| 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 | 36.7 | Very low | 33.5 | Very low | 245 Ų | 245 | 130.8 Ų | 130.8 | 100% | 1.207 | 76% | 0.763 | S | S | * | * | 0 | 113.2 | 0 | -74.6 | 169.2 | 173.3 | 0 | 0 | 105.9 | |||||
| 2 | A | 32.2 | Very low | 33.2 | Very low | 100 Ų | 100 | 127.6 Ų | 127.6 | 83% | 0.826 | 75% | 0.753 | S | S | * | * | trans | -77.5 | 122 | -176.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | Q4 | A2-Q4 PolarHBondContact O-N 2.66Š| ||
| 3 | D | 31.3 | Very low | 33.3 | Very low | 142 Ų | 142 | 131.8 Ų | 131.8 | 76% | 0.759 | 76% | 0.756 | S | S | * | * | trans | -68.6 | 121.7 | -176.7 | -108.6 | -34.4 | 0 | 0 | 0 | 111 | S5 | D3-S5 PolarHBondContact O-N 3.01Š| ||
| 4 | Q | 37.4 | Very low | 33.1 | Very low | 174 Ų | 174 | 128.4 Ų | 128.4 | 81% | 0.813 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | 27.8 | -179.1 | -68.4 | -179.7 | 0.1 | 0 | 0 | 113.4 | A2 | A2-Q4 PolarHBondContact O-N 2.66Š|
| 5 | S | 40.2 | Very low | 33.4 | Very low | 81 Ų | 81 | 130.9 Ų | 130.9 | 57% | 0.566 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95 | -8.7 | -178.3 | 51.3 | 0 | 0 | 0 | 0 | 114 | D3 | D3-S5 PolarHBondContact O-N 3.01Š|
| 6 | N | 33.4 | Very low | 33.5 | Very low | 142 Ų | 142 | 133 Ų | 133 | 76% | 0.759 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -90.1 | 1.6 | -179.6 | -90.2 | -31.4 | 0 | 0 | 0 | 115.6 | ||
| 7 | I | 36.3 | Very low | 33.8 | Very low | 135 Ų | 135 | 132.3 Ų | 132.3 | 69% | 0.692 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -95.6 | -16.8 | -179 | -62.1 | 174.5 | 0 | 0 | 0 | 112.1 | ||
| 8 | Q | 33.2 | Very low | 33.8 | Very low | 160 Ų | 160 | 131.8 Ų | 131.8 | 75% | 0.748 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | -6.2 | 179.9 | -74.1 | -178 | -12.6 | 0 | 0 | 114.7 | ||
| 9 | S | 31.3 | Very low | 34.6 | Very low | 100 Ų | 100 | 131 Ų | 131 | 70% | 0.699 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | -9.9 | 172.4 | -173.4 | 0 | 0 | 0 | 0 | 113.6 | ||
| 10 | A | 28.4 | Very low | 35.7 | Very low | 71 Ų | 71 | 125.5 Ų | 125.5 | 59% | 0.587 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -92.2 | -13 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 11 | A | 28.4 | Very low | 36.9 | Very low | 89 Ų | 89 | 122.1 Ų | 122.1 | 74% | 0.736 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.4 | 2.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 12 | S | 29.3 | Very low | 38.6 | Very low | 92 Ų | 92 | 114.3 Ų | 114.3 | 64% | 0.643 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.6 | 14 | 177.4 | -42.7 | 0 | 0 | 0 | 0 | 112.8 | S14 | S12-S14 PolarHBondContact O-N 3.29Š|
| 13 | K | 34.1 | Very low | 40.9 | Very low | 182 Ų | 182 | 113.1 Ų | 113.1 | 79% | 0.791 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -65.2 | 85.6 | 161.1 | -74.2 | -174.3 | 179.6 | -176.6 | 0 | 106.8 | I15 | K13-I15 PolarHBondContact O-N 2.84Š|
| 14 | S | 31.1 | Very low | 43.5 | Very low | 85 Ų | 85 | 107.6 Ų | 107.6 | 59% | 0.594 | 59% | 0.585 | S | S | * | * | trans | -29.3 | 102.4 | 165.7 | 175 | 0 | 0 | 0 | 0 | 108.8 | S12 R16 | S12-S14 PolarHBondContact O-N 3.29Å; S14-R16 PolarHBondContact O-N 3.31Å; S14-R16 VanDerWaalsContact OG-CG 3.26Å; S14-R16 WeakPolarHBondContact OG-CG 3.15Å | ||
| 15 | I | 37.3 | Very low | 46 | Very low | 166 Ų | 166 | 100.4 Ų | 100.4 | 85% | 0.851 | 55% | 0.553 | S | S | * | * | trans | -63.9 | 84.2 | 159.7 | -61.6 | 169.2 | 0 | 0 | 0 | 103.6 | K13 | K13-I15 PolarHBondContact O-N 2.84Š| ||
| 16 | R | 34.4 | Very low | 48.5 | Very low | 164 Ų | 164 | 100.4 Ų | 100.4 | 62% | 0.619 | 54% | 0.541 | S | S | * | . | trans | -66.4 | 126.4 | 168.9 | -68.7 | -173.4 | -171.4 | -162.9 | 8.6 | 104.6 | S14 F18 | S14-R16 PolarHBondContact O-N 3.31Å; S14-R16 VanDerWaalsContact OG-CG 3.26Å; S14-R16 WeakPolarHBondContact OG-CG 3.15Å; R16-F18 HydrophobicContact CB-CD1 4.45Å; R16-F18 HydrophobicContact CB-CD2 3.62Å; R16-F18 HydrophobicContact CB-CE1 4.34Å; R16-F18 HydrophobicContact CB-CE2 3.43Å; R16-F18 VanDerWaalsContact CB-CE2 3.43Å; R16-F18 HydrophobicContact CB-CG 4.19Å; R16-F18 HydrophobicContact CB-CZ 3.87Å; R16-F18 VanDerWaalsContact CD-CE2 3.45Å; R16-F18 HydrophobicContact CG-CE2 4.03Å; R16-F18 HydrophobicContact CG-CZ 4.25Å; R16-F18 PolarHBondContact O-N 3.21Å | ||
| 17 | P | 39.3 | Very low | 51.3 | Low | 121 Ų | 121 | 93.7 Ų | 93.7 | 79% | 0.786 | 51% | 0.505 | S | S | * | . | trans | -72.4 | 88.7 | 175.3 | 30 | -32.1 | 0 | 0 | 0 | 107.1 | ||||
| 18 | F | 33.4 | Very low | 54.1 | Low | 123 Ų | 123 | 87.6 Ų | 87.6 | 54% | 0.539 | 47% | 0.473 | S | S | . | . | trans | -87.9 | 126.3 | 177.4 | -74.8 | -52.9 | 0 | 0 | 0 | 110.5 | R16 E22 | R16-F18 HydrophobicContact CB-CD1 4.45Å; R16-F18 HydrophobicContact CB-CD2 3.62Å; R16-F18 HydrophobicContact CB-CE1 4.34Å; R16-F18 HydrophobicContact CB-CE2 3.43Å; R16-F18 VanDerWaalsContact CB-CE2 3.43Å; R16-F18 HydrophobicContact CB-CG 4.19Å; R16-F18 HydrophobicContact CB-CZ 3.87Å; R16-F18 VanDerWaalsContact CD-CE2 3.45Å; R16-F18 HydrophobicContact CG-CE2 4.03Å; R16-F18 HydrophobicContact CG-CZ 4.25Å; R16-F18 PolarHBondContact O-N 3.21Å; F18-E22 HydrophobicContact CB-CB 4.41Å; F18-E22 VanDerWaalsContact CD1-OE1 3.24Å; F18-E22 WeakPolarHBondContact CD1-OE1 3.33Å; F18-E22 WeakPolarHBondContact CD1-OE2 3.46Å; F18-E22 WeakPolarHBondContact CE1-OE2 3.47Å; F18-E22 VanDerWaalsContact CG-OE2 3.31Å; F18-E22 WeakPolarHBondContact CG-OE2 3.36Å | ||
| 19 | K | 49.9 | Very low | 57.1 | Low | 117 Ų | 117 | 81.3 Ų | 81.3 | 51% | 0.509 | 44% | 0.443 | S | S | . | . | trans | -72.6 | 141.1 | -177.9 | -65.6 | 169.8 | 179.9 | 171.3 | 0 | 107.4 | S21 E22 | K19-S21 PolarHBondContact O-N 3.49Å; K19-E22 PolarHBondContact O-N 2.88Å | ||
| 20 | S | 56.9 | Low | 60.2 | Low | 21 Ų | 21 | 78.4 Ų | 78.4 | 15% | 0.147 | 42% | 0.419 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -41.8 | -20.7 | -178.9 | 63.8 | 0 | 0 | 0 | 0 | 117.5 | E22 H267 | S20-E22 VanDerWaalsContact C-N 3.32Å; S20-H267 WeakPolarHBondContact CB-CD2 3.26Å; S20-H267 PolarHBondContact O-ND1 3.27Å; S20-H267 PolarHBondContact OG-CD2 3.49Å; S20-H267 PolarHBondContact OG-NE2 3.33Å |
| 21 | S | 60.6 | Low | 63.4 | Low | 55 Ų | 55 | 75.3 Ų | 75.3 | 39% | 0.385 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -72.5 | -16.7 | 171.7 | 59.3 | 0 | 0 | 0 | 0 | 115.1 | K19 Y24 L25 | K19-S21 PolarHBondContact O-N 3.49Å; S21-Y24 WeakPolarHBondContact O-CD1 3.42Å; S21-Y24 WeakPolarHBondContact O-CE1 3.33Å; S21-L25 WeakPolarHBondContact O-CG 3.09Å |
| 22 | E | 72.3 | Confident | 66.7 | Low | 81 Ų | 81 | 71 Ų | 71 | 38% | 0.379 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -88.9 | -26.7 | -179.3 | -65.5 | -172.9 | -145.6 | 0 | 0 | 112.1 | F18 K19 S20 L25 Y26 | F18-E22 HydrophobicContact CB-CB 4.41Å; F18-E22 VanDerWaalsContact CD1-OE1 3.24Å; F18-E22 WeakPolarHBondContact CD1-OE1 3.33Å; F18-E22 WeakPolarHBondContact CD1-OE2 3.46Å; F18-E22 WeakPolarHBondContact CE1-OE2 3.47Å; F18-E22 VanDerWaalsContact CG-OE2 3.31Å; F18-E22 WeakPolarHBondContact CG-OE2 3.36Å; K19-E22 PolarHBondContact O-N 2.88Å; S20-E22 VanDerWaalsContact C-N 3.32Å; E22-L25 PolarHBondContact O-N 2.97Å; E22-Y26 WeakPolarHBondContact O-CB 3.37Å; E22-Y26 PolarHBondContact O-N 3.5Å |
| 23 | E | 80.3 | Confident | 70 | Confident | 74 Ų | 74 | 66.8 Ų | 66.8 | 35% | 0.346 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -70.4 | -43.2 | -178.4 | -167.1 | 178.8 | -165.4 | 0 | 0 | 112.3 | L25 Y26 A27 T264 | E23-L25 VanDerWaalsContact C-N 3.3Å; E23-L25 PolarHBondContact O-N 3.34Å; E23-Y26 WeakPolarHBondContact O-CB 3.4Å; E23-Y26 PolarHBondContact O-N 3.14Å; E23-A27 PolarHBondContact O-N 3.08Å; E23-T264 HydrophobicContact CG-CG2 4.22Å |
| 24 | Y | 85.2 | Confident | 72.9 | Confident | 26 Ų | 26 | 61.3 Ų | 61.3 | 10% | 0.102 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.3 | -36.2 | 175.2 | 87 | -93.2 | 0 | 0 | 0 | 111.6 | S21 Y26 A27 M28 K140 | S21-Y24 WeakPolarHBondContact O-CD1 3.42Å; S21-Y24 WeakPolarHBondContact O-CE1 3.33Å; Y24-Y26 VanDerWaalsContact C-N 3.33Å; Y24-A27 PolarHBondContact O-N 2.57Å; Y24-M28 HydrophobicContact CD2-CE 4.11Å; Y24-M28 HydrophobicContact CD2-SD 3.97Å; Y24-M28 HydrophobicContact CE2-CE 4.45Å; Y24-M28 HydrophobicContact CE2-SD 4.15Å; Y24-M28 WeakPolarHBondContact O-CG 3.16Å; Y24-M28 PolarHBondContact O-N 3.37Å; Y24-M28 VanDerWaalsContact O-N 3.1Å; Y24-K140 VanDerWaalsContact OH-CD 3.29Å; Y24-K140 WeakPolarHBondContact OH-CD 3.44Å; Y24-K140 VanDerWaalsContact OH-CE 3.29Å; Y24-K140 WeakPolarHBondContact OH-CE 3.31Å |
| 25 | L | 90.6 | Very high | 76 | Confident | 24 Ų | 24 | 57.7 Ų | 57.7 | 13% | 0.126 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.7 | -38.3 | 174.9 | -70.6 | 176.3 | 0 | 0 | 0 | 111.2 | S21 E22 E23 M28 K29 K140 I143 | S21-L25 WeakPolarHBondContact O-CG 3.09Å; E22-L25 PolarHBondContact O-N 2.97Å; E23-L25 VanDerWaalsContact C-N 3.3Å; E23-L25 PolarHBondContact O-N 3.34Å; L25-M28 PolarHBondContact O-N 3.29Å; L25-K29 WeakPolarHBondContact O-CG 3.41Å; L25-K29 PolarHBondContact O-N 2.77Å; L25-K140 HydrophobicContact CD1-CB 4.13Å; L25-K140 HydrophobicContact CD2-CB 3.9Å; L25-K140 HydrophobicContact CD2-CG 3.97Å; L25-I143 HydrophobicContact CB-CD1 4.33Å; L25-I143 HydrophobicContact CD2-CD1 4Å |
| 26 | Y | 92.9 | Very high | 78.9 | Confident | 81 Ų | 81 | 50 Ų | 50 | 32% | 0.318 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.4 | -47 | 175.1 | -172.3 | -82.5 | 0 | 0 | 0 | 111.3 | E22 E23 Y24 M28 K29 E30 A46 | E22-Y26 WeakPolarHBondContact O-CB 3.37Å; E22-Y26 PolarHBondContact O-N 3.5Å; E23-Y26 WeakPolarHBondContact O-CB 3.4Å; E23-Y26 PolarHBondContact O-N 3.14Å; Y24-Y26 VanDerWaalsContact C-N 3.33Å; Y26-M28 VanDerWaalsContact C-N 3.31Å; Y26-M28 PolarHBondContact O-N 2.8Å; Y26-K29 PolarHBondContact O-N 3.03Å; Y26-K29 VanDerWaalsContact O-N 3.12Å; Y26-E30 PolarHBondContact O-N 3.24Å; Y26-A46 HydrophobicContact CD1-CB 4.31Å; Y26-A46 HydrophobicContact CD2-CB 4.06Å; Y26-A46 HydrophobicContact CE1-CB 3.87Å; Y26-A46 HydrophobicContact CE2-CB 3.61Å; Y26-A46 HydrophobicContact CG-CB 4.39Å |
| 27 | A | 92.4 | Very high | 81.8 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.5 | -43.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | E23 Y24 E30 D31 L250 H253 M255 | E23-A27 PolarHBondContact O-N 3.08Å; Y24-A27 PolarHBondContact O-N 2.57Å; A27-E30 PolarHBondContact O-N 2.86Å; A27-D31 PolarHBondContact O-N 3.49Å; A27-D31 VanDerWaalsContact O-N 3.1Å; A27-L250 HydrophobicContact CB-CD2 4.29Å; A27-H253 HydrophobicContact CB-CB 4.02Å; A27-H253 VanDerWaalsContact CB-CD2 3.42Å; A27-H253 WeakPolarHBondContact CB-CD2 3.37Å; A27-H253 VanDerWaalsContact CB-CG 3.47Å; A27-M255 HydrophobicContact CB-SD 4.13Å |
| 28 | M | 94.7 | Very high | 84.5 | Confident | 8 Ų | 8 | 44.7 Ų | 44.7 | 4% | 0.039 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.4 | -41.6 | 175 | -70.2 | 177.1 | 168.6 | 0 | 0 | 112.4 | Y24 L25 Y26 E30 L32 I143 L144 L147 L163 W262 | Y24-M28 HydrophobicContact CD2-CE 4.11Å; Y24-M28 HydrophobicContact CD2-SD 3.97Å; Y24-M28 HydrophobicContact CE2-CE 4.45Å; Y24-M28 HydrophobicContact CE2-SD 4.15Å; Y24-M28 WeakPolarHBondContact O-CG 3.16Å; Y24-M28 PolarHBondContact O-N 3.37Å; Y24-M28 VanDerWaalsContact O-N 3.1Å; L25-M28 PolarHBondContact O-N 3.29Å; Y26-M28 VanDerWaalsContact C-N 3.31Å; Y26-M28 PolarHBondContact O-N 2.8Å; M28-E30 VanDerWaalsContact C-N 3.34Å; M28-L32 WeakPolarHBondContact O-CB 3.48Å; M28-L32 VanDerWaalsContact O-CG 3.3Å; M28-L32 WeakPolarHBondContact O-CG 3.38Å; M28-L32 PolarHBondContact O-N 2.97Å; M28-I143 HydrophobicContact CB-CG2 3.6Å; M28-I143 HydrophobicContact CG-CG2 4.39Å; M28-I143 HydrophobicContact SD-CG2 4.02Å; M28-L144 HydrophobicContact CE-CD2 4.47Å; M28-L144 HydrophobicContact SD-CD2 4.35Å; M28-L147 HydrophobicContact CB-CD1 4.42Å; M28-L147 HydrophobicContact CE-CD1 4.19Å; M28-L147 HydrophobicContact CG-CD1 4.11Å; M28-L147 HydrophobicContact SD-CD1 3.87Å; M28-L163 HydrophobicContact CE-CD2 3.96Å; M28-L163 HydrophobicContact CG-CD2 3.9Å; M28-W262 HydrophobicContact CE-CB 4.18Å |
| 29 | K | 96.3 | Very high | 87.4 | Confident | 27 Ų | 27 | 41.2 Ų | 41.2 | 12% | 0.117 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63 | -40.7 | 175.3 | -75.6 | -170.2 | -69.8 | -171.4 | 0 | 111.7 | L25 Y26 L32 A33 A46 F49 M50 E139 I143 | L25-K29 WeakPolarHBondContact O-CG 3.41Å; L25-K29 PolarHBondContact O-N 2.77Å; Y26-K29 PolarHBondContact O-N 3.03Å; Y26-K29 VanDerWaalsContact O-N 3.12Å; K29-L32 PolarHBondContact O-N 3.36Å; K29-A33 VanDerWaalsContact O-CB 3.24Å; K29-A33 WeakPolarHBondContact O-CB 3.27Å; K29-A33 PolarHBondContact O-N 3.24Å; K29-A46 HydrophobicContact CB-CB 4.1Å; K29-F49 HydrophobicContact CB-CB 4.4Å; K29-F49 HydrophobicContact CB-CD1 4.31Å; K29-F49 HydrophobicContact CB-CG 4.27Å; K29-F49 HydrophobicContact CD-CB 4.19Å; K29-F49 HydrophobicContact CD-CD1 3.95Å; K29-F49 HydrophobicContact CD-CG 4.37Å; K29-F49 HydrophobicContact CG-CB 4.47Å; K29-F49 HydrophobicContact CG-CD1 3.79Å; K29-F49 HydrophobicContact CG-CE1 4.31Å; K29-F49 HydrophobicContact CG-CG 4.22Å; K29-M50 HydrophobicContact CD-CG 4.43Å; K29-E139 IonicContact NZ-OE2 2.73Å; K29-E139 PolarHBondContact NZ-OE2 3.25Å; K29-I143 HydrophobicContact CD-CD1 3.91Å; K29-I143 HydrophobicContact CG-CD1 3.52Å; K29-I143 HydrophobicContact CG-CG1 3.95Å |
| 30 | E | 95.8 | Very high | 89.6 | Confident | 39 Ų | 39 | 38.8 Ų | 38.8 | 18% | 0.182 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.8 | -45.4 | 179.1 | -163.8 | -175.7 | -126.5 | 0 | 0 | 111.8 | Y26 A27 M28 A33 E34 A46 R251 H253 | Y26-E30 PolarHBondContact O-N 3.24Å; A27-E30 PolarHBondContact O-N 2.86Å; M28-E30 VanDerWaalsContact C-N 3.34Å; E30-A33 PolarHBondContact O-N 3.4Å; E30-E34 PolarHBondContact O-N 3.14Å; E30-E34 VanDerWaalsContact O-N 3.07Å; E30-A46 HydrophobicContact CB-CB 4.05Å; E30-R251 VanDerWaalsContact CD-NE 3.3Å; E30-R251 WeakPolarHBondContact OE2-CD 3.42Å; E30-R251 IonicContact OE2-NE 2.73Å; E30-R251 PolarHBondContact OE2-NE 3.16Å; E30-H253 IonicContact OE2-CD2 2.66Å; E30-H253 IonicContact OE2-NE2 2.99Å |
| 31 | D | 96.4 | Very high | 91.4 | Very high | 6 Ų | 6 | 44.5 Ų | 44.5 | 3% | 0.032 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.1 | -45.1 | 176.4 | -172.9 | 45.2 | 0 | 0 | 0 | 111.9 | A27 A33 E34 W35 P161 M162 L163 L250 | A27-D31 PolarHBondContact O-N 3.49Å; A27-D31 VanDerWaalsContact O-N 3.1Å; D31-A33 VanDerWaalsContact C-N 3.34Å; D31-A33 PolarHBondContact O-N 3.23Å; D31-E34 PolarHBondContact O-N 3.03Å; D31-W35 WeakPolarHBondContact O-CB 3.23Å; D31-W35 PolarHBondContact O-N 3.37Å; D31-P161 WeakPolarHBondContact OD2-CB 3.41Å; D31-M162 VanDerWaalsContact OD1-CB 3.23Å; D31-M162 WeakPolarHBondContact OD1-CB 3.36Å; D31-M162 PolarHBondContact OD1-N 3.48Å; D31-M162 PolarHBondContact OD2-N 3.43Å; D31-M162 VanDerWaalsContact OD2-N 3.14Å; D31-L163 VanDerWaalsContact OD2-CB 3.27Å; D31-L163 WeakPolarHBondContact OD2-CB 3.27Å; D31-L163 PolarHBondContact OD2-N 3.41Å; D31-L250 HydrophobicContact CB-CD1 4.34Å; D31-L250 HydrophobicContact CB-CD2 4.24Å |
| 32 | L | 97.8 | Very high | 93 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.2 | -36.9 | 176 | -73.4 | 168.7 | 0 | 0 | 0 | 112.8 | M28 K29 W35 L36 F49 I143 L146 L147 P161 | M28-L32 WeakPolarHBondContact O-CB 3.48Å; M28-L32 VanDerWaalsContact O-CG 3.3Å; M28-L32 WeakPolarHBondContact O-CG 3.38Å; M28-L32 PolarHBondContact O-N 2.97Å; K29-L32 PolarHBondContact O-N 3.36Å; L32-W35 HydrophobicContact CD2-CE3 3.88Å; L32-W35 HydrophobicContact CD2-CZ3 4.16Å; L32-W35 PolarHBondContact O-N 3.17Å; L32-L36 WeakPolarHBondContact O-CG 3.23Å; L32-L36 PolarHBondContact O-N 3.35Å; L32-F49 HydrophobicContact CB-CE2 3.62Å; L32-F49 HydrophobicContact CB-CZ 3.63Å; L32-F49 HydrophobicContact CD1-CE1 4.4Å; L32-F49 HydrophobicContact CD1-CZ 3.92Å; L32-F49 HydrophobicContact CG-CZ 4.42Å; L32-I143 HydrophobicContact CD1-CG2 3.92Å; L32-L146 HydrophobicContact CD1-CB 4.46Å; L32-L146 HydrophobicContact CD1-CD2 4.24Å; L32-L146 HydrophobicContact CD2-CD2 4.17Å; L32-L146 HydrophobicContact CD2-CG 4.16Å; L32-L147 HydrophobicContact CD1-CD2 4.46Å; L32-L147 HydrophobicContact CD1-CG 4.23Å; L32-L147 HydrophobicContact CD2-CD2 3.91Å; L32-L147 HydrophobicContact CD2-CG 4.3Å; L32-L147 HydrophobicContact CG-CD2 4.16Å; L32-L147 HydrophobicContact CG-CG 4.46Å; L32-P161 HydrophobicContact CD2-CG 4.03Å |
| 33 | A | 97.4 | Very high | 94 | Very high | 3 Ų | 3 | 46.4 Ų | 46.4 | 3% | 0.025 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.8 | -46.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | K29 E30 D31 W35 L36 K37 V44 F49 | K29-A33 VanDerWaalsContact O-CB 3.24Å; K29-A33 WeakPolarHBondContact O-CB 3.27Å; K29-A33 PolarHBondContact O-N 3.24Å; E30-A33 PolarHBondContact O-N 3.4Å; D31-A33 VanDerWaalsContact C-N 3.34Å; D31-A33 PolarHBondContact O-N 3.23Å; A33-W35 VanDerWaalsContact C-N 3.32Å; A33-W35 PolarHBondContact O-N 3.37Å; A33-L36 PolarHBondContact O-N 3.18Å; A33-K37 WeakPolarHBondContact O-CB 2.88Å; A33-K37 PolarHBondContact O-N 2.88Å; A33-V44 HydrophobicContact CB-CB 4.48Å; A33-V44 HydrophobicContact CB-CG1 4.14Å; A33-F49 HydrophobicContact CB-CD2 4.02Å |
| 34 | E | 96 | Very high | 94.7 | Very high | 66 Ų | 66 | 43.4 Ų | 43.4 | 31% | 0.308 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -63 | -39.5 | 175.1 | -168.8 | 74.1 | -122.7 | 0 | 0 | 112.1 | E30 D31 K37 T38 R251 | E30-E34 PolarHBondContact O-N 3.14Å; E30-E34 VanDerWaalsContact O-N 3.07Å; D31-E34 PolarHBondContact O-N 3.03Å; E34-K37 WeakPolarHBondContact O-CB 3.4Å; E34-K37 PolarHBondContact O-N 3Å; E34-T38 WeakPolarHBondContact O-CB 3.47Å; E34-T38 PolarHBondContact O-N 2.98Å; E34-T38 PolarHBondContact O-OG1 2.84Å; E34-R251 IonicContact OE2-CZ 3.26Å; E34-R251 IonicContact OE2-NH1 2.73Å; E34-R251 PolarHBondContact OE2-NH1 2.9Å; E34-R251 IonicContact OE2-NH2 2.89Å; E34-R251 PolarHBondContact OE2-NH2 3.12Å |
| 35 | W | 96.8 | Very high | 95.2 | Very high | 9 Ų | 9 | 45.3 Ų | 45.3 | 3% | 0.034 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.1 | -47.9 | 177.2 | 172.3 | 64.6 | 0 | 0 | 0 | 111.9 | D31 L32 A33 K37 T38 L39 H62 L146 A150 L159 P161 | D31-W35 WeakPolarHBondContact O-CB 3.23Å; D31-W35 PolarHBondContact O-N 3.37Å; L32-W35 HydrophobicContact CD2-CE3 3.88Å; L32-W35 HydrophobicContact CD2-CZ3 4.16Å; L32-W35 PolarHBondContact O-N 3.17Å; A33-W35 VanDerWaalsContact C-N 3.32Å; A33-W35 PolarHBondContact O-N 3.37Å; W35-K37 VanDerWaalsContact C-N 3.34Å; W35-K37 PolarHBondContact O-N 3.41Å; W35-T38 PolarHBondContact O-N 3.04Å; W35-L39 HydrophobicContact CD2-CD1 4.07Å; W35-L39 HydrophobicContact CG-CD1 4.44Å; W35-L39 HydrophobicContact CH2-CD1 4.49Å; W35-L39 HydrophobicContact CZ2-CD1 3.63Å; W35-L39 VanDerWaalsContact NE1-CD1 3.32Å; W35-L39 WeakPolarHBondContact O-CG 3.29Å; W35-L39 PolarHBondContact O-N 3.08Å; W35-H62 AromaticContact CH2-CE1 3.21Å; W35-H62 WeakPolarHBondContact CH2-CE1 3.38Å; W35-H62 AromaticContact CH2-NE2 3.37Å; W35-H62 WeakPolarHBondContact CH2-NE2 3.4Å; W35-H62 AromaticContact CZ2-CE1 3.41Å; W35-H62 VanDerWaalsContact CZ2-CE1 3.41Å; W35-H62 WeakPolarHBondContact CZ2-CE1 3.27Å; W35-H62 AromaticContact CZ2-NE2 3.91Å; W35-L146 HydrophobicContact CZ3-CD1 4.37Å; W35-L146 HydrophobicContact CZ3-CG 4.23Å; W35-A150 HydrophobicContact CH2-CB 3.57Å; W35-A150 HydrophobicContact CZ2-CB 3.6Å; W35-A150 HydrophobicContact CZ3-CB 4.14Å; W35-L159 PolarHBondContact NE1-O 3.28Å; W35-P161 HydrophobicContact CB-CB 4.16Å; W35-P161 HydrophobicContact CB-CG 4.03Å; W35-P161 HydrophobicContact CD2-CG 3.68Å; W35-P161 HydrophobicContact CE3-CG 4.1Å; W35-P161 HydrophobicContact CG-CB 4.23Å; W35-P161 HydrophobicContact CG-CG 3.64Å |
| 36 | L | 97.1 | Very high | 95.3 | Very high | 5 Ų | 5 | 44.3 Ų | 44.3 | 3% | 0.026 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.4 | -37.6 | 176.3 | -69.9 | 176.7 | 0 | 0 | 0 | 112.3 | L32 A33 L39 Y40 F49 L53 | L32-L36 WeakPolarHBondContact O-CG 3.23Å; L32-L36 PolarHBondContact O-N 3.35Å; A33-L36 PolarHBondContact O-N 3.18Å; L36-L39 PolarHBondContact O-N 2.81Å; L36-Y40 HydrophobicContact CD2-CD2 3.98Å; L36-Y40 HydrophobicContact CD2-CE2 3.94Å; L36-Y40 WeakPolarHBondContact O-CB 3.4Å; L36-Y40 PolarHBondContact O-N 2.97Å; L36-F49 HydrophobicContact CD1-CE2 4Å; L36-L53 HydrophobicContact CD1-CD1 3.93Å; L36-L53 HydrophobicContact CD1-CD2 3.98Å |
| 37 | K | 95.6 | Very high | 95.4 | Very high | 89 Ų | 89 | 46.1 Ų | 46.1 | 39% | 0.387 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -59.6 | -46.4 | 172.5 | -177 | 176.9 | -179.7 | 176.8 | 0 | 111.4 | A33 E34 W35 L39 D41 L42 | A33-K37 WeakPolarHBondContact O-CB 2.88Å; A33-K37 PolarHBondContact O-N 2.88Å; E34-K37 WeakPolarHBondContact O-CB 3.4Å; E34-K37 PolarHBondContact O-N 3Å; W35-K37 VanDerWaalsContact C-N 3.34Å; W35-K37 PolarHBondContact O-N 3.41Å; K37-L39 PolarHBondContact O-N 3.2Å; K37-D41 WeakPolarHBondContact O-CA 3.44Å; K37-D41 PolarHBondContact O-N 2.81Å; K37-L42 WeakPolarHBondContact CA-O 3.38Å; K37-L42 WeakPolarHBondContact CB-O 3.41Å |
| 38 | T | 95.6 | Very high | 95.5 | Very high | 85 Ų | 85 | 48.9 Ų | 48.9 | 52% | 0.521 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -65.4 | -39 | 179.6 | -57.4 | 0 | 0 | 0 | 0 | 112.3 | E34 W35 L159 | E34-T38 WeakPolarHBondContact O-CB 3.47Å; E34-T38 PolarHBondContact O-N 2.98Å; E34-T38 PolarHBondContact O-OG1 2.84Å; W35-T38 PolarHBondContact O-N 3.04Å; T38-L159 HydrophobicContact CG2-CD2 3.48Å; T38-L159 VanDerWaalsContact CG2-CD2 3.48Å |
| 39 | L | 94.8 | Very high | 95.7 | Very high | 50 Ų | 50 | 48.5 Ų | 48.5 | 26% | 0.262 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -76.7 | -33.6 | -178.8 | -74.6 | -178.4 | 0 | 0 | 0 | 113.7 | W35 L36 K37 M158 L159 | W35-L39 HydrophobicContact CD2-CD1 4.07Å; W35-L39 HydrophobicContact CG-CD1 4.44Å; W35-L39 HydrophobicContact CH2-CD1 4.49Å; W35-L39 HydrophobicContact CZ2-CD1 3.63Å; W35-L39 VanDerWaalsContact NE1-CD1 3.32Å; W35-L39 WeakPolarHBondContact O-CG 3.29Å; W35-L39 PolarHBondContact O-N 3.08Å; L36-L39 PolarHBondContact O-N 2.81Å; K37-L39 PolarHBondContact O-N 3.2Å; L39-M158 HydrophobicContact CD1-CE 4.22Å; L39-L159 HydrophobicContact CD2-CB 4.08Å |
| 40 | Y | 95.6 | Very high | 95.7 | Very high | 66 Ų | 66 | 47.5 Ų | 47.5 | 26% | 0.259 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -138 | 2.8 | -163.1 | -57 | -57 | 0 | 0 | 0 | 114.9 | L36 L42 H62 T65 | L36-Y40 HydrophobicContact CD2-CD2 3.98Å; L36-Y40 HydrophobicContact CD2-CE2 3.94Å; L36-Y40 WeakPolarHBondContact O-CB 3.4Å; L36-Y40 PolarHBondContact O-N 2.97Å; Y40-L42 HydrophobicContact CD2-CD1 4.37Å; Y40-L42 HydrophobicContact CG-CD1 4.12Å; Y40-L42 PolarHBondContact O-N 3.33Å; Y40-H62 HydrophobicContact CE2-CB 4.13Å; Y40-H62 AromaticContact CE2-ND1 3.42Å; Y40-H62 WeakPolarHBondContact CE2-ND1 3.25Å; Y40-H62 AromaticContact CZ-ND1 3.47Å; Y40-H62 PolarHBondContact OH-ND1 3.35Å; Y40-T65 HydrophobicContact CE1-CG2 4.16Å |
| 41 | D | 94.8 | Very high | 95.7 | Very high | 140 Ų | 140 | 49.8 Ų | 49.8 | 75% | 0.749 | 26% | 0.263 | S | S | * | . | trans | 55.1 | 36.3 | -173.5 | -159.1 | 35.6 | 0 | 0 | 0 | 112.9 | K37 | K37-D41 WeakPolarHBondContact O-CA 3.44Å; K37-D41 PolarHBondContact O-N 2.81Å | ||
| 42 | L | 93.8 | Very high | 95.7 | Very high | 31 Ų | 31 | 51.3 Ų | 51.3 | 16% | 0.162 | 28% | 0.277 | C | S | . | . | trans | -75.9 | 121.3 | 174.6 | -99.6 | 84 | 0 | 0 | 0 | 110.3 | K37 Y40 V44 A58 | K37-L42 WeakPolarHBondContact CA-O 3.38Å; K37-L42 WeakPolarHBondContact CB-O 3.41Å; Y40-L42 HydrophobicContact CD2-CD1 4.37Å; Y40-L42 HydrophobicContact CG-CD1 4.12Å; Y40-L42 PolarHBondContact O-N 3.33Å; L42-V44 VanDerWaalsContact C-N 3.34Å; L42-V44 HydrophobicContact CB-CG2 3.96Å; L42-V44 HydrophobicContact CD2-CG2 4.12Å; L42-V44 HydrophobicContact CG-CG2 4.48Å; L42-V44 PolarHBondContact O-N 2.77Å; L42-A58 HydrophobicContact CD2-CB 3.94Å | ||
| 43 | D | 93.8 | Very high | 95.7 | Very high | 145 Ų | 145 | 51.3 Ų | 51.3 | 78% | 0.775 | 28% | 0.277 | S | S | * | . | trans | -79.6 | 82.1 | 173.6 | -169.5 | 25.4 | 0 | 0 | 0 | 110.7 | ||||
| 44 | V | 94.6 | Very high | 95.6 | Very high | 12 Ų | 12 | 52.6 Ų | 52.6 | 7% | 0.073 | 28% | 0.282 | C | S | . | . | trans | -129 | 142.5 | -175.5 | -177.5 | 0 | 0 | 0 | 0 | 109.6 | A33 L42 F49 A52 | A33-V44 HydrophobicContact CB-CB 4.48Å; A33-V44 HydrophobicContact CB-CG1 4.14Å; L42-V44 VanDerWaalsContact C-N 3.34Å; L42-V44 HydrophobicContact CB-CG2 3.96Å; L42-V44 HydrophobicContact CD2-CG2 4.12Å; L42-V44 HydrophobicContact CG-CG2 4.48Å; L42-V44 PolarHBondContact O-N 2.77Å; V44-F49 HydrophobicContact CG1-CB 4.26Å; V44-F49 HydrophobicContact CG1-CD2 3.87Å; V44-A52 HydrophobicContact CB-CB 4.35Å; V44-A52 HydrophobicContact CG1-CB 3.95Å; V44-A52 HydrophobicContact CG2-CB 3.44Å; V44-A52 VanDerWaalsContact CG2-CB 3.44Å | ||
| 45 | T | 95.6 | Very high | 95.7 | Very high | 65 Ų | 65 | 50.8 Ų | 50.8 | 40% | 0.399 | 28% | 0.276 | S | S | . | . | trans | -123.3 | 168.5 | 176 | 66 | 0 | 0 | 0 | 0 | 109.5 | D47 T48 F49 | T45-D47 PolarHBondContact O-N 2.89Å; T45-T48 PolarHBondContact N-OG1 2.89Å; T45-T48 CarbonylContact O-C 3.55Å; T45-T48 PolarHBondContact O-N 2.73Å; T45-T48 PolarHBondContact OG1-N 3.26Å; T45-T48 PolarHBondContact OG1-OG1 2.86Å; T45-F49 WeakPolarHBondContact O-CA 3.24Å; T45-F49 VanDerWaalsContact O-CB 3.3Å; T45-F49 WeakPolarHBondContact O-CB 3.04Å; T45-F49 PolarHBondContact O-N 2.73Å | ||
| 46 | A | 94.3 | Very high | 95.7 | Very high | 3 Ų | 3 | 50.4 Ų | 50.4 | 3% | 0.025 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -32.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y26 K29 E30 | Y26-A46 HydrophobicContact CD1-CB 4.31Å; Y26-A46 HydrophobicContact CD2-CB 4.06Å; Y26-A46 HydrophobicContact CE1-CB 3.87Å; Y26-A46 HydrophobicContact CE2-CB 3.61Å; Y26-A46 HydrophobicContact CG-CB 4.39Å; K29-A46 HydrophobicContact CB-CB 4.1Å; E30-A46 HydrophobicContact CB-CB 4.05Å |
