicContact CE2-CG 3.52Å; Y882-L919 HydrophobicContact CG-CD2 4.08Å; Y882-L919 HydrophobicContact CG-CG 4.33Å |
| 883 | E | 65.4 | Low | 56.7 | Low | 78 Ų | 78 | 63.3 Ų | 63.3 | 36% | 0.364 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -55.4 | -49.9 | 176.3 | -77.8 | 174.4 | -150.2 | 0 | 0 | 111.1 | S879 N880 L885 S886 I887 | S879-E883 WeakPolarHBondContact CA-OE2 3.27Å; S879-E883 WeakPolarHBondContact CB-OE2 3.49Å; S879-E883 PolarHBondContact OG-OE2 3.35Å; N880-E883 WeakPolarHBondContact O-CB 3.43Å; N880-E883 PolarHBondContact O-N 2.8Å; N880-E883 PolarHBondContact OD1-N 2.91Å; E883-L885 VanDerWaalsContact C-N 3.35Å; E883-L885 PolarHBondContact O-N 3.07Å; E883-S886 VanDerWaalsContact CA-OG 3.25Å; E883-S886 WeakPolarHBondContact CA-OG 3.25Å; E883-S886 PolarHBondContact O-N 2.89Å; E883-S886 VanDerWaalsContact O-N 3.17Å; E883-S886 PolarHBondContact O-OG 2.97Å; E883-I887 VanDerWaalsContact O-CG1 3.32Å; E883-I887 WeakPolarHBondContact O-CG1 3.26Å; E883-I887 PolarHBondContact O-N 3.28Å |
| 884 | I | 67.6 | Low | 54.6 | Low | 8 Ų | 8 | 71 Ų | 71 | 4% | 0.041 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -55.9 | -47.8 | 178.4 | -64 | 172.3 | 0 | 0 | 0 | 111.4 | L776 F841 C873 N880 L881 Y882 | L776-I884 HydrophobicContact CD1-CD1 4.36Å; L776-I884 HydrophobicContact CD1-CG1 4.32Å; L776-I884 HydrophobicContact CD1-CG2 3.61Å; F841-I884 WeakPolarHBondContact CE2-O 3.29Å; C873-I884 HydrophobicContact CB-CD1 3.8Å; N880-I884 PolarHBondContact O-N 3.31Å; L881-I884 PolarHBondContact O-N 2.88Å; Y882-I884 VanDerWaalsContact C-N 3.35Å; Y882-I884 PolarHBondContact O-N 3.31Å |
| 885 | L | 68.7 | Low | 52.8 | Low | 2 Ų | 2 | 74.7 Ų | 74.7 | 1% | 0.01 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -78.5 | -21.8 | -177.7 | -64.7 | 177.9 | 0 | 0 | 0 | 113.5 | A848 W866 L881 Y882 E883 V918 | A848-L885 HydrophobicContact CB-CD1 4.45Å; A848-L885 HydrophobicContact CB-CD2 4.46Å; W866-L885 HydrophobicContact CH2-CD1 4.23Å; L881-L885 HydrophobicContact CD1-CD1 3.91Å; L881-L885 HydrophobicContact CD1-CG 4.01Å; L881-L885 HydrophobicContact CD2-CD1 4.39Å; L881-L885 HydrophobicContact CG-CD1 3.86Å; L881-L885 HydrophobicContact CG-CG 4.31Å; L881-L885 WeakPolarHBondContact O-CB 3.31Å; L881-L885 WeakPolarHBondContact O-CG 3.32Å; L881-L885 PolarHBondContact O-N 2.78Å; Y882-L885 PolarHBondContact O-N 2.68Å; E883-L885 VanDerWaalsContact C-N 3.35Å; E883-L885 PolarHBondContact O-N 3.07Å; L885-V918 HydrophobicContact CD1-CG2 3.73Å |
| 886 | S | 63.2 | Low | 51.1 | Low | 33 Ų | 33 | 77.5 Ų | 77.5 | 23% | 0.231 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -79.8 | -16.8 | -178.2 | 67.8 | 0 | 0 | 0 | 0 | 114 | Y882 E883 H888 | Y882-S886 WeakPolarHBondContact O-CA 3.07Å; Y882-S886 WeakPolarHBondContact O-CB 3.42Å; Y882-S886 PolarHBondContact O-N 2.77Å; Y882-S886 PolarHBondContact O-OG 3.38Å; E883-S886 VanDerWaalsContact CA-OG 3.25Å; E883-S886 WeakPolarHBondContact CA-OG 3.25Å; E883-S886 PolarHBondContact O-N 2.89Å; E883-S886 VanDerWaalsContact O-N 3.17Å; E883-S886 PolarHBondContact O-OG 2.97Å; S886-H888 PolarHBondContact O-N 3.09Å |
| 887 | I | 59.2 | Low | 49.8 | Very low | 87 Ų | 87 | 84.2 Ų | 84.2 | 45% | 0.446 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -17.4 | -179.3 | -71.2 | 161 | 0 | 0 | 0 | 112.1 | E883 | E883-I887 VanDerWaalsContact O-CG1 3.32Å; E883-I887 WeakPolarHBondContact O-CG1 3.26Å; E883-I887 PolarHBondContact O-N 3.28Å |
| 888 | H | 48.8 | Very low | 49 | Very low | 44 Ų | 44 | 89.4 Ų | 89.4 | 20% | 0.204 | 47% | 0.469 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -145.7 | 26.1 | -175.2 | -98.9 | -72.5 | 0 | 0 | 0 | 118.9 | C778 S886 S890 R891 | C778-H888 VanDerWaalsContact SG-CD2 3.55Å; S886-H888 PolarHBondContact O-N 3.09Å; H888-S890 PolarHBondContact O-N 3.25Å; H888-R891 WeakPolarHBondContact CE1-CB 3.04Å; H888-R891 PolarHBondContact CE1-O 3.06Å; H888-R891 WeakPolarHBondContact ND1-CB 3.19Å; H888-R891 PolarHBondContact ND1-O 2.93Å |
| 889 | S | 48.7 | Very low | 48.1 | Very low | 84 Ų | 84 | 90.1 Ų | 90.1 | 59% | 0.587 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -66.5 | -13.1 | 165.7 | 61.2 | 0 | 0 | 0 | 0 | 113.2 | ||
| 890 | S | 35.9 | Very low | 47.3 | Very low | 102 Ų | 102 | 95.2 Ų | 95.2 | 71% | 0.713 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -128.4 | 5.6 | -167.8 | 47.1 | 0 | 0 | 0 | 0 | 116.8 | H888 | H888-S890 PolarHBondContact O-N 3.25Š|
