| 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 | 40.8 | Very low | 42.3 | Very low | 242 Ų | 242 | 147.3 Ų | 147.3 | 100% | 1.192 | 83% | 0.831 | S | S | * | * | 0 | 99.4 | 0 | -69.2 | 177 | 179.9 | 0 | 0 | 107.6 | G3 | M1-G3 PolarHBondContact O-N 3.5Š| |||
| 2 | Y | 38.7 | Very low | 42.6 | Very low | 240 Ų | 240 | 143.3 Ų | 143.3 | 94% | 0.941 | 81% | 0.812 | S | S | * | * | trans | -81.6 | 105.1 | 172.4 | -78.7 | -82.4 | 0 | 0 | 0 | 107.3 | G4 | Y2-G4 PolarHBondContact O-N 3.33Å; Y2-G4 VanDerWaalsContact O-N 3.13Å | ||
| 3 | G | 38 | Very low | 42.3 | Very low | 71 Ų | 71 | 138.6 Ų | 138.6 | 73% | 0.732 | 78% | 0.779 | S | S | * | * | trans | -57.1 | 115.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | M1 L5 | M1-G3 PolarHBondContact O-N 3.5Å; G3-L5 PolarHBondContact O-N 3.08Å | ||
| 4 | G | 44.5 | Very low | 42.4 | Very low | 77 Ų | 77 | 131.6 Ų | 131.6 | 79% | 0.794 | 74% | 0.739 | S | S | * | * | trans | -64.4 | 104.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | Y2 | Y2-G4 PolarHBondContact O-N 3.33Å; Y2-G4 VanDerWaalsContact O-N 3.13Å | ||
| 5 | L | 43.8 | Very low | 42.9 | Very low | 156 Ų | 156 | 131.1 Ų | 131.1 | 82% | 0.817 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 137.9 | 167.6 | -77.4 | 163.8 | 0 | 0 | 0 | 108.6 | G3 V7 | G3-L5 PolarHBondContact O-N 3.08Å; L5-V7 PolarHBondContact O-N 3.17Å |
| 6 | P | 47 | Very low | 43.3 | Very low | 116 Ų | 116 | 127.1 Ų | 127.1 | 75% | 0.753 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 125.4 | -179.7 | 23.8 | -31.4 | 0 | 0 | 0 | 109.9 | ||
| 7 | V | 45.7 | Very low | 43.6 | Very low | 124 Ų | 124 | 126 Ų | 126 | 75% | 0.752 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 128.6 | 175.6 | -177 | 0 | 0 | 0 | 0 | 108.2 | L5 Q9 | L5-V7 PolarHBondContact O-N 3.17Å; V7-Q9 PolarHBondContact O-N 3.03Å; V7-Q9 VanDerWaalsContact O-N 3.14Å |
| 8 | P | 45.6 | Very low | 43.8 | Very low | 123 Ų | 123 | 122.3 Ų | 122.3 | 80% | 0.799 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 119.8 | 177.5 | 23.7 | -31.8 | 0 | 0 | 0 | 109.7 | ||
| 9 | Q | 37.7 | Very low | 43.7 | Very low | 186 Ų | 186 | 126.8 Ų | 126.8 | 87% | 0.869 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 126.7 | 174.8 | -69.4 | -171.1 | -9.5 | 0 | 0 | 109.8 | V7 L11 | V7-Q9 PolarHBondContact O-N 3.03Å; V7-Q9 VanDerWaalsContact O-N 3.14Å; Q9-L11 PolarHBondContact O-N 3.13Å |
| 10 | L | 44.9 | Very low | 43.5 | Very low | 158 Ų | 158 | 126.1 Ų | 126.1 | 83% | 0.827 | 70% | 0.695 | S | S | * | * | trans | -76.1 | 106.4 | 167.4 | -176.4 | 73.8 | 0 | 0 | 0 | 108 | ||||
| 11 | L | 38.5 | Very low | 43.9 | Very low | 127 Ų | 127 | 121 Ų | 121 | 67% | 0.665 | 67% | 0.669 | S | S | * | * | trans | -88.6 | 114.1 | 174.8 | -171.4 | 67.1 | 0 | 0 | 0 | 109.3 | Q9 E13 | Q9-L11 PolarHBondContact O-N 3.13Å; L11-E13 HydrophobicContact CD2-CG 3.66Å; L11-E13 WeakPolarHBondContact CD2-OE1 3.4Å; L11-E13 HydrophobicContact CG-CG 3.72Å; L11-E13 PolarHBondContact O-N 3.11Å | ||