| 47 | D | 93.9 | Very high | 95.8 | Very high | 120 Ų | 120 | 50.8 Ų | 50.8 | 64% | 0.642 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -40.8 | 177.8 | -67.4 | -48.4 | 0 | 0 | 0 | 112.4 | T45 | T45-D47 PolarHBondContact O-N 2.89Š|
| 48 | T | 95.7 | Very high | 95.9 | Very high | 58 Ų | 58 | 47 Ų | 47 | 36% | 0.356 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 1 | -178.7 | 60 | 0 | 0 | 0 | 0 | 113.5 | T45 M50 D51 A52 | T45-T48 PolarHBondContact N-OG1 2.89Å; T45-T48 CarbonylContact O-C 3.55Å; T45-T48 PolarHBondContact O-N 2.73Å; T45-T48 PolarHBondContact OG1-N 3.26Å; T45-T48 PolarHBondContact OG1-OG1 2.86Å; T48-M50 PolarHBondContact O-N 3.33Å; T48-D51 PolarHBondContact O-N 3.13Å; T48-A52 WeakPolarHBondContact O-CB 3.34Å; T48-A52 PolarHBondContact O-N 3.37Å |
| 49 | F | 96.9 | Very high | 96 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -55.1 | -49.5 | -170.5 | -175.1 | -104.8 | 0 | 0 | 0 | 113.1 | K29 L32 A33 L36 V44 T45 L53 F142 L146 | K29-F49 HydrophobicContact CB-CB 4.4Å; K29-F49 HydrophobicContact CB-CD1 4.31Å; K29-F49 HydrophobicContact CB-CG 4.27Å; K29-F49 HydrophobicContact CD-CB 4.19Å; K29-F49 HydrophobicContact CD-CD1 3.95Å; K29-F49 HydrophobicContact CD-CG 4.37Å; K29-F49 HydrophobicContact CG-CB 4.47Å; K29-F49 HydrophobicContact CG-CD1 3.79Å; K29-F49 HydrophobicContact CG-CE1 4.31Å; K29-F49 HydrophobicContact CG-CG 4.22Å; L32-F49 HydrophobicContact CB-CE2 3.62Å; L32-F49 HydrophobicContact CB-CZ 3.63Å; L32-F49 HydrophobicContact CD1-CE1 4.4Å; L32-F49 HydrophobicContact CD1-CZ 3.92Å; L32-F49 HydrophobicContact CG-CZ 4.42Å; A33-F49 HydrophobicContact CB-CD2 4.02Å; L36-F49 HydrophobicContact CD1-CE2 4Å; V44-F49 HydrophobicContact CG1-CB 4.26Å; V44-F49 HydrophobicContact CG1-CD2 3.87Å; T45-F49 WeakPolarHBondContact O-CA 3.24Å; T45-F49 VanDerWaalsContact O-CB 3.3Å; T45-F49 WeakPolarHBondContact O-CB 3.04Å; T45-F49 PolarHBondContact O-N 2.73Å; F49-L53 HydrophobicContact CD1-CD1 4.34Å; F49-L53 HydrophobicContact CD2-CD1 4.23Å; F49-L53 HydrophobicContact CE1-CD1 3.87Å; F49-L53 HydrophobicContact CE2-CD1 3.74Å; F49-L53 HydrophobicContact CZ-CD1 3.53Å; F49-L53 WeakPolarHBondContact O-CG 3.35Å; F49-L53 PolarHBondContact O-N 3.21Å; F49-F142 HydrophobicContact CD1-CE1 4.41Å; F49-F142 HydrophobicContact CE1-CD1 4.3Å; F49-F142 AromaticContact CE1-CE1 3.71Å; F49-F142 HydrophobicContact CE1-CE1 3.71Å; F49-F142 HydrophobicContact CZ-CE1 4.43Å; F49-L146 HydrophobicContact CZ-CD2 3.81Å |
| 50 | M | 96.8 | Very high | 96.2 | Very high | 5 Ų | 5 | 40.7 Ų | 40.7 | 3% | 0.025 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -69.3 | -41.6 | -176.6 | -63.2 | -60.9 | -66 | 0 | 0 | 110.4 | K29 T48 L53 E54 L133 R136 E139 F142 | K29-M50 HydrophobicContact CD-CG 4.43Å; T48-M50 PolarHBondContact O-N 3.33Å; M50-L53 PolarHBondContact O-N 3.48Å; M50-E54 PolarHBondContact O-N 2.95Å; M50-E54 VanDerWaalsContact O-N 3.11Å; M50-L133 HydrophobicContact CE-CD1 3.69Å; M50-L133 HydrophobicContact SD-CD1 4.43Å; M50-R136 VanDerWaalsContact CB-NH1 3.32Å; M50-R136 PolarHBondContact O-NH1 3.37Å; M50-R136 PolarHBondContact O-NH2 3.15Å; M50-R136 VanDerWaalsContact O-NH2 3.16Å; M50-E139 HydrophobicContact CE-CB 4.02Å; M50-E139 HydrophobicContact CE-CG 3.92Å; M50-E139 HydrophobicContact CG-CG 4.36Å; M50-E139 HydrophobicContact SD-CB 4.23Å; M50-E139 HydrophobicContact SD-CG 4.36Å; M50-F142 HydrophobicContact CE-CD1 3.74Å; M50-F142 HydrophobicContact CE-CE1 4.37Å; M50-F142 HydrophobicContact CE-CG 4.41Å; M50-F142 HydrophobicContact SD-CD1 3.59Å; M50-F142 VanDerWaalsContact SD-CD1 3.59Å; M50-F142 HydrophobicContact SD-CE1 3.93Å |
| 51 | D | 96.1 | Very high | 96.3 | Very high | 87 Ų | 87 | 43.9 Ų | 43.9 | 47% | 0.465 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -64.9 | -42.2 | 179.7 | -60.4 | -21.8 | 0 | 0 | 0 | 111.4 | T48 L53 E54 R136 | T48-D51 PolarHBondContact O-N 3.13Å; D51-L53 PolarHBondContact O-N 3.28Å; D51-E54 WeakPolarHBondContact O-CG 3.31Å; D51-E54 PolarHBondContact O-N 2.83Å; D51-R136 IonicContact OD1-CZ 2.84Å; D51-R136 IonicContact OD1-NE 2.73Å; D51-R136 IonicContact OD1-NH2 3.15Å; D51-R136 PolarHBondContact OD1-NH2 3.49Å |
| 52 | A | 96.1 | Very high | 96.5 | Very high | 38 Ų | 38 | 37.2 Ų | 37.2 | 31% | 0.314 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -63.7 | -27.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | V44 T48 | V44-A52 HydrophobicContact CB-CB 4.35Å; V44-A52 HydrophobicContact CG1-CB 3.95Å; V44-A52 HydrophobicContact CG2-CB 3.44Å; V44-A52 VanDerWaalsContact CG2-CB 3.44Å; T48-A52 WeakPolarHBondContact O-CB 3.34Å; T48-A52 PolarHBondContact O-N 3.37Å |
| 53 | L | 97.4 | Very high | 96.7 | Very high | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -102.5 | -11.5 | -173.6 | -61.2 | 178.5 | 0 | 0 | 0 | 113.7 | L36 F49 M50 D51 T55 G56 A58 L59 L133 F142 L146 | L36-L53 HydrophobicContact CD1-CD1 3.93Å; L36-L53 HydrophobicContact CD1-CD2 3.98Å; F49-L53 HydrophobicContact CD1-CD1 4.34Å; F49-L53 HydrophobicContact CD2-CD1 4.23Å; F49-L53 HydrophobicContact CE1-CD1 3.87Å; F49-L53 HydrophobicContact CE2-CD1 3.74Å; F49-L53 HydrophobicContact CZ-CD1 3.53Å; F49-L53 WeakPolarHBondContact O-CG 3.35Å; F49-L53 PolarHBondContact O-N 3.21Å; M50-L53 PolarHBondContact O-N 3.48Å; D51-L53 PolarHBondContact O-N 3.28Å; L53-T55 PolarHBondContact O-N 2.99Å; L53-T55 VanDerWaalsContact O-N 3.1Å; L53-G56 PolarHBondContact O-N 3.38Å; L53-A58 HydrophobicContact CD2-CB 3.61Å; L53-L59 HydrophobicContact CD1-CD2 4.39Å; L53-L59 HydrophobicContact CD2-CD2 4.32Å; L53-L133 HydrophobicContact CB-CD1 4.39Å; L53-F142 HydrophobicContact CB-CZ 4.18Å; L53-F142 HydrophobicContact CD1-CE1 3.95Å; L53-F142 HydrophobicContact CD1-CZ 3.8Å; L53-L146 HydrophobicContact CD1-CD2 4.43Å |
| 54 | E | 96.9 | Very high | 96.9 | Very high | 30 Ų | 30 | 30.1 Ų | 30.1 | 14% | 0.14 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -18.8 | -170.6 | 77.1 | -166.5 | 156 | 0 | 0 | 115.1 | M50 D51 G56 P100 R136 | M50-E54 PolarHBondContact O-N 2.95Å; M50-E54 VanDerWaalsContact O-N 3.11Å; D51-E54 WeakPolarHBondContact O-CG 3.31Å; D51-E54 PolarHBondContact O-N 2.83Å; E54-G56 PolarHBondContact O-N 3.3Å; E54-P100 HydrophobicContact CG-CB 3.92Å; E54-P100 HydrophobicContact CG-CG 4.23Å; E54-P100 WeakPolarHBondContact OE1-CB 3.34Å; E54-P100 WeakPolarHBondContact OE1-CG 3.41Å; E54-R136 IonicContact OE2-CZ 3.48Å; E54-R136 IonicContact OE2-NH1 3.02Å; E54-R136 IonicContact OE2-NH2 2.82Å; E54-R136 PolarHBondContact OE2-NH2 2.99Å |
| 55 | T | 97.4 | Very high | 97.1 | Very high | 28 Ų | 28 | 31 Ų | 31 | 17% | 0.172 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -11.1 | 173.2 | 62.7 | 0 | 0 | 0 | 0 | 113.2 | L53 C57 V98 P100 N108 | L53-T55 PolarHBondContact O-N 2.99Å; L53-T55 VanDerWaalsContact O-N 3.1Å; T55-C57 PolarHBondContact O-N 3.48Å; T55-V98 HydrophobicContact CG2-CG1 4.39Å; T55-P100 HydrophobicContact CG2-CG 4.04Å; T55-N108 PolarHBondContact O-ND2 2.84Å; T55-N108 VanDerWaalsContact O-ND2 3.09Å |
| 56 | G | 97.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.15 | C | C | . | . | S | Bend | trans | 69.2 | -9.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | L53 E54 A58 L59 C60 | L53-G56 PolarHBondContact O-N 3.38Å; E54-G56 PolarHBondContact O-N 3.3Å; G56-A58 PolarHBondContact O-N 2.87Å; G56-L59 WeakPolarHBondContact O-CB 3.35Å; G56-L59 PolarHBondContact O-N 2.81Å; G56-C60 PolarHBondContact O-N 2.07Å; G56-C60 PolarHBondContact O-SG 3.25Å |
| 57 | C | 97.8 | Very high | 97.4 | Very high | 13 Ų | 13 | 27.7 Ų | 27.7 | 9% | 0.088 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.9 | -44.3 | -173.3 | -67.2 | 0 | 0 | 0 | 0 | 112.4 | T55 L59 R61 F93 Q94 N108 | T55-C57 PolarHBondContact O-N 3.48Å; C57-L59 VanDerWaalsContact C-N 3.31Å; C57-L59 PolarHBondContact O-N 3.05Å; C57-R61 WeakPolarHBondContact O-CB 3.46Å; C57-R61 WeakPolarHBondContact O-CG 3.13Å; C57-R61 PolarHBondContact O-N 3.11Å; C57-R61 VanDerWaalsContact O-N 3.08Å; C57-F93 HydrophobicContact CB-CE2 4.31Å; C57-Q94 PolarHBondContact SG-O 2.9Å; C57-Q94 VanDerWaalsContact SG-O 3.33Å; C57-N108 PolarHBondContact SG-ND2 3.12Å |
| 58 | A | 97.8 | Very high | 97.5 | Very high | 10 Ų | 10 | 27.6 Ų | 27.6 | 8% | 0.083 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.2 | -37.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L42 L53 G56 R61 H62 | L42-A58 HydrophobicContact CD2-CB 3.94Å; L53-A58 HydrophobicContact CD2-CB 3.61Å; G56-A58 PolarHBondContact O-N 2.87Å; A58-R61 PolarHBondContact O-N 2.8Å; A58-H62 WeakPolarHBondContact O-CB 3.42Å; A58-H62 PolarHBondContact O-N 2.84Å |
| 59 | L | 98.4 | Very high | 97.5 | Very high | 3 Ų | 3 | 25.5 Ų | 25.5 | 2% | 0.016 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -65.8 | -48.1 | 179.1 | -57.3 | 178.3 | 0 | 0 | 0 | 111.7 | L53 G56 C57 R61 H62 A63 F112 L133 F142 L146 | L53-L59 HydrophobicContact CD1-CD2 4.39Å; L53-L59 HydrophobicContact CD2-CD2 4.32Å; G56-L59 WeakPolarHBondContact O-CB 3.35Å; G56-L59 PolarHBondContact O-N 2.81Å; C57-L59 VanDerWaalsContact C-N 3.31Å; C57-L59 PolarHBondContact O-N 3.05Å; L59-R61 VanDerWaalsContact C-N 3.33Å; L59-R61 PolarHBondContact O-N 2.95Å; L59-H62 WeakPolarHBondContact O-CB 3.48Å; L59-H62 PolarHBondContact O-N 3.42Å; L59-H62 VanDerWaalsContact O-N 3.17Å; L59-A63 PolarHBondContact O-N 2.92Å; L59-F112 HydrophobicContact CB-CB 4.29Å; L59-F112 HydrophobicContact CB-CD1 3.96Å; L59-F112 HydrophobicContact CB-CD2 3.73Å; L59-F112 HydrophobicContact CB-CE1 4.16Å; L59-F112 HydrophobicContact CB-CE2 3.96Å; L59-F112 HydrophobicContact CB-CG 3.72Å; L59-F112 HydrophobicContact CB-CZ 4.16Å; L59-F112 HydrophobicContact CD1-CD1 4.04Å; L59-F112 HydrophobicContact CD1-CE1 4.24Å; L59-F112 HydrophobicContact CD2-CE1 4.4Å; L59-F112 HydrophobicContact CD2-CZ 4.41Å; L59-F112 WeakPolarHBondContact O-CD2 3.48Å; L59-F112 WeakPolarHBondContact O-CE2 3.41Å; L59-L133 HydrophobicContact CD1-CD2 3.64Å; L59-F142 HydrophobicContact CD1-CE2 3.75Å; L59-F142 HydrophobicContact CD1-CZ 4.09Å; L59-F142 HydrophobicContact CD2-CE2 4.18Å; L59-F142 HydrophobicContact CD2-CZ 4.04Å; L59-L146 HydrophobicContact CD2-CD1 4.24Å |
| 60 | C | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64.8 | -37.1 | 177.2 | -57.5 | 0 | 0 | 0 | 0 | 112.2 | G56 H62 A63 N64 V91 F93 N108 | G56-C60 PolarHBondContact O-N 2.07Å; G56-C60 PolarHBondContact O-SG 3.25Å; C60-H62 VanDerWaalsContact C-N 3.34Å; C60-A63 PolarHBondContact O-N 2.78Å; C60-N64 PolarHBondContact O-N 2.84Å; C60-N64 VanDerWaalsContact O-N 3.12Å; C60-V91 HydrophobicContact CB-CB 4.35Å; C60-V91 HydrophobicContact CB-CG1 4.01Å; C60-F93 HydrophobicContact CB-CB 3.63Å; C60-F93 HydrophobicContact CB-CD1 3.34Å; C60-F93 HydrophobicContact CB-CD2 3.83Å; C60-F93 HydrophobicContact CB-CE1 3.91Å; C60-F93 HydrophobicContact CB-CE2 4.33Å; C60-F93 HydrophobicContact CB-CG 3.31Å; C60-F93 HydrophobicContact CB-CZ 4.38Å; C60-N108 PolarHBondContact SG-O 3.47Å |
| 61 | R | 98.1 | Very high | 97.4 | Very high | 132 Ų | 132 | 30 Ų | 30 | 50% | 0.498 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -63.1 | -40.4 | 172.3 | -75.6 | -173.4 | -62.4 | -159.1 | 3.6 | 112.4 | C57 A58 L59 T65 F93 | C57-R61 WeakPolarHBondContact O-CB 3.46Å; C57-R61 WeakPolarHBondContact O-CG 3.13Å; C57-R61 PolarHBondContact O-N 3.11Å; C57-R61 VanDerWaalsContact O-N 3.08Å; A58-R61 PolarHBondContact O-N 2.8Å; L59-R61 VanDerWaalsContact C-N 3.33Å; L59-R61 PolarHBondContact O-N 2.95Å; R61-T65 PolarHBondContact O-N 3.13Å; R61-T65 PolarHBondContact O-OG1 3.36Å; R61-F93 HydrophobicContact CG-CE1 4.21Å; R61-F93 HydrophobicContact CG-CE2 4.09Å; R61-F93 HydrophobicContact CG-CZ 3.43Å; R61-F93 VanDerWaalsContact CG-CZ 3.43Å |
| 62 | H | 98.3 | Very high | 97.4 | Very high | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.5 | -48.4 | 175.6 | 179.4 | 73.2 | 0 | 0 | 0 | 110.7 | W35 Y40 A58 L59 C60 N64 T65 V66 | W35-H62 AromaticContact CH2-CE1 3.21Å; W35-H62 WeakPolarHBondContact CH2-CE1 3.38Å; W35-H62 AromaticContact CH2-NE2 3.37Å; W35-H62 WeakPolarHBondContact CH2-NE2 3.4Å; W35-H62 AromaticContact CZ2-CE1 3.41Å; W35-H62 VanDerWaalsContact CZ2-CE1 3.41Å; W35-H62 WeakPolarHBondContact CZ2-CE1 3.27Å; W35-H62 AromaticContact CZ2-NE2 3.91Å; Y40-H62 HydrophobicContact CE2-CB 4.13Å; Y40-H62 AromaticContact CE2-ND1 3.42Å; Y40-H62 WeakPolarHBondContact CE2-ND1 3.25Å; Y40-H62 AromaticContact CZ-ND1 3.47Å; Y40-H62 PolarHBondContact OH-ND1 3.35Å; A58-H62 WeakPolarHBondContact O-CB 3.42Å; A58-H62 PolarHBondContact O-N 2.84Å; L59-H62 WeakPolarHBondContact O-CB 3.48Å; L59-H62 PolarHBondContact O-N 3.42Å; L59-H62 VanDerWaalsContact O-N 3.17Å; C60-H62 VanDerWaalsContact C-N 3.34Å; H62-N64 PolarHBondContact O-N 3.22Å; H62-T65 CarbonylContact O-C 3.58Å; H62-T65 WeakPolarHBondContact O-CA 3.37Å; H62-T65 VanDerWaalsContact O-CB 3.31Å; H62-T65 WeakPolarHBondContact O-CB 3.28Å; H62-T65 PolarHBondContact O-N 2.85Å; H62-V66 WeakPolarHBondContact NE2-CG2 3.41Å; H62-V66 WeakPolarHBondContact O-CG2 3.49Å; H62-V66 PolarHBondContact O-N 3.24Å |
| 63 | A | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -52.7 | -48.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | L59 C60 T65 V66 N67 V91 F112 W115 | L59-A63 PolarHBondContact O-N 2.92Å; C60-A63 PolarHBondContact O-N 2.78Å; A63-T65 PolarHBondContact O-N 3.46Å; A63-V66 WeakPolarHBondContact O-CB 3.48Å; A63-V66 PolarHBondContact O-N 2.86Å; A63-V66 VanDerWaalsContact O-N 3.11Å; A63-N67 PolarHBondContact O-N 2.91Å; A63-N67 PolarHBondContact O-OD1 3.28Å; A63-V91 HydrophobicContact CB-CB 4.48Å; A63-V91 HydrophobicContact CB-CG2 3.56Å; A63-F112 HydrophobicContact CB-CD2 3.95Å; A63-F112 HydrophobicContact CB-CE2 4.06Å; A63-W115 HydrophobicContact CB-CD2 3.54Å; A63-W115 HydrophobicContact CB-CE3 3.52Å; A63-W115 HydrophobicContact CB-CG 4.18Å; A63-W115 HydrophobicContact CB-CH2 3.83Å; A63-W115 HydrophobicContact CB-CZ2 3.86Å; A63-W115 HydrophobicContact CB-CZ3 3.67Å; A63-W115 WeakPolarHBondContact O-CZ2 3.35Å |
| 64 | N | 98.3 | Very high | 97.1 | Very high | 27 Ų | 27 | 34 Ų | 34 | 14% | 0.144 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -68.1 | -25.6 | 178.2 | -63.1 | -4.2 | 0 | 0 | 0 | 112.4 | C60 H62 R68 D90 V91 | C60-N64 PolarHBondContact O-N 2.84Å; C60-N64 VanDerWaalsContact O-N 3.12Å; H62-N64 PolarHBondContact O-N 3.22Å; N64-R68 PolarHBondContact O-N 2.83Å; N64-D90 WeakPolarHBondContact OD1-CA 3.48Å; N64-V91 PolarHBondContact ND2-O 3.49Å; N64-V91 WeakPolarHBondContact OD1-CB 3.41Å; N64-V91 PolarHBondContact OD1-N 2.7Å |
| 65 | T | 97.9 | Very high | 96.9 | Very high | 29 Ų | 29 | 37.1 Ų | 37.1 | 18% | 0.178 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -72.8 | -38.5 | 171.8 | -60.8 | 0 | 0 | 0 | 0 | 111.7 | Y40 R61 H62 A63 N67 R68 A69 M158 | Y40-T65 HydrophobicContact CE1-CG2 4.16Å; R61-T65 PolarHBondContact O-N 3.13Å; R61-T65 PolarHBondContact O-OG1 3.36Å; H62-T65 CarbonylContact O-C 3.58Å; H62-T65 WeakPolarHBondContact O-CA 3.37Å; H62-T65 VanDerWaalsContact O-CB 3.31Å; H62-T65 WeakPolarHBondContact O-CB 3.28Å; H62-T65 PolarHBondContact O-N 2.85Å; A63-T65 PolarHBondContact O-N 3.46Å; T65-N67 VanDerWaalsContact C-N 3.35Å; T65-R68 PolarHBondContact O-N 2.9Å; T65-R68 PolarHBondContact OG1-NH2 3.48Å; T65-R68 VanDerWaalsContact OG1-NH2 3.15Å; T65-A69 PolarHBondContact O-N 3.24Å; T65-M158 HydrophobicContact CG2-CE 3.95Å |
| 66 | V | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.4 | -44.3 | 172.9 | 177.7 | 0 | 0 | 0 | 0 | 110.7 | H62 A63 R68 A69 A70 P87 W115 L120 F156 M158 | H62-V66 WeakPolarHBondContact NE2-CG2 3.41Å; H62-V66 WeakPolarHBondContact O-CG2 3.49Å; H62-V66 PolarHBondContact O-N 3.24Å; A63-V66 WeakPolarHBondContact O-CB 3.48Å; A63-V66 PolarHBondContact O-N 2.86Å; A63-V66 VanDerWaalsContact O-N 3.11Å; V66-R68 VanDerWaalsContact C-N 3.33Å; V66-R68 PolarHBondContact O-N 3.04Å; V66-A69 PolarHBondContact O-N 3.23Å; V66-A70 WeakPolarHBondContact O-CB 3.23Å; V66-A70 PolarHBondContact O-N 3.27Å; V66-P87 HydrophobicContact CG1-CG 4.28Å; V66-W115 HydrophobicContact CB-CH2 3.8Å; V66-W115 HydrophobicContact CB-CZ2 3.96Å; V66-W115 HydrophobicContact CG1-CH2 3.92Å; V66-W115 HydrophobicContact CG1-CZ2 4.08Å; V66-W115 HydrophobicContact CG2-CH2 4.07Å; V66-L120 HydrophobicContact CG1-CD2 4.12Å; V66-F156 HydrophobicContact CG1-CD2 3.97Å; V66-F156 HydrophobicContact CG1-CE2 4.12Å; V66-M158 VanDerWaalsContact CA-SD 3.58Å; V66-M158 HydrophobicContact CB-SD 3.96Å; V66-M158 HydrophobicContact CG1-SD 4.33Å; V66-M158 HydrophobicContact CG2-CE 4.08Å; V66-M158 HydrophobicContact CG2-SD 3.48Å; V66-M158 WeakPolarHBondContact CG2-SD 3.37Å |
| 67 | N | 97.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -57.3 | -46 | 174.8 | -66.1 | -13.5 | 0 | 0 | 0 | 112 | A63 T65 A70 Q71 P87 K89 D90 W115 | A63-N67 PolarHBondContact O-N 2.91Å; A63-N67 PolarHBondContact O-OD1 3.28Å; T65-N67 VanDerWaalsContact C-N 3.35Å; N67-A70 PolarHBondContact O-N 2.93Å; N67-Q71 WeakPolarHBondContact O-CG 3.43Å; N67-Q71 PolarHBondContact O-N 3.46Å; N67-P87 WeakPolarHBondContact OD1-CB 3.29Å; N67-K89 PolarHBondContact ND2-O 3.47Å; N67-D90 WeakPolarHBondContact ND2-CA 3.42Å; N67-D90 PolarHBondContact ND2-N 3.32Å; N67-D90 PolarHBondContact ND2-OD1 3.13Å; N67-W115 WeakPolarHBondContact OD1-CZ2 3.23Å; N67-W115 PolarHBondContact OD1-NE1 2.84Å |
| 68 | R | 97.1 | Very high | 95.7 | Very high | 118 Ų | 118 | 50.4 Ų | 50.4 | 45% | 0.445 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.5 | -44.5 | 178.1 | -178.8 | 173 | 59.1 | -97.2 | -1.7 | 111.8 | N64 T65 V66 A70 Q71 E72 | N64-R68 PolarHBondContact O-N 2.83Å; T65-R68 PolarHBondContact O-N 2.9Å; T65-R68 PolarHBondContact OG1-NH2 3.48Å; T65-R68 VanDerWaalsContact OG1-NH2 3.15Å; V66-R68 VanDerWaalsContact C-N 3.33Å; V66-R68 PolarHBondContact O-N 3.04Å; R68-A70 VanDerWaalsContact C-N 3.29Å; R68-A70 PolarHBondContact O-N 2.79Å; R68-Q71 WeakPolarHBondContact O-CB 3.46Å; R68-Q71 PolarHBondContact O-N 3.34Å; R68-Q71 VanDerWaalsContact O-N 3.15Å; R68-E72 WeakPolarHBondContact CG-OE1 3.31Å; R68-E72 WeakPolarHBondContact O-CG 3.41Å; R68-E72 PolarHBondContact O-N 2.97Å |
| 69 | A | 96.4 | Very high | 95.2 | Very high | 13 Ų | 13 | 56.3 Ų | 56.3 | 11% | 0.107 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60 | -40.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | T65 V66 Q71 E72 F73 F156 M158 | T65-A69 PolarHBondContact O-N 3.24Å; V66-A69 PolarHBondContact O-N 3.23Å; A69-Q71 PolarHBondContact O-N 3.42Å; A69-E72 PolarHBondContact O-N 2.94Å; A69-F73 WeakPolarHBondContact O-CB 3.49Å; A69-F73 PolarHBondContact O-N 2.9Å; A69-F156 HydrophobicContact CB-CB 4.5Å; A69-M158 HydrophobicContact CB-CG 3.56Å; A69-M158 HydrophobicContact CB-SD 3.97Å |
| 70 | A | 96.2 | Very high | 94.6 | Very high | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.008 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65 | -36.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | V66 N67 R68 Q74 L86 P87 F156 | V66-A70 WeakPolarHBondContact O-CB 3.23Å; V66-A70 PolarHBondContact O-N 3.27Å; N67-A70 PolarHBondContact O-N 2.93Å; R68-A70 VanDerWaalsContact C-N 3.29Å; R68-A70 PolarHBondContact O-N 2.79Å; A70-Q74 WeakPolarHBondContact O-CB 3.35Å; A70-Q74 PolarHBondContact O-N 3.05Å; A70-L86 HydrophobicContact CB-CD2 4.16Å; A70-P87 HydrophobicContact CB-CG 3.72Å; A70-F156 HydrophobicContact CB-CB 4.31Å; A70-F156 HydrophobicContact CB-CD1 4.31Å; A70-F156 HydrophobicContact CB-CD2 3.92Å; A70-F156 HydrophobicContact CB-CE2 4.34Å; A70-F156 HydrophobicContact CB-CG 3.91Å |
| 71 | Q | 95.1 | Very high | 94.1 | Very high | 98 Ų | 98 | 57.3 Ų | 57.3 | 46% | 0.458 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -69.4 | -44.7 | 174.8 | -70.8 | 172 | 3.6 | 0 | 0 | 111.9 | N67 R68 A69 F73 Q74 S75 | N67-Q71 WeakPolarHBondContact O-CG 3.43Å; N67-Q71 PolarHBondContact O-N 3.46Å; R68-Q71 WeakPolarHBondContact O-CB 3.46Å; R68-Q71 PolarHBondContact O-N 3.34Å; R68-Q71 VanDerWaalsContact O-N 3.15Å; A69-Q71 PolarHBondContact O-N 3.42Å; Q71-F73 VanDerWaalsContact C-N 3.34Å; Q71-Q74 PolarHBondContact O-N 3.2Å; Q71-S75 PolarHBondContact O-N 3.46Å |
| 72 | E | 94.9 | Very high | 93.6 | Very high | 100 Ų | 100 | 57.5 Ų | 57.5 | 47% | 0.467 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -58.5 | -48.8 | 174.5 | -72.7 | 169 | -173.1 | 0 | 0 | 110 | R68 A69 Q74 S75 E76 | R68-E72 WeakPolarHBondContact CG-OE1 3.31Å; R68-E72 WeakPolarHBondContact O-CG 3.41Å; R68-E72 PolarHBondContact O-N 2.97Å; A69-E72 PolarHBondContact O-N 2.94Å; E72-Q74 VanDerWaalsContact C-N 3.33Å; E72-Q74 PolarHBondContact O-N 3.37Å; E72-S75 PolarHBondContact O-N 2.86Å; E72-S75 PolarHBondContact O-OG 2.77Å; E72-E76 PolarHBondContact O-N 3.14Å |
| 73 | F | 93.8 | Very high | 93 | Very high | 8 Ų | 8 | 62.4 Ų | 62.4 | 4% | 0.035 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -54 | -45.9 | 174 | 174.2 | -92.7 | 0 | 0 | 0 | 113 | A69 Q71 S75 E76 N77 A80 A81 M84 L86 F156 W197 | A69-F73 WeakPolarHBondContact O-CB 3.49Å; A69-F73 PolarHBondContact O-N 2.9Å; Q71-F73 VanDerWaalsContact C-N 3.34Å; F73-S75 VanDerWaalsContact C-N 3.28Å; F73-S75 PolarHBondContact O-N 2.67Å; F73-E76 PolarHBondContact O-N 2.93Å; F73-N77 HydrophobicContact CE2-CB 4.47Å; F73-N77 WeakPolarHBondContact O-CB 3.46Å; F73-N77 PolarHBondContact O-N 3Å; F73-A80 HydrophobicContact CZ-CB 4.31Å; F73-A81 HydrophobicContact CD1-CB 4.44Å; F73-A81 HydrophobicContact CE1-CB 4.15Å; F73-M84 HydrophobicContact CE1-SD 3.81Å; F73-M84 HydrophobicContact CZ-SD 3.71Å; F73-L86 HydrophobicContact CD1-CD2 3.97Å; F73-L86 HydrophobicContact CE1-CD2 4.31Å; F73-F156 HydrophobicContact CB-CB 4.41Å; F73-W197 AromaticContact CE2-CD1 3.86Å; F73-W197 AromaticContact CE2-CD2 3.49Å; F73-W197 HydrophobicContact CE2-CD2 3.49Å; F73-W197 VanDerWaalsContact CE2-CD2 3.49Å; F73-W197 AromaticContact CE2-CE2 3.22Å; F73-W197 HydrophobicContact CE2-CE3 4.08Å; F73-W197 AromaticContact CE2-CG 3.96Å; F73-W197 HydrophobicContact CE2-CG 3.96Å; F73-W197 HydrophobicContact CE2-CH2 4.38Å; F73-W197 AromaticContact CE2-CZ2 3.72Å; F73-W197 HydrophobicContact CE2-CZ2 3.72Å; F73-W197 HydrophobicContact CE2-CZ3 4.49Å; F73-W197 AromaticContact CE2-NE1 3.4Å; F73-W197 HydrophobicContact CZ-CD2 4.17Å; F73-W197 AromaticContact CZ-CE2 3.44Å; F73-W197 VanDerWaalsContact CZ-CE2 3.44Å; F73-W197 AromaticContact CZ-CZ2 3.81Å; F73-W197 HydrophobicContact CZ-CZ2 3.81Å; F73-W197 AromaticContact CZ-NE1 3.28Å; F73-W197 VanDerWaalsContact CZ-NE1 3.28Å |
| 74 | Q | 94.1 | Very high | 92.5 | Very high | 104 Ų | 104 | 65.2 Ų | 65.2 | 49% | 0.486 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.3 | -36.9 | 178.1 | -178.3 | 173 | 49.5 | 0 | 0 | 112.4 | A70 Q71 E72 A81 L86 | A70-Q74 WeakPolarHBondContact O-CB 3.35Å; A70-Q74 PolarHBondContact O-N 3.05Å; Q71-Q74 PolarHBondContact O-N 3.2Å; E72-Q74 VanDerWaalsContact C-N 3.33Å; E72-Q74 PolarHBondContact O-N 3.37Å; Q74-A81 HydrophobicContact CB-CB 4.12Å; Q74-A81 HydrophobicContact CG-CB 3.91Å; Q74-L86 HydrophobicContact CB-CD1 3.88Å; Q74-L86 HydrophobicContact CG-CD1 4.09Å |
| 75 | S | 92.8 | Very high | 92.1 | Very high | 94 Ų | 94 | 71 Ų | 71 | 66% | 0.657 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -72.1 | -37.1 | -180 | 76 | 0 | 0 | 0 | 0 | 112.7 | Q71 E72 F73 | Q71-S75 PolarHBondContact O-N 3.46Å; E72-S75 PolarHBondContact O-N 2.86Å; E72-S75 PolarHBondContact O-OG 2.77Å; F73-S75 VanDerWaalsContact C-N 3.28Å; F73-S75 PolarHBondContact O-N 2.67Å |
| 76 | E | 92.4 | Very high | 91.9 | Very high | 149 Ų | 149 | 71 Ų | 71 | 70% | 0.696 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -78.8 | -32.9 | 179.6 | -68.5 | 179.6 | 177 | 0 | 0 | 111.7 | E72 F73 | E72-E76 PolarHBondContact O-N 3.14Å; F73-E76 PolarHBondContact O-N 2.93Å |
| 77 | N | 88.2 | Confident | 91.8 | Very high | 40 Ų | 40 | 71.1 Ų | 71.1 | 21% | 0.214 | 35% | 0.354 | C | S | . | . | trans | -135.8 | 61.5 | -165.2 | -55.8 | -65.9 | 0 | 0 | 0 | 112.8 | F73 E79 A80 A81 W197 | F73-N77 HydrophobicContact CE2-CB 4.47Å; F73-N77 WeakPolarHBondContact O-CB 3.46Å; F73-N77 PolarHBondContact O-N 3Å; N77-E79 VanDerWaalsContact C-N 3.34Å; N77-E79 PolarHBondContact O-N 2.96Å; N77-A80 PolarHBondContact O-N 3.17Å; N77-A81 WeakPolarHBondContact O-CB 3.2Å; N77-A81 PolarHBondContact O-N 2.87Å; N77-W197 HydrophobicContact CB-CH2 3.29Å; N77-W197 HydrophobicContact CB-CZ2 3.53Å; N77-W197 HydrophobicContact CB-CZ3 4.15Å; N77-W197 WeakPolarHBondContact ND2-CH2 3.48Å; N77-W197 WeakPolarHBondContact ND2-CZ3 3.48Å; N77-W197 WeakPolarHBondContact OD1-CH2 3.3Å; N77-W197 WeakPolarHBondContact OD1-CZ3 3.33Å | ||
| 78 | Q | 87.1 | Confident | 91.6 | Very high | 131 Ų | 131 | 74.6 Ų | 74.6 | 61% | 0.612 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -59.4 | -36.3 | -170.1 | -164.6 | 175.7 | 4.8 | 0 | 0 | 114.5 | K82 | Q78-K82 WeakPolarHBondContact O-CG 3.46Å; Q78-K82 PolarHBondContact O-N 3.34Å |
| 79 | E | 87.1 | Confident | 91.5 | Very high | 134 Ų | 134 | 75 Ų | 75 | 63% | 0.626 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -70.6 | -43.8 | -179.6 | -66.1 | -52.2 | 137.5 | 0 | 0 | 112.7 | N77 A81 K82 | N77-E79 VanDerWaalsContact C-N 3.34Å; N77-E79 PolarHBondContact O-N 2.96Å; E79-A81 VanDerWaalsContact C-N 3.33Å; E79-K82 PolarHBondContact O-N 3.19Å; E79-K82 IonicContact OE1-NZ 3.03Å; E79-K82 PolarHBondContact OE1-NZ 2.91Å; E79-K82 IonicContact OE2-NZ 2.64Å; E79-K82 PolarHBondContact OE2-NZ 3.15Å |