| 891 | R | 36.8 | Very low | 46.1 | Very low | 181 Ų | 181 | 102.2 Ų | 102.2 | 68% | 0.683 | 51% | 0.514 | S | S | * | . | trans | -125.3 | 102.3 | 179.1 | -83.9 | 179.3 | -176.7 | -176.2 | 1.4 | 112.1 | H888 | H888-R891 WeakPolarHBondContact CE1-CB 3.04Å; H888-R891 PolarHBondContact CE1-O 3.06Å; H888-R891 WeakPolarHBondContact ND1-CB 3.19Å; H888-R891 PolarHBondContact ND1-O 2.93Å | ||
| 892 | T | 39.7 | Very low | 44.7 | Very low | 88 Ų | 88 | 107.6 Ų | 107.6 | 54% | 0.54 | 54% | 0.543 | S | S | . | . | trans | -58.4 | 131 | 155.4 | -18.6 | 0 | 0 | 0 | 0 | 107.3 | M894 Y905 | T892-M894 PolarHBondContact O-N 3.04Å; T892-Y905 HydrophobicContact CG2-CD1 3.91Å; T892-Y905 HydrophobicContact CG2-CE1 4.37Å | ||
| 893 | L | 39.5 | Very low | 43.5 | Very low | 63 Ų | 63 | 108.6 Ų | 108.6 | 33% | 0.33 | 55% | 0.554 | S | S | . | * | trans | -63.1 | 81.4 | 166 | -94.9 | 153.6 | 0 | 0 | 0 | 108.2 | Y906 | L893-Y906 HydrophobicContact CD1-CD2 4.05Å; L893-Y906 HydrophobicContact CD1-CE2 3.89Å | ||
| 894 | M | 30.1 | Very low | 42.5 | Very low | 162 Ų | 162 | 108.2 Ų | 108.2 | 80% | 0.798 | 55% | 0.55 | S | S | * | . | trans | -89 | 98.5 | 159.8 | -82.6 | -153.7 | 158.3 | 0 | 0 | 106.5 | T892 | T892-M894 PolarHBondContact O-N 3.04Š| ||
| 895 | N | 33.9 | Very low | 41.4 | Very low | 147 Ų | 147 | 111.5 Ų | 111.5 | 79% | 0.786 | 56% | 0.562 | S | S | * | * | trans | -103.4 | 104.7 | 153.5 | -119.3 | -7.9 | 0 | 0 | 0 | 107.8 | ||||
| 896 | S | 29.1 | Very low | 40.4 | Very low | 92 Ų | 92 | 114.1 Ų | 114.1 | 64% | 0.643 | 57% | 0.572 | S | S | * | * | trans | -46.4 | 136.2 | 159.7 | 45.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 897 | N | 29.5 | Very low | 39.4 | Very low | 156 Ų | 156 | 119.6 Ų | 119.6 | 83% | 0.834 | 59% | 0.589 | S | S | * | * | S | Bend | trans | 84.1 | 72.3 | 172.3 | -53 | -23.8 | 0 | 0 | 0 | 116.9 | ||
| 898 | E | 34.5 | Very low | 38.7 | Very low | 143 Ų | 143 | 120.6 Ų | 120.6 | 67% | 0.668 | 60% | 0.604 | S | S | * | * | 173.7 | 128.8 | 123.1 | -97.6 | -174.8 | -174.1 | 0 | 0 | 109.9 | K900 | E898-K900 VanDerWaalsContact C-N 3.25Å; E898-K900 PolarHBondContact O-N 2.83Å; E898-K900 IonicContact OE2-NZ 2.79Å; E898-K900 PolarHBondContact OE2-NZ 3.13Å | |||
| 899 | K | 31.6 | Very low | 38.6 | Very low | 224 Ų | 224 | 123.9 Ų | 123.9 | 97% | 0.974 | 62% | 0.619 | S | S | * | * | trans | -64 | 83.3 | 165.9 | -79.6 | 177.8 | 173.2 | 175 | 0 | 109.7 | ||||
| 900 | K | 36.4 | Very low | 38.8 | Very low | 146 Ų | 146 | 120.9 Ų | 120.9 | 64% | 0.635 | 60% | 0.595 | S | S | * | * | trans | -132.7 | 101.8 | 166.7 | -84.3 | -178.3 | -175.4 | 139.1 | 0 | 110.8 | E898 N902 | E898-K900 VanDerWaalsContact C-N 3.25Å; E898-K900 PolarHBondContact O-N 2.83Å; E898-K900 IonicContact OE2-NZ 2.79Å; E898-K900 PolarHBondContact OE2-NZ 3.13Å; K900-N902 PolarHBondContact O-N 3.08Å | ||
| 901 | K | 37.7 | Very low | 39.7 | Very low | 214 Ų | 214 | 119 Ų | 119 | 93% | 0.93 | 58% | 0.58 | S | S | * | * | S | Bend | trans | 4.4 | 4.4 | 158 | -101.1 | 179.5 | 177.5 | 179.1 | 0 | 124.6 | ||
| 902 | N | 37.8 | Very low | 40.7 | Very low | 123 Ų | 123 | 111.3 Ų | 111.3 | 66% | 0.658 | 55% | 0.551 | S | S | * | * | trans | -137.1 | 60.7 | 179 | -79.8 | -16.7 | 0 | 0 | 0 | 111.2 | K900 Y904 | K900-N902 PolarHBondContact O-N 3.08Å; N902-Y904 HydrophobicContact CB-CE2 4.21Å; N902-Y904 VanDerWaalsContact O-CD2 3.27Å; N902-Y904 WeakPolarHBondContact O-CD2 3.26Å; N902-Y904 PolarHBondContact O-N 3.18Å; N902-Y904 VanDerWaalsContact O-N 3.17Å | ||
| 903 | D | 38.4 | Very low | 41.7 | Very low | 104 Ų | 104 | 110.5 Ų | 110.5 | 56% | 0.556 | 54% | 0.544 | S | S | * | . | trans | -72.9 | 108.9 | 171.3 | -73.2 | -14.3 | 0 | 0 | 0 | 109.8 | Y905 | D903-Y905 VanDerWaalsContact C-N 3.26Å; D903-Y905 HydrophobicContact CB-CD2 3.53Å; D903-Y905 HydrophobicContact CB-CE2 3.11Å; D903-Y905 HydrophobicContact CB-CG 4.49Å; D903-Y905 PolarHBondContact O-N 3.49Å; D903-Y905 VanDerWaalsContact OD2-CE2 3.31Å; D903-Y905 WeakPolarHBondContact OD2-CE2 3.05Å; D903-Y905 PolarHBondContact OD2-OH 3.12Å | ||