| 80 | A | 85.3 | Confident | 91.6 | Very high | 18 Ų | 18 | 79.2 Ų | 79.2 | 15% | 0.149 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -68.9 | -34.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | F73 N77 K82 S83 M84 W197 | F73-A80 HydrophobicContact CZ-CB 4.31Å; N77-A80 PolarHBondContact O-N 3.17Å; A80-K82 PolarHBondContact O-N 3Å; A80-S83 PolarHBondContact O-N 3.35Å; A80-S83 PolarHBondContact O-OG 2.93Å; A80-M84 WeakPolarHBondContact O-CG 3.46Å; A80-M84 PolarHBondContact O-N 3.06Å; A80-W197 HydrophobicContact CB-CZ2 3.45Å; A80-W197 VanDerWaalsContact CB-CZ2 3.45Å |
| 81 | A | 88 | Confident | 91.6 | Very high | 6 Ų | 6 | 79.7 Ų | 79.7 | 5% | 0.05 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -60.5 | -32.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | F73 Q74 N77 E79 S83 M84 L86 | F73-A81 HydrophobicContact CD1-CB 4.44Å; F73-A81 HydrophobicContact CE1-CB 4.15Å; Q74-A81 HydrophobicContact CB-CB 4.12Å; Q74-A81 HydrophobicContact CG-CB 3.91Å; N77-A81 WeakPolarHBondContact O-CB 3.2Å; N77-A81 PolarHBondContact O-N 2.87Å; E79-A81 VanDerWaalsContact C-N 3.33Å; A81-S83 VanDerWaalsContact C-N 3.29Å; A81-S83 PolarHBondContact O-N 3.06Å; A81-M84 PolarHBondContact O-N 3.32Å; A81-L86 HydrophobicContact CB-CD1 3.85Å |
| 82 | K | 87.6 | Confident | 91.7 | Very high | 137 Ų | 137 | 81 Ų | 81 | 60% | 0.596 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -65.9 | -29.2 | 177.3 | -72.4 | 168.9 | -167.2 | 169.3 | 0 | 113.2 | Q78 E79 A80 M84 | Q78-K82 WeakPolarHBondContact O-CG 3.46Å; Q78-K82 PolarHBondContact O-N 3.34Å; E79-K82 PolarHBondContact O-N 3.19Å; E79-K82 IonicContact OE1-NZ 3.03Å; E79-K82 PolarHBondContact OE1-NZ 2.91Å; E79-K82 IonicContact OE2-NZ 2.64Å; E79-K82 PolarHBondContact OE2-NZ 3.15Å; A80-K82 PolarHBondContact O-N 3Å; K82-M84 VanDerWaalsContact C-N 3.35Å |
| 83 | S | 86.6 | Confident | 91.9 | Very high | 104 Ų | 104 | 78.3 Ų | 78.3 | 73% | 0.727 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -88.1 | -5 | 178.7 | 63.2 | 0 | 0 | 0 | 0 | 113.2 | A80 A81 | A80-S83 PolarHBondContact O-N 3.35Å; A80-S83 PolarHBondContact O-OG 2.93Å; A81-S83 VanDerWaalsContact C-N 3.29Å; A81-S83 PolarHBondContact O-N 3.06Å |
| 84 | M | 87.3 | Confident | 92 | Very high | 58 Ų | 58 | 81.9 Ų | 81.9 | 29% | 0.286 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -112.3 | 151 | -175.7 | -64.9 | 177.5 | 73.9 | 0 | 0 | 112.1 | F73 A80 A81 K82 K155 F156 | F73-M84 HydrophobicContact CE1-SD 3.81Å; F73-M84 HydrophobicContact CZ-SD 3.71Å; A80-M84 WeakPolarHBondContact O-CG 3.46Å; A80-M84 PolarHBondContact O-N 3.06Å; A81-M84 PolarHBondContact O-N 3.32Å; K82-M84 VanDerWaalsContact C-N 3.35Å; M84-K155 HydrophobicContact CE-CB 3.8Å; M84-F156 HydrophobicContact CE-CD1 4.29Å; M84-F156 HydrophobicContact CE-CE1 4.04Å |
| 85 | K | 90.4 | Very high | 92 | Very high | 149 Ų | 149 | 80.5 Ų | 80.5 | 65% | 0.648 | 43% | 0.426 | S | S | * | . | trans | -88.4 | 121.2 | 167.1 | -64.5 | -174.5 | 179.9 | 178.2 | 0 | 108.9 | W121 | K85-W121 HydrophobicContact CB-CD2 4.5Å; K85-W121 HydrophobicContact CB-CE3 3.89Å; K85-W121 HydrophobicContact CB-CH2 3.63Å; K85-W121 HydrophobicContact CB-CZ2 4.23Å; K85-W121 HydrophobicContact CB-CZ3 3.41Å; K85-W121 VanDerWaalsContact CB-CZ3 3.41Å; K85-W121 HydrophobicContact CD-CD2 4.14Å; K85-W121 HydrophobicContact CD-CE3 4.31Å; K85-W121 HydrophobicContact CD-CH2 4.47Å; K85-W121 HydrophobicContact CD-CZ2 4.27Å; K85-W121 HydrophobicContact CD-CZ3 4.47Å | ||
| 86 | L | 93.4 | Very high | 92.1 | Very high | 30 Ų | 30 | 85 Ų | 85 | 16% | 0.157 | 43% | 0.429 | C | S | . | . | trans | -111.2 | 133.6 | -174.9 | -64 | 167.4 | 0 | 0 | 0 | 110.8 | A70 F73 Q74 A81 F156 | A70-L86 HydrophobicContact CB-CD2 4.16Å; F73-L86 HydrophobicContact CD1-CD2 3.97Å; F73-L86 HydrophobicContact CE1-CD2 4.31Å; Q74-L86 HydrophobicContact CB-CD1 3.88Å; Q74-L86 HydrophobicContact CG-CD1 4.09Å; A81-L86 HydrophobicContact CB-CD1 3.85Å; L86-F156 HydrophobicContact CD2-CD1 3.68Å; L86-F156 HydrophobicContact CD2-CE1 3.51Å; L86-F156 HydrophobicContact CD2-CZ 4.36Å | ||
| 87 | P | 96.1 | Very high | 92.2 | Very high | 2 Ų | 2 | 85 Ų | 85 | 1% | 0.013 | 43% | 0.434 | C | S | . | . | trans | -69.6 | 145.7 | 171.7 | 32 | -36.9 | 0 | 0 | 0 | 110.3 | V66 N67 A70 W115 E119 L120 F156 | V66-P87 HydrophobicContact CG1-CG 4.28Å; N67-P87 WeakPolarHBondContact OD1-CB 3.29Å; A70-P87 HydrophobicContact CB-CG 3.72Å; P87-W115 HydrophobicContact CB-CZ2 4.47Å; P87-E119 HydrophobicContact CB-CB 3.83Å; P87-E119 WeakPolarHBondContact CB-O 3.37Å; P87-L120 HydrophobicContact CB-CD2 4.29Å; P87-L120 HydrophobicContact CG-CD2 4.07Å; P87-F156 VanDerWaalsContact CD-CZ 3.48Å; P87-F156 HydrophobicContact CG-CD2 4.42Å; P87-F156 HydrophobicContact CG-CE2 3.77Å; P87-F156 HydrophobicContact CG-CZ 4.25Å | ||
| 88 | S | 94 | Very high | 92.5 | Very high | 72 Ų | 72 | 84.1 Ų | 84.1 | 50% | 0.503 | 43% | 0.43 | S | S | . | . | trans | -142 | -19.1 | -175.5 | 61.2 | 0 | 0 | 0 | 0 | 114.6 | E119 | S88-E119 PolarHBondContact N-OE2 3.23Š| ||
| 89 | K | 95.9 | Very high | 92.9 | Very high | 128 Ų | 128 | 83.6 Ų | 83.6 | 56% | 0.557 | 43% | 0.43 | S | S | * | . | P | Polyproline II helix | trans | -97.4 | 122.4 | -176.6 | -60.2 | -178.2 | -164.9 | 147 | 0 | 111.7 | N67 W115 E119 | N67-K89 PolarHBondContact ND2-O 3.47Å; K89-W115 VanDerWaalsContact O-CD1 3.26Å; K89-W115 PolarHBondContact O-NE1 3.49Å; K89-E119 HydrophobicContact CB-CG 4.21Å; K89-E119 WeakPolarHBondContact CD-OE1 3.43Å; K89-E119 PolarHBondContact N-OE2 2.98Å; K89-E119 IonicContact NZ-OE1 3.91Å |
| 90 | D | 96.5 | Very high | 93.4 | Very high | 101 Ų | 101 | 80.3 Ų | 80.3 | 54% | 0.54 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 143.4 | 174.8 | -78.8 | -6.7 | 0 | 0 | 0 | 112.6 | N64 N67 | N64-D90 WeakPolarHBondContact OD1-CA 3.48Å; N67-D90 WeakPolarHBondContact ND2-CA 3.42Å; N67-D90 PolarHBondContact ND2-N 3.32Å; N67-D90 PolarHBondContact ND2-OD1 3.13Å |
| 91 | V | 97.6 | Very high | 93.7 | Very high | 11 Ų | 11 | 81.1 Ų | 81.1 | 7% | 0.067 | 43% | 0.43 | C | S | . | . | P | Polyproline II helix | trans | -78.7 | 120.5 | 170.5 | -169.1 | 0 | 0 | 0 | 0 | 108.5 | C60 A63 N64 N111 W115 | C60-V91 HydrophobicContact CB-CB 4.35Å; C60-V91 HydrophobicContact CB-CG1 4.01Å; A63-V91 HydrophobicContact CB-CB 4.48Å; A63-V91 HydrophobicContact CB-CG2 3.56Å; N64-V91 PolarHBondContact ND2-O 3.49Å; N64-V91 WeakPolarHBondContact OD1-CB 3.41Å; N64-V91 PolarHBondContact OD1-N 2.7Å; V91-N111 HydrophobicContact CG1-CB 3.72Å; V91-W115 HydrophobicContact CG2-CB 3.44Å; V91-W115 VanDerWaalsContact CG2-CB 3.44Å; V91-W115 VanDerWaalsContact CG2-CD1 3.44Å; V91-W115 HydrophobicContact CG2-CD2 4.08Å; V91-W115 HydrophobicContact CG2-CG 3.36Å |
| 92 | V | 96.9 | Very high | 94.1 | Very high | 125 Ų | 125 | 82.2 Ų | 82.2 | 76% | 0.758 | 44% | 0.438 | S | S | * | . | P | Polyproline II helix | trans | -83.7 | 129.6 | 169.4 | -177.5 | 0 | 0 | 0 | 0 | 108.3 | N111 | V92-N111 PolarHBondContact O-ND2 3.36Š|
| 93 | F | 98.1 | Very high | 94.5 | Very high | 44 Ų | 44 | 84.3 Ų | 84.3 | 19% | 0.193 | 45% | 0.447 | C | S | . | . | trans | -151.4 | 155 | -177.4 | 73.8 | -79.4 | 0 | 0 | 0 | 111.3 | C57 C60 R61 N108 | C57-F93 HydrophobicContact CB-CE2 4.31Å; C60-F93 HydrophobicContact CB-CB 3.63Å; C60-F93 HydrophobicContact CB-CD1 3.34Å; C60-F93 HydrophobicContact CB-CD2 3.83Å; C60-F93 HydrophobicContact CB-CE1 3.91Å; C60-F93 HydrophobicContact CB-CE2 4.33Å; C60-F93 HydrophobicContact CB-CG 3.31Å; C60-F93 HydrophobicContact CB-CZ 4.38Å; R61-F93 HydrophobicContact CG-CE1 4.21Å; R61-F93 HydrophobicContact CG-CE2 4.09Å; R61-F93 HydrophobicContact CG-CZ 3.43Å; R61-F93 VanDerWaalsContact CG-CZ 3.43Å; F93-N108 WeakPolarHBondContact CB-OD1 3.25Å | ||
| 94 | Q | 97.4 | Very high | 95 | Very high | 82 Ų | 82 | 83.2 Ų | 83.2 | 38% | 0.383 | 43% | 0.433 | S | S | . | . | trans | -82.1 | 120.1 | 173.3 | 178.1 | 60.6 | -2.1 | 0 | 0 | 109.5 | C57 R96 V98 L104 N108 | C57-Q94 PolarHBondContact SG-O 2.9Å; C57-Q94 VanDerWaalsContact SG-O 3.33Å; Q94-R96 WeakPolarHBondContact CG-O 3.27Å; Q94-R96 PolarHBondContact NE2-O 2.84Å; Q94-V98 HydrophobicContact CB-CG2 4Å; Q94-V98 HydrophobicContact CG-CG2 3.62Å; Q94-V98 WeakPolarHBondContact O-CG2 3.35Å; Q94-L104 HydrophobicContact CG-CD1 4.49Å; Q94-N108 PolarHBondContact N-OD1 3.38Å; Q94-N108 PolarHBondContact O-ND2 3.46Å | ||
| 95 | S | 94 | Very high | 95.4 | Very high | 75 Ų | 75 | 80.5 Ų | 80.5 | 52% | 0.524 | 42% | 0.419 | S | S | . | . | trans | -100.3 | -12.6 | -175.1 | 58.1 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 96 | R | 93.8 | Very high | 95.8 | Very high | 189 Ų | 189 | 76.3 Ų | 76.3 | 71% | 0.713 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -122.3 | 144.7 | -174.9 | -63 | -176.1 | -178.7 | -178.6 | 0.4 | 111.1 | Q94 V98 | Q94-R96 WeakPolarHBondContact CG-O 3.27Å; Q94-R96 PolarHBondContact NE2-O 2.84Å; R96-V98 PolarHBondContact O-N 3.15Å |
| 97 | N | 94 | Very high | 96 | Very high | 149 Ų | 149 | 78.9 Ų | 78.9 | 80% | 0.797 | 41% | 0.413 | S | S | * | . | S | Bend | trans | 56.3 | 29.8 | 175.7 | -51.9 | -35.7 | 0 | 0 | 0 | 113.7 | ||
| 98 | V | 96.4 | Very high | 96.1 | Very high | 22 Ų | 22 | 78.8 Ų | 78.8 | 13% | 0.133 | 41% | 0.413 | C | S | . | . | trans | -85.1 | 118.1 | 174 | -176.9 | 0 | 0 | 0 | 0 | 108.3 | T55 Q94 R96 L104 A105 | T55-V98 HydrophobicContact CG2-CG1 4.39Å; Q94-V98 HydrophobicContact CB-CG2 4Å; Q94-V98 HydrophobicContact CG-CG2 3.62Å; Q94-V98 WeakPolarHBondContact O-CG2 3.35Å; R96-V98 PolarHBondContact O-N 3.15Å; V98-L104 HydrophobicContact CG1-CB 4.24Å; V98-L104 HydrophobicContact CG2-CB 4.45Å; V98-A105 HydrophobicContact CG1-CB 3.88Å | ||
| 99 | I | 95.6 | Very high | 96.3 | Very high | 119 Ų | 119 | 75.4 Ų | 75.4 | 61% | 0.61 | 39% | 0.389 | S | S | * | . | trans | -91.9 | 134.1 | 178.3 | -55.7 | 173.3 | 0 | 0 | 0 | 108 | S102 | I99-S102 WeakPolarHBondContact O-CB 3.44Å; I99-S102 PolarHBondContact O-N 3.04Å; I99-S102 VanDerWaalsContact O-N 3.14Å; I99-S102 PolarHBondContact O-OG 3.03Å | ||
| 100 | P | 95.8 | Very high | 96.5 | Very high | 66 Ų | 66 | 71.7 Ų | 71.7 | 43% | 0.429 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -41.4 | 139 | 164.7 | -38.3 | 42.8 | 0 | 0 | 0 | 114.3 | E54 T55 S102 | E54-P100 HydrophobicContact CG-CB 3.92Å; E54-P100 HydrophobicContact CG-CG 4.23Å; E54-P100 WeakPolarHBondContact OE1-CB 3.34Å; E54-P100 WeakPolarHBondContact OE1-CG 3.41Å; T55-P100 HydrophobicContact CG2-CG 4.04Å; P100-S102 PolarHBondContact O-N 3.33Å; P100-S102 VanDerWaalsContact O-N 3.08Å |
| 101 | G | 92.5 | Very high | 96.6 | Very high | 34 Ų | 34 | 69.2 Ų | 69.2 | 35% | 0.351 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.6 | -1.1 | 179 | 0 | 0 | 0 | 0 | 0 | 115.7 | R106 | G101-R106 PolarHBondContact O-NH1 3.13Š|
| 102 | S | 95.4 | Very high | 96.6 | Very high | 30 Ų | 30 | 68.8 Ų | 68.8 | 21% | 0.21 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -78 | 167.4 | 179.9 | 70 | 0 | 0 | 0 | 0 | 113.3 | I99 P100 L104 A105 R106 | I99-S102 WeakPolarHBondContact O-CB 3.44Å; I99-S102 PolarHBondContact O-N 3.04Å; I99-S102 VanDerWaalsContact O-N 3.14Å; I99-S102 PolarHBondContact O-OG 3.03Å; P100-S102 PolarHBondContact O-N 3.33Å; P100-S102 VanDerWaalsContact O-N 3.08Å; S102-L104 VanDerWaalsContact C-N 3.27Å; S102-L104 PolarHBondContact O-N 3.01Å; S102-L104 PolarHBondContact OG-N 3.35Å; S102-A105 WeakPolarHBondContact O-CB 3.35Å; S102-A105 PolarHBondContact O-N 2.94Å; S102-A105 PolarHBondContact OG-N 3.2Å; S102-A105 VanDerWaalsContact OG-N 3.16Å; S102-R106 PolarHBondContact O-N 3.01Å; S102-R106 VanDerWaalsContact O-N 3.09Å |
| 103 | F | 96 | Very high | 96.7 | Very high | 181 Ų | 181 | 63.5 Ų | 63.5 | 79% | 0.794 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -60.8 | -36 | 170.2 | -72.6 | -77.3 | 0 | 0 | 0 | 112.4 | R106 D107 | F103-R106 PolarHBondContact O-N 3.38Å; F103-D107 WeakPolarHBondContact O-CB 3.36Å; F103-D107 PolarHBondContact O-N 3.34Å |
| 104 | L | 97.2 | Very high | 96.7 | Very high | 81 Ų | 81 | 63.7 Ų | 63.7 | 42% | 0.424 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -66 | -38.2 | 176.1 | -66.4 | 174.1 | 0 | 0 | 0 | 111.9 | Q94 V98 S102 D107 N108 | Q94-L104 HydrophobicContact CG-CD1 4.49Å; V98-L104 HydrophobicContact CG1-CB 4.24Å; V98-L104 HydrophobicContact CG2-CB 4.45Å; S102-L104 VanDerWaalsContact C-N 3.27Å; S102-L104 PolarHBondContact O-N 3.01Å; S102-L104 PolarHBondContact OG-N 3.35Å; L104-D107 PolarHBondContact O-N 3.45Å; L104-N108 PolarHBondContact O-N 3.34Å |
| 105 | A | 97.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63 | -47.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111 | V98 S102 D107 N108 V109 | V98-A105 HydrophobicContact CG1-CB 3.88Å; S102-A105 WeakPolarHBondContact O-CB 3.35Å; S102-A105 PolarHBondContact O-N 2.94Å; S102-A105 PolarHBondContact OG-N 3.2Å; S102-A105 VanDerWaalsContact OG-N 3.16Å; A105-D107 VanDerWaalsContact C-N 3.32Å; A105-D107 PolarHBondContact O-N 3.35Å; A105-N108 PolarHBondContact O-N 3.13Å; A105-V109 VanDerWaalsContact O-CG2 3.29Å; A105-V109 WeakPolarHBondContact O-CG2 3.33Å; A105-V109 PolarHBondContact O-N 3.26Å |
| 106 | R | 97.8 | Very high | 97 | Very high | 61 Ų | 61 | 56.6 Ų | 56.6 | 23% | 0.23 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.8 | -39.3 | 175.9 | -71 | -173.5 | 180 | 81.2 | -3.7 | 112.4 | G101 S102 F103 V109 S110 V134 E135 | G101-R106 PolarHBondContact O-NH1 3.13Å; S102-R106 PolarHBondContact O-N 3.01Å; S102-R106 VanDerWaalsContact O-N 3.09Å; F103-R106 PolarHBondContact O-N 3.38Å; R106-V109 PolarHBondContact O-N 3.07Å; R106-S110 WeakPolarHBondContact O-CB 3.49Å; R106-S110 PolarHBondContact O-N 3.02Å; R106-V134 HydrophobicContact CG-CB 4.34Å; R106-V134 HydrophobicContact CG-CG1 4.06Å; R106-V134 HydrophobicContact CG-CG2 4.07Å; R106-E135 IonicContact CZ-OE1 3.48Å; R106-E135 IonicContact NE-OE1 2.9Å; R106-E135 IonicContact NH2-OE1 3.74Å; R106-E135 PolarHBondContact NH2-OE1 2.87Å |
| 107 | D | 98.1 | Very high | 97.2 | Very high | 85 Ų | 85 | 52.5 Ų | 52.5 | 46% | 0.455 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.2 | -47.4 | 177.8 | -169.1 | 59 | 0 | 0 | 0 | 111.9 | F103 L104 A105 V109 S110 N111 | F103-D107 WeakPolarHBondContact O-CB 3.36Å; F103-D107 PolarHBondContact O-N 3.34Å; L104-D107 PolarHBondContact O-N 3.45Å; A105-D107 VanDerWaalsContact C-N 3.32Å; A105-D107 PolarHBondContact O-N 3.35Å; D107-V109 VanDerWaalsContact C-N 3.33Å; D107-V109 PolarHBondContact O-N 3.45Å; D107-S110 WeakPolarHBondContact O-CB 3.42Å; D107-S110 PolarHBondContact O-N 3.1Å; D107-S110 VanDerWaalsContact O-N 3.16Å; D107-N111 VanDerWaalsContact O-CG 3.25Å; D107-N111 PolarHBondContact O-N 3.42Å; D107-N111 PolarHBondContact O-ND2 2.8Å |
| 108 | N | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -56 | -47.5 | 173.9 | -74.5 | -10.2 | 0 | 0 | 0 | 111.8 | T55 C57 C60 F93 Q94 L104 A105 S110 N111 F112 | T55-N108 PolarHBondContact O-ND2 2.84Å; T55-N108 VanDerWaalsContact O-ND2 3.09Å; C57-N108 PolarHBondContact SG-ND2 3.12Å; C60-N108 PolarHBondContact SG-O 3.47Å; F93-N108 WeakPolarHBondContact CB-OD1 3.25Å; Q94-N108 PolarHBondContact N-OD1 3.38Å; Q94-N108 PolarHBondContact O-ND2 3.46Å; L104-N108 PolarHBondContact O-N 3.34Å; A105-N108 PolarHBondContact O-N 3.13Å; N108-S110 VanDerWaalsContact C-N 3.34Å; N108-S110 PolarHBondContact O-N 3.3Å; N108-N111 PolarHBondContact O-N 2.93Å; N108-F112 PolarHBondContact O-N 3.39Å |
| 109 | V | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.4 | -40.5 | 178.6 | 178.1 | 0 | 0 | 0 | 0 | 111.1 | A105 R106 D107 N111 F112 I113 F128 T130 L133 V134 | A105-V109 VanDerWaalsContact O-CG2 3.29Å; A105-V109 WeakPolarHBondContact O-CG2 3.33Å; A105-V109 PolarHBondContact O-N 3.26Å; R106-V109 PolarHBondContact O-N 3.07Å; D107-V109 VanDerWaalsContact C-N 3.33Å; D107-V109 PolarHBondContact O-N 3.45Å; V109-N111 PolarHBondContact O-N 3.34Å; V109-F112 WeakPolarHBondContact O-CB 3.48Å; V109-F112 PolarHBondContact O-N 2.85Å; V109-I113 HydrophobicContact CG1-CD1 3.87Å; V109-I113 HydrophobicContact CG1-CG1 4.43Å; V109-I113 VanDerWaalsContact O-CG1 3.3Å; V109-I113 WeakPolarHBondContact O-CG1 3.48Å; V109-I113 PolarHBondContact O-N 2.93Å; V109-F128 HydrophobicContact CG1-CE2 3.63Å; V109-F128 HydrophobicContact CG1-CZ 3.99Å; V109-T130 HydrophobicContact CB-CG2 4.25Å; V109-T130 HydrophobicContact CG1-CG2 4.04Å; V109-L133 HydrophobicContact CG1-CD2 4.17Å; V109-L133 HydrophobicContact CG2-CD2 3.82Å; V109-V134 HydrophobicContact CG2-CG2 4.26Å |
| 110 | S | 98.6 | Very high | 97.4 | Very high | 50 Ų | 50 | 44.4 Ų | 44.4 | 35% | 0.35 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.5 | -41.6 | 175.4 | -176.6 | 0 | 0 | 0 | 0 | 112.5 | R106 D107 N108 F112 I113 T114 | R106-S110 WeakPolarHBondContact O-CB 3.49Å; R106-S110 PolarHBondContact O-N 3.02Å; D107-S110 WeakPolarHBondContact O-CB 3.42Å; D107-S110 PolarHBondContact O-N 3.1Å; D107-S110 VanDerWaalsContact O-N 3.16Å; N108-S110 VanDerWaalsContact C-N 3.34Å; N108-S110 PolarHBondContact O-N 3.3Å; S110-F112 VanDerWaalsContact C-N 3.35Å; S110-I113 PolarHBondContact O-N 2.8Å; S110-T114 WeakPolarHBondContact O-CB 3.47Å; S110-T114 PolarHBondContact O-N 2.96Å; S110-T114 PolarHBondContact O-OG1 3.47Å |
| 111 | N | 98.6 | Very high | 97.5 | Very high | 50 Ų | 50 | 46.2 Ų | 46.2 | 27% | 0.267 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -64.9 | -40.8 | 176.9 | -65.7 | -18 | 0 | 0 | 0 | 111.1 | V91 V92 D107 N108 V109 T114 W115 | V91-N111 HydrophobicContact CG1-CB 3.72Å; V92-N111 PolarHBondContact O-ND2 3.36Å; D107-N111 VanDerWaalsContact O-CG 3.25Å; D107-N111 PolarHBondContact O-N 3.42Å; D107-N111 PolarHBondContact O-ND2 2.8Å; N108-N111 PolarHBondContact O-N 2.93Å; V109-N111 PolarHBondContact O-N 3.34Å; N111-T114 PolarHBondContact O-N 3.47Å; N111-W115 PolarHBondContact O-N 2.98Å |
| 112 | F | 98.8 | Very high | 97.7 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 0% | 0.004 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.8 | -47.2 | 173.3 | 177.6 | -104 | 0 | 0 | 0 | 112.7 | L59 A63 N108 V109 S110 T114 W115 C116 F128 L146 V149 | L59-F112 HydrophobicContact CB-CB 4.29Å; L59-F112 HydrophobicContact CB-CD1 3.96Å; L59-F112 HydrophobicContact CB-CD2 3.73Å; L59-F112 HydrophobicContact CB-CE1 4.16Å; L59-F112 HydrophobicContact CB-CE2 3.96Å; L59-F112 HydrophobicContact CB-CG 3.72Å; L59-F112 HydrophobicContact CB-CZ 4.16Å; L59-F112 HydrophobicContact CD1-CD1 4.04Å; L59-F112 HydrophobicContact CD1-CE1 4.24Å; L59-F112 HydrophobicContact CD2-CE1 4.4Å; L59-F112 HydrophobicContact CD2-CZ 4.41Å; L59-F112 WeakPolarHBondContact O-CD2 3.48Å; L59-F112 WeakPolarHBondContact O-CE2 3.41Å; A63-F112 HydrophobicContact CB-CD2 3.95Å; A63-F112 HydrophobicContact CB-CE2 4.06Å; N108-F112 PolarHBondContact O-N 3.39Å; V109-F112 WeakPolarHBondContact O-CB 3.48Å; V109-F112 PolarHBondContact O-N 2.85Å; S110-F112 VanDerWaalsContact C-N 3.35Å; F112-T114 VanDerWaalsContact C-N 3.26Å; F112-T114 PolarHBondContact O-N 3Å; F112-W115 HydrophobicContact CD2-CE3 4.28Å; F112-W115 HydrophobicContact CE2-CE3 4.11Å; F112-W115 HydrophobicContact CE2-CZ3 4.09Å; F112-W115 WeakPolarHBondContact O-CB 3.36Å; F112-W115 PolarHBondContact O-N 2.96Å; F112-W115 VanDerWaalsContact O-N 3.14Å; F112-C116 VanDerWaalsContact CE1-SG 3.57Å; F112-C116 VanDerWaalsContact CZ-SG 3.53Å; F112-C116 PolarHBondContact O-N 3.33Å; F112-C116 PolarHBondContact O-SG 3.46Å; F112-F128 HydrophobicContact CD1-CE1 4.08Å; F112-F128 AromaticContact CD1-CZ 3.96Å; F112-F128 HydrophobicContact CD1-CZ 3.96Å; F112-F128 AromaticContact CE1-CE1 3.99Å; F112-F128 HydrophobicContact CE1-CE1 3.99Å; F112-F128 HydrophobicContact CE1-CZ 4.2Å; F112-L146 HydrophobicContact CZ-CD1 4.39Å; F112-V149 HydrophobicContact CZ-CG2 4.15Å |
| 113 | I | 98.6 | Very high | 97.7 | Very high | 14 Ų | 14 | 50.6 Ų | 50.6 | 7% | 0.072 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -56.9 | -42.8 | 175.9 | -72.7 | 165.5 | 0 | 0 | 0 | 110.6 | V109 S110 C116 R117 M127 F128 T130 | V109-I113 HydrophobicContact CG1-CD1 3.87Å; V109-I113 HydrophobicContact CG1-CG1 4.43Å; V109-I113 VanDerWaalsContact O-CG1 3.3Å; V109-I113 WeakPolarHBondContact O-CG1 3.48Å; V109-I113 PolarHBondContact O-N 2.93Å; S110-I113 PolarHBondContact O-N 2.8Å; I113-C116 PolarHBondContact O-N 3.14Å; I113-R117 PolarHBondContact O-N 3.15Å; I113-M127 HydrophobicContact CB-CE 4.33Å; I113-M127 HydrophobicContact CG2-CE 3.62Å; I113-M127 WeakPolarHBondContact O-CE 3.33Å; I113-F128 HydrophobicContact CD1-CD2 4.19Å; I113-F128 HydrophobicContact CD1-CE1 4.39Å; I113-F128 HydrophobicContact CD1-CE2 3.82Å; I113-F128 HydrophobicContact CD1-CZ 3.93Å; I113-F128 WeakPolarHBondContact CD1-O 3.37Å; I113-F128 HydrophobicContact CG1-CD1 4.24Å; I113-F128 HydrophobicContact CG1-CE1 3.7Å; I113-F128 HydrophobicContact CG1-CE2 3.99Å; I113-F128 HydrophobicContact CG1-CZ 3.55Å; I113-T130 HydrophobicContact CD1-CG2 3.97Å |
| 114 | T | 98.5 | Very high | 97.6 | Very high | 48 Ų | 48 | 47.2 Ų | 47.2 | 29% | 0.294 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62.1 | -44.3 | 177.8 | -60.1 | 0 | 0 | 0 | 0 | 111.3 | S110 N111 F112 R117 Q118 | S110-T114 WeakPolarHBondContact O-CB 3.47Å; S110-T114 PolarHBondContact O-N 2.96Å; S110-T114 PolarHBondContact O-OG1 3.47Å; N111-T114 PolarHBondContact O-N 3.47Å; F112-T114 VanDerWaalsContact C-N 3.26Å; F112-T114 PolarHBondContact O-N 3Å; T114-R117 PolarHBondContact O-N 3.27Å; T114-Q118 HydrophobicContact CG2-CG 4.37Å; T114-Q118 WeakPolarHBondContact O-CB 3.24Å; T114-Q118 WeakPolarHBondContact O-CG 3.36Å; T114-Q118 PolarHBondContact O-N 3.43Å |
| 115 | W | 98.6 | Very high | 97.5 | Very high | 9 Ų | 9 | 49.5 Ų | 49.5 | 3% | 0.034 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.8 | -45.4 | 175.8 | 175.3 | 91.1 | 0 | 0 | 0 | 112.7 | A63 V66 N67 P87 K89 V91 N111 F112 R117 Q118 E119 L120 V149 | A63-W115 HydrophobicContact CB-CD2 3.54Å; A63-W115 HydrophobicContact CB-CE3 3.52Å; A63-W115 HydrophobicContact CB-CG 4.18Å; A63-W115 HydrophobicContact CB-CH2 3.83Å; A63-W115 HydrophobicContact CB-CZ2 3.86Å; A63-W115 HydrophobicContact CB-CZ3 3.67Å; A63-W115 WeakPolarHBondContact O-CZ2 3.35Å; V66-W115 HydrophobicContact CB-CH2 3.8Å; V66-W115 HydrophobicContact CB-CZ2 3.96Å; V66-W115 HydrophobicContact CG1-CH2 3.92Å; V66-W115 HydrophobicContact CG1-CZ2 4.08Å; V66-W115 HydrophobicContact CG2-CH2 4.07Å; N67-W115 WeakPolarHBondContact OD1-CZ2 3.23Å; N67-W115 PolarHBondContact OD1-NE1 2.84Å; P87-W115 HydrophobicContact CB-CZ2 4.47Å; K89-W115 VanDerWaalsContact O-CD1 3.26Å; K89-W115 PolarHBondContact O-NE1 3.49Å; V91-W115 HydrophobicContact CG2-CB 3.44Å; V91-W115 VanDerWaalsContact CG2-CB 3.44Å; V91-W115 VanDerWaalsContact CG2-CD1 3.44Å; V91-W115 HydrophobicContact CG2-CD2 4.08Å; V91-W115 HydrophobicContact CG2-CG 3.36Å; N111-W115 PolarHBondContact O-N 2.98Å; F112-W115 HydrophobicContact CD2-CE3 4.28Å; F112-W115 HydrophobicContact CE2-CE3 4.11Å; F112-W115 HydrophobicContact CE2-CZ3 4.09Å; F112-W115 WeakPolarHBondContact O-CB 3.36Å; F112-W115 PolarHBondContact O-N 2.96Å; F112-W115 VanDerWaalsContact O-N 3.14Å; W115-R117 PolarHBondContact O-N 2.89Å; W115-Q118 PolarHBondContact O-N 3.26Å; W115-Q118 VanDerWaalsContact O-N 3.17Å; W115-E119 VanDerWaalsContact CD1-CG 3.48Å; W115-E119 HydrophobicContact CD2-CB 4.37Å; W115-E119 HydrophobicContact CG-CB 4.14Å; W115-E119 HydrophobicContact CG-CG 4.24Å; W115-E119 WeakPolarHBondContact O-CB 3.16Å; W115-E119 PolarHBondContact O-N 2.77Å; W115-L120 HydrophobicContact CE3-CD1 4.35Å; W115-L120 HydrophobicContact CE3-CG 4.39Å; W115-L120 HydrophobicContact CH2-CD1 3.32Å; W115-L120 HydrophobicContact CH2-CD2 4.03Å; W115-L120 HydrophobicContact CH2-CG 3.48Å; W115-L120 VanDerWaalsContact CH2-CG 3.48Å; W115-L120 HydrophobicContact CZ2-CD1 4.25Å; W115-L120 HydrophobicContact CZ2-CD2 4.23Å; W115-L120 HydrophobicContact CZ2-CG 3.93Å; W115-L120 HydrophobicContact CZ3-CD1 3.37Å; W115-L120 HydrophobicContact CZ3-CG 3.74Å; W115-L120 PolarHBondContact O-N 3.46Å; W115-V149 HydrophobicContact CZ3-CG1 4.31Å |
| 116 | C | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -54.6 | -40 | 176 | -74.6 | 0 | 0 | 0 | 0 | 112.4 | F112 I113 L120 W121 I122 M127 V149 | F112-C116 VanDerWaalsContact CE1-SG 3.57Å; F112-C116 VanDerWaalsContact CZ-SG 3.53Å; F112-C116 PolarHBondContact O-N 3.33Å; F112-C116 PolarHBondContact O-SG 3.46Å; I113-C116 PolarHBondContact O-N 3.14Å; C116-L120 CarbonylContact O-C 3.52Å; C116-L120 WeakPolarHBondContact O-CB 3.47Å; C116-W121 PolarHBondContact O-N 2.74Å; C116-I122 HydrophobicContact CB-CD1 4.1Å; C116-I122 PolarHBondContact O-N 3.22Å; C116-I122 VanDerWaalsContact O-N 3.13Å; C116-M127 HydrophobicContact CB-CE 3.85Å; C116-M127 HydrophobicContact CB-SD 4.08Å; C116-V149 VanDerWaalsContact SG-CG2 3.59Å |
| 117 | R | 97.8 | Very high | 97.3 | Very high | 103 Ų | 103 | 49.9 Ų | 49.9 | 39% | 0.389 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -72.5 | -44 | 178.1 | -172 | 179.1 | -67 | 106.5 | -0.6 | 112.4 | I113 T114 W115 W121 D124 M127 | I113-R117 PolarHBondContact O-N 3.15Å; T114-R117 PolarHBondContact O-N 3.27Å; W115-R117 PolarHBondContact O-N 2.89Å; R117-W121 WeakPolarHBondContact O-CA 3.05Å; R117-D124 IonicContact CZ-OD1 3.57Å; R117-D124 IonicContact NE-OD1 2.73Å; R117-D124 PolarHBondContact NE-OD1 3.13Å; R117-D124 IonicContact NH2-OD1 3.71Å; R117-D124 PolarHBondContact NH2-OD1 2.62Å; R117-M127 HydrophobicContact CB-CE 4.32Å |
| 118 | Q | 96.9 | Very high | 97.3 | Very high | 105 Ų | 105 | 46.1 Ų | 46.1 | 49% | 0.491 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -88.5 | -40.9 | -168.9 | -68 | -178.9 | 1.1 | 0 | 0 | 113.6 | T114 W115 W121 | T114-Q118 HydrophobicContact CG2-CG 4.37Å; T114-Q118 WeakPolarHBondContact O-CB 3.24Å; T114-Q118 WeakPolarHBondContact O-CG 3.36Å; T114-Q118 PolarHBondContact O-N 3.43Å; W115-Q118 PolarHBondContact O-N 3.26Å; W115-Q118 VanDerWaalsContact O-N 3.17Å; Q118-W121 PolarHBondContact O-NE1 3.14Å |