| 904 | Y | 45.4 | Very low | 42.7 | Very low | 70 Ų | 70 | 107.6 Ų | 107.6 | 28% | 0.275 | 53% | 0.528 | S | S | . | . | trans | -78.2 | 75.2 | 170.8 | -68 | -93.1 | 0 | 0 | 0 | 109.5 | P789 F792 N902 Y906 | P789-Y904 PolarHBondContact O-OH 2.92Å; F792-Y904 HydrophobicContact CB-CD1 4.08Å; F792-Y904 HydrophobicContact CB-CE1 4.29Å; F792-Y904 AromaticContact CD1-CD1 3.67Å; F792-Y904 HydrophobicContact CD1-CD1 3.67Å; F792-Y904 HydrophobicContact CE1-CD1 4.41Å; F792-Y904 HydrophobicContact CG-CD1 4.15Å; N902-Y904 HydrophobicContact CB-CE2 4.21Å; N902-Y904 VanDerWaalsContact O-CD2 3.27Å; N902-Y904 WeakPolarHBondContact O-CD2 3.26Å; N902-Y904 PolarHBondContact O-N 3.18Å; N902-Y904 VanDerWaalsContact O-N 3.17Å; Y904-Y906 PolarHBondContact O-N 2.78Å | ||
| 905 | Y | 44.2 | Very low | 43.9 | Very low | 77 Ų | 77 | 100 Ų | 100 | 30% | 0.302 | 49% | 0.492 | S | S | . | . | trans | -71.5 | 121.3 | 171.9 | -69.1 | -78.6 | 0 | 0 | 0 | 110 | Q796 T892 D903 Y907 | Q796-Y905 PolarHBondContact NE2-O 3.47Å; T892-Y905 HydrophobicContact CG2-CD1 3.91Å; T892-Y905 HydrophobicContact CG2-CE1 4.37Å; D903-Y905 VanDerWaalsContact C-N 3.26Å; D903-Y905 HydrophobicContact CB-CD2 3.53Å; D903-Y905 HydrophobicContact CB-CE2 3.11Å; D903-Y905 HydrophobicContact CB-CG 4.49Å; D903-Y905 PolarHBondContact O-N 3.49Å; D903-Y905 VanDerWaalsContact OD2-CE2 3.31Å; D903-Y905 WeakPolarHBondContact OD2-CE2 3.05Å; D903-Y905 PolarHBondContact OD2-OH 3.12Å; Y905-Y907 HydrophobicContact CD1-CE2 4.34Å; Y905-Y907 HydrophobicContact CD2-CE2 4Å; Y905-Y907 HydrophobicContact CG-CD2 4.16Å; Y905-Y907 AromaticContact CG-CE2 3.66Å; Y905-Y907 HydrophobicContact CG-CE2 3.66Å; Y905-Y907 PolarHBondContact O-N 3.26Å | ||
| 906 | Y | 47.3 | Very low | 45.2 | Very low | 57 Ų | 57 | 97.3 Ų | 97.3 | 22% | 0.224 | 47% | 0.473 | C | S | . | . | trans | -67.4 | 77 | 159.2 | -78.1 | -92 | 0 | 0 | 0 | 108.9 | F792 L842 L893 Y904 S908 | F792-Y906 HydrophobicContact CD2-CE1 4.5Å; F792-Y906 AromaticContact CE2-CD1 3.64Å; F792-Y906 HydrophobicContact CE2-CD1 3.64Å; F792-Y906 HydrophobicContact CE2-CD2 4.42Å; F792-Y906 AromaticContact CE2-CE1 3.49Å; F792-Y906 HydrophobicContact CE2-CE1 3.49Å; F792-Y906 VanDerWaalsContact CE2-CE1 3.49Å; F792-Y906 HydrophobicContact CE2-CE2 4.3Å; F792-Y906 HydrophobicContact CE2-CG 4.13Å; F792-Y906 AromaticContact CE2-CZ 3.86Å; F792-Y906 AromaticContact CZ-CD1 3.8Å; F792-Y906 HydrophobicContact CZ-CD1 3.8Å; F792-Y906 HydrophobicContact CZ-CD2 4.2Å; F792-Y906 HydrophobicContact CZ-CE1 4.1Å; F792-Y906 HydrophobicContact CZ-CE2 4.47Å; F792-Y906 AromaticContact CZ-CG 3.87Å; F792-Y906 HydrophobicContact CZ-CG 3.87Å; L842-Y906 HydrophobicContact CD2-CE1 3.89Å; L842-Y906 WeakPolarHBondContact CD2-OH 3.48Å; L893-Y906 HydrophobicContact CD1-CD2 4.05Å; L893-Y906 HydrophobicContact CD1-CE2 3.89Å; Y904-Y906 PolarHBondContact O-N 2.78Å; Y906-S908 PolarHBondContact O-N 3.31Å | ||
| 907 | Y | 43.6 | Very low | 46.6 | Very low | 147 Ų | 147 | 93.7 Ų | 93.7 | 58% | 0.576 | 45% | 0.445 | S | S | * | . | trans | -76.1 | 107.9 | 167 | -88.6 | -73.3 | 0 | 0 | 0 | 108 | Y905 H909 | Y905-Y907 HydrophobicContact CD1-CE2 4.34Å; Y905-Y907 HydrophobicContact CD2-CE2 4Å; Y905-Y907 HydrophobicContact CG-CD2 4.16Å; Y905-Y907 AromaticContact CG-CE2 3.66Å; Y905-Y907 HydrophobicContact CG-CE2 3.66Å; Y905-Y907 PolarHBondContact O-N 3.26Å; Y907-H909 WeakPolarHBondContact CB-ND1 2.96Å; Y907-H909 AromaticContact CD1-CE1 3.8Å; Y907-H909 AromaticContact CG-CE1 3.9Å; Y907-H909 PolarHBondContact O-N 3.36Å | ||
| 908 | S | 44.6 | Very low | 47.9 | Very low | 109 Ų | 109 | 87 Ų | 87 | 76% | 0.762 | 41% | 0.41 | S | S | * | . | trans | -66.3 | 76.8 | 169.5 | 62.6 | 0 | 0 | 0 | 0 | 109.5 | Y906 W910 | Y906-S908 PolarHBondContact O-N 3.31Å; S908-W910 PolarHBondContact O-N 2.84Å | ||
| 909 | H | 45.9 | Very low | 48.6 | Very low | 112 Ų | 112 | 84.5 Ų | 84.5 | 52% | 0.519 | 40% | 0.4 | S | S | . | . | trans | -81.6 | 24.2 | 170.7 | -78.7 | 39.8 | 0 | 0 | 0 | 111.8 | N803 Y907 | N803-H909 PolarHBondContact ND2-O 3.1Å; Y907-H909 WeakPolarHBondContact CB-ND1 2.96Å; Y907-H909 AromaticContact CD1-CE1 3.8Å; Y907-H909 AromaticContact CG-CE1 3.9Å; Y907-H909 PolarHBondContact O-N 3.36Å | ||