| 119 | E | 97.1 | Very high | 97.3 | Very high | 11 Ų | 11 | 52.3 Ų | 52.3 | 5% | 0.051 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | -26.7 | -171.5 | -61.4 | -65.4 | 129 | 0 | 0 | 112 | P87 S88 K89 W115 W121 | P87-E119 HydrophobicContact CB-CB 3.83Å; P87-E119 WeakPolarHBondContact CB-O 3.37Å; S88-E119 PolarHBondContact N-OE2 3.23Å; K89-E119 HydrophobicContact CB-CG 4.21Å; K89-E119 WeakPolarHBondContact CD-OE1 3.43Å; K89-E119 PolarHBondContact N-OE2 2.98Å; K89-E119 IonicContact NZ-OE1 3.91Å; W115-E119 VanDerWaalsContact CD1-CG 3.48Å; W115-E119 HydrophobicContact CD2-CB 4.37Å; W115-E119 HydrophobicContact CG-CB 4.14Å; W115-E119 HydrophobicContact CG-CG 4.24Å; W115-E119 WeakPolarHBondContact O-CB 3.16Å; W115-E119 PolarHBondContact O-N 2.77Å; E119-W121 VanDerWaalsContact O-CE3 3.26Å; E119-W121 WeakPolarHBondContact O-CH2 3.27Å; E119-W121 WeakPolarHBondContact O-CZ3 3.37Å |
| 120 | L | 96.8 | Very high | 97.2 | Very high | 4 Ų | 4 | 54 Ų | 54 | 2% | 0.021 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -103.5 | -7.2 | 172.2 | -69.8 | -170 | 0 | 0 | 0 | 114.3 | V66 P87 W115 C116 I122 V149 R152 F156 | V66-L120 HydrophobicContact CG1-CD2 4.12Å; P87-L120 HydrophobicContact CB-CD2 4.29Å; P87-L120 HydrophobicContact CG-CD2 4.07Å; W115-L120 HydrophobicContact CE3-CD1 4.35Å; W115-L120 HydrophobicContact CE3-CG 4.39Å; W115-L120 HydrophobicContact CH2-CD1 3.32Å; W115-L120 HydrophobicContact CH2-CD2 4.03Å; W115-L120 HydrophobicContact CH2-CG 3.48Å; W115-L120 VanDerWaalsContact CH2-CG 3.48Å; W115-L120 HydrophobicContact CZ2-CD1 4.25Å; W115-L120 HydrophobicContact CZ2-CD2 4.23Å; W115-L120 HydrophobicContact CZ2-CG 3.93Å; W115-L120 HydrophobicContact CZ3-CD1 3.37Å; W115-L120 HydrophobicContact CZ3-CG 3.74Å; W115-L120 PolarHBondContact O-N 3.46Å; C116-L120 CarbonylContact O-C 3.52Å; C116-L120 WeakPolarHBondContact O-CB 3.47Å; L120-I122 HydrophobicContact CB-CD1 4.25Å; L120-I122 HydrophobicContact CB-CG1 3.95Å; L120-I122 HydrophobicContact CD1-CD1 4.29Å; L120-I122 PolarHBondContact O-N 3.36Å; L120-V149 HydrophobicContact CD1-CB 4.21Å; L120-V149 HydrophobicContact CD1-CG1 3.89Å; L120-V149 HydrophobicContact CD1-CG2 4.1Å; L120-R152 HydrophobicContact CD1-CB 4.18Å; L120-R152 HydrophobicContact CD2-CB 4.08Å; L120-R152 PolarHBondContact O-NH1 2.89Å; L120-F156 HydrophobicContact CD2-CE2 4.13Å |
| 121 | W | 97.2 | Very high | 97 | Very high | 104 Ų | 104 | 54.2 Ų | 54.2 | 39% | 0.394 | 27% | 0.265 | S | S | . | . | trans | 49.6 | 44.3 | -177.4 | -54.7 | -82.7 | 0 | 0 | 0 | 113 | K85 C116 R117 Q118 E119 R152 | K85-W121 HydrophobicContact CB-CD2 4.5Å; K85-W121 HydrophobicContact CB-CE3 3.89Å; K85-W121 HydrophobicContact CB-CH2 3.63Å; K85-W121 HydrophobicContact CB-CZ2 4.23Å; K85-W121 HydrophobicContact CB-CZ3 3.41Å; K85-W121 VanDerWaalsContact CB-CZ3 3.41Å; K85-W121 HydrophobicContact CD-CD2 4.14Å; K85-W121 HydrophobicContact CD-CE3 4.31Å; K85-W121 HydrophobicContact CD-CH2 4.47Å; K85-W121 HydrophobicContact CD-CZ2 4.27Å; K85-W121 HydrophobicContact CD-CZ3 4.47Å; C116-W121 PolarHBondContact O-N 2.74Å; R117-W121 WeakPolarHBondContact O-CA 3.05Å; Q118-W121 PolarHBondContact O-NE1 3.14Å; E119-W121 VanDerWaalsContact O-CE3 3.26Å; E119-W121 WeakPolarHBondContact O-CH2 3.27Å; E119-W121 WeakPolarHBondContact O-CZ3 3.37Å; W121-R152 PolarHBondContact O-NH1 2.96Å | ||
| 122 | I | 97.2 | Very high | 96.9 | Very high | 5 Ų | 5 | 52.3 Ų | 52.3 | 3% | 0.026 | 26% | 0.255 | C | S | . | . | trans | -72.6 | 131.9 | 172.6 | -62.1 | -176.7 | 0 | 0 | 0 | 108.5 | C116 L120 L126 M127 E148 V149 | C116-I122 HydrophobicContact CB-CD1 4.1Å; C116-I122 PolarHBondContact O-N 3.22Å; C116-I122 VanDerWaalsContact O-N 3.13Å; L120-I122 HydrophobicContact CB-CD1 4.25Å; L120-I122 HydrophobicContact CB-CG1 3.95Å; L120-I122 HydrophobicContact CD1-CD1 4.29Å; L120-I122 PolarHBondContact O-N 3.36Å; I122-L126 HydrophobicContact CG2-CB 3.96Å; I122-M127 HydrophobicContact CB-SD 3.79Å; I122-M127 HydrophobicContact CG2-CG 4.35Å; I122-M127 HydrophobicContact CG2-SD 3.61Å; I122-E148 HydrophobicContact CD1-CB 4.29Å; I122-E148 HydrophobicContact CD1-CG 4.02Å; I122-E148 HydrophobicContact CG1-CG 3.96Å; I122-E148 HydrophobicContact CG2-CG 4.04Å; I122-V149 HydrophobicContact CD1-CB 4.4Å; I122-V149 HydrophobicContact CD1-CG2 3.46Å; I122-V149 VanDerWaalsContact CD1-CG2 3.46Å | ||
| 123 | K | 95.6 | Very high | 96.7 | Very high | 151 Ų | 151 | 52.3 Ų | 52.3 | 66% | 0.657 | 26% | 0.255 | S | S | * | . | trans | -69 | 142.9 | -178.6 | -65.2 | -177.6 | 179.3 | 176.5 | 0 | 110 | V125 L126 M127 | K123-V125 HydrophobicContact CB-CG2 4.02Å; K123-V125 PolarHBondContact O-N 2.64Å; K123-L126 PolarHBondContact O-N 3.38Å; K123-M127 PolarHBondContact O-N 2.96Å | ||
| 124 | D | 94.6 | Very high | 96.4 | Very high | 109 Ų | 109 | 52.2 Ų | 52.2 | 58% | 0.583 | 26% | 0.255 | S | S | * | . | G | 310 helix | trans | -56.9 | -28.1 | -176.9 | -69.3 | -46.4 | 0 | 0 | 0 | 113.8 | R117 L126 M127 | R117-D124 IonicContact CZ-OD1 3.57Å; R117-D124 IonicContact NE-OD1 2.73Å; R117-D124 PolarHBondContact NE-OD1 3.13Å; R117-D124 IonicContact NH2-OD1 3.71Å; R117-D124 PolarHBondContact NH2-OD1 2.62Å; D124-L126 PolarHBondContact O-N 2.97Å; D124-L126 VanDerWaalsContact O-N 3.16Å; D124-M127 WeakPolarHBondContact O-CB 3.45Å; D124-M127 PolarHBondContact O-N 3.22Å |
| 125 | V | 94.6 | Very high | 96 | Very high | 129 Ų | 129 | 54.7 Ų | 54.7 | 78% | 0.782 | 26% | 0.263 | S | S | * | . | G | 310 helix | trans | -63.3 | -17.5 | 175.3 | -60.6 | 0 | 0 | 0 | 0 | 114.3 | K123 | K123-V125 HydrophobicContact CB-CG2 4.02Å; K123-V125 PolarHBondContact O-N 2.64Å |
| 126 | L | 94.4 | Very high | 95.6 | Very high | 53 Ų | 53 | 57.2 Ų | 57.2 | 28% | 0.277 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -108.5 | -1.1 | 175.6 | -62.4 | 177.2 | 0 | 0 | 0 | 112.3 | I122 K123 D124 C145 E148 | I122-L126 HydrophobicContact CG2-CB 3.96Å; K123-L126 PolarHBondContact O-N 3.38Å; D124-L126 PolarHBondContact O-N 2.97Å; D124-L126 VanDerWaalsContact O-N 3.16Å; L126-C145 VanDerWaalsContact O-CA 3.31Å; L126-C145 WeakPolarHBondContact O-CA 3.15Å; L126-C145 WeakPolarHBondContact O-CB 3.49Å; L126-E148 HydrophobicContact CD1-CB 4.13Å; L126-E148 HydrophobicContact CD1-CG 3.89Å |
| 127 | M | 96.6 | Very high | 95.1 | Very high | 16 Ų | 16 | 61 Ų | 61 | 8% | 0.079 | 30% | 0.299 | C | S | . | . | trans | -79.2 | 150.8 | -179.6 | -66.7 | -63.2 | -62.7 | 0 | 0 | 110.5 | I113 C116 R117 I122 K123 D124 | I113-M127 HydrophobicContact CB-CE 4.33Å; I113-M127 HydrophobicContact CG2-CE 3.62Å; I113-M127 WeakPolarHBondContact O-CE 3.33Å; C116-M127 HydrophobicContact CB-CE 3.85Å; C116-M127 HydrophobicContact CB-SD 4.08Å; R117-M127 HydrophobicContact CB-CE 4.32Å; I122-M127 HydrophobicContact CB-SD 3.79Å; I122-M127 HydrophobicContact CG2-CG 4.35Å; I122-M127 HydrophobicContact CG2-SD 3.61Å; K123-M127 PolarHBondContact O-N 2.96Å; D124-M127 WeakPolarHBondContact O-CB 3.45Å; D124-M127 PolarHBondContact O-N 3.22Å | ||
| 128 | F | 97.8 | Very high | 94.8 | Very high | 6 Ų | 6 | 58.9 Ų | 58.9 | 3% | 0.026 | 30% | 0.295 | C | S | . | . | trans | -113.2 | 162.9 | 174 | 75.5 | -76.3 | 0 | 0 | 0 | 110.6 | V109 F112 I113 D132 L133 N141 F142 C145 | V109-F128 HydrophobicContact CG1-CE2 3.63Å; V109-F128 HydrophobicContact CG1-CZ 3.99Å; F112-F128 HydrophobicContact CD1-CE1 4.08Å; F112-F128 AromaticContact CD1-CZ 3.96Å; F112-F128 HydrophobicContact CD1-CZ 3.96Å; F112-F128 AromaticContact CE1-CE1 3.99Å; F112-F128 HydrophobicContact CE1-CE1 3.99Å; F112-F128 HydrophobicContact CE1-CZ 4.2Å; I113-F128 HydrophobicContact CD1-CD2 4.19Å; I113-F128 HydrophobicContact CD1-CE1 4.39Å; I113-F128 HydrophobicContact CD1-CE2 3.82Å; I113-F128 HydrophobicContact CD1-CZ 3.93Å; I113-F128 WeakPolarHBondContact CD1-O 3.37Å; I113-F128 HydrophobicContact CG1-CD1 4.24Å; I113-F128 HydrophobicContact CG1-CE1 3.7Å; I113-F128 HydrophobicContact CG1-CE2 3.99Å; I113-F128 HydrophobicContact CG1-CZ 3.55Å; F128-D132 HydrophobicContact CB-CB 4.24Å; F128-D132 HydrophobicContact CD2-CB 4.31Å; F128-L133 HydrophobicContact CD2-CB 4.41Å; F128-L133 HydrophobicContact CE2-CB 4.06Å; F128-L133 HydrophobicContact CE2-CD2 4.37Å; F128-N141 HydrophobicContact CB-CB 3.88Å; F128-F142 HydrophobicContact CB-CB 4.27Å; F128-F142 HydrophobicContact CD1-CD2 4.05Å; F128-F142 HydrophobicContact CD2-CB 4.11Å; F128-F142 AromaticContact CD2-CD2 3.72Å; F128-F142 HydrophobicContact CD2-CD2 3.72Å; F128-F142 HydrophobicContact CD2-CG 4.36Å; F128-F142 AromaticContact CE1-CD2 3.87Å; F128-F142 HydrophobicContact CE1-CD2 3.87Å; F128-F142 HydrophobicContact CE1-CE2 4.31Å; F128-F142 AromaticContact CE2-CD2 3.54Å; F128-F142 HydrophobicContact CE2-CD2 3.54Å; F128-F142 HydrophobicContact CE2-CE2 4.1Å; F128-F142 HydrophobicContact CG-CB 4.15Å; F128-F142 AromaticContact CG-CD2 4Å; F128-F142 HydrophobicContact CG-CD2 4Å; F128-F142 AromaticContact CZ-CD2 3.62Å; F128-F142 HydrophobicContact CZ-CD2 3.62Å; F128-F142 AromaticContact CZ-CE2 3.89Å; F128-F142 HydrophobicContact CZ-CE2 3.89Å; F128-C145 HydrophobicContact CD1-CB 3.64Å; F128-C145 HydrophobicContact CE1-CB 4.32Å | ||
| 129 | E | 97.4 | Very high | 94.6 | Very high | 131 Ų | 131 | 56.6 Ų | 56.6 | 61% | 0.612 | 28% | 0.284 | S | S | * | . | trans | -99.6 | 161.3 | 175 | -61.9 | -172.2 | 169 | 0 | 0 | 111.8 | N131 D132 | E129-N131 PolarHBondContact O-N 3.03Å; E129-D132 PolarHBondContact N-OD2 2.8Å; E129-D132 VanDerWaalsContact O-CB 3.31Å; E129-D132 WeakPolarHBondContact O-CB 3.48Å; E129-D132 PolarHBondContact O-N 3.05Å | ||
| 130 | T | 96.8 | Very high | 94.4 | Very high | 36 Ų | 36 | 60.3 Ų | 60.3 | 22% | 0.221 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -57.3 | -37.3 | 178.7 | 50.1 | 0 | 0 | 0 | 0 | 112.5 | V109 I113 D132 L133 V134 | V109-T130 HydrophobicContact CB-CG2 4.25Å; V109-T130 HydrophobicContact CG1-CG2 4.04Å; I113-T130 HydrophobicContact CD1-CG2 3.97Å; T130-D132 VanDerWaalsContact C-N 3.33Å; T130-D132 PolarHBondContact O-N 2.76Å; T130-L133 PolarHBondContact O-N 2.82Å; T130-V134 WeakPolarHBondContact O-CB 3.42Å; T130-V134 WeakPolarHBondContact O-CG2 3.45Å; T130-V134 PolarHBondContact O-N 3.33Å |
| 131 | N | 94.9 | Very high | 94.3 | Very high | 53 Ų | 53 | 62.7 Ų | 62.7 | 28% | 0.283 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -71.9 | -24.9 | 179.1 | -67.1 | -16.1 | 0 | 0 | 0 | 113.1 | E129 L133 E135 R136 C137 | E129-N131 PolarHBondContact O-N 3.03Å; N131-L133 PolarHBondContact O-N 3.39Å; N131-E135 HydrophobicContact CB-CB 4.33Å; N131-E135 HydrophobicContact CB-CG 4.45Å; N131-E135 CarbonylContact O-C 3.48Å; N131-E135 WeakPolarHBondContact O-CA 3.45Å; N131-E135 WeakPolarHBondContact O-CB 2.97Å; N131-E135 PolarHBondContact O-N 3.05Å; N131-R136 PolarHBondContact O-N 2.68Å; N131-C137 PolarHBondContact O-N 3.02Å |
| 132 | D | 95.7 | Very high | 94.3 | Very high | 11 Ų | 11 | 57.7 Ų | 57.7 | 6% | 0.059 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.5 | -37.3 | 176.2 | -68.7 | -19.2 | 0 | 0 | 0 | 111.1 | F128 E129 T130 R136 N138 | F128-D132 HydrophobicContact CB-CB 4.24Å; F128-D132 HydrophobicContact CD2-CB 4.31Å; E129-D132 PolarHBondContact N-OD2 2.8Å; E129-D132 VanDerWaalsContact O-CB 3.31Å; E129-D132 WeakPolarHBondContact O-CB 3.48Å; E129-D132 PolarHBondContact O-N 3.05Å; T130-D132 VanDerWaalsContact C-N 3.33Å; T130-D132 PolarHBondContact O-N 2.76Å; D132-R136 WeakPolarHBondContact O-CA 3.26Å; D132-N138 HydrophobicContact CB-CB 4.33Å; D132-N138 WeakPolarHBondContact CB-O 3.33Å; D132-N138 WeakPolarHBondContact OD1-CB 3.43Å |
| 133 | L | 95.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -87.9 | -58.6 | 174.8 | 179.6 | 58.7 | 0 | 0 | 0 | 111.2 | M50 L53 L59 V109 F128 T130 N131 E135 R136 F142 | M50-L133 HydrophobicContact CE-CD1 3.69Å; M50-L133 HydrophobicContact SD-CD1 4.43Å; L53-L133 HydrophobicContact CB-CD1 4.39Å; L59-L133 HydrophobicContact CD1-CD2 3.64Å; V109-L133 HydrophobicContact CG1-CD2 4.17Å; V109-L133 HydrophobicContact CG2-CD2 3.82Å; F128-L133 HydrophobicContact CD2-CB 4.41Å; F128-L133 HydrophobicContact CE2-CB 4.06Å; F128-L133 HydrophobicContact CE2-CD2 4.37Å; T130-L133 PolarHBondContact O-N 2.82Å; N131-L133 PolarHBondContact O-N 3.39Å; L133-E135 PolarHBondContact O-N 2.92Å; L133-R136 PolarHBondContact O-N 3.38Å; L133-R136 PolarHBondContact O-NH1 2.95Å; L133-F142 HydrophobicContact CB-CD2 4.42Å; L133-F142 HydrophobicContact CD1-CD1 4Å; L133-F142 HydrophobicContact CD1-CD2 4.47Å; L133-F142 HydrophobicContact CD1-CE1 3.75Å; L133-F142 HydrophobicContact CD1-CE2 4.27Å; L133-F142 HydrophobicContact CD1-CG 4.34Å; L133-F142 HydrophobicContact CD1-CZ 3.89Å; L133-F142 HydrophobicContact CD2-CD2 4.31Å; L133-F142 HydrophobicContact CD2-CE2 3.84Å; L133-F142 HydrophobicContact CD2-CZ 4.04Å |
| 134 | V | 91.9 | Very high | 94.3 | Very high | 13 Ų | 13 | 52.6 Ų | 52.6 | 8% | 0.079 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -70.5 | -31.8 | -167.9 | 178.8 | 0 | 0 | 0 | 0 | 113.2 | R106 V109 T130 | R106-V134 HydrophobicContact CG-CB 4.34Å; R106-V134 HydrophobicContact CG-CG1 4.06Å; R106-V134 HydrophobicContact CG-CG2 4.07Å; V109-V134 HydrophobicContact CG2-CG2 4.26Å; T130-V134 WeakPolarHBondContact O-CB 3.42Å; T130-V134 WeakPolarHBondContact O-CG2 3.45Å; T130-V134 PolarHBondContact O-N 3.33Å |
| 135 | E | 89.4 | Confident | 94.4 | Very high | 100 Ų | 100 | 47.4 Ų | 47.4 | 47% | 0.467 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -111.3 | 2.5 | -178.7 | -61.7 | -178.4 | 174.1 | 0 | 0 | 112.5 | R106 N131 L133 C137 | R106-E135 IonicContact CZ-OE1 3.48Å; R106-E135 IonicContact NE-OE1 2.9Å; R106-E135 IonicContact NH2-OE1 3.74Å; R106-E135 PolarHBondContact NH2-OE1 2.87Å; N131-E135 HydrophobicContact CB-CB 4.33Å; N131-E135 HydrophobicContact CB-CG 4.45Å; N131-E135 CarbonylContact O-C 3.48Å; N131-E135 WeakPolarHBondContact O-CA 3.45Å; N131-E135 WeakPolarHBondContact O-CB 2.97Å; N131-E135 PolarHBondContact O-N 3.05Å; L133-E135 PolarHBondContact O-N 2.92Å; E135-C137 PolarHBondContact O-N 3.02Å |
| 136 | R | 91.4 | Very high | 94.6 | Very high | 61 Ų | 61 | 41.4 Ų | 41.4 | 23% | 0.23 | 21% | 0.209 | C | C | . | . | trans | 58 | 30.5 | -177 | -47.1 | -63.3 | -176 | -133 | -8.4 | 113.5 | M50 D51 E54 N131 D132 L133 N138 | M50-R136 VanDerWaalsContact CB-NH1 3.32Å; M50-R136 PolarHBondContact O-NH1 3.37Å; M50-R136 PolarHBondContact O-NH2 3.15Å; M50-R136 VanDerWaalsContact O-NH2 3.16Å; D51-R136 IonicContact OD1-CZ 2.84Å; D51-R136 IonicContact OD1-NE 2.73Å; D51-R136 IonicContact OD1-NH2 3.15Å; D51-R136 PolarHBondContact OD1-NH2 3.49Å; E54-R136 IonicContact OE2-CZ 3.48Å; E54-R136 IonicContact OE2-NH1 3.02Å; E54-R136 IonicContact OE2-NH2 2.82Å; E54-R136 PolarHBondContact OE2-NH2 2.99Å; N131-R136 PolarHBondContact O-N 2.68Å; D132-R136 WeakPolarHBondContact O-CA 3.26Å; L133-R136 PolarHBondContact O-N 3.38Å; L133-R136 PolarHBondContact O-NH1 2.95Å; R136-N138 VanDerWaalsContact C-N 3.28Å; R136-N138 PolarHBondContact O-N 2.97Å | ||
| 137 | C | 88.5 | Confident | 94.8 | Very high | 81 Ų | 81 | 39.3 Ų | 39.3 | 55% | 0.547 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -62.9 | -35.5 | -178.9 | -72.2 | 0 | 0 | 0 | 0 | 112.5 | N131 E135 | N131-C137 PolarHBondContact O-N 3.02Å; E135-C137 PolarHBondContact O-N 3.02Å |
| 138 | N | 89.7 | Confident | 94.8 | Very high | 58 Ų | 58 | 39.7 Ų | 39.7 | 31% | 0.31 | 20% | 0.2 | S | C | . | . | trans | -158.9 | 87.2 | -179.1 | -172.4 | -8.6 | 0 | 0 | 0 | 112.1 | D132 R136 K140 N141 | D132-N138 HydrophobicContact CB-CB 4.33Å; D132-N138 WeakPolarHBondContact CB-O 3.33Å; D132-N138 WeakPolarHBondContact OD1-CB 3.43Å; R136-N138 VanDerWaalsContact C-N 3.28Å; R136-N138 PolarHBondContact O-N 2.97Å; N138-K140 PolarHBondContact O-N 2.74Å; N138-K140 WeakPolarHBondContact OD1-CB 3.38Å; N138-K140 PolarHBondContact OD1-N 3.22Å; N138-N141 PolarHBondContact ND2-ND2 3.08Å; N138-N141 PolarHBondContact ND2-OD1 3.04Å; N138-N141 PolarHBondContact O-N 3.19Å; N138-N141 PolarHBondContact OD1-N 3.22Å | ||
| 139 | E | 93.8 | Very high | 94.8 | Very high | 56 Ų | 56 | 39.4 Ų | 39.4 | 26% | 0.262 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -59.5 | -32.2 | 179.8 | -48.4 | -164.3 | 163.3 | 0 | 0 | 112.8 | K29 M50 N141 F142 I143 | K29-E139 IonicContact NZ-OE2 2.73Å; K29-E139 PolarHBondContact NZ-OE2 3.25Å; M50-E139 HydrophobicContact CE-CB 4.02Å; M50-E139 HydrophobicContact CE-CG 3.92Å; M50-E139 HydrophobicContact CG-CG 4.36Å; M50-E139 HydrophobicContact SD-CB 4.23Å; M50-E139 HydrophobicContact SD-CG 4.36Å; E139-N141 PolarHBondContact O-N 3.4Å; E139-F142 PolarHBondContact O-N 2.73Å; E139-I143 HydrophobicContact CB-CD1 4.16Å; E139-I143 WeakPolarHBondContact O-CD1 3.41Å; E139-I143 VanDerWaalsContact O-CG1 3.26Å; E139-I143 WeakPolarHBondContact O-CG1 3.34Å; E139-I143 PolarHBondContact O-N 2.85Å |
| 140 | K | 92.7 | Very high | 94.9 | Very high | 89 Ų | 89 | 33.2 Ų | 33.2 | 39% | 0.387 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -59 | -47.8 | -176.9 | 174.5 | -177.9 | -176.6 | 177 | 0 | 111.7 | Y24 L25 N138 F142 I143 L144 | Y24-K140 VanDerWaalsContact OH-CD 3.29Å; Y24-K140 WeakPolarHBondContact OH-CD 3.44Å; Y24-K140 VanDerWaalsContact OH-CE 3.29Å; Y24-K140 WeakPolarHBondContact OH-CE 3.31Å; L25-K140 HydrophobicContact CD1-CB 4.13Å; L25-K140 HydrophobicContact CD2-CB 3.9Å; L25-K140 HydrophobicContact CD2-CG 3.97Å; N138-K140 PolarHBondContact O-N 2.74Å; N138-K140 WeakPolarHBondContact OD1-CB 3.38Å; N138-K140 PolarHBondContact OD1-N 3.22Å; K140-F142 VanDerWaalsContact C-N 3.27Å; K140-F142 PolarHBondContact O-N 3.26Å; K140-I143 PolarHBondContact O-N 2.83Å; K140-L144 HydrophobicContact CD-CD1 4.44Å; K140-L144 HydrophobicContact CG-CD1 3.85Å; K140-L144 HydrophobicContact CG-CG 4.24Å; K140-L144 WeakPolarHBondContact O-CB 3.38Å; K140-L144 VanDerWaalsContact O-CG 3.3Å; K140-L144 WeakPolarHBondContact O-CG 3.09Å; K140-L144 PolarHBondContact O-N 2.91Å |
| 141 | N | 94.8 | Very high | 94.8 | Very high | 54 Ų | 54 | 34.4 Ų | 34.4 | 29% | 0.289 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -61.1 | -42.1 | -178.8 | -74.9 | 1 | 0 | 0 | 0 | 110.9 | F128 N138 E139 C145 | F128-N141 HydrophobicContact CB-CB 3.88Å; N138-N141 PolarHBondContact ND2-ND2 3.08Å; N138-N141 PolarHBondContact ND2-OD1 3.04Å; N138-N141 PolarHBondContact O-N 3.19Å; N138-N141 PolarHBondContact OD1-N 3.22Å; E139-N141 PolarHBondContact O-N 3.4Å; N141-C145 VanDerWaalsContact O-CB 3.31Å; N141-C145 WeakPolarHBondContact O-CB 3.49Å; N141-C145 PolarHBondContact O-N 3.41Å |
| 142 | F | 97.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.4 | -47.9 | 177.3 | 173.8 | -113.7 | 0 | 0 | 0 | 112.2 | F49 M50 L53 L59 F128 L133 E139 K140 L144 C145 L146 | F49-F142 HydrophobicContact CD1-CE1 4.41Å; F49-F142 HydrophobicContact CE1-CD1 4.3Å; F49-F142 AromaticContact CE1-CE1 3.71Å; F49-F142 HydrophobicContact CE1-CE1 3.71Å; F49-F142 HydrophobicContact CZ-CE1 4.43Å; M50-F142 HydrophobicContact CE-CD1 3.74Å; M50-F142 HydrophobicContact CE-CE1 4.37Å; M50-F142 HydrophobicContact CE-CG 4.41Å; M50-F142 HydrophobicContact SD-CD1 3.59Å; M50-F142 VanDerWaalsContact SD-CD1 3.59Å; M50-F142 HydrophobicContact SD-CE1 3.93Å; L53-F142 HydrophobicContact CB-CZ 4.18Å; L53-F142 HydrophobicContact CD1-CE1 3.95Å; L53-F142 HydrophobicContact CD1-CZ 3.8Å; L59-F142 HydrophobicContact CD1-CE2 3.75Å; L59-F142 HydrophobicContact CD1-CZ 4.09Å; L59-F142 HydrophobicContact CD2-CE2 4.18Å; L59-F142 HydrophobicContact CD2-CZ 4.04Å; F128-F142 HydrophobicContact CB-CB 4.27Å; F128-F142 HydrophobicContact CD1-CD2 4.05Å; F128-F142 HydrophobicContact CD2-CB 4.11Å; F128-F142 AromaticContact CD2-CD2 3.72Å; F128-F142 HydrophobicContact CD2-CD2 3.72Å; F128-F142 HydrophobicContact CD2-CG 4.36Å; F128-F142 AromaticContact CE1-CD2 3.87Å; F128-F142 HydrophobicContact CE1-CD2 3.87Å; F128-F142 HydrophobicContact CE1-CE2 4.31Å; F128-F142 AromaticContact CE2-CD2 3.54Å; F128-F142 HydrophobicContact CE2-CD2 3.54Å; F128-F142 HydrophobicContact CE2-CE2 4.1Å; F128-F142 HydrophobicContact CG-CB 4.15Å; F128-F142 AromaticContact CG-CD2 4Å; F128-F142 HydrophobicContact CG-CD2 4Å; F128-F142 AromaticContact CZ-CD2 3.62Å; F128-F142 HydrophobicContact CZ-CD2 3.62Å; F128-F142 AromaticContact CZ-CE2 3.89Å; F128-F142 HydrophobicContact CZ-CE2 3.89Å; L133-F142 HydrophobicContact CB-CD2 4.42Å; L133-F142 HydrophobicContact CD1-CD1 4Å; L133-F142 HydrophobicContact CD1-CD2 4.47Å; L133-F142 HydrophobicContact CD1-CE1 3.75Å; L133-F142 HydrophobicContact CD1-CE2 4.27Å; L133-F142 HydrophobicContact CD1-CG 4.34Å; L133-F142 HydrophobicContact CD1-CZ 3.89Å; L133-F142 HydrophobicContact CD2-CD2 4.31Å; L133-F142 HydrophobicContact CD2-CE2 3.84Å; L133-F142 HydrophobicContact CD2-CZ 4.04Å; E139-F142 PolarHBondContact O-N 2.73Å; K140-F142 VanDerWaalsContact C-N 3.27Å; K140-F142 PolarHBondContact O-N 3.26Å; F142-L144 PolarHBondContact O-N 3.48Å; F142-C145 PolarHBondContact O-N 2.92Å; F142-L146 HydrophobicContact CZ-CD2 4.41Å; F142-L146 PolarHBondContact O-N 2.79Å |
| 143 | I | 96.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60 | -47.8 | 178.9 | -68.1 | 159.4 | 0 | 0 | 0 | 111.1 | L25 M28 K29 L32 E139 K140 C145 L146 L147 | L25-I143 HydrophobicContact CB-CD1 4.33Å; L25-I143 HydrophobicContact CD2-CD1 4Å; M28-I143 HydrophobicContact CB-CG2 3.6Å; M28-I143 HydrophobicContact CG-CG2 4.39Å; M28-I143 HydrophobicContact SD-CG2 4.02Å; K29-I143 HydrophobicContact CD-CD1 3.91Å; K29-I143 HydrophobicContact CG-CD1 3.52Å; K29-I143 HydrophobicContact CG-CG1 3.95Å; L32-I143 HydrophobicContact CD1-CG2 3.92Å; E139-I143 HydrophobicContact CB-CD1 4.16Å; E139-I143 WeakPolarHBondContact O-CD1 3.41Å; E139-I143 VanDerWaalsContact O-CG1 3.26Å; E139-I143 WeakPolarHBondContact O-CG1 3.34Å; E139-I143 PolarHBondContact O-N 2.85Å; K140-I143 PolarHBondContact O-N 2.83Å; I143-C145 PolarHBondContact O-N 3.1Å; I143-L146 PolarHBondContact O-N 3.25Å; I143-L147 HydrophobicContact CG2-CD1 4.3Å; I143-L147 PolarHBondContact O-N 3.22Å |
| 144 | L | 95.2 | Very high | 94.9 | Very high | 49 Ų | 49 | 34.7 Ų | 34.7 | 26% | 0.257 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -64.5 | -39.7 | 179.4 | -68 | 179.2 | 0 | 0 | 0 | 112.1 | M28 K140 F142 L146 L147 E148 | M28-L144 HydrophobicContact CE-CD2 4.47Å; M28-L144 HydrophobicContact SD-CD2 4.35Å; K140-L144 HydrophobicContact CD-CD1 4.44Å; K140-L144 HydrophobicContact CG-CD1 3.85Å; K140-L144 HydrophobicContact CG-CG 4.24Å; K140-L144 WeakPolarHBondContact O-CB 3.38Å; K140-L144 VanDerWaalsContact O-CG 3.3Å; K140-L144 WeakPolarHBondContact O-CG 3.09Å; K140-L144 PolarHBondContact O-N 2.91Å; F142-L144 PolarHBondContact O-N 3.48Å; L144-L146 VanDerWaalsContact C-N 3.33Å; L144-L146 PolarHBondContact O-N 3.43Å; L144-L147 PolarHBondContact O-N 2.94Å; L144-E148 PolarHBondContact O-N 2.88Å; L144-E148 VanDerWaalsContact O-N 3.11Å |
| 145 | C | 97.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.1 | -45.8 | 174.5 | -167 | 0 | 0 | 0 | 0 | 111 | L126 F128 N141 F142 I143 E148 V149 | L126-C145 VanDerWaalsContact O-CA 3.31Å; L126-C145 WeakPolarHBondContact O-CA 3.15Å; L126-C145 WeakPolarHBondContact O-CB 3.49Å; F128-C145 HydrophobicContact CD1-CB 3.64Å; F128-C145 HydrophobicContact CE1-CB 4.32Å; N141-C145 VanDerWaalsContact O-CB 3.31Å; N141-C145 WeakPolarHBondContact O-CB 3.49Å; N141-C145 PolarHBondContact O-N 3.41Å; F142-C145 PolarHBondContact O-N 2.92Å; I143-C145 PolarHBondContact O-N 3.1Å; C145-E148 WeakPolarHBondContact O-CB 3.3Å; C145-E148 PolarHBondContact O-N 3.23Å; C145-E148 VanDerWaalsContact O-N 3.16Å; C145-V149 WeakPolarHBondContact O-CG2 3.33Å; C145-V149 PolarHBondContact O-N 3.21Å |
| 146 | L | 98.3 | Very high | 95.1 | Very high | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.01 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -69.1 | -35.7 | -177.5 | -167.5 | 63.4 | 0 | 0 | 0 | 112.7 | L32 W35 F49 L53 L59 F112 F142 I143 L144 E148 V149 A150 | L32-L146 HydrophobicContact CD1-CB 4.46Å; L32-L146 HydrophobicContact CD1-CD2 4.24Å; L32-L146 HydrophobicContact CD2-CD2 4.17Å; L32-L146 HydrophobicContact CD2-CG 4.16Å; W35-L146 HydrophobicContact CZ3-CD1 4.37Å; W35-L146 HydrophobicContact CZ3-CG 4.23Å; F49-L146 HydrophobicContact CZ-CD2 3.81Å; L53-L146 HydrophobicContact CD1-CD2 4.43Å; L59-L146 HydrophobicContact CD2-CD1 4.24Å; F112-L146 HydrophobicContact CZ-CD1 4.39Å; F142-L146 HydrophobicContact CZ-CD2 4.41Å; F142-L146 PolarHBondContact O-N 2.79Å; I143-L146 PolarHBondContact O-N 3.25Å; L144-L146 VanDerWaalsContact C-N 3.33Å; L144-L146 PolarHBondContact O-N 3.43Å; L146-E148 VanDerWaalsContact C-N 3.3Å; L146-E148 PolarHBondContact O-N 2.98Å; L146-V149 HydrophobicContact CD1-CB 4.39Å; L146-V149 WeakPolarHBondContact O-CB 3.4Å; L146-V149 PolarHBondContact O-N 2.88Å; L146-A150 PolarHBondContact O-N 3.41Å |
| 147 | L | 97.4 | Very high | 95.1 | Very high | 10 Ų | 10 | 33.6 Ų | 33.6 | 5% | 0.052 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.3 | -40.6 | 170 | -77 | 169.5 | 0 | 0 | 0 | 111.5 | M28 L32 I143 L144 A150 R151 L163 I164 | M28-L147 HydrophobicContact CB-CD1 4.42Å; M28-L147 HydrophobicContact CE-CD1 4.19Å; M28-L147 HydrophobicContact CG-CD1 4.11Å; M28-L147 HydrophobicContact SD-CD1 3.87Å; L32-L147 HydrophobicContact CD1-CD2 4.46Å; L32-L147 HydrophobicContact CD1-CG 4.23Å; L32-L147 HydrophobicContact CD2-CD2 3.91Å; L32-L147 HydrophobicContact CD2-CG 4.3Å; L32-L147 HydrophobicContact CG-CD2 4.16Å; L32-L147 HydrophobicContact CG-CG 4.46Å; I143-L147 HydrophobicContact CG2-CD1 4.3Å; I143-L147 PolarHBondContact O-N 3.22Å; L144-L147 PolarHBondContact O-N 2.94Å; L147-A150 PolarHBondContact O-N 2.67Å; L147-R151 WeakPolarHBondContact O-CB 3.35Å; L147-R151 PolarHBondContact O-N 3.37Å; L147-L163 HydrophobicContact CD1-CD2 3.96Å; L147-L163 HydrophobicContact CD2-CD2 4.15Å; L147-I164 HydrophobicContact CB-CD1 4.35Å; L147-I164 HydrophobicContact CD2-CD1 4.18Å; L147-I164 HydrophobicContact CD2-CG1 4.33Å |