| 910 | W | 53.4 | Low | 49.6 | Very low | 21 Ų | 21 | 79.7 Ų | 79.7 | 8% | 0.08 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -106.6 | 128.3 | 174.6 | -118.8 | 38.9 | 0 | 0 | 0 | 110.3 | I799 N803 D849 V852 M853 S908 Y912 L914 | I799-W910 HydrophobicContact CG2-CG 4.2Å; N803-W910 PolarHBondContact OD1-NE1 3.26Å; N803-W910 VanDerWaalsContact OD1-NE1 3.17Å; D849-W910 HydrophobicContact CB-CH2 3.68Å; D849-W910 HydrophobicContact CB-CZ2 3.97Å; D849-W910 HydrophobicContact CB-CZ3 4.27Å; D849-W910 WeakPolarHBondContact O-CH2 3.49Å; D849-W910 WeakPolarHBondContact OD1-CH2 2.98Å; D849-W910 WeakPolarHBondContact OD1-CZ3 3.37Å; V852-W910 HydrophobicContact CB-CH2 3.82Å; V852-W910 HydrophobicContact CB-CZ3 4.15Å; V852-W910 HydrophobicContact CG1-CH2 4.06Å; V852-W910 HydrophobicContact CG1-CZ3 4.11Å; M853-W910 HydrophobicContact CB-CZ2 4.4Å; M853-W910 HydrophobicContact CE-CZ2 3.9Å; M853-W910 HydrophobicContact CG-CH2 4.09Å; M853-W910 HydrophobicContact CG-CZ2 3.27Å; M853-W910 HydrophobicContact SD-CZ2 3.57Å; M853-W910 VanDerWaalsContact SD-CZ2 3.57Å; S908-W910 PolarHBondContact O-N 2.84Å; W910-Y912 HydrophobicContact CD2-CD1 4.22Å; W910-Y912 AromaticContact CD2-CD2 3.62Å; W910-Y912 HydrophobicContact CD2-CD2 3.62Å; W910-Y912 AromaticContact CD2-CE1 3.7Å; W910-Y912 HydrophobicContact CD2-CE1 3.7Å; W910-Y912 AromaticContact CD2-CE2 3.21Å; W910-Y912 HydrophobicContact CD2-CE2 3.21Å; W910-Y912 HydrophobicContact CD2-CG 4.16Å; W910-Y912 AromaticContact CD2-CZ 3.16Å; W910-Y912 AromaticContact CE2-CE1 3.95Å; W910-Y912 AromaticContact CE2-CE2 3.47Å; W910-Y912 VanDerWaalsContact CE2-CE2 3.47Å; W910-Y912 AromaticContact CE2-CZ 3.14Å; W910-Y912 HydrophobicContact CE3-CD1 4.36Å; W910-Y912 AromaticContact CE3-CD2 3Å; W910-Y912 HydrophobicContact CE3-CD2 3Å; W910-Y912 HydrophobicContact CE3-CE1 4.16Å; W910-Y912 AromaticContact CE3-CE2 2.9Å; W910-Y912 HydrophobicContact CE3-CE2 2.9Å; W910-Y912 AromaticContact CE3-CG 3.84Å; W910-Y912 HydrophobicContact CE3-CG 3.84Å; W910-Y912 AromaticContact CE3-CZ 3.45Å; W910-Y912 VanDerWaalsContact CE3-CZ 3.45Å; W910-Y912 HydrophobicContact CG-CD1 4.37Å; W910-Y912 HydrophobicContact CG-CD2 4.46Å; W910-Y912 AromaticContact CG-CE1 3.94Å; W910-Y912 HydrophobicContact CG-CE1 3.94Å; W910-Y912 HydrophobicContact CG-CE2 4.24Å; W910-Y912 AromaticContact CG-CZ 3.87Å; W910-Y912 HydrophobicContact CH2-CD2 4.02Å; W910-Y912 AromaticContact CH2-CE2 3.14Å; W910-Y912 HydrophobicContact CH2-CE2 3.14Å; W910-Y912 AromaticContact CH2-CZ 3.65Å; W910-Y912 AromaticContact CZ2-CE2 3.52Å; W910-Y912 HydrophobicContact CZ2-CE2 3.52Å; W910-Y912 AromaticContact CZ2-CZ 3.49Å; W910-Y912 VanDerWaalsContact CZ2-CZ 3.49Å; W910-Y912 WeakPolarHBondContact CZ2-OH 3.5Å; W910-Y912 AromaticContact CZ3-CD2 3.22Å; W910-Y912 HydrophobicContact CZ3-CD2 3.22Å; W910-Y912 AromaticContact CZ3-CE2 2.82Å; W910-Y912 HydrophobicContact CZ3-CE2 2.82Å; W910-Y912 HydrophobicContact CZ3-CG 4.41Å; W910-Y912 AromaticContact CZ3-CZ 3.66Å; W910-Y912 AromaticContact NE1-CZ 3.65Å; W910-Y912 PolarHBondContact NE1-OH 3.36Å; W910-Y912 PolarHBondContact O-N 3.01Å; W910-L914 HydrophobicContact CE3-CG 4.34Å; W910-L914 HydrophobicContact CZ3-CD1 4.24Å; W910-L914 HydrophobicContact CZ3-CD2 3.85Å; W910-L914 HydrophobicContact CZ3-CG 3.84Å |
| 911 | P | 54.5 | Low | 50.4 | Low | 64 Ų | 64 | 76 Ų | 76 | 42% | 0.416 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -68.7 | 1.6 | -179 | 17.7 | -20.5 | 0 | 0 | 0 | 113.5 | N803 | N803-P911 VanDerWaalsContact ND2-CD 3.25Å; N803-P911 WeakPolarHBondContact ND2-CD 3.39Å |
| 912 | Y | 56.9 | Low | 51.2 | Low | 18 Ų | 18 | 67 Ų | 67 | 7% | 0.071 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -132.1 | 134.4 | -172 | 39 | -78 | 0 | 0 | 0 | 113.4 | Y86 V852 W910 L914 Y917 | Y86-Y912 HydrophobicContact CE2-CE1 4.39Å; V852-Y912 HydrophobicContact CB-CE2 4.43Å; V852-Y912 HydrophobicContact CG1-CD2 3.98Å; V852-Y912 HydrophobicContact CG1-CE2 3.49Å; V852-Y912 VanDerWaalsContact CG1-CE2 3.49Å; W910-Y912 HydrophobicContact CD2-CD1 4.22Å; W910-Y912 AromaticContact CD2-CD2 3.62Å; W910-Y912 HydrophobicContact CD2-CD2 3.62Å; W910-Y912 AromaticContact CD2-CE1 3.7Å; W910-Y912 HydrophobicContact CD2-CE1 3.7Å; W910-Y912 AromaticContact CD2-CE2 3.21Å; W910-Y912 HydrophobicContact CD2-CE2 3.21Å; W910-Y912 HydrophobicContact CD2-CG 4.16Å; W910-Y912 AromaticContact CD2-CZ 3.16Å; W910-Y912 AromaticContact CE2-CE1 3.95Å; W910-Y912 AromaticContact