| 148 | E | 97.5 | Very high | 95.3 | Very high | 23 Ų | 23 | 30.7 Ų | 30.7 | 11% | 0.107 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -68.1 | -38.2 | 175.5 | -175.4 | 61.1 | -168.1 | 0 | 0 | 112.1 | I122 L126 L144 C145 L146 A150 R151 R152 | I122-E148 HydrophobicContact CD1-CB 4.29Å; I122-E148 HydrophobicContact CD1-CG 4.02Å; I122-E148 HydrophobicContact CG1-CG 3.96Å; I122-E148 HydrophobicContact CG2-CG 4.04Å; L126-E148 HydrophobicContact CD1-CB 4.13Å; L126-E148 HydrophobicContact CD1-CG 3.89Å; L144-E148 PolarHBondContact O-N 2.88Å; L144-E148 VanDerWaalsContact O-N 3.11Å; C145-E148 WeakPolarHBondContact O-CB 3.3Å; C145-E148 PolarHBondContact O-N 3.23Å; C145-E148 VanDerWaalsContact O-N 3.16Å; L146-E148 VanDerWaalsContact C-N 3.3Å; L146-E148 PolarHBondContact O-N 2.98Å; E148-A150 VanDerWaalsContact C-N 3.29Å; E148-A150 PolarHBondContact O-N 3.03Å; E148-R151 WeakPolarHBondContact O-CB 3.3Å; E148-R151 PolarHBondContact O-N 3.37Å; E148-R151 WeakPolarHBondContact OE2-CD 3.42Å; E148-R151 IonicContact OE2-NE 2.62Å; E148-R151 PolarHBondContact OE2-NE 3.1Å; E148-R152 WeakPolarHBondContact O-CG 3.38Å; E148-R152 PolarHBondContact O-N 3.48Å; E148-R152 IonicContact OE1-CZ 3.52Å; E148-R152 IonicContact OE1-NE 3.71Å; E148-R152 PolarHBondContact OE1-NE 3.28Å; E148-R152 IonicContact OE1-NH2 3.84Å; E148-R152 PolarHBondContact OE1-NH2 3.2Å |
| 149 | V | 98.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -57.1 | -46.1 | 171.4 | 171.1 | 0 | 0 | 0 | 0 | 110.2 | F112 W115 C116 L120 I122 C145 L146 R152 G153 | F112-V149 HydrophobicContact CZ-CG2 4.15Å; W115-V149 HydrophobicContact CZ3-CG1 4.31Å; C116-V149 VanDerWaalsContact SG-CG2 3.59Å; L120-V149 HydrophobicContact CD1-CB 4.21Å; L120-V149 HydrophobicContact CD1-CG1 3.89Å; L120-V149 HydrophobicContact CD1-CG2 4.1Å; I122-V149 HydrophobicContact CD1-CB 4.4Å; I122-V149 HydrophobicContact CD1-CG2 3.46Å; I122-V149 VanDerWaalsContact CD1-CG2 3.46Å; C145-V149 WeakPolarHBondContact O-CG2 3.33Å; C145-V149 PolarHBondContact O-N 3.21Å; L146-V149 HydrophobicContact CD1-CB 4.39Å; L146-V149 WeakPolarHBondContact O-CB 3.4Å; L146-V149 PolarHBondContact O-N 2.88Å; V149-R152 PolarHBondContact O-N 3.48Å; V149-G153 PolarHBondContact O-N 2.9Å |
| 150 | A | 97.8 | Very high | 95.7 | Very high | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.008 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.7 | -41.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | W35 L146 L147 E148 R152 G153 S154 P161 | W35-A150 HydrophobicContact CH2-CB 3.57Å; W35-A150 HydrophobicContact CZ2-CB 3.6Å; W35-A150 HydrophobicContact CZ3-CB 4.14Å; L146-A150 PolarHBondContact O-N 3.41Å; L147-A150 PolarHBondContact O-N 2.67Å; E148-A150 VanDerWaalsContact C-N 3.29Å; E148-A150 PolarHBondContact O-N 3.03Å; A150-R152 VanDerWaalsContact C-N 3.33Å; A150-R152 PolarHBondContact O-N 2.84Å; A150-G153 PolarHBondContact O-N 3.12Å; A150-S154 PolarHBondContact O-N 2.91Å; A150-P161 VanDerWaalsContact CB-CD 3.44Å; A150-P161 HydrophobicContact CB-CG 3.7Å |
| 151 | R | 96 | Very high | 95.8 | Very high | 62 Ų | 62 | 23 Ų | 23 | 23% | 0.234 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -59.6 | -40.6 | 173.6 | -171.9 | -164.5 | -56.1 | -70.1 | -9.3 | 112.2 | L147 E148 S154 I164 E167 | L147-R151 WeakPolarHBondContact O-CB 3.35Å; L147-R151 PolarHBondContact O-N 3.37Å; E148-R151 WeakPolarHBondContact O-CB 3.3Å; E148-R151 PolarHBondContact O-N 3.37Å; E148-R151 WeakPolarHBondContact OE2-CD 3.42Å; E148-R151 IonicContact OE2-NE 2.62Å; E148-R151 PolarHBondContact OE2-NE 3.1Å; R151-S154 PolarHBondContact O-OG 3.3Å; R151-I164 HydrophobicContact CB-CD1 4.29Å; R151-I164 HydrophobicContact CB-CG2 4.26Å; R151-I164 HydrophobicContact CG-CG2 4.29Å; R151-E167 IonicContact CZ-OE2 2.66Å; R151-E167 IonicContact NH1-OE2 2.92Å; R151-E167 PolarHBondContact NH1-OE2 2.86Å; R151-E167 VanDerWaalsContact NH2-CD 3.34Å; R151-E167 IonicContact NH2-OE1 2.81Å; R151-E167 PolarHBondContact NH2-OE1 3.29Å; R151-E167 IonicContact NH2-OE2 3.82Å; R151-E167 PolarHBondContact NH2-OE2 3.48Å |
| 152 | R | 96.1 | Very high | 95.8 | Very high | 67 Ų | 67 | 22.1 Ų | 22.1 | 25% | 0.253 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -71.1 | -43.5 | 175.9 | -63.6 | -65.3 | 171.4 | 93 | 7.8 | 111.3 | L120 W121 E148 V149 A150 S154 K155 | L120-R152 HydrophobicContact CD1-CB 4.18Å; L120-R152 HydrophobicContact CD2-CB 4.08Å; L120-R152 PolarHBondContact O-NH1 2.89Å; W121-R152 PolarHBondContact O-NH1 2.96Å; E148-R152 WeakPolarHBondContact O-CG 3.38Å; E148-R152 PolarHBondContact O-N 3.48Å; E148-R152 IonicContact OE1-CZ 3.52Å; E148-R152 IonicContact OE1-NE 3.71Å; E148-R152 PolarHBondContact OE1-NE 3.28Å; E148-R152 IonicContact OE1-NH2 3.84Å; E148-R152 PolarHBondContact OE1-NH2 3.2Å; V149-R152 PolarHBondContact O-N 3.48Å; A150-R152 VanDerWaalsContact C-N 3.33Å; A150-R152 PolarHBondContact O-N 2.84Å; R152-S154 VanDerWaalsContact C-N 3.28Å; R152-S154 PolarHBondContact O-N 2.78Å; R152-K155 WeakPolarHBondContact O-CB 3.49Å; R152-K155 PolarHBondContact O-N 3.35Å |
| 153 | G | 96.1 | Very high | 95.6 | Very high | 2 Ų | 2 | 22.1 Ų | 22.1 | 2% | 0.021 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61 | -34.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | V149 A150 K155 F156 M158 | V149-G153 PolarHBondContact O-N 2.9Å; A150-G153 PolarHBondContact O-N 3.12Å; G153-K155 PolarHBondContact O-N 2.73Å; G153-F156 PolarHBondContact O-N 3.39Å; G153-M158 WeakPolarHBondContact O-CB 3.27Å; G153-M158 PolarHBondContact O-N 2.71Å |
| 154 | S | 95.4 | Very high | 95.5 | Very high | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.007 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64.2 | -27.7 | 179.3 | 77.9 | 0 | 0 | 0 | 0 | 113.4 | A150 R151 R152 F156 G157 M158 Q199 | A150-S154 PolarHBondContact O-N 2.91Å; R151-S154 PolarHBondContact O-OG 3.3Å; R152-S154 VanDerWaalsContact C-N 3.28Å; R152-S154 PolarHBondContact O-N 2.78Å; S154-F156 PolarHBondContact O-N 3.06Å; S154-G157 PolarHBondContact O-N 3.32Å; S154-M158 WeakPolarHBondContact CA-O 3.42Å; S154-Q199 VanDerWaalsContact CB-NE2 3.28Å; S154-Q199 PolarHBondContact OG-NE2 3.49Å |
| 155 | K | 92.4 | Very high | 95.4 | Very high | 79 Ų | 79 | 20.4 Ų | 20.4 | 34% | 0.343 | 11% | 0.107 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -14.1 | 174.5 | -56 | -48.1 | -176 | -162.8 | 0 | 113.1 | M84 R152 G153 E168 | M84-K155 HydrophobicContact CE-CB 3.8Å; R152-K155 WeakPolarHBondContact O-CB 3.49Å; R152-K155 PolarHBondContact O-N 3.35Å; G153-K155 PolarHBondContact O-N 2.73Å; K155-E168 IonicContact NZ-OE1 3.6Å; K155-E168 PolarHBondContact NZ-OE1 3.24Å |
| 156 | F | 92.9 | Very high | 95.1 | Very high | 16 Ų | 16 | 20.5 Ų | 20.5 | 7% | 0.07 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | 14.8 | 173.8 | -44.2 | -44.2 | 0 | 0 | 0 | 112.3 | V66 A69 A70 F73 M84 L86 P87 L120 G153 S154 | V66-F156 HydrophobicContact CG1-CD2 3.97Å; V66-F156 HydrophobicContact CG1-CE2 4.12Å; A69-F156 HydrophobicContact CB-CB 4.5Å; A70-F156 HydrophobicContact CB-CB 4.31Å; A70-F156 HydrophobicContact CB-CD1 4.31Å; A70-F156 HydrophobicContact CB-CD2 3.92Å; A70-F156 HydrophobicContact CB-CE2 4.34Å; A70-F156 HydrophobicContact CB-CG 3.91Å; F73-F156 HydrophobicContact CB-CB 4.41Å; M84-F156 HydrophobicContact CE-CD1 4.29Å; M84-F156 HydrophobicContact CE-CE1 4.04Å; L86-F156 HydrophobicContact CD2-CD1 3.68Å; L86-F156 HydrophobicContact CD2-CE1 3.51Å; L86-F156 HydrophobicContact CD2-CZ 4.36Å; P87-F156 VanDerWaalsContact CD-CZ 3.48Å; P87-F156 HydrophobicContact CG-CD2 4.42Å; P87-F156 HydrophobicContact CG-CE2 3.77Å; P87-F156 HydrophobicContact CG-CZ 4.25Å; L120-F156 HydrophobicContact CD2-CE2 4.13Å; G153-F156 PolarHBondContact O-N 3.39Å; S154-F156 PolarHBondContact O-N 3.06Å |
| 157 | G | 91.1 | Very high | 94.9 | Very high | 56 Ų | 56 | 21 Ų | 21 | 58% | 0.577 | 11% | 0.11 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 86.8 | 4.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | S154 | S154-G157 PolarHBondContact O-N 3.32Š|
| 158 | M | 94.8 | Very high | 94.6 | Very high | 20 Ų | 20 | 20.9 Ų | 20.9 | 10% | 0.099 | 11% | 0.109 | C | C | . | . | P | Polyproline II helix | trans | -68 | 147.8 | 172.5 | -62.8 | -172.1 | 67.9 | 0 | 0 | 111.3 | L39 T65 V66 A69 G153 S154 A160 | L39-M158 HydrophobicContact CD1-CE 4.22Å; T65-M158 HydrophobicContact CG2-CE 3.95Å; V66-M158 VanDerWaalsContact CA-SD 3.58Å; V66-M158 HydrophobicContact CB-SD 3.96Å; V66-M158 HydrophobicContact CG1-SD 4.33Å; V66-M158 HydrophobicContact CG2-CE 4.08Å; V66-M158 HydrophobicContact CG2-SD 3.48Å; V66-M158 WeakPolarHBondContact CG2-SD 3.37Å; A69-M158 HydrophobicContact CB-CG 3.56Å; A69-M158 HydrophobicContact CB-SD 3.97Å; G153-M158 WeakPolarHBondContact O-CB 3.27Å; G153-M158 PolarHBondContact O-N 2.71Å; S154-M158 WeakPolarHBondContact CA-O 3.42Å; M158-A160 PolarHBondContact O-N 2.89Å |
| 159 | L | 94.1 | Very high | 94.3 | Very high | 34 Ų | 34 | 22.5 Ų | 22.5 | 18% | 0.178 | 12% | 0.117 | C | C | . | . | P | Polyproline II helix | trans | -59.4 | 132.5 | 169.6 | -176.6 | 68 | 0 | 0 | 0 | 109.1 | W35 T38 L39 K200 | W35-L159 PolarHBondContact NE1-O 3.28Å; T38-L159 HydrophobicContact CG2-CD2 3.48Å; T38-L159 VanDerWaalsContact CG2-CD2 3.48Å; L39-L159 HydrophobicContact CD2-CB 4.08Å; L159-K200 HydrophobicContact CD1-CB 4.4Å; L159-K200 VanDerWaalsContact CD1-O 3.31Å; L159-K200 WeakPolarHBondContact CD1-O 3.47Å |
| 160 | A | 95.8 | Very high | 94 | Very high | 6 Ų | 6 | 22.7 Ų | 22.7 | 5% | 0.05 | 12% | 0.118 | C | C | . | . | P | Polyproline II helix | trans | -96.9 | 152.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111 | M158 I164 Q165 | M158-A160 PolarHBondContact O-N 2.89Å; A160-I164 HydrophobicContact CB-CB 4.12Å; A160-I164 HydrophobicContact CB-CG2 4.12Å; A160-Q165 HydrophobicContact CB-CG 4.19Å; A160-Q165 PolarHBondContact O-NE2 3.36Å |
| 161 | P | 95.7 | Very high | 93.6 | Very high | 2 Ų | 2 | 27.3 Ų | 27.3 | 1% | 0.013 | 14% | 0.139 | C | C | . | . | P | Polyproline II helix | trans | -55.8 | 154.8 | 165.9 | -18.5 | 27.3 | 0 | 0 | 0 | 111.2 | D31 L32 W35 A150 L163 I164 Q165 | D31-P161 WeakPolarHBondContact OD2-CB 3.41Å; L32-P161 HydrophobicContact CD2-CG 4.03Å; W35-P161 HydrophobicContact CB-CB 4.16Å; W35-P161 HydrophobicContact CB-CG 4.03Å; W35-P161 HydrophobicContact CD2-CG 3.68Å; W35-P161 HydrophobicContact CE3-CG 4.1Å; W35-P161 HydrophobicContact CG-CB 4.23Å; W35-P161 HydrophobicContact CG-CG 3.64Å; A150-P161 VanDerWaalsContact CB-CD 3.44Å; A150-P161 HydrophobicContact CB-CG 3.7Å; P161-L163 PolarHBondContact O-N 2.93Å; P161-I164 HydrophobicContact CG-CG1 4.38Å; P161-I164 PolarHBondContact O-N 3.3Å; P161-I164 VanDerWaalsContact O-N 3.15Å; P161-Q165 PolarHBondContact O-N 3.45Å |
| 162 | M | 94.2 | Very high | 93.4 | Very high | 34 Ų | 34 | 27.3 Ų | 27.3 | 17% | 0.167 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.4 | -34.7 | -175.7 | -171.9 | 162.2 | 57.1 | 0 | 0 | 111.4 | D31 I164 Q165 L166 C204 L250 R251 | D31-M162 VanDerWaalsContact OD1-CB 3.23Å; D31-M162 WeakPolarHBondContact OD1-CB 3.36Å; D31-M162 PolarHBondContact OD1-N 3.48Å; D31-M162 PolarHBondContact OD2-N 3.43Å; D31-M162 VanDerWaalsContact OD2-N 3.14Å; M162-I164 VanDerWaalsContact C-N 3.29Å; M162-I164 PolarHBondContact O-N 3.3Å; M162-Q165 WeakPolarHBondContact O-CB 3.21Å; M162-Q165 PolarHBondContact O-N 2.99Å; M162-Q165 VanDerWaalsContact O-N 3.13Å; M162-L166 HydrophobicContact CG-CD1 4.39Å; M162-L166 HydrophobicContact CG-CG 4.4Å; M162-L166 VanDerWaalsContact O-CG 3.29Å; M162-L166 WeakPolarHBondContact O-CG 3.49Å; M162-L166 PolarHBondContact O-N 3Å; M162-C204 PolarHBondContact SD-SG 3.15Å; M162-L250 HydrophobicContact CB-CD1 3.82Å; M162-L250 HydrophobicContact CE-CD1 3.71Å; M162-L250 HydrophobicContact CE-CG 4.18Å; M162-L250 HydrophobicContact CG-CD1 3.97Å; M162-R251 HydrophobicContact CE-CB 4.26Å; M162-R251 HydrophobicContact CE-CG 3.29Å; M162-R251 VanDerWaalsContact CE-N 3.29Å |
| 163 | L | 93.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.9 | -40.4 | 177.5 | -171.3 | 65.2 | 0 | 0 | 0 | 112.7 | M28 D31 L147 P161 L166 E167 L250 M255 W262 | M28-L163 HydrophobicContact CE-CD2 3.96Å; M28-L163 HydrophobicContact CG-CD2 3.9Å; D31-L163 VanDerWaalsContact OD2-CB 3.27Å; D31-L163 WeakPolarHBondContact OD2-CB 3.27Å; D31-L163 PolarHBondContact OD2-N 3.41Å; L147-L163 HydrophobicContact CD1-CD2 3.96Å; L147-L163 HydrophobicContact CD2-CD2 4.15Å; P161-L163 PolarHBondContact O-N 2.93Å; L163-L166 PolarHBondContact O-N 3.28Å; L163-E167 WeakPolarHBondContact O-CG 3.36Å; L163-E167 PolarHBondContact O-N 3.29Å; L163-E167 VanDerWaalsContact O-N 3.14Å; L163-L250 HydrophobicContact CB-CD1 3.99Å; L163-L250 HydrophobicContact CB-CD2 4.5Å; L163-L250 HydrophobicContact CD1-CD1 4.34Å; L163-L250 HydrophobicContact CD1-CD2 4.14Å; L163-M255 HydrophobicContact CD1-CE 4.35Å; L163-W262 HydrophobicContact CD1-CB 4.49Å; L163-W262 HydrophobicContact CD1-CD2 3.65Å; L163-W262 HydrophobicContact CD1-CE3 4.31Å; L163-W262 HydrophobicContact CD1-CG 3.75Å; L163-W262 HydrophobicContact CD1-CZ2 4.12Å; L163-W262 HydrophobicContact CG-CG 4.42Å |
| 164 | I | 94.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -70.8 | -38 | 177.9 | -57.7 | -57.2 | 0 | 0 | 0 | 110.7 | L147 R151 A160 P161 M162 L166 E167 E168 | L147-I164 HydrophobicContact CB-CD1 4.35Å; L147-I164 HydrophobicContact CD2-CD1 4.18Å; L147-I164 HydrophobicContact CD2-CG1 4.33Å; R151-I164 HydrophobicContact CB-CD1 4.29Å; R151-I164 HydrophobicContact CB-CG2 4.26Å; R151-I164 HydrophobicContact CG-CG2 4.29Å; A160-I164 HydrophobicContact CB-CB 4.12Å; A160-I164 HydrophobicContact CB-CG2 4.12Å; P161-I164 HydrophobicContact CG-CG1 4.38Å; P161-I164 PolarHBondContact O-N 3.3Å; P161-I164 VanDerWaalsContact O-N 3.15Å; M162-I164 VanDerWaalsContact C-N 3.29Å; M162-I164 PolarHBondContact O-N 3.3Å; I164-L166 VanDerWaalsContact C-N 3.32Å; I164-L166 PolarHBondContact O-N 2.91Å; I164-E167 VanDerWaalsContact CD1-OE2 3.27Å; I164-E167 WeakPolarHBondContact CD1-OE2 3.5Å; I164-E167 WeakPolarHBondContact O-CB 3.48Å; I164-E167 PolarHBondContact O-N 3.39Å; I164-E168 PolarHBondContact O-N 2.92Å; I164-E168 VanDerWaalsContact O-N 3.13Å |
| 165 | Q | 94.1 | Very high | 92.4 | Very high | 13 Ų | 13 | 34.3 Ų | 34.3 | 6% | 0.061 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.6 | -41.3 | 175.5 | -62.1 | 176.3 | 45.5 | 0 | 0 | 111.4 | A160 P161 M162 E167 E168 E169 R201 | A160-Q165 HydrophobicContact CB-CG 4.19Å; A160-Q165 PolarHBondContact O-NE2 3.36Å; P161-Q165 PolarHBondContact O-N 3.45Å; M162-Q165 WeakPolarHBondContact O-CB 3.21Å; M162-Q165 PolarHBondContact O-N 2.99Å; M162-Q165 VanDerWaalsContact O-N 3.13Å; Q165-E167 VanDerWaalsContact C-N 3.31Å; Q165-E167 PolarHBondContact O-N 2.91Å; Q165-E168 PolarHBondContact O-N 3.28Å; Q165-E169 WeakPolarHBondContact O-CB 3.48Å; Q165-E169 PolarHBondContact O-N 3.22Å; Q165-R201 VanDerWaalsContact OE1-CA 3.24Å |
| 166 | L | 92.1 | Very high | 92.1 | Very high | 3 Ų | 3 | 35.2 Ų | 35.2 | 2% | 0.016 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.8 | -34 | 176.1 | -66.8 | 173.6 | 0 | 0 | 0 | 112.2 | M162 L163 I164 I170 R248 L250 W262 | M162-L166 HydrophobicContact CG-CD1 4.39Å; M162-L166 HydrophobicContact CG-CG 4.4Å; M162-L166 VanDerWaalsContact O-CG 3.29Å; M162-L166 WeakPolarHBondContact O-CG 3.49Å; M162-L166 PolarHBondContact O-N 3Å; L163-L166 PolarHBondContact O-N 3.28Å; I164-L166 VanDerWaalsContact C-N 3.32Å; I164-L166 PolarHBondContact O-N 2.91Å; L166-I170 WeakPolarHBondContact O-CB 3.48Å; L166-I170 WeakPolarHBondContact O-CD1 3.44Å; L166-I170 VanDerWaalsContact O-CG1 3.23Å; L166-I170 WeakPolarHBondContact O-CG1 3.4Å; L166-I170 PolarHBondContact O-N 3.15Å; L166-R248 HydrophobicContact CB-CG 4.5Å; L166-R248 HydrophobicContact CD1-CB 3.89Å; L166-R248 HydrophobicContact CD2-CB 4.02Å; L166-R248 HydrophobicContact CD2-CG 3.97Å; L166-R248 HydrophobicContact CG-CB 4.41Å; L166-L250 HydrophobicContact CD1-CB 4.35Å; L166-L250 HydrophobicContact CD1-CD1 3.96Å; L166-W262 HydrophobicContact CB-CH2 3.98Å; L166-W262 HydrophobicContact CB-CZ2 3.94Å |
| 167 | E | 92.7 | Very high | 91.7 | Very high | 13 Ų | 13 | 38.3 Ų | 38.3 | 6% | 0.061 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65 | -46.6 | 174.5 | -71.1 | 166.6 | 163.2 | 0 | 0 | 111.8 | R151 L163 I164 Q165 E169 I170 E171 W262 | R151-E167 IonicContact CZ-OE2 2.66Å; R151-E167 IonicContact NH1-OE2 2.92Å; R151-E167 PolarHBondContact NH1-OE2 2.86Å; R151-E167 VanDerWaalsContact NH2-CD 3.34Å; R151-E167 IonicContact NH2-OE1 2.81Å; R151-E167 PolarHBondContact NH2-OE1 3.29Å; R151-E167 IonicContact NH2-OE2 3.82Å; R151-E167 PolarHBondContact NH2-OE2 3.48Å; L163-E167 WeakPolarHBondContact O-CG 3.36Å; L163-E167 PolarHBondContact O-N 3.29Å; L163-E167 VanDerWaalsContact O-N 3.14Å; I164-E167 VanDerWaalsContact CD1-OE2 3.27Å; I164-E167 WeakPolarHBondContact CD1-OE2 3.5Å; I164-E167 WeakPolarHBondContact O-CB 3.48Å; I164-E167 PolarHBondContact O-N 3.39Å; Q165-E167 VanDerWaalsContact C-N 3.31Å; Q165-E167 PolarHBondContact O-N 2.91Å; E167-E169 VanDerWaalsContact C-N 3.34Å; E167-I170 PolarHBondContact O-N 2.9Å; E167-E171 WeakPolarHBondContact O-CB 3.42Å; E167-E171 WeakPolarHBondContact O-CG 3.18Å; E167-E171 PolarHBondContact O-N 3.24Å; E167-W262 HydrophobicContact CG-CZ2 3.65Å; E167-W262 PolarHBondContact OE1-NE1 3.42Å |
| 168 | E | 91.3 | Very high | 91.2 | Very high | 7 Ų | 7 | 41.9 Ų | 41.9 | 3% | 0.033 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.9 | -40.1 | 179.5 | -69.2 | 172.3 | 158.2 | 0 | 0 | 111.2 | K155 I164 Q165 I170 E171 E172 Q199 | K155-E168 IonicContact NZ-OE1 3.6Å; K155-E168 PolarHBondContact NZ-OE1 3.24Å; I164-E168 PolarHBondContact O-N 2.92Å; I164-E168 VanDerWaalsContact O-N 3.13Å; Q165-E168 PolarHBondContact O-N 3.28Å; E168-I170 PolarHBondContact O-N 3.3Å; E168-E171 PolarHBondContact O-N 3.43Å; E168-E172 WeakPolarHBondContact O-CB 3.43Å; E168-E172 WeakPolarHBondContact O-CG 3.37Å; E168-E172 PolarHBondContact O-N 3.06Å; E168-Q199 PolarHBondContact OE1-NE2 3.43Å; E168-Q199 PolarHBondContact OE1-OE1 3.25Å; E168-Q199 VanDerWaalsContact OE1-OE1 3.05Å; E168-Q199 PolarHBondContact OE2-NE2 2.98Å; E168-Q199 PolarHBondContact OE2-OE1 3.48Å |
| 169 | E | 91.7 | Very high | 90.4 | Very high | 56 Ų | 56 | 46.3 Ų | 46.3 | 26% | 0.262 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -58.2 | -46.1 | 172.1 | -175.3 | -162.2 | 129.2 | 0 | 0 | 111.5 | Q165 E167 E172 E173 R248 | Q165-E169 WeakPolarHBondContact O-CB 3.48Å; Q165-E169 PolarHBondContact O-N 3.22Å; E167-E169 VanDerWaalsContact C-N 3.34Å; E169-E172 PolarHBondContact O-N 2.97Å; E169-E173 WeakPolarHBondContact O-CB 2.93Å; E169-E173 WeakPolarHBondContact O-CG 3.24Å; E169-E173 PolarHBondContact O-N 3.47Å; E169-R248 IonicContact OE1-CZ 2.84Å; E169-R248 VanDerWaalsContact OE1-CZ 3.26Å; E169-R248 IonicContact OE1-NE 3.26Å; E169-R248 PolarHBondContact OE1-NE 2.99Å; E169-R248 IonicContact OE1-NH2 2.89Å; E169-R248 PolarHBondContact OE1-NH2 3.18Å |
| 170 | I | 91.1 | Very high | 89.4 | Confident | 5 Ų | 5 | 48.7 Ų | 48.7 | 3% | 0.026 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.7 | -40.3 | 177.3 | -70.9 | 164.9 | 0 | 0 | 0 | 111.1 | L166 E167 E168 E173 I174 F246 R248 R257 W262 | L166-I170 WeakPolarHBondContact O-CB 3.48Å; L166-I170 WeakPolarHBondContact O-CD1 3.44Å; L166-I170 VanDerWaalsContact O-CG1 3.23Å; L166-I170 WeakPolarHBondContact O-CG1 3.4Å; L166-I170 PolarHBondContact O-N 3.15Å; E167-I170 PolarHBondContact O-N 2.9Å; E168-I170 PolarHBondContact O-N 3.3Å; I170-E173 PolarHBondContact O-N 3.24Å; I170-I174 HydrophobicContact CG2-CD1 3.68Å; I170-I174 HydrophobicContact CG2-CG1 4.34Å; I170-I174 WeakPolarHBondContact O-CB 3.36Å; I170-I174 WeakPolarHBondContact O-CD1 3.48Å; I170-I174 WeakPolarHBondContact O-CG1 3.36Å; I170-I174 PolarHBondContact O-N 2.97Å; I170-F246 HydrophobicContact CD1-CB 3.72Å; I170-F246 HydrophobicContact CD1-CG 4.41Å; I170-F246 HydrophobicContact CG1-CB 4.02Å; I170-F246 HydrophobicContact CG1-CD1 4.25Å; I170-F246 HydrophobicContact CG1-CG 4.28Å; I170-F246 HydrophobicContact CG2-CB 4.16Å; I170-F246 HydrophobicContact CG2-CD1 3.81Å; I170-F246 HydrophobicContact CG2-CD2 3.9Å; I170-F246 HydrophobicContact CG2-CE1 4.16Å; I170-F246 HydrophobicContact CG2-CE2 4.28Å; I170-F246 HydrophobicContact CG2-CG 3.68Å; I170-F246 HydrophobicContact CG2-CZ 4.4Å; I170-R248 HydrophobicContact CD1-CG 4.14Å; I170-R257 HydrophobicContact CD1-CB 4.07Å; I170-R257 HydrophobicContact CD1-CG 4.33Å; I170-W262 HydrophobicContact CD1-CH2 3.39Å; I170-W262 HydrophobicContact CD1-CZ2 3.91Å; I170-W262 HydrophobicContact CD1-CZ3 4.26Å |
| 171 | E | 90.8 | Very high | 87.7 | Confident | 98 Ų | 98 | 53 Ų | 53 | 46% | 0.458 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.9 | -39.8 | 177.7 | -75.5 | 175 | -171.6 | 0 | 0 | 112.1 | E167 E168 I174 R175 | E167-E171 WeakPolarHBondContact O-CB 3.42Å; E167-E171 WeakPolarHBondContact O-CG 3.18Å; E167-E171 PolarHBondContact O-N 3.24Å; E168-E171 PolarHBondContact O-N 3.43Å; E171-I174 PolarHBondContact O-N 3.31Å; E171-R175 WeakPolarHBondContact O-CB 2.83Å; E171-R175 PolarHBondContact O-N 3.3Å |
| 172 | E | 90.3 | Very high | 85.9 | Confident | 62 Ų | 62 | 59.5 Ų | 59.5 | 29% | 0.29 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.6 | -50.3 | 171.7 | -75.2 | 169.5 | -176.7 | 0 | 0 | 111 | E168 E169 I174 R175 D176 R201 | E168-E172 WeakPolarHBondContact O-CB 3.43Å; E168-E172 WeakPolarHBondContact O-CG 3.37Å; E168-E172 PolarHBondContact O-N 3.06Å; E169-E172 PolarHBondContact O-N 2.97Å; E172-I174 PolarHBondContact O-N 3.21Å; E172-R175 WeakPolarHBondContact O-CB 3.07Å; E172-R175 PolarHBondContact O-N 2.97Å; E172-D176 PolarHBondContact O-N 3.32Å; E172-R201 IonicContact OE1-CZ 2.9Å; E172-R201 IonicContact OE1-NH1 2.86Å; E172-R201 IonicContact OE1-NH2 3.73Å; E172-R201 PolarHBondContact OE1-NH2 3.33Å; E172-R201 IonicContact OE2-CZ 3.75Å; E172-R201 IonicContact OE2-NH1 2.77Å; E172-R201 PolarHBondContact OE2-NH1 2.98Å; E172-R201 IonicContact OE2-NH2 2.87Å; E172-R201 PolarHBondContact OE2-NH2 3.49Å; E172-R201 VanDerWaalsContact OE2-NH2 3.14Å |
| 173 | E | 90.2 | Very high | 83.6 | Confident | 49 Ų | 49 | 62.5 Ų | 62.5 | 23% | 0.229 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -58.7 | -33.9 | 177.1 | -80.7 | -175 | -175.3 | 0 | 0 | 113.9 | E169 I170 Q177 K235 R248 | E169-E173 WeakPolarHBondContact O-CB 2.93Å; E169-E173 WeakPolarHBondContact O-CG 3.24Å; E169-E173 PolarHBondContact O-N 3.47Å; I170-E173 PolarHBondContact O-N 3.24Å; E173-Q177 WeakPolarHBondContact O-CB 2.71Å; E173-Q177 VanDerWaalsContact O-CG 3.25Å; E173-Q177 WeakPolarHBondContact O-CG 3.39Å; E173-Q177 PolarHBondContact O-N 2.66Å; E173-K235 WeakPolarHBondContact OE2-CE 3.31Å; E173-K235 IonicContact OE2-NZ 3.32Å; E173-K235 PolarHBondContact OE2-NZ 2.92Å; E173-R248 IonicContact OE1-CZ 2.77Å; E173-R248 IonicContact OE1-NH2 3.95Å; E173-R248 PolarHBondContact OE1-NH2 3.05Å; E173-R248 IonicContact OE2-CZ 2.57Å; E173-R248 IonicContact OE2-NH2 3.99Å; E173-R248 PolarHBondContact OE2-NH2 3.5Å |
| 174 | I | 88.2 | Confident | 81.6 | Confident | 57 Ų | 57 | 68.6 Ų | 68.6 | 29% | 0.292 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -71.9 | -38.5 | 175.8 | -71.9 | 165.2 | 0 | 0 | 0 | 110.5 | I170 E171 E172 K178 F246 | I170-I174 HydrophobicContact CG2-CD1 3.68Å; I170-I174 HydrophobicContact CG2-CG1 4.34Å; I170-I174 WeakPolarHBondContact O-CB 3.36Å; I170-I174 WeakPolarHBondContact O-CD1 3.48Å; I170-I174 WeakPolarHBondContact O-CG1 3.36Å; I170-I174 PolarHBondContact O-N 2.97Å; E171-I174 PolarHBondContact O-N 3.31Å; E172-I174 PolarHBondContact O-N 3.21Å; I174-K178 HydrophobicContact CG2-CD 4.49Å; I174-K178 WeakPolarHBondContact O-CG 3.47Å; I174-K178 PolarHBondContact O-N 3.13Å; I174-F246 HydrophobicContact CD1-CE2 3.81Å; I174-F246 HydrophobicContact CD1-CZ 3.79Å; I174-F246 HydrophobicContact CG1-CE1 4.05Å; I174-F246 HydrophobicContact CG1-CE2 4Å; I174-F246 HydrophobicContact CG1-CZ 3.43Å; I174-F246 VanDerWaalsContact CG1-CZ 3.43Å |
| 175 | R | 88.8 | Confident | 79.3 | Confident | 111 Ų | 111 | 76.2 Ų | 76.2 | 42% | 0.419 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -65.4 | -52.4 | 178.5 | -173.7 | -167.7 | -52.8 | -111.3 | -1.3 | 110.9 | E171 E172 Q177 K178 E179 | E171-R175 WeakPolarHBondContact O-CB 2.83Å; E171-R175 PolarHBondContact O-N 3.3Å; E172-R175 WeakPolarHBondContact O-CB 3.07Å; E172-R175 PolarHBondContact O-N 2.97Å; R175-Q177 PolarHBondContact O-N 3.03Å; R175-K178 WeakPolarHBondContact O-CB 3.41Å; R175-K178 PolarHBondContact O-N 3.07Å; R175-E179 WeakPolarHBondContact CG-OE1 3.34Å; R175-E179 PolarHBondContact O-N 3.11Å |
| 176 | D | 87.1 | Confident | 76.9 | Confident | 98 Ų | 98 | 82.8 Ų | 82.8 | 52% | 0.524 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -57.9 | -37.8 | 179.8 | -64.7 | -2.7 | 0 | 0 | 0 | 111.4 | E172 E179 S180 | E172-D176 PolarHBondContact O-N 3.32Å; D176-E179 PolarHBondContact O-N 3.4Å; D176-S180 WeakPolarHBondContact O-CB 3.37Å; D176-S180 PolarHBondContact O-N 3.28Å; D176-S180 PolarHBondContact O-OG 3.5Å |
| 177 | Q | 83.6 | Confident | 74.8 | Confident | 80 Ų | 80 | 92.4 Ų | 92.4 | 37% | 0.374 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.8 | -40.1 | 175.3 | -79.8 | -174.8 | -13.4 | 0 | 0 | 113 | E173 R175 S180 C181 | E173-Q177 WeakPolarHBondContact O-CB 2.71Å; E173-Q177 VanDerWaalsContact O-CG 3.25Å; E173-Q177 WeakPolarHBondContact O-CG 3.39Å; E173-Q177 PolarHBondContact O-N 2.66Å; R175-Q177 PolarHBondContact O-N 3.03Å; Q177-S180 PolarHBondContact O-N 3.44Å; Q177-S180 PolarHBondContact O-OG 3.34Å; Q177-C181 WeakPolarHBondContact O-CB 3.26Å; Q177-C181 PolarHBondContact O-N 2.66Å; Q177-C181 VanDerWaalsContact O-N 3.15Å |