CE2-CE2 3.47Å; W910-Y912 VanDerWaalsContact CE2-CE2 3.47Å; W910-Y912 AromaticContact CE2-CZ 3.14Å; W910-Y912 HydrophobicContact CE3-CD1 4.36Å; W910-Y912 AromaticContact CE3-CD2 3Å; W910-Y912 HydrophobicContact CE3-CD2 3Å; W910-Y912 HydrophobicContact CE3-CE1 4.16Å; W910-Y912 AromaticContact CE3-CE2 2.9Å; W910-Y912 HydrophobicContact CE3-CE2 2.9Å; W910-Y912 AromaticContact CE3-CG 3.84Å; W910-Y912 HydrophobicContact CE3-CG 3.84Å; W910-Y912 AromaticContact CE3-CZ 3.45Å; W910-Y912 VanDerWaalsContact CE3-CZ 3.45Å; W910-Y912 HydrophobicContact CG-CD1 4.37Å; W910-Y912 HydrophobicContact CG-CD2 4.46Å; W910-Y912 AromaticContact CG-CE1 3.94Å; W910-Y912 HydrophobicContact CG-CE1 3.94Å; W910-Y912 HydrophobicContact CG-CE2 4.24Å; W910-Y912 AromaticContact CG-CZ 3.87Å; W910-Y912 HydrophobicContact CH2-CD2 4.02Å; W910-Y912 AromaticContact CH2-CE2 3.14Å; W910-Y912 HydrophobicContact CH2-CE2 3.14Å; W910-Y912 AromaticContact CH2-CZ 3.65Å; W910-Y912 AromaticContact CZ2-CE2 3.52Å; W910-Y912 HydrophobicContact CZ2-CE2 3.52Å; W910-Y912 AromaticContact CZ2-CZ 3.49Å; W910-Y912 VanDerWaalsContact CZ2-CZ 3.49Å; W910-Y912 WeakPolarHBondContact CZ2-OH 3.5Å; W910-Y912 AromaticContact CZ3-CD2 3.22Å; W910-Y912 HydrophobicContact CZ3-CD2 3.22Å; W910-Y912 AromaticContact CZ3-CE2 2.82Å; W910-Y912 HydrophobicContact CZ3-CE2 2.82Å; W910-Y912 HydrophobicContact CZ3-CG 4.41Å; W910-Y912 AromaticContact CZ3-CZ 3.66Å; W910-Y912 AromaticContact NE1-CZ 3.65Å; W910-Y912 PolarHBondContact NE1-OH 3.36Å; W910-Y912 PolarHBondContact O-N 3.01Å; Y912-L914 PolarHBondContact O-N 2.87Å; Y912-Y917 VanDerWaalsContact CB-CE2 3.48Å; Y912-Y917 WeakPolarHBondContact CB-OH 3.49Å; Y912-Y917 AromaticContact CD2-CD2 3.93Å; Y912-Y917 HydrophobicContact CD2-CD2 3.93Å; Y912-Y917 AromaticContact CD2-CE2 3.14Å; Y912-Y917 HydrophobicContact CD2-CE2 3.14Å; Y912-Y917 AromaticContact CD2-CZ 3.86Å; Y912-Y917 AromaticContact CE2-CE2 3.89Å; Y912-Y917 HydrophobicContact CE2-CE2 3.89Å; Y912-Y917 AromaticContact CG-CE2 3.58Å; Y912-Y917 HydrophobicContact CG-CE2 3.58Å; Y912-Y917 AromaticContact CG-CZ 3.8Å; Y912-Y917 VanDerWaalsContact CG-OH 3.3Å |
| 913 | D | 60.6 | Low | 51.9 | Low | 72 Ų | 72 | 61.3 Ų | 61.3 | 39% | 0.385 | 30% | 0.299 | S | S | . | . | trans | -80.3 | 105.5 | 175.1 | 178.2 | -0 | 0 | 0 | 0 | 109 | T915 K916 Y917 | D913-T915 PolarHBondContact O-N 2.78Å; D913-T915 WeakPolarHBondContact OD1-CA 3.5Å; D913-T915 WeakPolarHBondContact OD1-CB 3.08Å; D913-T915 PolarHBondContact OD1-N 3.07Å; D913-T915 PolarHBondContact OD1-OG1 3.22Å; D913-K916 HydrophobicContact CB-CB 3.62Å; D913-K916 HydrophobicContact CB-CD 4.47Å; D913-K916 CarbonylContact O-C 3.44Å; D913-K916 WeakPolarHBondContact O-CA 3.23Å; D913-K916 VanDerWaalsContact O-CB 3.23Å; D913-K916 WeakPolarHBondContact O-CB 3.47Å; D913-K916 PolarHBondContact O-N 3.3Å; D913-K916 PolarHBondContact OD1-N 2.87Å; D913-Y917 PolarHBondContact O-N 3Å | ||
| 914 | L | 61.5 | Low | 52.4 | Low | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -55.8 | -35.6 | 177.2 | -92.5 | -174.6 | 0 | 0 | 0 | 112.5 | R845 A848 D849 V852 W866 W910 Y912 K916 Y917 V918 | R845-L914 VanDerWaalsContact NE-CD1 3.29Å; A848-L914 HydrophobicContact CB-CD1 4.33Å; D849-L914 WeakPolarHBondContact OD1-CD1 3.25Å; V852-L914 HydrophobicContact CB-CD2 4.14Å; V852-L914 HydrophobicContact CG1-CD2 4.35Å; V852-L914 HydrophobicContact CG2-CD2 3.41Å; V852-L914 VanDerWaalsContact CG2-CD2 3.41Å; W866-L914 HydrophobicContact CH2-CD2 4.42Å; W910-L914 HydrophobicContact CE3-CG 4.34Å; W910-L914 HydrophobicContact CZ3-CD1 4.24Å; W910-L914 HydrophobicContact CZ3-CD2 3.85Å; W910-L914 HydrophobicContact CZ3-CG 3.84Å; Y912-L914 PolarHBondContact O-N 2.87Å; L914-K916 VanDerWaalsContact C-N 3.31Å; L914-Y917 HydrophobicContact CD2-CD2 4.4Å; L914-Y917 PolarHBondContact O-N 3.07Å; L914-V918 VanDerWaalsContact O-CG2 3.25Å; L914-V918 WeakPolarHBondContact O-CG2 3.39Å; L914-V918 PolarHBondContact O-N 2.87Å |