| 178 | K | 81.3 | Confident | 72.8 | Confident | 132 Ų | 132 | 100 Ų | 100 | 57% | 0.574 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65 | -44.3 | 176.2 | -73.8 | 174.4 | -179.8 | 179.3 | 0 | 111.1 | I174 R175 S180 C181 H182 | I174-K178 HydrophobicContact CG2-CD 4.49Å; I174-K178 WeakPolarHBondContact O-CG 3.47Å; I174-K178 PolarHBondContact O-N 3.13Å; R175-K178 WeakPolarHBondContact O-CB 3.41Å; R175-K178 PolarHBondContact O-N 3.07Å; K178-S180 VanDerWaalsContact C-N 3.35Å; K178-S180 PolarHBondContact O-N 3.46Å; K178-C181 PolarHBondContact O-N 2.81Å; K178-C181 VanDerWaalsContact O-N 3.13Å; K178-H182 PolarHBondContact O-CD2 3.22Å; K178-H182 PolarHBondContact O-N 3.48Å |
| 179 | E | 77.8 | Confident | 70.7 | Confident | 113 Ų | 113 | 108.5 Ų | 108.5 | 53% | 0.528 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.6 | -42.1 | 178 | -69.2 | 173.1 | -167.2 | 0 | 0 | 111.4 | R175 D176 C181 H182 | R175-E179 WeakPolarHBondContact CG-OE1 3.34Å; R175-E179 PolarHBondContact O-N 3.11Å; D176-E179 PolarHBondContact O-N 3.4Å; E179-C181 PolarHBondContact O-N 2.91Å; E179-H182 PolarHBondContact O-N 3.22Å |
| 180 | S | 72.8 | Confident | 68.4 | Low | 84 Ų | 84 | 111.6 Ų | 111.6 | 59% | 0.587 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -66.5 | -21.8 | 175.4 | 75.4 | 0 | 0 | 0 | 0 | 114.5 | D176 Q177 K178 S183 | D176-S180 WeakPolarHBondContact O-CB 3.37Å; D176-S180 PolarHBondContact O-N 3.28Å; D176-S180 PolarHBondContact O-OG 3.5Å; Q177-S180 PolarHBondContact O-N 3.44Å; Q177-S180 PolarHBondContact O-OG 3.34Å; K178-S180 VanDerWaalsContact C-N 3.35Å; K178-S180 PolarHBondContact O-N 3.46Å; S180-S183 PolarHBondContact O-OG 3.16Å |
| 181 | C | 60 | Low | 66.4 | Low | 97 Ų | 97 | 119.8 Ų | 119.8 | 66% | 0.655 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -93.4 | -23.8 | 179.9 | -171.4 | 0 | 0 | 0 | 0 | 112.5 | Q177 K178 E179 | Q177-C181 WeakPolarHBondContact O-CB 3.26Å; Q177-C181 PolarHBondContact O-N 2.66Å; Q177-C181 VanDerWaalsContact O-N 3.15Å; K178-C181 PolarHBondContact O-N 2.81Å; K178-C181 VanDerWaalsContact O-N 3.13Å; E179-C181 PolarHBondContact O-N 2.91Å |
| 182 | H | 56.8 | Low | 64.1 | Low | 137 Ų | 137 | 120.9 Ų | 120.9 | 63% | 0.634 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -87.1 | 0.9 | -179.7 | -89.2 | -70.2 | 0 | 0 | 0 | 114.2 | K178 E179 V184 | K178-H182 PolarHBondContact O-CD2 3.22Å; K178-H182 PolarHBondContact O-N 3.48Å; E179-H182 PolarHBondContact O-N 3.22Å; H182-V184 PolarHBondContact O-N 3.11Å |
| 183 | S | 47.3 | Very low | 62.1 | Low | 98 Ų | 98 | 126.1 Ų | 126.1 | 69% | 0.685 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | 26.1 | -178.1 | 67.6 | 0 | 0 | 0 | 0 | 115.4 | S180 | S180-S183 PolarHBondContact O-OG 3.16Š|
| 184 | V | 50.8 | Low | 60.1 | Low | 127 Ų | 127 | 128 Ų | 128 | 77% | 0.77 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131 | -17.6 | 176.3 | -101.2 | 0 | 0 | 0 | 0 | 115.7 | H182 | H182-V184 PolarHBondContact O-N 3.11Š|
| 185 | E | 47.8 | Very low | 58 | Low | 161 Ų | 161 | 132.3 Ų | 132.3 | 75% | 0.752 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -146.1 | 122.6 | 179.1 | -60.8 | -178.2 | 171.4 | 0 | 0 | 109.2 | ||
| 186 | D | 43.1 | Very low | 56.3 | Low | 150 Ų | 150 | 131.2 Ų | 131.2 | 80% | 0.802 | 69% | 0.686 | S | S | * | * | trans | 93.3 | 96.5 | 176.2 | -60.1 | -37.9 | 0 | 0 | 0 | 118.5 | E188 | D186-E188 PolarHBondContact O-N 3.31Š| ||
| 187 | E | 47.1 | Very low | 54.8 | Low | 205 Ų | 205 | 128.6 Ų | 128.6 | 96% | 0.958 | 67% | 0.669 | S | S | * | * | trans | -69.8 | 73 | 157.2 | -61.4 | -95.6 | 154.9 | 0 | 0 | 109.2 | ||||
| 188 | E | 50.6 | Low | 53.4 | Low | 173 Ų | 173 | 130.4 Ų | 130.4 | 81% | 0.808 | 69% | 0.687 | S | S | * | * | trans | -93.8 | 134.9 | 162.1 | -77.6 | -167.8 | 151 | 0 | 0 | 109.4 | D186 | D186-E188 PolarHBondContact O-N 3.31Š| ||
| 189 | E | 47.3 | Very low | 52.4 | Low | 186 Ų | 186 | 125.4 Ų | 125.4 | 87% | 0.869 | 67% | 0.666 | S | S | * | * | trans | -49.7 | 132.2 | 177.9 | -77 | -168.4 | 151.8 | 0 | 0 | 110.1 | E191 | E189-E191 PolarHBondContact O-N 2.87Š| ||
| 190 | P | 43.6 | Very low | 51.4 | Low | 120 Ų | 120 | 127.8 Ų | 127.8 | 78% | 0.779 | 68% | 0.675 | S | S | * | * | trans | -61.5 | 114.9 | 179.7 | 23.6 | -30.8 | 0 | 0 | 0 | 109 | ||||
| 191 | E | 49.5 | Very low | 50.8 | Low | 178 Ų | 178 | 128.2 Ų | 128.2 | 83% | 0.832 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -49.2 | 133.3 | 165.6 | -112.9 | -179.3 | 173.4 | 0 | 0 | 107.7 | E189 E193 | E189-E191 PolarHBondContact O-N 2.87Å; E191-E193 PolarHBondContact O-N 3.44Å |
| 192 | P | 41.7 | Very low | 50.9 | Low | 120 Ų | 120 | 127.9 Ų | 127.9 | 78% | 0.779 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 116.9 | -176.4 | 21.2 | -31.4 | 0 | 0 | 0 | 108.8 | ||
| 193 | E | 49.5 | Very low | 50.7 | Low | 172 Ų | 172 | 129.3 Ų | 129.3 | 80% | 0.804 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -49.8 | 125.3 | -178 | -73 | 179.2 | -170.9 | 0 | 0 | 109 | E191 Y195 | E191-E193 PolarHBondContact O-N 3.44Å; E193-Y195 PolarHBondContact O-N 3.32Å |
| 194 | P | 46.9 | Very low | 51.1 | Low | 88 Ų | 88 | 126.7 Ų | 126.7 | 57% | 0.571 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 117 | 175.5 | 22.3 | -29.8 | 0 | 0 | 0 | 107.2 | V196 | P194-V196 VanDerWaalsContact O-CG2 3.27Å; P194-V196 WeakPolarHBondContact O-CG2 3.29Å; P194-V196 PolarHBondContact O-N 3.24Å |
| 195 | Y | 45.5 | Very low | 51.3 | Low | 149 Ų | 149 | 125.5 Ų | 125.5 | 58% | 0.584 | 64% | 0.64 | S | S | * | * | trans | -49.1 | 109.8 | -178.1 | -174.2 | -80.6 | 0 | 0 | 0 | 110.3 | E193 W197 | E193-Y195 PolarHBondContact O-N 3.32Å; Y195-W197 AromaticContact CD1-CD1 3.87Å; Y195-W197 AromaticContact CD1-CD2 3.91Å; Y195-W197 HydrophobicContact CD1-CD2 3.91Å; Y195-W197 AromaticContact CD1-CE2 3.39Å; Y195-W197 HydrophobicContact CD1-CG 4.12Å; Y195-W197 HydrophobicContact CD1-CH2 4.21Å; Y195-W197 AromaticContact CD1-CZ2 3.58Å; Y195-W197 HydrophobicContact CD1-CZ2 3.58Å; Y195-W197 AromaticContact CD1-NE1 3.43Å; Y195-W197 AromaticContact CE1-CD2 3.36Å; Y195-W197 HydrophobicContact CE1-CD2 3.36Å; Y195-W197 AromaticContact CE1-CE2 3.13Å; Y195-W197 AromaticContact CE1-CE3 3.64Å; Y195-W197 HydrophobicContact CE1-CE3 3.64Å; Y195-W197 AromaticContact CE1-CG 3.93Å; Y195-W197 HydrophobicContact CE1-CG 3.93Å; Y195-W197 AromaticContact CE1-CH2 3.29Å; Y195-W197 HydrophobicContact CE1-CH2 3.29Å; Y195-W197 AromaticContact CE1-CZ2 3.11Å; Y195-W197 HydrophobicContact CE1-CZ2 3.11Å; Y195-W197 AromaticContact CE1-CZ3 3.62Å; Y195-W197 HydrophobicContact CE1-CZ3 3.62Å; Y195-W197 AromaticContact CE1-NE1 3.7Å; Y195-W197 AromaticContact CZ-CH2 3.58Å; Y195-W197 AromaticContact CZ-CZ2 3.81Å; Y195-W197 AromaticContact CZ-CZ3 3.94Å; Y195-W197 WeakPolarHBondContact OH-CH2 3.29Å; Y195-W197 WeakPolarHBondContact OH-CZ3 3.49Å | ||
| 196 | V | 53.2 | Low | 51.7 | Low | 88 Ų | 88 | 119.4 Ų | 119.4 | 53% | 0.533 | 61% | 0.612 | S | S | . | * | trans | -91 | 110.2 | 178.1 | -174 | 0 | 0 | 0 | 0 | 107.8 | P194 | P194-V196 VanDerWaalsContact O-CG2 3.27Å; P194-V196 WeakPolarHBondContact O-CG2 3.29Å; P194-V196 PolarHBondContact O-N 3.24Å | ||
| 197 | W | 54.9 | Low | 52.5 | Low | 43 Ų | 43 | 121.8 Ų | 121.8 | 16% | 0.163 | 61% | 0.61 | C | S | . | * | trans | -61.4 | 134.1 | 174.7 | -74.6 | 92.7 | 0 | 0 | 0 | 110.3 | F73 N77 A80 Y195 Q199 | F73-W197 AromaticContact CE2-CD1 3.86Å; F73-W197 AromaticContact CE2-CD2 3.49Å; F73-W197 HydrophobicContact CE2-CD2 3.49Å; F73-W197 VanDerWaalsContact CE2-CD2 3.49Å; F73-W197 AromaticContact CE2-CE2 3.22Å; F73-W197 HydrophobicContact CE2-CE3 4.08Å; F73-W197 AromaticContact CE2-CG 3.96Å; F73-W197 HydrophobicContact CE2-CG 3.96Å; F73-W197 HydrophobicContact CE2-CH2 4.38Å; F73-W197 AromaticContact CE2-CZ2 3.72Å; F73-W197 HydrophobicContact CE2-CZ2 3.72Å; F73-W197 HydrophobicContact CE2-CZ3 4.49Å; F73-W197 AromaticContact CE2-NE1 3.4Å; F73-W197 HydrophobicContact CZ-CD2 4.17Å; F73-W197 AromaticContact CZ-CE2 3.44Å; F73-W197 VanDerWaalsContact CZ-CE2 3.44Å; F73-W197 AromaticContact CZ-CZ2 3.81Å; F73-W197 HydrophobicContact CZ-CZ2 3.81Å; F73-W197 AromaticContact CZ-NE1 3.28Å; F73-W197 VanDerWaalsContact CZ-NE1 3.28Å; N77-W197 HydrophobicContact CB-CH2 3.29Å; N77-W197 HydrophobicContact CB-CZ2 3.53Å; N77-W197 HydrophobicContact CB-CZ3 4.15Å; N77-W197 WeakPolarHBondContact ND2-CH2 3.48Å; N77-W197 WeakPolarHBondContact ND2-CZ3 3.48Å; N77-W197 WeakPolarHBondContact OD1-CH2 3.3Å; N77-W197 WeakPolarHBondContact OD1-CZ3 3.33Å; A80-W197 HydrophobicContact CB-CZ2 3.45Å; A80-W197 VanDerWaalsContact CB-CZ2 3.45Å; Y195-W197 AromaticContact CD1-CD1 3.87Å; Y195-W197 AromaticContact CD1-CD2 3.91Å; Y195-W197 HydrophobicContact CD1-CD2 3.91Å; Y195-W197 AromaticContact CD1-CE2 3.39Å; Y195-W197 HydrophobicContact CD1-CG 4.12Å; Y195-W197 HydrophobicContact CD1-CH2 4.21Å; Y195-W197 AromaticContact CD1-CZ2 3.58Å; Y195-W197 HydrophobicContact CD1-CZ2 3.58Å; Y195-W197 AromaticContact CD1-NE1 3.43Å; Y195-W197 AromaticContact CE1-CD2 3.36Å; Y195-W197 HydrophobicContact CE1-CD2 3.36Å; Y195-W197 AromaticContact CE1-CE2 3.13Å; Y195-W197 AromaticContact CE1-CE3 3.64Å; Y195-W197 HydrophobicContact CE1-CE3 3.64Å; Y195-W197 AromaticContact CE1-CG 3.93Å; Y195-W197 HydrophobicContact CE1-CG 3.93Å; Y195-W197 AromaticContact CE1-CH2 3.29Å; Y195-W197 HydrophobicContact CE1-CH2 3.29Å; Y195-W197 AromaticContact CE1-CZ2 3.11Å; Y195-W197 HydrophobicContact CE1-CZ2 3.11Å; Y195-W197 AromaticContact CE1-CZ3 3.62Å; Y195-W197 HydrophobicContact CE1-CZ3 3.62Å; Y195-W197 AromaticContact CE1-NE1 3.7Å; Y195-W197 AromaticContact CZ-CH2 3.58Å; Y195-W197 AromaticContact CZ-CZ2 3.81Å; Y195-W197 AromaticContact CZ-CZ3 3.94Å; Y195-W197 WeakPolarHBondContact OH-CH2 3.29Å; Y195-W197 WeakPolarHBondContact OH-CZ3 3.49Å; W197-Q199 VanDerWaalsContact C-N 3.31Å; W197-Q199 PolarHBondContact O-N 2.96Å | ||
| 198 | P | 54.7 | Low | 54 | Low | 117 Ų | 117 | 116.8 Ų | 116.8 | 76% | 0.76 | 59% | 0.59 | S | S | * | * | trans | -61.1 | 94.8 | 172.5 | -20.1 | 31.2 | 0 | 0 | 0 | 109.6 | ||||
| 199 | Q | 58.8 | Low | 55.6 | Low | 28 Ų | 28 | 108.7 Ų | 108.7 | 13% | 0.131 | 55% | 0.552 | C | S | . | * | trans | -71.9 | 137.7 | 177.8 | -76 | 171.7 | -93.8 | 0 | 0 | 108.9 | S154 E168 W197 R201 | S154-Q199 VanDerWaalsContact CB-NE2 3.28Å; S154-Q199 PolarHBondContact OG-NE2 3.49Å; E168-Q199 PolarHBondContact OE1-NE2 3.43Å; E168-Q199 PolarHBondContact OE1-OE1 3.25Å; E168-Q199 VanDerWaalsContact OE1-OE1 3.05Å; E168-Q199 PolarHBondContact OE2-NE2 2.98Å; E168-Q199 PolarHBondContact OE2-OE1 3.48Å; W197-Q199 VanDerWaalsContact C-N 3.31Å; W197-Q199 PolarHBondContact O-N 2.96Å; Q199-R201 PolarHBondContact O-N 3.31Å | ||
| 200 | K | 57.4 | Low | 57.3 | Low | 163 Ų | 163 | 101.6 Ų | 101.6 | 71% | 0.709 | 52% | 0.52 | S | S | * | . | trans | -69.6 | 95.6 | 177.8 | -161.4 | 173.5 | -173.6 | 176.5 | 0 | 108.4 | L159 | L159-K200 HydrophobicContact CD1-CB 4.4Å; L159-K200 VanDerWaalsContact CD1-O 3.31Å; L159-K200 WeakPolarHBondContact CD1-O 3.47Å | ||
| 201 | R | 59.5 | Low | 59.3 | Low | 93 Ų | 93 | 101.7 Ų | 101.7 | 35% | 0.351 | 51% | 0.51 | S | S | . | . | P | Polyproline II helix | trans | -91.1 | 142.3 | -179.6 | -66.6 | -176.8 | -175.3 | 172.2 | 8 | 111.4 | Q165 E172 Q199 | Q165-R201 VanDerWaalsContact OE1-CA 3.24Å; E172-R201 IonicContact OE1-CZ 2.9Å; E172-R201 IonicContact OE1-NH1 2.86Å; E172-R201 IonicContact OE1-NH2 3.73Å; E172-R201 PolarHBondContact OE1-NH2 3.33Å; E172-R201 IonicContact OE2-CZ 3.75Å; E172-R201 IonicContact OE2-NH1 2.77Å; E172-R201 PolarHBondContact OE2-NH1 2.98Å; E172-R201 IonicContact OE2-NH2 2.87Å; E172-R201 PolarHBondContact OE2-NH2 3.49Å; E172-R201 VanDerWaalsContact OE2-NH2 3.14Å; Q199-R201 PolarHBondContact O-N 3.31Å |
| 202 | V | 62.6 | Low | 61.1 | Low | 89 Ų | 89 | 96.1 Ų | 96.1 | 54% | 0.539 | 49% | 0.485 | S | S | . | . | P | Polyproline II helix | trans | -96.1 | 117.8 | 165.2 | -177.7 | 0 | 0 | 0 | 0 | 106.5 | C204 | V202-C204 PolarHBondContact O-N 2.95Š|
| 203 | L | 53.8 | Low | 63.2 | Low | 167 Ų | 167 | 90.5 Ų | 90.5 | 87% | 0.874 | 45% | 0.449 | S | S | * | . | P | Polyproline II helix | trans | -65.9 | 125.2 | 178.4 | -65.3 | 176.2 | 0 | 0 | 0 | 109.7 | ||
| 204 | C | 55.4 | Low | 64.9 | Low | 44 Ų | 44 | 89.6 Ų | 89.6 | 30% | 0.297 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -90.2 | 134.9 | 172.9 | -62.8 | 0 | 0 | 0 | 0 | 109.9 | M162 V202 M206 | M162-C204 PolarHBondContact SD-SG 3.15Å; V202-C204 PolarHBondContact O-N 2.95Å; C204-M206 PolarHBondContact O-N 3.08Å |
| 205 | D | 53.9 | Low | 66.7 | Low | 101 Ų | 101 | 91.6 Ų | 91.6 | 54% | 0.54 | 44% | 0.44 | S | S | . | . | trans | -82.4 | 108.3 | 176.3 | -170.1 | -3.9 | 0 | 0 | 0 | 110.1 | R207 | D205-R207 VanDerWaalsContact C-N 3.32Å; D205-R207 VanDerWaalsContact CG-NE 3.32Å; D205-R207 PolarHBondContact O-N 3.49Å; D205-R207 WeakPolarHBondContact OD1-CB 3.45Å; D205-R207 WeakPolarHBondContact OD1-CG 3.41Å; D205-R207 IonicContact OD1-CZ 3.24Å; D205-R207 PolarHBondContact OD1-N 3.4Å; D205-R207 IonicContact OD1-NE 3.01Å; D205-R207 PolarHBondContact OD1-NE 3.19Å; D205-R207 IonicContact OD1-NH2 3.88Å; D205-R207 IonicContact OD2-CZ 2.67Å; D205-R207 VanDerWaalsContact OD2-CZ 3.24Å; D205-R207 IonicContact OD2-NE 3.54Å; D205-R207 PolarHBondContact OD2-NE 3.44Å; D205-R207 IonicContact OD2-NH2 2.66Å; D205-R207 PolarHBondContact OD2-NH2 2.9Å | ||
| 206 | M | 57.8 | Low | 68.6 | Low | 34 Ų | 34 | 85.3 Ų | 85.3 | 17% | 0.167 | 42% | 0.416 | C | S | . | . | trans | -86.2 | 1 | -174.2 | -65.9 | -74.9 | -81.2 | 0 | 0 | 113.8 | C204 N208 L209 E233 | C204-M206 PolarHBondContact O-N 3.08Å; M206-N208 PolarHBondContact O-N 3.42Å; M206-L209 HydrophobicContact CE-CD2 3.61Å; M206-L209 PolarHBondContact O-N 3.27Å; M206-L209 VanDerWaalsContact O-N 3.08Å; M206-E233 WeakPolarHBondContact CB-OE1 3.41Å; M206-E233 HydrophobicContact CE-CG 4.35Å | ||
| 207 | R | 59.5 | Low | 70 | Confident | 200 Ų | 200 | 82.5 Ų | 82.5 | 76% | 0.755 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -10.5 | -166.1 | -77 | -177.5 | -71.9 | -175.9 | 0.9 | 116.6 | D205 | D205-R207 VanDerWaalsContact C-N 3.32Å; D205-R207 VanDerWaalsContact CG-NE 3.32Å; D205-R207 PolarHBondContact O-N 3.49Å; D205-R207 WeakPolarHBondContact OD1-CB 3.45Å; D205-R207 WeakPolarHBondContact OD1-CG 3.41Å; D205-R207 IonicContact OD1-CZ 3.24Å; D205-R207 PolarHBondContact OD1-N 3.4Å; D205-R207 IonicContact OD1-NE 3.01Å; D205-R207 PolarHBondContact OD1-NE 3.19Å; D205-R207 IonicContact OD1-NH2 3.88Å; D205-R207 IonicContact OD2-CZ 2.67Å; D205-R207 VanDerWaalsContact OD2-CZ 3.24Å; D205-R207 IonicContact OD2-NE 3.54Å; D205-R207 PolarHBondContact OD2-NE 3.44Å; D205-R207 IonicContact OD2-NH2 2.66Å; D205-R207 PolarHBondContact OD2-NH2 2.9Å |
| 208 | N | 78.1 | Confident | 71.4 | Confident | 100 Ų | 100 | 83.1 Ų | 83.1 | 54% | 0.535 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.7 | 5.2 | -178.8 | -62.7 | -5 | 0 | 0 | 0 | 114.8 | M206 D210 E211 L212 | M206-N208 PolarHBondContact O-N 3.42Å; N208-D210 PolarHBondContact O-N 3.48Å; N208-E211 PolarHBondContact O-N 3.47Å; N208-E211 VanDerWaalsContact O-N 3.14Å; N208-L212 PolarHBondContact O-N 2.91Å |
| 209 | L | 84.7 | Confident | 72.7 | Confident | 2 Ų | 2 | 82.5 Ų | 82.5 | 1% | 0.01 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -56.8 | -46.6 | -171.6 | 172.6 | 61.5 | 0 | 0 | 0 | 112.7 | M206 E211 L212 V213 I247 V249 V254 | M206-L209 HydrophobicContact CE-CD2 3.61Å; M206-L209 PolarHBondContact O-N 3.27Å; M206-L209 VanDerWaalsContact O-N 3.08Å; L209-E211 VanDerWaalsContact C-N 3.27Å; L209-E211 PolarHBondContact O-N 3.5Å; L209-L212 PolarHBondContact O-N 3.41Å; L209-V213 HydrophobicContact CD1-CG2 3.89Å; L209-V213 HydrophobicContact CG-CG2 4.34Å; L209-V213 WeakPolarHBondContact O-CG2 3.47Å; L209-V213 PolarHBondContact O-N 2.94Å; L209-I247 HydrophobicContact CD1-CG2 3.88Å; L209-V249 HydrophobicContact CB-CG2 4.21Å; L209-V249 HydrophobicContact CD1-CG2 3.66Å; L209-V249 HydrophobicContact CG-CG2 4.48Å; L209-V254 HydrophobicContact CD1-CG1 4.4Å |
| 210 | D | 83 | Confident | 73.8 | Confident | 38 Ų | 38 | 81.6 Ų | 81.6 | 20% | 0.203 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -63 | -34.4 | -178.5 | -71.4 | -3.5 | 0 | 0 | 0 | 113.1 | N208 R214 K230 Y236 | N208-D210 PolarHBondContact O-N 3.48Å; D210-R214 WeakPolarHBondContact O-CB 3.43Å; D210-R214 VanDerWaalsContact O-CG 3.26Å; D210-R214 WeakPolarHBondContact O-CG 3.36Å; D210-R214 PolarHBondContact O-N 3.33Å; D210-R214 IonicContact OD2-NH2 3.74Å; D210-K230 WeakPolarHBondContact OD1-CD 3.31Å; D210-K230 WeakPolarHBondContact OD1-CE 3.38Å; D210-K230 IonicContact OD1-NZ 3.76Å; D210-K230 PolarHBondContact OD1-NZ 3.26Å; D210-K230 IonicContact OD2-NZ 3.4Å; D210-K230 PolarHBondContact OD2-NZ 2.94Å; D210-Y236 PolarHBondContact OD1-OH 3.4Å |
| 211 | E | 85.3 | Confident | 74.9 | Confident | 121 Ų | 121 | 78.8 Ų | 78.8 | 57% | 0.565 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -68.2 | -44.6 | 179.4 | -66.4 | -176.2 | 170.7 | 0 | 0 | 110.2 | N208 L209 V213 R214 E215 | N208-E211 PolarHBondContact O-N 3.47Å; N208-E211 VanDerWaalsContact O-N 3.14Å; L209-E211 VanDerWaalsContact C-N 3.27Å; L209-E211 PolarHBondContact O-N 3.5Å; E211-V213 PolarHBondContact O-N 2.9Å; E211-R214 PolarHBondContact O-N 3.16Å; E211-E215 WeakPolarHBondContact O-CB 3.33Å; E211-E215 PolarHBondContact O-N 3.11Å |
| 212 | L | 86.3 | Confident | 75.7 | Confident | 61 Ų | 61 | 75.1 Ų | 75.1 | 32% | 0.319 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -61.5 | -43.6 | 175.1 | -64 | 172.9 | 0 | 0 | 0 | 111.9 | N208 L209 R214 E215 I216 V249 V254 | N208-L212 PolarHBondContact O-N 2.91Å; L209-L212 PolarHBondContact O-N 3.41Å; L212-R214 PolarHBondContact O-N 3.17Å; L212-E215 PolarHBondContact O-N 3.07Å; L212-I216 WeakPolarHBondContact O-CG1 3.39Å; L212-I216 PolarHBondContact O-N 2.87Å; L212-V249 HydrophobicContact CD1-CG2 4.14Å; L212-V254 HydrophobicContact CB-CG2 3.89Å; L212-V254 HydrophobicContact CD1-CG2 4.19Å |
| 213 | V | 86.3 | Confident | 76.2 | Confident | 2 Ų | 2 | 77.9 Ų | 77.9 | 1% | 0.012 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -62.3 | -44.6 | 176.7 | 172.8 | 0 | 0 | 0 | 0 | 110.8 | L209 E211 E215 I216 L217 M228 Y236 I247 V254 L265 | L209-V213 HydrophobicContact CD1-CG2 3.89Å; L209-V213 HydrophobicContact CG-CG2 4.34Å; L209-V213 WeakPolarHBondContact O-CG2 3.47Å; L209-V213 PolarHBondContact O-N 2.94Å; E211-V213 PolarHBondContact O-N 2.9Å; V213-E215 PolarHBondContact O-N 2.92Å; V213-I216 PolarHBondContact O-N 3.43Å; V213-L217 HydrophobicContact CG1-CD1 3.83Å; V213-L217 HydrophobicContact CG1-CG 4.38Å; V213-L217 WeakPolarHBondContact O-CB 3.31Å; V213-L217 VanDerWaalsContact O-CG 3.27Å; V213-L217 WeakPolarHBondContact O-CG 3.41Å; V213-L217 PolarHBondContact O-N 2.87Å; V213-M228 HydrophobicContact CG1-SD 4.18Å; V213-Y236 HydrophobicContact CG1-CE1 3.81Å; V213-Y236 HydrophobicContact CG2-CE2 4.48Å; V213-I247 HydrophobicContact CG1-CD1 4.46Å; V213-I247 HydrophobicContact CG2-CD1 4.21Å; V213-I247 HydrophobicContact CG2-CG2 4.01Å; V213-V254 HydrophobicContact CG2-CG1 4.25Å; V213-L265 HydrophobicContact CB-CD2 4.34Å; V213-L265 HydrophobicContact CG1-CD2 4.12Å; V213-L265 HydrophobicContact CG2-CD2 4.03Å |
| 214 | R | 84.9 | Confident | 77.2 | Confident | 153 Ų | 153 | 73.6 Ų | 73.6 | 58% | 0.577 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -63.9 | -39 | 177 | -75 | -177.9 | -133.9 | 128.4 | 0.5 | 112.4 | D210 E211 L212 G218 | D210-R214 WeakPolarHBondContact O-CB 3.43Å; D210-R214 VanDerWaalsContact O-CG 3.26Å; D210-R214 WeakPolarHBondContact O-CG 3.36Å; D210-R214 PolarHBondContact O-N 3.33Å; D210-R214 IonicContact OD2-NH2 3.74Å; E211-R214 PolarHBondContact O-N 3.16Å; L212-R214 PolarHBondContact O-N 3.17Å; R214-G218 PolarHBondContact O-N 2.93Å |
| 215 | E | 85.2 | Confident | 78 | Confident | 131 Ų | 131 | 76.3 Ų | 76.3 | 61% | 0.612 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -61.4 | -48.6 | 176.4 | -176.9 | 176.2 | -178 | 0 | 0 | 111.1 | E211 L212 V213 G218 Q219 | E211-E215 WeakPolarHBondContact O-CB 3.33Å; E211-E215 PolarHBondContact O-N 3.11Å; L212-E215 PolarHBondContact O-N 3.07Å; V213-E215 PolarHBondContact O-N 2.92Å; E215-G218 PolarHBondContact O-N 2.73Å; E215-Q219 PolarHBondContact O-N 3.11Å |
| 216 | I | 85.2 | Confident | 78.9 | Confident | 16 Ų | 16 | 73.6 Ų | 73.6 | 8% | 0.082 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -61.9 | -47.1 | 178.6 | -68.5 | 166.5 | 0 | 0 | 0 | 111.1 | L212 V213 G218 Q219 V254 L265 E266 L269 | L212-I216 WeakPolarHBondContact O-CG1 3.39Å; L212-I216 PolarHBondContact O-N 2.87Å; V213-I216 PolarHBondContact O-N 3.43Å; I216-G218 VanDerWaalsContact C-N 3.26Å; I216-G218 PolarHBondContact O-N 2.84Å; I216-Q219 WeakPolarHBondContact O-CB 3.35Å; I216-Q219 PolarHBondContact O-N 3.3Å; I216-V254 HydrophobicContact CD1-CB 3.78Å; I216-V254 HydrophobicContact CD1-CG1 4.24Å; I216-V254 HydrophobicContact CD1-CG2 3.69Å; I216-L265 HydrophobicContact CB-CD2 4.25Å; I216-L265 HydrophobicContact CD1-CB 4.45Å; I216-L265 HydrophobicContact CD1-CD2 4Å; I216-L265 HydrophobicContact CG2-CD2 4.07Å; I216-L265 HydrophobicContact CG2-CG 4.08Å; I216-E266 HydrophobicContact CD1-CG 4.3Å; I216-E266 HydrophobicContact CG1-CG 4.31Å; I216-E266 HydrophobicContact CG2-CG 3.9Å; I216-L269 HydrophobicContact CG2-CD1 3.69Å |
| 217 | L | 83.9 | Confident | 79.9 | Confident | 30 Ų | 30 | 74.8 Ų | 74.8 | 16% | 0.157 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -62.9 | -34.1 | 176.3 | -68.2 | 171.2 | 0 | 0 | 0 | 112.2 | V213 Q219 C220 M228 L269 | V213-L217 HydrophobicContact CG1-CD1 3.83Å; V213-L217 HydrophobicContact CG1-CG 4.38Å; V213-L217 WeakPolarHBondContact O-CB 3.31Å; V213-L217 VanDerWaalsContact O-CG 3.27Å; V213-L217 WeakPolarHBondContact O-CG 3.41Å; V213-L217 PolarHBondContact O-N 2.87Å; L217-Q219 PolarHBondContact O-N 3.17Å; L217-C220 VanDerWaalsContact O-CB 3.23Å; L217-C220 WeakPolarHBondContact O-CB 3.42Å; L217-C220 PolarHBondContact O-N 3.28Å; L217-C220 VanDerWaalsContact O-N 3.14Å; L217-M228 HydrophobicContact CD1-CB 4.27Å; L217-M228 HydrophobicContact CD1-CG 4.32Å; L217-M228 HydrophobicContact CD1-SD 3.81Å; L217-M228 HydrophobicContact CD2-CB 4.35Å; L217-M228 HydrophobicContact CD2-CE 4.45Å; L217-M228 HydrophobicContact CD2-SD 3.94Å; L217-M228 HydrophobicContact CG-SD 4.31Å; L217-L269 HydrophobicContact CD2-CD1 3.72Å; L217-L269 HydrophobicContact CD2-CD2 3.94Å; L217-L269 HydrophobicContact CD2-CG 4.48Å |
| 218 | G | 82.4 | Confident | 81.2 | Confident | 56 Ų | 56 | 66.6 Ų | 66.6 | 58% | 0.577 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -65.5 | -16.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | R214 E215 I216 C220 | R214-G218 PolarHBondContact O-N 2.93Å; E215-G218 PolarHBondContact O-N 2.73Å; I216-G218 VanDerWaalsContact C-N 3.26Å; I216-G218 PolarHBondContact O-N 2.84Å; G218-C220 PolarHBondContact O-N 2.99Å |
| 219 | Q | 82.9 | Confident | 81.6 | Confident | 103 Ų | 103 | 67.3 Ų | 67.3 | 48% | 0.481 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -14.6 | 174 | -58.8 | 177 | 10.1 | 0 | 0 | 112.7 | E215 I216 L217 S221 | E215-Q219 PolarHBondContact O-N 3.11Å; I216-Q219 WeakPolarHBondContact O-CB 3.35Å; I216-Q219 PolarHBondContact O-N 3.3Å; L217-Q219 PolarHBondContact O-N 3.17Å; Q219-S221 PolarHBondContact O-N 3.49Å |
| 220 | C | 81.2 | Confident | 81.9 | Confident | 9 Ų | 9 | 71.3 Ų | 71.3 | 6% | 0.061 | 39% | 0.392 | C | S | . | . | trans | -73.7 | 117.4 | -178.9 | -174 | 0 | 0 | 0 | 0 | 111.6 | L217 G218 C222 Q225 D273 C275 | L217-C220 VanDerWaalsContact O-CB 3.23Å; L217-C220 WeakPolarHBondContact O-CB 3.42Å; L217-C220 PolarHBondContact O-N 3.28Å; L217-C220 VanDerWaalsContact O-N 3.14Å; G218-C220 PolarHBondContact O-N 2.99Å; C220-C222 VanDerWaalsContact C-N 3.34Å; C220-C222 VanDerWaalsContact SG-CB 3.58Å; C220-C222 VanDerWaalsContact SG-SG 3.64Å; C220-Q225 HydrophobicContact CB-CG 4.21Å; C220-Q225 PolarHBondContact O-NE2 2.99Å; C220-D273 VanDerWaalsContact SG-CG 3.53Å; C220-C275 PolarHBondContact SG-SG 3.37Å | ||
| 221 | S | 81.9 | Confident | 82.3 | Confident | 105 Ų | 105 | 73.3 Ų | 73.3 | 73% | 0.734 | 41% | 0.405 | S | S | * | . | trans | -93.1 | 13.4 | 178.8 | 72.8 | 0 | 0 | 0 | 0 | 113.8 | Q219 | Q219-S221 PolarHBondContact O-N 3.49Š| ||
| 222 | C | 75.4 | Confident | 82.5 | Confident | 15 Ų | 15 | 69.7 Ų | 69.7 | 10% | 0.101 | 39% | 0.393 | C | S | . | . | trans | -76.4 | 141.3 | -176.6 | -69.7 | 0 | 0 | 0 | 0 | 110.8 | C220 A224 C275 | C220-C222 VanDerWaalsContact C-N 3.34Å; C220-C222 VanDerWaalsContact SG-CB 3.58Å; C220-C222 VanDerWaalsContact SG-SG 3.64Å; C222-A224 WeakPolarHBondContact CB-O 3.36Å; C222-A224 PolarHBondContact O-N 2.62Å; C222-C275 HydrophobicContact CB-CB 4.32Å; C222-C275 WeakPolarHBondContact CB-SG 3.47Å; C222-C275 PolarHBondContact N-SG 3.21Å; C222-C275 WeakPolarHBondContact SG-CB 3.41Å; C222-C275 PolarHBondContact SG-N 3.41Å; C222-C275 CovalentContact SG-SG 2.07Å; C222-C275 PolarHBondContact SG-SG 2.88Å | ||
| 223 | P | 74.2 | Confident | 82.6 | Confident | 148 Ų | 148 | 71.9 Ų | 71.9 | 96% | 0.961 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -66.5 | -27.3 | 177.5 | 26 | -33.4 | 0 | 0 | 0 | 112.9 | ||
| 224 | A | 73.7 | Confident | 82.7 | Confident | 77 Ų | 77 | 71.8 Ų | 71.8 | 64% | 0.636 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -123.2 | 115.2 | 165.1 | 0 | 0 | 0 | 0 | 0 | 107.3 | C222 | C222-A224 WeakPolarHBondContact CB-O 3.36Å; C222-A224 PolarHBondContact O-N 2.62Å |
| 225 | Q | 71.4 | Confident | 83 | Confident | 101 Ų | 101 | 65.1 Ų | 65.1 | 47% | 0.472 | 38% | 0.376 | S | S | . | . | trans | -81 | 153.9 | 177.3 | -62.4 | -176.6 | -14.7 | 0 | 0 | 110 | C220 P227 | C220-Q225 HydrophobicContact CB-CG 4.21Å; C220-Q225 PolarHBondContact O-NE2 2.99Å; Q225-P227 WeakPolarHBondContact O-CD 3.48Å | ||