| 915 | T | 55.5 | Low | 52.5 | Low | 4 Ų | 4 | 59.8 Ų | 59.8 | 3% | 0.025 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.9 | -42.9 | 176.2 | -5.7 | 0 | 0 | 0 | 0 | 110.5 | Y882 D913 V918 L919 | Y882-T915 HydrophobicContact CD2-CG2 3.59Å; Y882-T915 WeakPolarHBondContact CD2-O 3.17Å; Y882-T915 HydrophobicContact CE2-CG2 3.41Å; Y882-T915 VanDerWaalsContact CE2-CG2 3.41Å; Y882-T915 HydrophobicContact CG-CG2 4.4Å; D913-T915 PolarHBondContact O-N 2.78Å; D913-T915 WeakPolarHBondContact OD1-CA 3.5Å; D913-T915 WeakPolarHBondContact OD1-CB 3.08Å; D913-T915 PolarHBondContact OD1-N 3.07Å; D913-T915 PolarHBondContact OD1-OG1 3.22Å; T915-V918 PolarHBondContact O-N 3.07Å; T915-L919 PolarHBondContact O-N 3.11Å |
| 916 | K | 60.1 | Low | 52.4 | Low | 89 Ų | 89 | 58.5 Ų | 58.5 | 39% | 0.387 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.1 | -41.7 | 173 | -168.7 | 176.4 | 176.2 | 175.9 | 0 | 111.5 | D913 L914 V918 L919 E920 | D913-K916 HydrophobicContact CB-CB 3.62Å; D913-K916 HydrophobicContact CB-CD 4.47Å; D913-K916 CarbonylContact O-C 3.44Å; D913-K916 WeakPolarHBondContact O-CA 3.23Å; D913-K916 VanDerWaalsContact O-CB 3.23Å; D913-K916 WeakPolarHBondContact O-CB 3.47Å; D913-K916 PolarHBondContact O-N 3.3Å; D913-K916 PolarHBondContact OD1-N 2.87Å; L914-K916 VanDerWaalsContact C-N 3.31Å; K916-V918 PolarHBondContact O-N 3.21Å; K916-L919 CarbonylContact O-C 3.57Å; K916-L919 PolarHBondContact O-N 2.87Å; K916-E920 WeakPolarHBondContact CE-OE1 3.27Å; K916-E920 WeakPolarHBondContact CE-OE2 3.41Å; K916-E920 HydrophobicContact CG-CB 4.23Å; K916-E920 HydrophobicContact CG-CG 3.77Å; K916-E920 VanDerWaalsContact CG-OE1 3.32Å; K916-E920 WeakPolarHBondContact CG-OE1 3.47Å; K916-E920 WeakPolarHBondContact CG-OE2 3.41Å; K916-E920 IonicContact NZ-OE2 3.06Å; K916-E920 WeakPolarHBondContact O-CA 3.34Å; K916-E920 VanDerWaalsContact O-CB 3.24Å; K916-E920 WeakPolarHBondContact O-CB 3.46Å; K916-E920 WeakPolarHBondContact O-CG 3.34Å; K916-E920 PolarHBondContact O-N 3.41Å |
| 917 | Y | 59.9 | Low | 52.1 | Low | 17 Ų | 17 | 61.3 Ų | 61.3 | 7% | 0.067 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -68.3 | -29.7 | 176 | -73.5 | -19.4 | 0 | 0 | 0 | 115.2 | M89 S90 V852 Y912 D913 L914 L919 Q921 P922 | M89-Y917 VanDerWaalsContact CA-OH 3.3Å; M89-Y917 WeakPolarHBondContact CA-OH 3.24Å; M89-Y917 VanDerWaalsContact CB-OH 3.24Å; M89-Y917 WeakPolarHBondContact CB-OH 3.44Å; M89-Y917 HydrophobicContact CE-CE2 4.02Å; M89-Y917 VanDerWaalsContact O-CE1 3.3Å; M89-Y917 WeakPolarHBondContact O-CE1 3.36Å; M89-Y917 VanDerWaalsContact O-CZ 3.32Å; M89-Y917 PolarHBondContact O-OH 3.21Å; S90-Y917 PolarHBondContact N-OH 2.9Å; V852-Y917 HydrophobicContact CG1-CD2 3.72Å; V852-Y917 HydrophobicContact CG1-CE2 3.62Å; Y912-Y917 VanDerWaalsContact CB-CE2 3.48Å; Y912-Y917 WeakPolarHBondContact CB-OH 3.49Å; Y912-Y917 AromaticContact CD2-CD2 3.93Å; Y912-Y917 HydrophobicContact CD2-CD2 3.93Å; Y912-Y917 AromaticContact CD2-CE2 3.14Å; Y912-Y917 HydrophobicContact CD2-CE2 3.14Å; Y912-Y917 AromaticContact CD2-CZ 3.86Å; Y912-Y917 AromaticContact CE2-CE2 3.89Å; Y912-Y917 HydrophobicContact CE2-CE2 3.89Å; Y912-Y917 AromaticContact CG-CE2 3.58Å; Y912-Y917 HydrophobicContact CG-CE2 3.58Å; Y912-Y917 AromaticContact CG-CZ 3.8Å; Y912-Y917 VanDerWaalsContact CG-OH 3.3Å; D913-Y917 PolarHBondContact O-N 3Å; L914-Y917 HydrophobicContact CD2-CD2 4.4Å; L914-Y917 PolarHBondContact O-N 3.07Å; Y917-L919 PolarHBondContact O-N 3.24Å; Y917-Q921 PolarHBondContact O-N 3.42Å; Y917-P922 HydrophobicContact CD1-CG 3.66Å; Y917-P922 HydrophobicContact CD2-CG 3.98Å; Y917-P922 HydrophobicContact CE1-CG 4.22Å; Y917-P922 HydrophobicContact CE2-CG 4.43Å; Y917-P922 HydrophobicContact CG-CG 3.56Å; Y917-P922 VanDerWaalsContact O-CD 3.3Å; Y917-P922 WeakPolarHBondContact O-CD 3.45Å |
| 918 | V | 55.7 | Low | 51.9 | Low | 16 Ų | 16 | 60.8 Ų | 60.8 | 10% | 0.097 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.9 | -32.5 | 170.7 | -178.7 | 0 | 0 | 0 | 0 | 110.4 | W866 L881 Y882 L885 L914 T915 K916 | W866-V918 HydrophobicContact CH2-CG2 4.25Å; W866-V918 HydrophobicContact CZ2-CG2 3.74Å; L881-V918 HydrophobicContact CD2-CG2 4.42Å; L881-V918 HydrophobicContact CG-CG2 4.37Å; Y882-V918 HydrophobicContact CD2-CB 4.4Å; L885-V918 HydrophobicContact CD1-CG2 3.73Å; L914-V918 VanDerWaalsContact O-CG2 3.25Å; L914-V918 WeakPolarHBondContact O-CG2 3.39Å; L914-V918 PolarHBondContact O-N 2.87Å; T915-V918 PolarHBondContact O-N 3.07Å; K916-V918 PolarHBondContact O-N 3.21Å |
| 919 | L | 49.7 | Very low | 51.4 | Low | 89 Ų | 89 | 60.5 Ų | 60.5 | 47% | 0.466 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -92.5 | -42.9 | -178.1 | -64.6 | -179.5 | 0 | 0 | 0 | 114.6 | Y882 T915 K916 Y917 | Y882-L919 HydrophobicContact CD2-CD1 3.74Å; Y882-L919 HydrophobicContact CD2-CD2 3.71Å; Y882-L919 HydrophobicContact CD2-CG 3.46Å; Y882-L919 VanDerWaalsContact CD2-CG 3.46Å; Y882-L919 HydrophobicContact CE2-CD1 3.2Å; Y882-L919 HydrophobicContact CE2-CD2 4.04Å; Y882-L919 HydrophobicContact CE2-CG 3.52Å; Y882-L919 HydrophobicContact CG-CD2 4.08Å; Y882-L919 HydrophobicContact CG-CG 4.33Å; T915-L919 PolarHBondContact O-N 3.11Å; K916-L919 CarbonylContact O-C 3.57Å; K916-L919 PolarHBondContact O-N 2.87Å; Y917-L919 PolarHBondContact O-N 3.24Å |
| 920 | E | 51.8 | Low | 50.6 | Low | 124 Ų | 124 | 61.2 Ų | 61.2 | 58% | 0.579 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -100.4 | 3.3 | -167.3 | -62.5 | -169 | -169.2 | 0 | 0 | 113.9 | K916 | K916-E920 WeakPolarHBondContact CE-OE1 3.27Å; K916-E920 WeakPolarHBondContact CE-OE2 3.41Å; K916-E920 HydrophobicContact CG-CB 4.23Å; K916-E920 HydrophobicContact CG-CG 3.77Å; K916-E920 VanDerWaalsContact CG-OE1 3.32Å; K916-E920 WeakPolarHBondContact CG-OE1 3.47Å; K916-E920 WeakPolarHBondContact CG-OE2 3.41Å; K916-E920 IonicContact NZ-OE2 3.06Å; K916-E920 WeakPolarHBondContact O-CA 3.34Å; K916-E920 VanDerWaalsContact O-CB 3.24Å; K916-E920 WeakPolarHBondContact O-CB 3.46Å; K916-E920 WeakPolarHBondContact O-CG 3.34Å; K916-E920 PolarHBondContact O-N 3.41Å |
| 921 | Q | 54.8 | Low | 49.3 | Very low | 68 Ų | 68 | 68.5 Ų | 68.5 | 32% | 0.318 | 35% | 0.352 | S | S | . | . | trans | 64 | 73.6 | 157.2 | -53.1 | -171 | 31.9 | 0 | 0 | 118 | I41 Y917 | I41-Q921 WeakPolarHBondContact CG2-O 3.32Å; Y917-Q921 PolarHBondContact O-N 3.42Å | ||
| 922 | P | 52.9 | Low | 47.9 | Very low | 24 Ų | 24 | 73.3 Ų | 73.3 | 16% | 0.156 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -73.5 | -13.1 | 140.7 | 25 | -17.6 | 0 | 0 | 0 | 111.6 | M89 Y917 | M89-P922 HydrophobicContact CE-CB 4.15Å; M89-P922 HydrophobicContact CE-CG 4.37Å; M89-P922 HydrophobicContact CG-CB 4.24Å; M89-P922 HydrophobicContact SD-CB 4.46Å; Y917-P922 HydrophobicContact CD1-CG 3.66Å; Y917-P922 HydrophobicContact CD2-CG 3.98Å; Y917-P922 HydrophobicContact CE1-CG 4.22Å; Y917-P922 HydrophobicContact CE2-CG 4.43Å; Y917-P922 HydrophobicContact CG-CG 3.56Å; Y917-P922 VanDerWaalsContact O-CD 3.3Å; Y917-P922 WeakPolarHBondContact O-CD 3.45Å |
| 923 | F | 53.6 | Low | 46.6 | Very low | 4 Ų | 4 | 78.2 Ų | 78.2 | 2% | 0.018 | 41% | 0.408 | C | S | . | . | S | Bend | trans | -121.4 | 141.5 | -179 | -58 | -76.7 | 0 | 0 | 0 | 112.4 | I851 V852 T855 A862 W866 | I851-F923 HydrophobicContact CG2-CE1 4.15Å; I851-F923 HydrophobicContact CG2-CZ 4.18Å; V852-F923 HydrophobicContact CB-CE2 4.39Å; V852-F923 HydrophobicContact CB-CZ 4.37Å; V852-F923 HydrophobicContact CG1-CE2 4.46Å; V852-F923 HydrophobicContact CG2-CE2 3.6Å; V852-F923 HydrophobicContact CG2-CZ 3.87Å; T855-F923 HydrophobicContact CG2-CE1 3.95Å; T855-F923 HydrophobicContact CG2-CZ 4.15Å; T855-F923 WeakPolarHBondContact OG1-CE1 3.32Å; T855-F923 WeakPolarHBondContact OG1-CZ 3.21Å; A862-F923 HydrophobicContact CB-CE1 4.08Å; W866-F923 HydrophobicContact CB-CB 4.49Å; W866-F923 HydrophobicContact CB-CD1 3.78Å; W866-F923 HydrophobicContact CB-CE1 4.11Å; W866-F923 HydrophobicContact CB-CG 4.09Å; W866-F923 AromaticContact CD1-CG 3.59Å; W866-F923 HydrophobicContact CD2-CD1 4.42Å; W866-F923 AromaticContact CD2-CD2 3.86Å; W866-F923 HydrophobicContact CD2-CD2 3.86Å; W866-F923 HydrophobicContact CD2-CE2 4.09Å; W866-F923 HydrophobicContact CD2-CG 4.01Å; W866-F923 HydrophobicContact CD2-CZ 4.41Å; W866-F923 AromaticContact CE2-CD2 3.82Å; W866-F923 HydrophobicContact CE3-CD2 4.41Å; W866-F923 HydrophobicContact CE3-CE2 4.19Å; W866-F923 HydrophobicContact CE3-CZ 4.35Å; W866-F923 HydrophobicContact CG-CB 3.9Å; W866-F923 AromaticContact CG-CD1 3.84Å; W866-F923 HydrophobicContact CG-CD1 3.84Å; W866-F923 AromaticContact CG-CD2 4Å; W866-F923 HydrophobicContact CG-CD2 4Å; W866-F923 HydrophobicContact CG-CE1 4.32Å; W866-F923 HydrophobicContact CG-CE2 4.48Å; W866-F923 AromaticContact CG-CG 3.63Å; W866-F923 HydrophobicContact CG-CG 3.63Å; W866-F923 HydrophobicContact CZ2-CD2 4.32Å; W866-F923 AromaticContact NE1-CD2 3.91Å; W866-F923 AromaticContact NE1-CG 3.89Å |