| 226 | F | 72.9 | Confident | 83.3 | Confident | 44 Ų | 44 | 59.4 Ų | 59.4 | 19% | 0.193 | 35% | 0.349 | C | S | . | . | trans | -58.9 | 121.1 | 171.7 | -177 | -114.3 | 0 | 0 | 0 | 109.7 | M228 V238 Y268 L269 H272 D273 | F226-M228 PolarHBondContact O-N 3Å; F226-M228 VanDerWaalsContact O-N 3.11Å; F226-V238 HydrophobicContact CE1-CB 3.62Å; F226-V238 HydrophobicContact CE1-CG1 3.9Å; F226-V238 HydrophobicContact CZ-CB 3.95Å; F226-Y268 HydrophobicContact CE1-CE1 4.19Å; F226-L269 HydrophobicContact CD1-CD2 4.3Å; F226-H272 HydrophobicContact CD1-CB 4.06Å; F226-H272 HydrophobicContact CD2-CB 4.06Å; F226-H272 HydrophobicContact CE1-CB 4.18Å; F226-H272 HydrophobicContact CE2-CB 4.22Å; F226-H272 HydrophobicContact CG-CB 3.99Å; F226-H272 HydrophobicContact CZ-CB 4.27Å; F226-D273 VanDerWaalsContact CB-OD1 3.31Å; F226-D273 WeakPolarHBondContact CB-OD1 3.3Å | ||
| 227 | P | 79.9 | Confident | 83.6 | Confident | 58 Ų | 58 | 63 Ų | 63 | 38% | 0.377 | 37% | 0.365 | S | S | . | . | trans | -68.9 | 115.9 | -172.1 | 25.5 | -32.1 | 0 | 0 | 0 | 109.8 | Q225 V238 G239 | Q225-P227 WeakPolarHBondContact O-CD 3.48Å; P227-V238 WeakPolarHBondContact O-CA 3.47Å; P227-G239 PolarHBondContact O-N 3.44Å | ||
| 228 | M | 85.8 | Confident | 83.7 | Confident | 29 Ų | 29 | 61.8 Ų | 61.8 | 14% | 0.143 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 114.6 | 175.3 | -178.3 | 176.9 | -76.2 | 0 | 0 | 109.2 | V213 L217 F226 Y236 K237 V238 I245 I247 L265 L269 | V213-M228 HydrophobicContact CG1-SD 4.18Å; L217-M228 HydrophobicContact CD1-CB 4.27Å; L217-M228 HydrophobicContact CD1-CG 4.32Å; L217-M228 HydrophobicContact CD1-SD 3.81Å; L217-M228 HydrophobicContact CD2-CB 4.35Å; L217-M228 HydrophobicContact CD2-CE 4.45Å; L217-M228 HydrophobicContact CD2-SD 3.94Å; L217-M228 HydrophobicContact CG-SD 4.31Å; F226-M228 PolarHBondContact O-N 3Å; F226-M228 VanDerWaalsContact O-N 3.11Å; M228-Y236 HydrophobicContact CG-CD1 3.82Å; M228-Y236 HydrophobicContact CG-CG 4.32Å; M228-Y236 HydrophobicContact SD-CD1 4.06Å; M228-Y236 HydrophobicContact SD-CG 4.4Å; M228-K237 CarbonylContact C-O 3.58Å; M228-K237 WeakPolarHBondContact CA-O 3.46Å; M228-V238 HydrophobicContact CB-CG1 4.09Å; M228-V238 HydrophobicContact CE-CG1 3.39Å; M228-V238 HydrophobicContact CG-CG1 3.82Å; M228-V238 HydrophobicContact SD-CG1 4.42Å; M228-I245 HydrophobicContact CE-CD1 3.7Å; M228-I247 HydrophobicContact CE-CD1 4.49Å; M228-I247 HydrophobicContact SD-CD1 4.22Å; M228-L265 HydrophobicContact CE-CD1 3.9Å; M228-L269 HydrophobicContact CE-CD2 4.29Å |
| 229 | I | 87.8 | Confident | 83.5 | Confident | 115 Ų | 115 | 60 Ų | 60 | 59% | 0.59 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 122.5 | -174.1 | -57.9 | 171.9 | 0 | 0 | 0 | 108.9 | V231 Y236 K237 | I229-V231 PolarHBondContact O-N 3.41Å; I229-Y236 CarbonylContact O-C 3.58Å; I229-Y236 WeakPolarHBondContact O-CA 3.47Å; I229-K237 PolarHBondContact N-O 3.2Å; I229-K237 PolarHBondContact O-N 3.41Å |
| 230 | K | 90.6 | Very high | 83 | Confident | 85 Ų | 85 | 62.9 Ų | 62.9 | 37% | 0.37 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 125.7 | 173.6 | -173.9 | 179.1 | 174.1 | 175.2 | 0 | 110 | D210 S232 Y236 | D210-K230 WeakPolarHBondContact OD1-CD 3.31Å; D210-K230 WeakPolarHBondContact OD1-CE 3.38Å; D210-K230 IonicContact OD1-NZ 3.76Å; D210-K230 PolarHBondContact OD1-NZ 3.26Å; D210-K230 IonicContact OD2-NZ 3.4Å; D210-K230 PolarHBondContact OD2-NZ 2.94Å; K230-S232 WeakPolarHBondContact CE-O 3.42Å; K230-S232 WeakPolarHBondContact CG-O 3.4Å; K230-Y236 HydrophobicContact CB-CD1 3.99Å; K230-Y236 HydrophobicContact CB-CE1 3.66Å; K230-Y236 HydrophobicContact CG-CD1 4.47Å; K230-Y236 HydrophobicContact CG-CE1 3.98Å |
| 231 | V | 90.6 | Very high | 82.5 | Confident | 80 Ų | 80 | 67.6 Ų | 67.6 | 49% | 0.485 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | -52.4 | 173.2 | 179.2 | 0 | 0 | 0 | 0 | 110.2 | I229 K235 K237 L244 | I229-V231 PolarHBondContact O-N 3.41Å; V231-K235 HydrophobicContact CB-CB 4.43Å; V231-K235 PolarHBondContact N-O 3.38Å; V231-K237 HydrophobicContact CG2-CB 4.15Å; V231-K237 HydrophobicContact CG2-CD 3.68Å; V231-K237 HydrophobicContact CG2-CG 3.54Å; V231-L244 HydrophobicContact CG2-CD1 4.15Å |
| 232 | S | 89.4 | Confident | 82.3 | Confident | 46 Ų | 46 | 65.8 Ų | 65.8 | 32% | 0.322 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 177.7 | 175.8 | 66.1 | 0 | 0 | 0 | 0 | 108.7 | K230 G234 K235 | K230-S232 WeakPolarHBondContact CE-O 3.42Å; K230-S232 WeakPolarHBondContact CG-O 3.4Å; S232-G234 PolarHBondContact O-N 3.45Å; S232-K235 PolarHBondContact N-O 2.67Å; S232-K235 PolarHBondContact O-N 3.39Å; S232-K235 VanDerWaalsContact O-O 3.1Å; S232-K235 WeakPolarHBondContact OG-CB 3.44Å; S232-K235 WeakPolarHBondContact OG-CD 3.46Å; S232-K235 WeakPolarHBondContact OG-CG 3.18Å |
| 233 | E | 88.3 | Confident | 82.8 | Confident | 107 Ų | 107 | 67.5 Ų | 67.5 | 50% | 0.5 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53 | 128.6 | 173.2 | -170.2 | 168.1 | -172.4 | 0 | 0 | 110.7 | M206 K235 | M206-E233 WeakPolarHBondContact CB-OE1 3.41Å; M206-E233 HydrophobicContact CE-CG 4.35Å; E233-K235 PolarHBondContact O-N 2.73Å; E233-K235 VanDerWaalsContact O-N 3.08Å |
| 234 | G | 89.1 | Confident | 83.5 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.3 | 4.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | S232 F246 I247 R248 | S232-G234 PolarHBondContact O-N 3.45Å; G234-F246 CarbonylContact O-C 3.52Å; G234-F246 VanDerWaalsContact O-CA 3.29Å; G234-F246 WeakPolarHBondContact O-CA 3.4Å; G234-I247 VanDerWaalsContact CA-O 3.27Å; G234-I247 WeakPolarHBondContact CA-O 3.47Å; G234-I247 PolarHBondContact O-N 3.36Å; G234-R248 PolarHBondContact O-NH1 2.98Å |
| 235 | K | 91.9 | Very high | 84.3 | Confident | 12 Ų | 12 | 60 Ų | 60 | 5% | 0.052 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 124.5 | 179.7 | -55.4 | -170.9 | -169 | -170.4 | 0 | 111.4 | E173 V231 S232 E233 L244 F246 | E173-K235 WeakPolarHBondContact OE2-CE 3.31Å; E173-K235 IonicContact OE2-NZ 3.32Å; E173-K235 PolarHBondContact OE2-NZ 2.92Å; V231-K235 HydrophobicContact CB-CB 4.43Å; V231-K235 PolarHBondContact N-O 3.38Å; S232-K235 PolarHBondContact N-O 2.67Å; S232-K235 PolarHBondContact O-N 3.39Å; S232-K235 VanDerWaalsContact O-O 3.1Å; S232-K235 WeakPolarHBondContact OG-CB 3.44Å; S232-K235 WeakPolarHBondContact OG-CD 3.46Å; S232-K235 WeakPolarHBondContact OG-CG 3.18Å; E233-K235 PolarHBondContact O-N 2.73Å; E233-K235 VanDerWaalsContact O-N 3.08Å; K235-L244 HydrophobicContact CB-CD1 4.19Å; K235-F246 HydrophobicContact CD-CD1 4.28Å; K235-F246 HydrophobicContact CD-CE1 3.81Å; K235-F246 HydrophobicContact CG-CD1 3.94Å; K235-F246 HydrophobicContact CG-CE1 3.99Å |
| 236 | Y | 91.2 | Very high | 85.3 | Confident | 11 Ų | 11 | 56 Ų | 56 | 4% | 0.043 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 138.3 | -174.7 | -68.2 | -100.7 | 0 | 0 | 0 | 110.3 | D210 V213 M228 I229 K230 L244 I245 I247 | D210-Y236 PolarHBondContact OD1-OH 3.4Å; V213-Y236 HydrophobicContact CG1-CE1 3.81Å; V213-Y236 HydrophobicContact CG2-CE2 4.48Å; M228-Y236 HydrophobicContact CG-CD1 3.82Å; M228-Y236 HydrophobicContact CG-CG 4.32Å; M228-Y236 HydrophobicContact SD-CD1 4.06Å; M228-Y236 HydrophobicContact SD-CG 4.4Å; I229-Y236 CarbonylContact O-C 3.58Å; I229-Y236 WeakPolarHBondContact O-CA 3.47Å; K230-Y236 HydrophobicContact CB-CD1 3.99Å; K230-Y236 HydrophobicContact CB-CE1 3.66Å; K230-Y236 HydrophobicContact CG-CD1 4.47Å; K230-Y236 HydrophobicContact CG-CE1 3.98Å; Y236-L244 WeakPolarHBondContact O-CA 3.09Å; Y236-I245 PolarHBondContact N-O 3.48Å; Y236-I245 WeakPolarHBondContact O-CG1 3.37Å; Y236-I245 PolarHBondContact O-N 3.47Å; Y236-I247 HydrophobicContact CD1-CD1 4.5Å; Y236-I247 HydrophobicContact CD2-CB 4.13Å; Y236-I247 HydrophobicContact CD2-CD1 3.45Å; Y236-I247 VanDerWaalsContact CD2-CD1 3.45Å; Y236-I247 HydrophobicContact CD2-CG1 3.73Å; Y236-I247 HydrophobicContact CE2-CB 4.18Å; Y236-I247 HydrophobicContact CE2-CD1 3.84Å; Y236-I247 HydrophobicContact CE2-CG1 4.21Å; Y236-I247 HydrophobicContact CG-CD1 3.83Å; Y236-I247 HydrophobicContact CG-CG1 4.45Å |
| 237 | K | 90.4 | Very high | 86.2 | Confident | 92 Ų | 92 | 54 Ų | 54 | 40% | 0.4 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 131.7 | 168.7 | -81.7 | 175.2 | 177.3 | -171.4 | 0 | 109 | M228 I229 V231 A243 L244 | M228-K237 CarbonylContact C-O 3.58Å; M228-K237 WeakPolarHBondContact CA-O 3.46Å; I229-K237 PolarHBondContact N-O 3.2Å; I229-K237 PolarHBondContact O-N 3.41Å; V231-K237 HydrophobicContact CG2-CB 4.15Å; V231-K237 HydrophobicContact CG2-CD 3.68Å; V231-K237 HydrophobicContact CG2-CG 3.54Å; K237-A243 CarbonylContact C-O 3.56Å; K237-A243 WeakPolarHBondContact CA-O 3.46Å; K237-L244 HydrophobicContact CG-CD1 4.16Å |
| 238 | V | 86.7 | Confident | 86.7 | Confident | 5 Ų | 5 | 51.3 Ų | 51.3 | 3% | 0.03 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 145.3 | -176.1 | -76.2 | 0 | 0 | 0 | 0 | 113.3 | F226 P227 M228 A243 I245 Y268 | F226-V238 HydrophobicContact CE1-CB 3.62Å; F226-V238 HydrophobicContact CE1-CG1 3.9Å; F226-V238 HydrophobicContact CZ-CB 3.95Å; P227-V238 WeakPolarHBondContact O-CA 3.47Å; M228-V238 HydrophobicContact CB-CG1 4.09Å; M228-V238 HydrophobicContact CE-CG1 3.39Å; M228-V238 HydrophobicContact CG-CG1 3.82Å; M228-V238 HydrophobicContact SD-CG1 4.42Å; V238-A243 HydrophobicContact CG2-CB 4.31Å; V238-A243 VanDerWaalsContact CG2-O 3.28Å; V238-A243 WeakPolarHBondContact CG2-O 3.35Å; V238-A243 PolarHBondContact N-O 3.1Å; V238-A243 PolarHBondContact O-N 3.29Å; V238-A243 VanDerWaalsContact O-N 3.13Å; V238-I245 HydrophobicContact CG1-CD1 3.53Å; V238-I245 HydrophobicContact CG1-CG1 4.13Å; V238-I245 HydrophobicContact CG2-CD1 4.15Å; V238-I245 HydrophobicContact CG2-CG1 4.25Å; V238-I245 HydrophobicContact CG2-CG2 3.59Å; V238-Y268 WeakPolarHBondContact CG2-OH 3.48Å |
| 239 | G | 78.1 | Confident | 86.9 | Confident | 18 Ų | 18 | 51.2 Ų | 51.2 | 19% | 0.186 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.9 | -176.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114 | P227 S241 S242 | P227-G239 PolarHBondContact O-N 3.44Å; G239-S241 VanDerWaalsContact C-N 3.29Å; G239-S241 PolarHBondContact O-N 3.09Å; G239-S242 PolarHBondContact O-N 3.01Å |
| 240 | D | 71.4 | Confident | 86.9 | Confident | 163 Ų | 163 | 45.7 Ų | 45.7 | 87% | 0.872 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -26.5 | -177.5 | -57.9 | -36 | 0 | 0 | 0 | 112.8 | S242 | D240-S242 PolarHBondContact O-N 3.4Š|
| 241 | S | 71.4 | Confident | 86.7 | Confident | 109 Ų | 109 | 46.1 Ų | 46.1 | 76% | 0.762 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -3.4 | 176.4 | -51.9 | 0 | 0 | 0 | 0 | 113.4 | G239 A243 | G239-S241 VanDerWaalsContact C-N 3.29Å; G239-S241 PolarHBondContact O-N 3.09Å; S241-A243 PolarHBondContact O-N 2.92Å |
| 242 | S | 78 | Confident | 86.4 | Confident | 67 Ų | 67 | 48 Ų | 48 | 47% | 0.469 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.2 | 36.1 | -177.5 | 69.9 | 0 | 0 | 0 | 0 | 114 | G239 D240 L244 | G239-S242 PolarHBondContact O-N 3.01Å; D240-S242 PolarHBondContact O-N 3.4Å; S242-L244 PolarHBondContact O-N 2.96Å |
| 243 | A | 85 | Confident | 86.3 | Confident | 51 Ų | 51 | 46.7 Ų | 46.7 | 42% | 0.421 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 134.5 | -179 | 0 | 0 | 0 | 0 | 0 | 110.1 | K237 V238 S241 | K237-A243 CarbonylContact C-O 3.56Å; K237-A243 WeakPolarHBondContact CA-O 3.46Å; V238-A243 HydrophobicContact CG2-CB 4.31Å; V238-A243 VanDerWaalsContact CG2-O 3.28Å; V238-A243 WeakPolarHBondContact CG2-O 3.35Å; V238-A243 PolarHBondContact N-O 3.1Å; V238-A243 PolarHBondContact O-N 3.29Å; V238-A243 VanDerWaalsContact O-N 3.13Å; S241-A243 PolarHBondContact O-N 2.92Å |
| 244 | L | 88.8 | Confident | 86.4 | Confident | 67 Ų | 67 | 42.3 Ų | 42.3 | 35% | 0.351 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 129.1 | 178.3 | -166.7 | 69.9 | 0 | 0 | 0 | 109.9 | V231 K235 Y236 K237 S242 F246 | V231-L244 HydrophobicContact CG2-CD1 4.15Å; K235-L244 HydrophobicContact CB-CD1 4.19Å; Y236-L244 WeakPolarHBondContact O-CA 3.09Å; K237-L244 HydrophobicContact CG-CD1 4.16Å; S242-L244 PolarHBondContact O-N 2.96Å; L244-F246 HydrophobicContact CD2-CE2 4.27Å; L244-F246 HydrophobicContact CD2-CZ 3.86Å; L244-F246 HydrophobicContact CG-CE2 4.48Å; L244-F246 HydrophobicContact CG-CZ 4.46Å |
| 245 | I | 90.7 | Very high | 86.5 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 151.8 | 171.6 | 66 | 173.4 | 0 | 0 | 0 | 109.5 | M228 Y236 V238 I247 V256 V258 Y268 | M228-I245 HydrophobicContact CE-CD1 3.7Å; Y236-I245 PolarHBondContact N-O 3.48Å; Y236-I245 WeakPolarHBondContact O-CG1 3.37Å; Y236-I245 PolarHBondContact O-N 3.47Å; V238-I245 HydrophobicContact CG1-CD1 3.53Å; V238-I245 HydrophobicContact CG1-CG1 4.13Å; V238-I245 HydrophobicContact CG2-CD1 4.15Å; V238-I245 HydrophobicContact CG2-CG1 4.25Å; V238-I245 HydrophobicContact CG2-CG2 3.59Å; I245-I247 HydrophobicContact CD1-CD1 4.18Å; I245-I247 HydrophobicContact CD1-CG1 4.28Å; I245-I247 HydrophobicContact CG1-CG1 4.42Å; I245-V256 HydrophobicContact CB-CG2 4.08Å; I245-V256 HydrophobicContact CD1-CG2 3.74Å; I245-V256 HydrophobicContact CG1-CG2 4.31Å; I245-V258 HydrophobicContact CB-CG2 4.35Å; I245-V258 HydrophobicContact CG2-CG1 4.31Å; I245-V258 HydrophobicContact CG2-CG2 3.74Å; I245-Y268 HydrophobicContact CD1-CE1 4.28Å |
| 246 | F | 92.6 | Very high | 86.5 | Confident | 18 Ų | 18 | 41.8 Ų | 41.8 | 8% | 0.079 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 130.4 | 177.1 | -58 | -100.8 | 0 | 0 | 0 | 108.7 | I170 I174 G234 K235 L244 V256 R257 | I170-F246 HydrophobicContact CD1-CB 3.72Å; I170-F246 HydrophobicContact CD1-CG 4.41Å; I170-F246 HydrophobicContact CG1-CB 4.02Å; I170-F246 HydrophobicContact CG1-CD1 4.25Å; I170-F246 HydrophobicContact CG1-CG 4.28Å; I170-F246 HydrophobicContact CG2-CB 4.16Å; I170-F246 HydrophobicContact CG2-CD1 3.81Å; I170-F246 HydrophobicContact CG2-CD2 3.9Å; I170-F246 HydrophobicContact CG2-CE1 4.16Å; I170-F246 HydrophobicContact CG2-CE2 4.28Å; I170-F246 HydrophobicContact CG2-CG 3.68Å; I170-F246 HydrophobicContact CG2-CZ 4.4Å; I174-F246 HydrophobicContact CD1-CE2 3.81Å; I174-F246 HydrophobicContact CD1-CZ 3.79Å; I174-F246 HydrophobicContact CG1-CE1 4.05Å; I174-F246 HydrophobicContact CG1-CE2 4Å; I174-F246 HydrophobicContact CG1-CZ 3.43Å; I174-F246 VanDerWaalsContact CG1-CZ 3.43Å; G234-F246 CarbonylContact O-C 3.52Å; G234-F246 VanDerWaalsContact O-CA 3.29Å; G234-F246 WeakPolarHBondContact O-CA 3.4Å; K235-F246 HydrophobicContact CD-CD1 4.28Å; K235-F246 HydrophobicContact CD-CE1 3.81Å; K235-F246 HydrophobicContact CG-CD1 3.94Å; K235-F246 HydrophobicContact CG-CE1 3.99Å; L244-F246 HydrophobicContact CD2-CE2 4.27Å; L244-F246 HydrophobicContact CD2-CZ 3.86Å; L244-F246 HydrophobicContact CG-CE2 4.48Å; L244-F246 HydrophobicContact CG-CZ 4.46Å; F246-V256 CarbonylContact O-C 3.58Å; F246-V256 WeakPolarHBondContact O-CA 3.37Å; F246-R257 HydrophobicContact CB-CB 4.14Å; F246-R257 PolarHBondContact N-O 3.33Å; F246-R257 PolarHBondContact O-N 3.28Å |
| 247 | I | 91.9 | Very high | 86.4 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 135.5 | 178.6 | -52.2 | -176 | 0 | 0 | 0 | 108.1 | L209 V213 M228 G234 Y236 I245 V254 M255 V256 L265 | L209-I247 HydrophobicContact CD1-CG2 3.88Å; V213-I247 HydrophobicContact CG1-CD1 4.46Å; V213-I247 HydrophobicContact CG2-CD1 4.21Å; V213-I247 HydrophobicContact CG2-CG2 4.01Å; M228-I247 HydrophobicContact CE-CD1 4.49Å; M228-I247 HydrophobicContact SD-CD1 4.22Å; G234-I247 VanDerWaalsContact CA-O 3.27Å; G234-I247 WeakPolarHBondContact CA-O 3.47Å; G234-I247 PolarHBondContact O-N 3.36Å; Y236-I247 HydrophobicContact CD1-CD1 4.5Å; Y236-I247 HydrophobicContact CD2-CB 4.13Å; Y236-I247 HydrophobicContact CD2-CD1 3.45Å; Y236-I247 VanDerWaalsContact CD2-CD1 3.45Å; Y236-I247 HydrophobicContact CD2-CG1 3.73Å; Y236-I247 HydrophobicContact CE2-CB 4.18Å; Y236-I247 HydrophobicContact CE2-CD1 3.84Å; Y236-I247 HydrophobicContact CE2-CG1 4.21Å; Y236-I247 HydrophobicContact CG-CD1 3.83Å; Y236-I247 HydrophobicContact CG-CG1 4.45Å; I245-I247 HydrophobicContact CD1-CD1 4.18Å; I245-I247 HydrophobicContact CD1-CG1 4.28Å; I245-I247 HydrophobicContact CG1-CG1 4.42Å; I247-V254 HydrophobicContact CG2-CG1 3.51Å; I247-M255 CarbonylContact C-O 3.57Å; I247-M255 VanDerWaalsContact CA-O 3.27Å; I247-M255 WeakPolarHBondContact CA-O 3.35Å; I247-M255 WeakPolarHBondContact CG2-O 3.43Å; I247-V256 HydrophobicContact CG1-CG2 4.36Å; I247-L265 HydrophobicContact CD1-CD1 4.08Å; I247-L265 HydrophobicContact CD1-CD2 4.32Å |
| 248 | R | 91.4 | Very high | 86 | Confident | 2 Ų | 2 | 41.8 Ų | 41.8 | 1% | 0.008 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 156.5 | 177.8 | -68.5 | -62.4 | -174.6 | -79.4 | 1.5 | 110.5 | L166 E169 I170 E173 G234 M255 W262 | L166-R248 HydrophobicContact CB-CG 4.5Å; L166-R248 HydrophobicContact CD1-CB 3.89Å; L166-R248 HydrophobicContact CD2-CB 4.02Å; L166-R248 HydrophobicContact CD2-CG 3.97Å; L166-R248 HydrophobicContact CG-CB 4.41Å; E169-R248 IonicContact OE1-CZ 2.84Å; E169-R248 VanDerWaalsContact OE1-CZ 3.26Å; E169-R248 IonicContact OE1-NE 3.26Å; E169-R248 PolarHBondContact OE1-NE 2.99Å; E169-R248 IonicContact OE1-NH2 2.89Å; E169-R248 PolarHBondContact OE1-NH2 3.18Å; I170-R248 HydrophobicContact CD1-CG 4.14Å; E173-R248 IonicContact OE1-CZ 2.77Å; E173-R248 IonicContact OE1-NH2 3.95Å; E173-R248 PolarHBondContact OE1-NH2 3.05Å; E173-R248 IonicContact OE2-CZ 2.57Å; E173-R248 IonicContact OE2-NH2 3.99Å; E173-R248 PolarHBondContact OE2-NH2 3.5Å; G234-R248 PolarHBondContact O-NH1 2.98Å; R248-M255 PolarHBondContact N-O 3Å; R248-M255 PolarHBondContact O-N 3.44Å; R248-W262 HydrophobicContact CB-CH2 4.37Å; R248-W262 HydrophobicContact CB-CZ3 4.48Å; R248-W262 HydrophobicContact CG-CH2 4.31Å |
| 249 | V | 89.1 | Confident | 85.6 | Confident | 27 Ų | 27 | 45.1 Ų | 45.1 | 16% | 0.164 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 118.4 | 171.3 | -176.2 | 0 | 0 | 0 | 0 | 108.2 | L209 L212 R251 | L209-V249 HydrophobicContact CB-CG2 4.21Å; L209-V249 HydrophobicContact CD1-CG2 3.66Å; L209-V249 HydrophobicContact CG-CG2 4.48Å; L212-V249 HydrophobicContact CD1-CG2 4.14Å; V249-R251 VanDerWaalsContact CG1-O 3.23Å; V249-R251 WeakPolarHBondContact CG1-O 2.89Å |
| 250 | L | 88.6 | Confident | 85.3 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 97.7 | 169.4 | -176.5 | 81.7 | 0 | 0 | 0 | 108 | A27 D31 M162 L163 L166 T252 H253 M255 | A27-L250 HydrophobicContact CB-CD2 4.29Å; D31-L250 HydrophobicContact CB-CD1 4.34Å; D31-L250 HydrophobicContact CB-CD2 4.24Å; M162-L250 HydrophobicContact CB-CD1 3.82Å; M162-L250 HydrophobicContact CE-CD1 3.71Å; M162-L250 HydrophobicContact CE-CG 4.18Å; M162-L250 HydrophobicContact CG-CD1 3.97Å; L163-L250 HydrophobicContact CB-CD1 3.99Å; L163-L250 HydrophobicContact CB-CD2 4.5Å; L163-L250 HydrophobicContact CD1-CD1 4.34Å; L163-L250 HydrophobicContact CD1-CD2 4.14Å; L166-L250 HydrophobicContact CD1-CB 4.35Å; L166-L250 HydrophobicContact CD1-CD1 3.96Å; L250-T252 PolarHBondContact O-N 2.9Å; L250-T252 VanDerWaalsContact O-N 3.12Å; L250-H253 PolarHBondContact N-O 3.14Å; L250-H253 WeakPolarHBondContact O-CA 3.44Å; L250-H253 WeakPolarHBondContact O-CB 3.14Å; L250-H253 PolarHBondContact O-N 3.4Å; L250-M255 HydrophobicContact CB-CG 3.42Å; L250-M255 VanDerWaalsContact CB-CG 3.42Å; L250-M255 HydrophobicContact CD2-CE 4.48Å; L250-M255 HydrophobicContact CD2-CG 4.12Å; L250-M255 HydrophobicContact CD2-SD 4.35Å; L250-M255 HydrophobicContact CG-CG 4.41Å |
| 251 | R | 85.6 | Confident | 85.8 | Confident | 93 Ų | 93 | 42 Ų | 42 | 35% | 0.351 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.1 | -113.9 | -176.7 | -51.7 | 178.5 | 62.9 | 94.9 | -8.7 | 110.4 | E30 E34 M162 V249 | E30-R251 VanDerWaalsContact CD-NE 3.3Å; E30-R251 WeakPolarHBondContact OE2-CD 3.42Å; E30-R251 IonicContact OE2-NE 2.73Å; E30-R251 PolarHBondContact OE2-NE 3.16Å; E34-R251 IonicContact OE2-CZ 3.26Å; E34-R251 IonicContact OE2-NH1 2.73Å; E34-R251 PolarHBondContact OE2-NH1 2.9Å; E34-R251 IonicContact OE2-NH2 2.89Å; E34-R251 PolarHBondContact OE2-NH2 3.12Å; M162-R251 HydrophobicContact CE-CB 4.26Å; M162-R251 HydrophobicContact CE-CG 3.29Å; M162-R251 VanDerWaalsContact CE-N 3.29Å; V249-R251 VanDerWaalsContact CG1-O 3.23Å; V249-R251 WeakPolarHBondContact CG1-O 2.89Å |
| 252 | T | 84.9 | Confident | 86.6 | Confident | 119 Ų | 119 | 37.8 Ų | 37.8 | 73% | 0.73 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | 1.1 | 175.9 | 52.8 | 0 | 0 | 0 | 0 | 113.4 | L250 | L250-T252 PolarHBondContact O-N 2.9Å; L250-T252 VanDerWaalsContact O-N 3.12Å |
| 253 | H | 88.1 | Confident | 87.2 | Confident | 20 Ų | 20 | 35.7 Ų | 35.7 | 9% | 0.093 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 132.3 | -174.8 | -55.7 | -79 | 0 | 0 | 0 | 111.4 | A27 E30 L250 M255 | A27-H253 HydrophobicContact CB-CB 4.02Å; A27-H253 VanDerWaalsContact CB-CD2 3.42Å; A27-H253 WeakPolarHBondContact CB-CD2 3.37Å; A27-H253 VanDerWaalsContact CB-CG 3.47Å; E30-H253 IonicContact OE2-CD2 2.66Å; E30-H253 IonicContact OE2-NE2 2.99Å; L250-H253 PolarHBondContact N-O 3.14Å; L250-H253 WeakPolarHBondContact O-CA 3.44Å; L250-H253 WeakPolarHBondContact O-CB 3.14Å; L250-H253 PolarHBondContact O-N 3.4Å; H253-M255 HydrophobicContact CB-CG 4.34Å; H253-M255 HydrophobicContact CB-SD 3.92Å |
| 254 | V | 90.5 | Very high | 87.4 | Confident | 15 Ų | 15 | 33.5 Ų | 33.5 | 9% | 0.091 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 110.4 | 168.5 | -175.7 | 0 | 0 | 0 | 0 | 108.1 | L209 L212 V213 I216 I247 T264 L265 | L209-V254 HydrophobicContact CD1-CG1 4.4Å; L212-V254 HydrophobicContact CB-CG2 3.89Å; L212-V254 HydrophobicContact CD1-CG2 4.19Å; V213-V254 HydrophobicContact CG2-CG1 4.25Å; I216-V254 HydrophobicContact CD1-CB 3.78Å; I216-V254 HydrophobicContact CD1-CG1 4.24Å; I216-V254 HydrophobicContact CD1-CG2 3.69Å; I247-V254 HydrophobicContact CG2-CG1 3.51Å; V254-T264 WeakPolarHBondContact O-CA 3.44Å; V254-L265 HydrophobicContact CB-CB 4.21Å; V254-L265 HydrophobicContact CG1-CB 3.8Å; V254-L265 HydrophobicContact CG1-CD2 3.79Å; V254-L265 HydrophobicContact CG1-CG 4.45Å; V254-L265 PolarHBondContact O-N 3.33Å |
| 255 | M | 90.8 | Very high | 87.4 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 140.7 | -174 | -60.2 | -61.2 | -70.9 | 0 | 0 | 110.7 | A27 L163 I247 R248 L250 H253 W262 D263 T264 | A27-M255 HydrophobicContact CB-SD 4.13Å; L163-M255 HydrophobicContact CD1-CE 4.35Å; I247-M255 CarbonylContact C-O 3.57Å; I247-M255 VanDerWaalsContact CA-O 3.27Å; I247-M255 WeakPolarHBondContact CA-O 3.35Å; I247-M255 WeakPolarHBondContact CG2-O 3.43Å; R248-M255 PolarHBondContact N-O 3Å; R248-M255 PolarHBondContact O-N 3.44Å; L250-M255 HydrophobicContact CB-CG 3.42Å; L250-M255 VanDerWaalsContact CB-CG 3.42Å; L250-M255 HydrophobicContact CD2-CE 4.48Å; L250-M255 HydrophobicContact CD2-CG 4.12Å; L250-M255 HydrophobicContact CD2-SD 4.35Å; L250-M255 HydrophobicContact CG-CG 4.41Å; H253-M255 HydrophobicContact CB-CG 4.34Å; H253-M255 HydrophobicContact CB-SD 3.92Å; M255-W262 HydrophobicContact CB-CE3 3.74Å; M255-W262 HydrophobicContact CB-CZ3 3.8Å; M255-W262 HydrophobicContact CE-CB 4.03Å; M255-D263 CarbonylContact C-O 3.59Å; M255-D263 WeakPolarHBondContact CA-O 3.41Å; M255-T264 HydrophobicContact SD-CG2 4.05Å |
| 256 | V | 90.4 | Very high | 87.2 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 135.1 | 175.3 | 62.2 | 0 | 0 | 0 | 0 | 110.6 | I245 F246 I247 V258 D263 Y268 | I245-V256 HydrophobicContact CB-CG2 4.08Å; I245-V256 HydrophobicContact CD1-CG2 3.74Å; I245-V256 HydrophobicContact CG1-CG2 4.31Å; F246-V256 CarbonylContact O-C 3.58Å; F246-V256 WeakPolarHBondContact O-CA 3.37Å; I247-V256 HydrophobicContact CG1-CG2 4.36Å; V256-V258 HydrophobicContact CG2-CG2 3.85Å; V256-D263 HydrophobicContact CG1-CB 3.98Å; V256-D263 WeakPolarHBondContact CG1-O 3.35Å; V256-D263 PolarHBondContact N-O 3.13Å; V256-D263 PolarHBondContact O-N 2.8Å; V256-Y268 HydrophobicContact CG1-CD2 4.4Å; V256-Y268 HydrophobicContact CG1-CG 4.05Å |
| 257 | R | 89.8 | Confident | 86.8 | Confident | 35 Ų | 35 | 33.3 Ų | 33.3 | 13% | 0.132 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 120.1 | 174.3 | -165.2 | 78.3 | 177.3 | 69.5 | 7 | 109.3 | I170 F246 G259 G260 G261 W262 | I170-R257 HydrophobicContact CD1-CB 4.07Å; I170-R257 HydrophobicContact CD1-CG 4.33Å; F246-R257 HydrophobicContact CB-CB 4.14Å; F246-R257 PolarHBondContact N-O 3.33Å; F246-R257 PolarHBondContact O-N 3.28Å; R257-G259 VanDerWaalsContact NH1-C 3.25Å; R257-G259 PolarHBondContact NH1-O 3.4Å; R257-G259 PolarHBondContact NH2-O 2.82Å; R257-G260 PolarHBondContact NH1-O 2.98Å; R257-G260 PolarHBondContact NH2-O 3.38Å; R257-G261 WeakPolarHBondContact CD-O 3.5Å; R257-G261 PolarHBondContact NH1-O 3.24Å; R257-W262 HydrophobicContact CB-CD2 4.4Å; R257-W262 HydrophobicContact CB-CE3 3.96Å; R257-W262 HydrophobicContact CB-CH2 4.14Å; R257-W262 HydrophobicContact CB-CZ3 3.83Å; R257-W262 VanDerWaalsContact CD-CD2 3.44Å |
| 258 | V | 82.1 | Confident | 86.5 | Confident | 68 Ų | 68 | 34.6 Ų | 34.6 | 41% | 0.412 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 116.1 | 173.8 | -166 | 0 | 0 | 0 | 0 | 108.6 | I245 V256 G260 G261 Y268 | I245-V258 HydrophobicContact CB-CG2 4.35Å; I245-V258 HydrophobicContact CG2-CG1 4.31Å; I245-V258 HydrophobicContact CG2-CG2 3.74Å; V256-V258 HydrophobicContact CG2-CG2 3.85Å; V258-G260 PolarHBondContact O-N 2.83Å; V258-G261 PolarHBondContact N-O 2.73Å; V258-Y268 HydrophobicContact CG2-CD2 4.12Å; V258-Y268 HydrophobicContact CG2-CE2 3.81Å |
| 259 | G | 78.3 | Confident | 86.1 | Confident | 76 Ų | 76 | 34.6 Ų | 34.6 | 78% | 0.784 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.3 | -110.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113 | R257 | R257-G259 VanDerWaalsContact NH1-C 3.25Å; R257-G259 PolarHBondContact NH1-O 3.4Å; R257-G259 PolarHBondContact NH2-O 2.82Å |
| 260 | G | 71.1 | Confident | 85.7 | Confident | 75 Ų | 75 | 34.4 Ų | 34.4 | 77% | 0.773 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.4 | -10.4 | -170.5 | 0 | 0 | 0 | 0 | 0 | 118 | R257 V258 | R257-G260 PolarHBondContact NH1-O 2.98Å; R257-G260 PolarHBondContact NH2-O 3.38Å; V258-G260 PolarHBondContact O-N 2.83Å |
| 261 | G | 82.7 | Confident | 85.2 | Confident | 41 Ų | 41 | 39.7 Ų | 39.7 | 42% | 0.423 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 172.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | R257 V258 | R257-G261 WeakPolarHBondContact CD-O 3.5Å; R257-G261 PolarHBondContact NH1-O 3.24Å; V258-G261 PolarHBondContact N-O 2.73Å |
| 262 | W | 89.2 | Confident | 84.9 | Confident | 19 Ų | 19 | 38.7 Ų | 38.7 | 7% | 0.072 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 149.8 | 169.8 | -72.8 | 100.9 | 0 | 0 | 0 | 111.8 | M28 L163 L166 E167 I170 R248 M255 R257 | M28-W262 HydrophobicContact CE-CB 4.18Å; L163-W262 HydrophobicContact CD1-CB 4.49Å; L163-W262 HydrophobicContact CD1-CD2 3.65Å; L163-W262 HydrophobicContact CD1-CE3 4.31Å; L163-W262 HydrophobicContact CD1-CG 3.75Å; L163-W262 HydrophobicContact CD1-CZ2 4.12Å; L163-W262 HydrophobicContact CG-CG 4.42Å; L166-W262 HydrophobicContact CB-CH2 3.98Å; L166-W262 HydrophobicContact CB-CZ2 3.94Å; E167-W262 HydrophobicContact CG-CZ2 3.65Å; E167-W262 PolarHBondContact OE1-NE1 3.42Å; I170-W262 HydrophobicContact CD1-CH2 3.39Å; I170-W262 HydrophobicContact CD1-CZ2 3.91Å; I170-W262 HydrophobicContact CD1-CZ3 4.26Å; R248-W262 HydrophobicContact CB-CH2 4.37Å; R248-W262 HydrophobicContact CB-CZ3 4.48Å; R248-W262 HydrophobicContact CG-CH2 4.31Å; M255-W262 HydrophobicContact CB-CE3 3.74Å; M255-W262 HydrophobicContact CB-CZ3 3.8Å; M255-W262 HydrophobicContact CE-CB 4.03Å; R257-W262 HydrophobicContact CB-CD2 4.4Å; R257-W262 HydrophobicContact CB-CE3 3.96Å; R257-W262 HydrophobicContact CB-CH2 4.14Å; R257-W262 HydrophobicContact CB-CZ3 3.83Å; R257-W262 VanDerWaalsContact CD-CD2 3.44Å |
| 263 | D | 88.9 | Confident | 84.7 | Confident | 24 Ų | 24 | 33.2 Ų | 33.2 | 13% | 0.128 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 168.1 | 170.3 | -147.8 | -11.4 | 0 | 0 | 0 | 109.9 | M255 V256 H267 K271 | M255-D263 CarbonylContact C-O 3.59Å; M255-D263 WeakPolarHBondContact CA-O 3.41Å; V256-D263 HydrophobicContact CG1-CB 3.98Å; V256-D263 WeakPolarHBondContact CG1-O 3.35Å; V256-D263 PolarHBondContact N-O 3.13Å; V256-D263 PolarHBondContact O-N 2.8Å; D263-H267 WeakPolarHBondContact OD1-CB 3.31Å; D263-H267 IonicContact OD1-CE1 3.14Å; D263-H267 IonicContact OD1-CG 2.98Å; D263-H267 IonicContact OD1-ND1 2.93Å; D263-H267 PolarHBondContact OD1-ND1 2.85Å; D263-H267 IonicContact OD2-CE1 3.64Å; D263-H267 PolarHBondContact OD2-CE1 3.36Å; D263-H267 IonicContact OD2-CG 3.15Å; D263-H267 IonicContact OD2-ND1 2.67Å; D263-H267 PolarHBondContact OD2-ND1 3.31Å; D263-K271 IonicContact OD2-NZ 3.49Å; D263-K271 PolarHBondContact OD2-NZ 3.18Å |
| 264 | T | 89.9 | Confident | 84 | Confident | 4 Ų | 4 | 36.4 Ų | 36.4 | 3% | 0.025 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 148 | 165.8 | 65.5 | 0 | 0 | 0 | 0 | 109.6 | E23 V254 M255 E266 H267 Y268 | E23-T264 HydrophobicContact CG-CG2 4.22Å; V254-T264 WeakPolarHBondContact O-CA 3.44Å; M255-T264 HydrophobicContact SD-CG2 4.05Å; T264-E266 PolarHBondContact O-N 3.27Å; T264-H267 PolarHBondContact O-N 2.98Å; T264-H267 VanDerWaalsContact OG1-CB 3.25Å; T264-H267 WeakPolarHBondContact OG1-CB 3.29Å; T264-H267 PolarHBondContact OG1-N 3.17Å; T264-H267 VanDerWaalsContact OG1-N 3.13Å; T264-Y268 PolarHBondContact O-N 2.62Å |
| 265 | L | 88.1 | Confident | 83.1 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.2 | -39.3 | 176.4 | 177.7 | 60.7 | 0 | 0 | 0 | 110.9 | V213 I216 M228 I247 V254 Y268 L269 | V213-L265 HydrophobicContact CB-CD2 4.34Å; V213-L265 HydrophobicContact CG1-CD2 4.12Å; V213-L265 HydrophobicContact CG2-CD2 4.03Å; I216-L265 HydrophobicContact CB-CD2 4.25Å; I216-L265 HydrophobicContact CD1-CB 4.45Å; I216-L265 HydrophobicContact CD1-CD2 4Å; I216-L265 HydrophobicContact CG2-CD2 4.07Å; I216-L265 HydrophobicContact CG2-CG 4.08Å; M228-L265 HydrophobicContact CE-CD1 3.9Å; I247-L265 HydrophobicContact CD1-CD1 4.08Å; I247-L265 HydrophobicContact CD1-CD2 4.32Å; V254-L265 HydrophobicContact CB-CB 4.21Å; V254-L265 HydrophobicContact CG1-CB 3.8Å; V254-L265 HydrophobicContact CG1-CD2 3.79Å; V254-L265 HydrophobicContact CG1-CG 4.45Å; V254-L265 PolarHBondContact O-N 3.33Å; L265-Y268 PolarHBondContact O-N 3.22Å; L265-L269 HydrophobicContact CD1-CD1 4.12Å; L265-L269 HydrophobicContact CD1-CG 4.17Å; L265-L269 HydrophobicContact CG-CD1 4.04Å; L265-L269 WeakPolarHBondContact O-CG 3.19Å; L265-L269 PolarHBondContact O-N 3.31Å |
| 266 | E | 86.4 | Confident | 82.2 | Confident | 60 Ų | 60 | 38.6 Ų | 38.6 | 28% | 0.28 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -59.2 | -48.2 | 174.8 | -66.4 | -164.7 | -168.4 | 0 | 0 | 111.9 | I216 T264 Y268 L269 D270 R276 | I216-E266 HydrophobicContact CD1-CG 4.3Å; I216-E266 HydrophobicContact CG1-CG 4.31Å; I216-E266 HydrophobicContact CG2-CG 3.9Å; T264-E266 PolarHBondContact O-N 3.27Å; E266-Y268 VanDerWaalsContact C-N 3.34Å; E266-Y268 PolarHBondContact O-N 2.97Å; E266-L269 PolarHBondContact O-N 3.42Å; E266-D270 PolarHBondContact O-N 3.49Å; E266-R276 PolarHBondContact O-NH1 2.9Å; E266-R276 PolarHBondContact O-NH2 3.01Å |
| 267 | H | 84.8 | Confident | 80.7 | Confident | 22 Ų | 22 | 41.2 Ų | 41.2 | 10% | 0.102 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -68.4 | -33.6 | 179 | 179.3 | -153.8 | 0 | 0 | 0 | 112.9 | S20 D263 T264 D270 K271 | S20-H267 WeakPolarHBondContact CB-CD2 3.26Å; S20-H267 PolarHBondContact O-ND1 3.27Å; S20-H267 PolarHBondContact OG-CD2 3.49Å; S20-H267 PolarHBondContact OG-NE2 3.33Å; D263-H267 WeakPolarHBondContact OD1-CB 3.31Å; D263-H267 IonicContact OD1-CE1 3.14Å; D263-H267 IonicContact OD1-CG 2.98Å; D263-H267 IonicContact OD1-ND1 2.93Å; D263-H267 PolarHBondContact OD1-ND1 2.85Å; D263-H267 IonicContact OD2-CE1 3.64Å; D263-H267 PolarHBondContact OD2-CE1 3.36Å; D263-H267 IonicContact OD2-CG 3.15Å; D263-H267 IonicContact OD2-ND1 2.67Å; D263-H267 PolarHBondContact OD2-ND1 3.31Å; T264-H267 PolarHBondContact O-N 2.98Å; T264-H267 VanDerWaalsContact OG1-CB 3.25Å; T264-H267 WeakPolarHBondContact OG1-CB 3.29Å; T264-H267 PolarHBondContact OG1-N 3.17Å; T264-H267 VanDerWaalsContact OG1-N 3.13Å; H267-D270 WeakPolarHBondContact O-CB 3.46Å; H267-D270 PolarHBondContact O-N 3.07Å; H267-K271 PolarHBondContact CE1-NZ 3.08Å; H267-K271 WeakPolarHBondContact NE2-CE 3.41Å; H267-K271 PolarHBondContact NE2-NZ 3.14Å |
| 268 | Y | 84.9 | Confident | 79 | Confident | 27 Ų | 27 | 41.9 Ų | 41.9 | 11% | 0.106 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.2 | -47.9 | 174 | 177.1 | -98.4 | 0 | 0 | 0 | 111.2 | F226 V238 I245 V256 V258 T264 L265 E266 D270 K271 H272 | F226-Y268 HydrophobicContact CE1-CE1 4.19Å; V238-Y268 WeakPolarHBondContact CG2-OH 3.48Å; I245-Y268 HydrophobicContact CD1-CE1 4.28Å; V256-Y268 HydrophobicContact CG1-CD2 4.4Å; V256-Y268 HydrophobicContact CG1-CG 4.05Å; V258-Y268 HydrophobicContact CG2-CD2 4.12Å; V258-Y268 HydrophobicContact CG2-CE2 3.81Å; T264-Y268 PolarHBondContact O-N 2.62Å; L265-Y268 PolarHBondContact O-N 3.22Å; E266-Y268 VanDerWaalsContact C-N 3.34Å; E266-Y268 PolarHBondContact O-N 2.97Å; Y268-D270 VanDerWaalsContact C-N 3.27Å; Y268-D270 PolarHBondContact O-N 3.29Å; Y268-K271 PolarHBondContact O-N 2.88Å; Y268-H272 AromaticContact CD1-CD2 3.91Å; Y268-H272 AromaticContact CD2-NE2 3.97Å; Y268-H272 AromaticContact CE1-CD2 3.53Å; Y268-H272 AromaticContact CE2-CD2 3.66Å; Y268-H272 AromaticContact CE2-NE2 3.33Å; Y268-H272 VanDerWaalsContact CE2-NE2 3.33Å; Y268-H272 WeakPolarHBondContact CE2-NE2 3.41Å; Y268-H272 AromaticContact CZ-CD2 3.38Å; Y268-H272 AromaticContact CZ-NE2 3.35Å; Y268-H272 VanDerWaalsContact CZ-NE2 3.35Å; Y268-H272 PolarHBondContact O-CD2 3.16Å; Y268-H272 PolarHBondContact OH-NE2 3.28Å |
| 269 | L | 84.4 | Confident | 77.6 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.7 | -25.2 | 178.4 | -68.1 | 171 | 0 | 0 | 0 | 112.8 | I216 L217 F226 M228 L265 E266 K271 H272 D273 | I216-L269 HydrophobicContact CG2-CD1 3.69Å; L217-L269 HydrophobicContact CD2-CD1 3.72Å; L217-L269 HydrophobicContact CD2-CD2 3.94Å; L217-L269 HydrophobicContact CD2-CG 4.48Å; F226-L269 HydrophobicContact CD1-CD2 4.3Å; M228-L269 HydrophobicContact CE-CD2 4.29Å; L265-L269 HydrophobicContact CD1-CD1 4.12Å; L265-L269 HydrophobicContact CD1-CG 4.17Å; L265-L269 HydrophobicContact CG-CD1 4.04Å; L265-L269 WeakPolarHBondContact O-CG 3.19Å; L265-L269 PolarHBondContact O-N 3.31Å; E266-L269 PolarHBondContact O-N 3.42Å; L269-K271 PolarHBondContact O-N 3.21Å; L269-K271 VanDerWaalsContact O-N 3.15Å; L269-H272 PolarHBondContact O-N 3.05Å; L269-D273 WeakPolarHBondContact O-CB 3.37Å; L269-D273 PolarHBondContact O-N 3.47Å |
| 270 | D | 80.3 | Confident | 76.3 | Confident | 24 Ų | 24 | 40.4 Ų | 40.4 | 13% | 0.128 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.2 | -23.8 | 177.3 | -84.9 | -26.1 | 0 | 0 | 0 | 112.1 | E266 H267 Y268 R276 C277 F280 | E266-D270 PolarHBondContact O-N 3.49Å; H267-D270 WeakPolarHBondContact O-CB 3.46Å; H267-D270 PolarHBondContact O-N 3.07Å; Y268-D270 VanDerWaalsContact C-N 3.27Å; Y268-D270 PolarHBondContact O-N 3.29Å; D270-R276 IonicContact OD1-CZ 3.92Å; D270-R276 IonicContact OD1-NE 3.39Å; D270-R276 PolarHBondContact OD1-NE 2.89Å; D270-R276 IonicContact OD1-NH1 2.85Å; D270-R276 PolarHBondContact OD1-NH1 3.4Å; D270-R276 IonicContact OD1-NH2 3.32Å; D270-R276 PolarHBondContact OD1-NH2 3.37Å; D270-R276 VanDerWaalsContact OD1-NH2 3.15Å; D270-C277 PolarHBondContact O-SG 3.28Å; D270-F280 HydrophobicContact CB-CE2 4.46Å |
| 271 | K | 78.5 | Confident | 75.2 | Confident | 111 Ų | 111 | 39.4 Ų | 39.4 | 48% | 0.483 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -14.3 | 178.3 | -60.6 | 165.7 | -169.4 | 151.3 | 0 | 112.6 | D263 H267 Y268 L269 | D263-K271 IonicContact OD2-NZ 3.49Å; D263-K271 PolarHBondContact OD2-NZ 3.18Å; H267-K271 PolarHBondContact CE1-NZ 3.08Å; H267-K271 WeakPolarHBondContact NE2-CE 3.41Å; H267-K271 PolarHBondContact NE2-NZ 3.14Å; Y268-K271 PolarHBondContact O-N 2.88Å; L269-K271 PolarHBondContact O-N 3.21Å; L269-K271 VanDerWaalsContact O-N 3.15Å |
| 272 | H | 78.6 | Confident | 73.6 | Confident | 72 Ų | 72 | 44.4 Ų | 44.4 | 33% | 0.333 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -115.6 | -29.8 | -170.1 | -67.9 | -51.5 | 0 | 0 | 0 | 113.4 | F226 Y268 L269 P274 | F226-H272 HydrophobicContact CD1-CB 4.06Å; F226-H272 HydrophobicContact CD2-CB 4.06Å; F226-H272 HydrophobicContact CE1-CB 4.18Å; F226-H272 HydrophobicContact CE2-CB 4.22Å; F226-H272 HydrophobicContact CG-CB 3.99Å; F226-H272 HydrophobicContact CZ-CB 4.27Å; Y268-H272 AromaticContact CD1-CD2 3.91Å; Y268-H272 AromaticContact CD2-NE2 3.97Å; Y268-H272 AromaticContact CE1-CD2 3.53Å; Y268-H272 AromaticContact CE2-CD2 3.66Å; Y268-H272 AromaticContact CE2-NE2 3.33Å; Y268-H272 VanDerWaalsContact CE2-NE2 3.33Å; Y268-H272 WeakPolarHBondContact CE2-NE2 3.41Å; Y268-H272 AromaticContact CZ-CD2 3.38Å; Y268-H272 AromaticContact CZ-NE2 3.35Å; Y268-H272 VanDerWaalsContact CZ-NE2 3.35Å; Y268-H272 PolarHBondContact O-CD2 3.16Å; Y268-H272 PolarHBondContact OH-NE2 3.28Å; L269-H272 PolarHBondContact O-N 3.05Å; H272-P274 WeakPolarHBondContact O-CD 3.48Å |
| 273 | D | 80.5 | Confident | 71.5 | Confident | 4 Ų | 4 | 50.9 Ų | 50.9 | 2% | 0.021 | 27% | 0.267 | C | S | . | . | trans | -89.3 | 118.1 | 179.1 | -78.2 | -25 | 0 | 0 | 0 | 112.4 | C220 F226 L269 C275 R276 C277 | C220-D273 VanDerWaalsContact SG-CG 3.53Å; F226-D273 VanDerWaalsContact CB-OD1 3.31Å; F226-D273 WeakPolarHBondContact CB-OD1 3.3Å; L269-D273 WeakPolarHBondContact O-CB 3.37Å; L269-D273 PolarHBondContact O-N 3.47Å; D273-C275 VanDerWaalsContact C-N 3.29Å; D273-C275 PolarHBondContact O-N 3.4Å; D273-R276 HydrophobicContact CB-CB 4.03Å; D273-R276 HydrophobicContact CB-CG 3.89Å; D273-R276 PolarHBondContact O-N 2.8Å; D273-C277 PolarHBondContact O-N 3.4Å; D273-C277 PolarHBondContact O-SG 3.33Å; D273-C277 VanDerWaalsContact O-SG 3.36Å | ||
| 274 | P | 73.4 | Confident | 69.1 | Low | 86 Ų | 86 | 56.2 Ų | 56.2 | 56% | 0.558 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -56.6 | -36.2 | -179 | -27.9 | 34.9 | 0 | 0 | 0 | 115 | H272 R276 A278 | H272-P274 WeakPolarHBondContact O-CD 3.48Å; P274-R276 VanDerWaalsContact C-N 3.35Å; P274-A278 WeakPolarHBondContact O-CB 3.5Å; P274-A278 PolarHBondContact O-N 3.09Å |
| 275 | C | 72.3 | Confident | 66.9 | Low | 28 Ų | 28 | 62.4 Ų | 62.4 | 19% | 0.189 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -71.5 | -29.8 | -180 | 38.2 | 0 | 0 | 0 | 0 | 112 | C220 C222 D273 A279 | C220-C275 PolarHBondContact SG-SG 3.37Å; C222-C275 HydrophobicContact CB-CB 4.32Å; C222-C275 WeakPolarHBondContact CB-SG 3.47Å; C222-C275 PolarHBondContact N-SG 3.21Å; C222-C275 WeakPolarHBondContact SG-CB 3.41Å; C222-C275 PolarHBondContact SG-N 3.41Å; C222-C275 CovalentContact SG-SG 2.07Å; C222-C275 PolarHBondContact SG-SG 2.88Å; D273-C275 VanDerWaalsContact C-N 3.29Å; D273-C275 PolarHBondContact O-N 3.4Å; C275-A279 PolarHBondContact O-N 3.06Å |
| 276 | R | 71.4 | Confident | 64.7 | Low | 33 Ų | 33 | 69.3 Ų | 69.3 | 13% | 0.125 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -81.5 | -38.5 | 174.9 | -57.9 | -177.9 | 78.6 | -123.9 | 1.3 | 110.5 | E266 D270 D273 P274 A278 A279 F280 | E266-R276 PolarHBondContact O-NH1 2.9Å; E266-R276 PolarHBondContact O-NH2 3.01Å; D270-R276 IonicContact OD1-CZ 3.92Å; D270-R276 IonicContact OD1-NE 3.39Å; D270-R276 PolarHBondContact OD1-NE 2.89Å; D270-R276 IonicContact OD1-NH1 2.85Å; D270-R276 PolarHBondContact OD1-NH1 3.4Å; D270-R276 IonicContact OD1-NH2 3.32Å; D270-R276 PolarHBondContact OD1-NH2 3.37Å; D270-R276 VanDerWaalsContact OD1-NH2 3.15Å; D273-R276 HydrophobicContact CB-CB 4.03Å; D273-R276 HydrophobicContact CB-CG 3.89Å; D273-R276 PolarHBondContact O-N 2.8Å; P274-R276 VanDerWaalsContact C-N 3.35Å; R276-A278 PolarHBondContact O-N 3.22Å; R276-A279 PolarHBondContact O-N 3.47Å; R276-F280 PolarHBondContact O-N 3.16Å |
| 277 | C | 59.9 | Low | 62.7 | Low | 55 Ų | 55 | 69.9 Ų | 69.9 | 37% | 0.372 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -56.9 | -47.2 | 169.6 | -71.6 | 0 | 0 | 0 | 0 | 113.1 | D270 D273 F280 A281 | D270-C277 PolarHBondContact O-SG 3.28Å; D273-C277 PolarHBondContact O-N 3.4Å; D273-C277 PolarHBondContact O-SG 3.33Å; D273-C277 VanDerWaalsContact O-SG 3.36Å; C277-F280 WeakPolarHBondContact O-CB 3.21Å; C277-F280 PolarHBondContact O-N 2.88Å; C277-A281 PolarHBondContact O-N 2.91Å |
| 278 | A | 53.8 | Low | 60.8 | Low | 49 Ų | 49 | 75.7 Ų | 75.7 | 41% | 0.405 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -69.9 | -34.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | P274 R276 F280 A281 H282 | P274-A278 WeakPolarHBondContact O-CB 3.5Å; P274-A278 PolarHBondContact O-N 3.09Å; R276-A278 PolarHBondContact O-N 3.22Å; A278-F280 PolarHBondContact O-N 3.03Å; A278-A281 PolarHBondContact O-N 3.47Å; A278-H282 PolarHBondContact O-N 3.29Å |
| 279 | A | 52.7 | Low | 58.7 | Low | 38 Ų | 38 | 77.4 Ų | 77.4 | 31% | 0.314 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -65 | -28.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | C275 R276 R283 | C275-A279 PolarHBondContact O-N 3.06Å; R276-A279 PolarHBondContact O-N 3.47Å; A279-R283 WeakPolarHBondContact O-CB 3.36Å; A279-R283 WeakPolarHBondContact O-CG 3.44Å; A279-R283 PolarHBondContact O-N 3.48Å; A279-R283 PolarHBondContact O-NE 2.9Å; A279-R283 VanDerWaalsContact O-NE 3.08Å |
| 280 | F | 49.7 | Very low | 56.8 | Low | 76 Ų | 76 | 81.8 Ų | 81.8 | 33% | 0.333 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -69.6 | -42.3 | 170.9 | -105 | -88.4 | 0 | 0 | 0 | 112.3 | D270 R276 C277 A278 Y284 | D270-F280 HydrophobicContact CB-CE2 4.46Å; R276-F280 PolarHBondContact O-N 3.16Å; C277-F280 WeakPolarHBondContact O-CB 3.21Å; C277-F280 PolarHBondContact O-N 2.88Å; A278-F280 PolarHBondContact O-N 3.03Å; F280-Y284 WeakPolarHBondContact O-CB 3.33Å; F280-Y284 PolarHBondContact O-N 3.04Å; F280-Y284 VanDerWaalsContact O-N 3.07Å |
| 281 | A | 48.6 | Very low | 55 | Low | 53 Ų | 53 | 83.9 Ų | 83.9 | 44% | 0.438 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -65 | -44.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | C277 A278 Y284 H285 | C277-A281 PolarHBondContact O-N 2.91Å; A278-A281 PolarHBondContact O-N 3.47Å; A281-Y284 PolarHBondContact O-N 3.01Å; A281-H285 PolarHBondContact O-CD2 2.93Å; A281-H285 PolarHBondContact O-N 3.02Å; A281-H285 VanDerWaalsContact O-N 3.13Å |
| 282 | H | 48.8 | Very low | 53.3 | Low | 147 Ų | 147 | 87.2 Ų | 87.2 | 68% | 0.681 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -68.2 | -38.3 | 177.8 | -88.1 | -74.1 | 0 | 0 | 0 | 113.1 | A278 H285 Q286 | A278-H282 PolarHBondContact O-N 3.29Å; H282-H285 PolarHBondContact O-N 3.38Å; H282-Q286 WeakPolarHBondContact O-CB 3.42Å; H282-Q286 PolarHBondContact O-N 3.37Å |
| 283 | R | 46.3 | Very low | 51.4 | Low | 155 Ų | 155 | 88.4 Ų | 88.4 | 59% | 0.585 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -67.7 | -34.9 | 176.1 | -78.4 | -176.6 | -76.6 | -164.4 | 1.6 | 112.7 | A279 Q286 A287 | A279-R283 WeakPolarHBondContact O-CB 3.36Å; A279-R283 WeakPolarHBondContact O-CG 3.44Å; A279-R283 PolarHBondContact O-N 3.48Å; A279-R283 PolarHBondContact O-NE 2.9Å; A279-R283 VanDerWaalsContact O-NE 3.08Å; R283-Q286 PolarHBondContact O-N 2.89Å; R283-A287 PolarHBondContact O-N 3.48Å |
| 284 | Y | 38.7 | Very low | 49.4 | Very low | 135 Ų | 135 | 97.9 Ų | 97.9 | 53% | 0.529 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -69.6 | -38.6 | 175.6 | -159.1 | -101 | 0 | 0 | 0 | 112.7 | F280 A281 K288 | F280-Y284 WeakPolarHBondContact O-CB 3.33Å; F280-Y284 PolarHBondContact O-N 3.04Å; F280-Y284 VanDerWaalsContact O-N 3.07Å; A281-Y284 PolarHBondContact O-N 3.01Å; Y284-K288 PolarHBondContact O-N 3.02Å |
| 285 | H | 41.8 | Very low | 47.5 | Very low | 135 Ų | 135 | 97.8 Ų | 97.8 | 63% | 0.625 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -68.8 | -35.6 | 174.6 | -87.4 | -72.5 | 0 | 0 | 0 | 112.9 | A281 H282 K288 A289 | A281-H285 PolarHBondContact O-CD2 2.93Å; A281-H285 PolarHBondContact O-N 3.02Å; A281-H285 VanDerWaalsContact O-N 3.13Å; H282-H285 PolarHBondContact O-N 3.38Å; H285-K288 PolarHBondContact O-N 3Å; H285-A289 WeakPolarHBondContact O-CB 3.35Å; H285-A289 PolarHBondContact O-N 3.44Å |
| 286 | Q | 43.4 | Very low | 45.7 | Very low | 144 Ų | 144 | 100.9 Ų | 100.9 | 67% | 0.673 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -68.1 | -38.3 | 178.1 | -156.4 | 172.6 | 52.5 | 0 | 0 | 112.1 | H282 R283 K288 A289 S290 | H282-Q286 WeakPolarHBondContact O-CB 3.42Å; H282-Q286 PolarHBondContact O-N 3.37Å; R283-Q286 PolarHBondContact O-N 2.89Å; Q286-K288 VanDerWaalsContact C-N 3.32Å; Q286-K288 PolarHBondContact O-N 3.19Å; Q286-A289 PolarHBondContact O-N 3.2Å; Q286-S290 PolarHBondContact O-N 3.33Å; Q286-S290 VanDerWaalsContact O-N 3.11Å; Q286-S290 PolarHBondContact O-OG 2.73Å |
| 287 | A | 44.6 | Very low | 43.9 | Very low | 72 Ų | 72 | 107.5 Ų | 107.5 | 60% | 0.595 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -65.4 | -29.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | R283 S290 | R283-A287 PolarHBondContact O-N 3.48Å; A287-S290 PolarHBondContact O-OG 3.44Å |
| 288 | K | 43.5 | Very low | 42.5 | Very low | 144 Ų | 144 | 111.1 Ų | 111.1 | 63% | 0.626 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -81 | -33.4 | 172.2 | -78.8 | -167.2 | 175.2 | -175.1 | 0 | 113.3 | Y284 H285 Q286 G291 | Y284-K288 PolarHBondContact O-N 3.02Å; H285-K288 PolarHBondContact O-N 3Å; Q286-K288 VanDerWaalsContact C-N 3.32Å; Q286-K288 PolarHBondContact O-N 3.19Å; K288-G291 PolarHBondContact O-N 2.89Å |
| 289 | A | 42.4 | Very low | 41.7 | Very low | 64 Ų | 64 | 118.1 Ų | 118.1 | 53% | 0.529 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -74 | -27.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | H285 Q286 G291 | H285-A289 WeakPolarHBondContact O-CB 3.35Å; H285-A289 PolarHBondContact O-N 3.44Å; Q286-A289 PolarHBondContact O-N 3.2Å; A289-G291 VanDerWaalsContact C-N 3.26Å; A289-G291 PolarHBondContact O-N 2.7Å |
| 290 | S | 43.4 | Very low | 40.7 | Very low | 93 Ų | 93 | 121.3 Ų | 121.3 | 65% | 0.65 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | -7.6 | 175.4 | 46.3 | 0 | 0 | 0 | 0 | 114.5 | Q286 A287 | Q286-S290 PolarHBondContact O-N 3.33Å; Q286-S290 VanDerWaalsContact O-N 3.11Å; Q286-S290 PolarHBondContact O-OG 2.73Å; A287-S290 PolarHBondContact O-OG 3.44Å |
| 291 | G | 43.1 | Very low | 39.9 | Very low | 67 Ų | 67 | 122.8 Ų | 122.8 | 69% | 0.691 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.9 | -5.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | K288 A289 | K288-G291 PolarHBondContact O-N 2.89Å; A289-G291 VanDerWaalsContact C-N 3.26Å; A289-G291 PolarHBondContact O-N 2.7Å |
| 292 | Q | 43.3 | Very low | 39.1 | Very low | 182 Ų | 182 | 126 Ų | 126 | 85% | 0.85 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -139.7 | 67.9 | -178.9 | -89.1 | -178.4 | -6 | 0 | 0 | 111 | ||
| 293 | S | 37.2 | Very low | 38.5 | Very low | 96 Ų | 96 | 123 Ų | 123 | 67% | 0.671 | 72% | 0.724 | S | S | * | * | trans | -156 | 48.3 | 164.3 | 55.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 294 | Q | 39.2 | Very low | 37.8 | Very low | 204 Ų | 204 | 124.8 Ų | 124.8 | 95% | 0.953 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -138.9 | 111.4 | 151.5 | -70.7 | -164.9 | 10 | 0 | 0 | 109.3 | ||
| 295 | G | 34.4 | Very low | 37.6 | Very low | 83 Ų | 83 | 123.1 Ų | 123.1 | 86% | 0.856 | 75% | 0.746 | S | S | * | * | trans | 143.9 | 50.4 | 168.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 296 | A | 33.6 | Very low | 37.3 | Very low | 93 Ų | 93 | 122.1 Ų | 122.1 | 77% | 0.769 | 75% | 0.754 | S | S | * | * | trans | -150.1 | 100.9 | 159.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 297 | Q | 33.3 | Very low | 36.9 | Very low | 173 Ų | 173 | 126.4 Ų | 126.4 | 81% | 0.808 | 76% | 0.764 | S | S | * | * | 152.5 | 117.8 | 117.8 | -81.1 | -173.9 | -0.4 | 0 | 0 | 111.6 | |||||
| 298 | S | 31.7 | Very low | 36.5 | Very low | 131 Ų | 131 | 127 Ų | 127 | 92% | 0.916 | 76% | 0.764 | S | S | * | * | trans | -155.6 | 129.2 | 130.7 | -56.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 299 | K | 36.5 | Very low | 36.1 | Very low | 196 Ų | 196 | 126.8 Ų | 126.8 | 85% | 0.852 | 78% | 0.775 | S | S | * | * | trans | -84.7 | 149.7 | -178.9 | -62.4 | 169.8 | 173.5 | 175.7 | 0 | 110.6 | ||||
| 300 | S | 30.5 | Very low | 36.1 | Very low | 105 Ų | 105 | 129.1 Ų | 129.1 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | -173.1 | 124.3 | 120.6 | 67.1 | 0 | 0 | 0 | 0 | 113 | |||||
| 301 | S | 33.5 | Very low | 36.3 | Very low | 106 Ų | 106 | 130.8 Ų | 130.8 | 74% | 0.741 | 80% | 0.796 | S | S | * | * | trans | 31.6 | 132.4 | 139.6 | 59.2 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 302 | S | 32.2 | Very low | 36.1 | Very low | 121 Ų | 121 | 130.9 Ų | 130.9 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | cis | -177.6 | 164.2 | 49.7 | 38 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 303 | A | 35.4 | Very low | 36.1 | Very low | 84 Ų | 84 | 132 Ų | 132 | 69% | 0.694 | 82% | 0.82 | S | S | * | * | trans | -63.3 | 155.1 | -171.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 304 | H | 33.2 | Very low | 36 | Very low | 193 Ų | 193 | 133.9 Ų | 133.9 | 89% | 0.894 | 83% | 0.828 | S | S | * | * | -173.3 | 143.3 | 114.2 | -106.1 | -74.1 | 0 | 0 | 0 | 112.8 | |||||
| 305 | S | 34.2 | Very low | 35.9 | Very low | 100 Ų | 100 | 130.2 Ų | 130.2 | 70% | 0.699 | 82% | 0.821 | S | S | * | * | trans | -81.4 | 163.6 | -177.7 | -53.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 306 | S | 34.7 | Very low | 35.9 | Very low | 113 Ų | 113 | 132.8 Ų | 132.8 | 79% | 0.79 | 82% | 0.819 | S | S | * | * | trans | 88.8 | 115.4 | 143.3 | -1 | 0 | 0 | 0 | 0 | 121 | ||||
| 307 | R | 34.6 | Very low | 36.1 | Very low | 235 Ų | 235 | 135.1 Ų | 135.1 | 89% | 0.887 | 82% | 0.822 | S | S | * | * | 53.5 | 117.3 | 120.6 | -119.8 | -166.4 | 169.4 | -179.9 | -4.4 | 120.8 | |||||
| 308 | S | 35.9 | Very low | 36.2 | Very low | 83 Ų | 83 | 132.8 Ų | 132.8 | 58% | 0.58 | 82% | 0.823 | S | S | * | * | trans | 39.3 | 123.3 | 132.7 | 59.4 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 309 | T | 36.3 | Very low | 36.6 | Very low | 140 Ų | 140 | 132.9 Ų | 132.9 | 86% | 0.859 | 82% | 0.817 | S | S | * | * | 171.5 | 153.8 | 108 | 33.1 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 310 | S | 42.8 | Very low | 36.6 | Very low | 113 Ų | 113 | 128.4 Ų | 128.4 | 79% | 0.79 | 81% | 0.814 | S | S | * | * | trans | -56.5 | 168 | -175.8 | -36.5 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 311 | P | 47.3 | Very low | 37 | Very low | 129 Ų | 129 | 130.2 Ų | 130.2 | 84% | 0.838 | 82% | 0.821 | S | S | * | * | trans | -122.2 | 133.2 | 152 | 33.6 | -19.5 | 0 | 0 | 0 | 112.7 | ||||
| 312 | G | 39.3 | Very low | 37.3 | Very low | 69 Ų | 69 | 132.2 Ų | 132.2 | 71% | 0.711 | 83% | 0.827 | S | S | * | * | trans | -116.6 | 176.7 | 143.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 313 | P | 42 | Very low | 37.8 | Very low | 206 Ų | 206 | 133.2 Ų | 133.2 | 100% | 1.338 | 83% | 0.825 | S | S | * | * | cis | -98.9 | 0 | 12.6 | 16.3 | 3.4 | 0 | 0 | 0 | 115 |
Retrieved 313 of 313 residues in 272.2 ms
(Link to these results)