| 924 | P | 49.6 | Very low | 45.2 | Very low | 9 Ų | 9 | 82 Ų | 82 | 6% | 0.058 | 46% | 0.464 | C | S | . | . | trans | -56.6 | 138 | 172.9 | -26.2 | 37.4 | 0 | 0 | 0 | 112.4 | W34 V37 F926 | W34-P924 HydrophobicContact CE3-CB 4Å; W34-P924 HydrophobicContact CE3-CG 3.51Å; W34-P924 HydrophobicContact CH2-CB 4.15Å; W34-P924 HydrophobicContact CH2-CG 4.31Å; W34-P924 HydrophobicContact CZ3-CB 3.34Å; W34-P924 HydrophobicContact CZ3-CG 3.38Å; V37-P924 HydrophobicContact CB-CB 4.49Å; V37-P924 HydrophobicContact CB-CG 3.95Å; V37-P924 HydrophobicContact CG1-CB 3.77Å; V37-P924 HydrophobicContact CG1-CG 3.51Å; P924-F926 PolarHBondContact O-N 2.93Å | ||
| 925 | K | 46.7 | Very low | 44.4 | Very low | 133 Ų | 133 | 86.1 Ų | 86.1 | 58% | 0.578 | 49% | 0.487 | S | S | * | . | trans | -63.5 | 130.9 | 167.4 | -86 | -176.1 | 175.2 | 179.7 | 0 | 110.1 | V927 | K925-V927 PolarHBondContact O-N 3.48Å; K925-V927 VanDerWaalsContact O-N 3.09Å | ||
| 926 | F | 42.7 | Very low | 43.8 | Very low | 51 Ų | 51 | 90.4 Ų | 90.4 | 22% | 0.224 | 51% | 0.511 | C | S | . | . | trans | -61.1 | 110.5 | 162.6 | -170.1 | -96.2 | 0 | 0 | 0 | 109.3 | S867 Q870 F871 L874 P924 Y928 | S867-F926 WeakPolarHBondContact OG-CD2 3.45Å; Q870-F926 HydrophobicContact CB-CB 4.2Å; F871-F926 HydrophobicContact CB-CE2 4.28Å; F871-F926 HydrophobicContact CB-CZ 4.44Å; F871-F926 HydrophobicContact CD2-CE1 4.24Å; F871-F926 HydrophobicContact CD2-CE2 4.24Å; F871-F926 AromaticContact CD2-CZ 3.66Å; F871-F926 HydrophobicContact CD2-CZ 3.66Å; F871-F926 HydrophobicContact CE2-CZ 4.47Å; F871-F926 HydrophobicContact CG-CZ 4.49Å; L874-F926 HydrophobicContact CD1-CD1 3.85Å; L874-F926 HydrophobicContact CD1-CG 4.5Å; P924-F926 PolarHBondContact O-N 2.93Å; F926-Y928 HydrophobicContact CD1-CD2 4.22Å; F926-Y928 AromaticContact CE1-CD2 3.82Å; F926-Y928 HydrophobicContact CE1-CD2 3.82Å; F926-Y928 AromaticContact CE1-CE2 4Å; F926-Y928 HydrophobicContact CE1-CE2 4Å; F926-Y928 HydrophobicContact CE1-CG 4.47Å | ||
| 927 | V | 40.4 | Very low | 42.9 | Very low | 115 Ų | 115 | 90.5 Ų | 90.5 | 70% | 0.697 | 52% | 0.518 | S | S | * | . | trans | -95.2 | 115.4 | 173.1 | -176 | 0 | 0 | 0 | 0 | 107.5 | K925 S929 | K925-V927 PolarHBondContact O-N 3.48Å; K925-V927 VanDerWaalsContact O-N 3.09Å; V927-S929 PolarHBondContact O-N 2.81Å | ||
| 928 | Y | 38.8 | Very low | 41.9 | Very low | 136 Ų | 136 | 94.8 Ų | 94.8 | 53% | 0.533 | 55% | 0.545 | S | S | . | . | trans | -60.6 | 105.8 | 159.8 | -107.5 | -90.3 | 0 | 0 | 0 | 106.4 | F926 T930 | F926-Y928 HydrophobicContact CD1-CD2 4.22Å; F926-Y928 AromaticContact CE1-CD2 3.82Å; F926-Y928 HydrophobicContact CE1-CD2 3.82Å; F926-Y928 AromaticContact CE1-CE2 4Å; F926-Y928 HydrophobicContact CE1-CE2 4Å; F926-Y928 HydrophobicContact CE1-CG 4.47Å; Y928-T930 VanDerWaalsContact C-N 3.33Å; Y928-T930 PolarHBondContact O-N 3.19Å | ||
| 929 | S | 34 | Very low | 41 | Very low | 103 Ų | 103 | 99.8 Ų | 99.8 | 72% | 0.72 | 57% | 0.573 | S | S | * | * | trans | -67.9 | 94.5 | 178.4 | 67.7 | 0 | 0 | 0 | 0 | 109.2 | V927 | V927-S929 PolarHBondContact O-N 2.81Š| ||
| 930 | T | 30 | Very low | 40.5 | Very low | 127 Ų | 127 | 100.5 Ų | 100.5 | 78% | 0.779 | 58% | 0.58 | S | S | * | * | trans | -93.7 | -0.2 | 163.2 | 44.5 | 0 | 0 | 0 | 0 | 112.5 | Y928 | Y928-T930 VanDerWaalsContact C-N 3.33Å; Y928-T930 PolarHBondContact O-N 3.19Å | ||
| 931 | E | 25.3 | Very low | 39.6 | Very low | 174 Ų | 174 | 98.8 Ų | 98.8 | 81% | 0.813 | 58% | 0.58 | S | S | * | * | trans | -131.1 | 105.3 | -177.5 | -66 | -177 | 176.6 | 0 | 0 | 110.5 | ||||
| 932 | L | 26.1 | Very low | 38.5 | Very low | 165 Ų | 165 | 101.2 Ų | 101.2 | 86% | 0.864 | 60% | 0.6 | S | S | * | * | trans | -76.1 | 146.3 | 150.2 | -87.6 | 155.8 | 0 | 0 | 0 | 107.2 | G934 | L932-G934 PolarHBondContact O-N 3.48Š| ||
| 933 | P | 28.4 | Very low | 37.3 | Very low | 122 Ų | 122 | 107.6 Ų | 107.6 | 79% | 0.792 | 64% | 0.637 | S | S | * | * | trans | -62.7 | 129.3 | 166.8 | 28.3 | -28.7 | 0 | 0 | 0 | 107.7 | ||||
| 934 | G | 31.8 | Very low | 35.8 | Very low | 152 Ų | 152 | 117 Ų | 117 | 100% | 1.567 | 69% | 0.693 | S | S | * | * | trans | -61.2 | 0 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | L932 | L932-G934 PolarHBondContact O-N 3.48Š|
Retrieved 934 of 934 residues in 1214.6 ms
(Link to these results)