| 12 | V | 45.9 | Very low | 44.5 | Very low | 100 Ų | 100 | 111.8 Ų | 111.8 | 61% | 0.606 | 63% | 0.632 | S | S | * | * | trans | -88 | 100 | 172.5 | -178.8 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 13 | E | 39.2 | Very low | 45.4 | Very low | 82 Ų | 82 | 101.7 Ų | 101.7 | 38% | 0.383 | 60% | 0.596 | S | S | . | * | trans | -87.3 | -23.2 | -176.8 | -68.1 | -162.8 | 161.7 | 0 | 0 | 113.2 | L11 H58 V77 | L11-E13 HydrophobicContact CD2-CG 3.66Å; L11-E13 WeakPolarHBondContact CD2-OE1 3.4Å; L11-E13 HydrophobicContact CG-CG 3.72Å; L11-E13 PolarHBondContact O-N 3.11Å; E13-H58 IonicContact OE2-ND1 3.96Å; E13-V77 WeakPolarHBondContact OE2-CB 2.86Å | ||
| 14 | N | 42.7 | Very low | 46.5 | Very low | 40 Ų | 40 | 100.1 Ų | 100.1 | 21% | 0.214 | 58% | 0.58 | C | S | . | * | trans | -152.7 | 138.1 | -170.4 | -72.6 | -73.2 | 0 | 0 | 0 | 114.8 | I74 I75 | N14-I74 HydrophobicContact CB-CG2 3.89Å; N14-I75 WeakPolarHBondContact CB-O 3.36Å; N14-I75 VanDerWaalsContact CG-C 3.45Å; N14-I75 VanDerWaalsContact ND2-C 3.3Å; N14-I75 PolarHBondContact ND2-O 2.85Å; N14-I75 PolarHBondContact OD1-O 2.91Å | ||
| 15 | K | 51 | Low | 47.3 | Very low | 125 Ų | 125 | 97.6 Ų | 97.6 | 54% | 0.543 | 55% | 0.551 | S | S | . | * | trans | -120.4 | 123 | 176 | -177.1 | 179.7 | -179.9 | -179.6 | 0 | 109.6 | T17 I74 | K15-T17 HydrophobicContact CG-CG2 4.38Å; K15-I74 WeakPolarHBondContact O-CD1 3.44Å | ||
| 16 | W | 49.6 | Very low | 48.5 | Very low | 67 Ų | 67 | 91.4 Ų | 91.4 | 25% | 0.254 | 52% | 0.52 | S | S | . | . | trans | -100.6 | 129 | 176.7 | -64 | 71.6 | 0 | 0 | 0 | 109.3 | F48 F61 I74 I75 | W16-F48 HydrophobicContact CE3-CD1 4.4Å; W16-F48 AromaticContact CE3-CE1 3.78Å; W16-F48 HydrophobicContact CE3-CE1 3.78Å; W16-F48 HydrophobicContact CE3-CZ 4.32Å; W16-F48 AromaticContact CH2-CD1 3.77Å; W16-F48 HydrophobicContact CH2-CD1 3.77Å; W16-F48 AromaticContact CH2-CE1 3.99Å; W16-F48 HydrophobicContact CH2-CE1 3.99Å; W16-F48 AromaticContact CZ3-CD1 3.63Å; W16-F48 HydrophobicContact CZ3-CD1 3.63Å; W16-F48 AromaticContact CZ3-CE1 3.37Å; W16-F48 HydrophobicContact CZ3-CE1 3.37Å; W16-F48 HydrophobicContact CZ3-CZ 4.31Å; W16-F61 HydrophobicContact CH2-CB 4.13Å; W16-F61 HydrophobicContact CZ2-CB 4.3Å; W16-I74 HydrophobicContact CD2-CB 4.03Å; W16-I74 HydrophobicContact CD2-CG2 4.19Å; W16-I74 HydrophobicContact CE3-CB 4.23Å; W16-I74 HydrophobicContact CG-CG2 4.3Å; W16-I74 WeakPolarHBondContact CH2-O 3.5Å; W16-I74 HydrophobicContact CZ2-CB 4.34Å; W16-I74 WeakPolarHBondContact CZ2-O 2.88Å; W16-I74 HydrophobicContact CZ3-CB 4.45Å; W16-I75 PolarHBondContact NE1-O 2.9Å | ||
| 17 | T | 48.5 | Very low | 49.6 | Very low | 108 Ų | 108 | 87.4 Ų | 87.4 | 66% | 0.663 | 50% | 0.496 | S | S | * | . | trans | -126.9 | 106.4 | 173.9 | 54 | 0 | 0 | 0 | 0 | 109.2 | K15 | K15-T17 HydrophobicContact CG-CG2 4.38Š| ||
| 18 | E | 47.1 | Very low | 51 | Low | 59 Ų | 59 | 84.3 Ų | 84.3 | 28% | 0.276 | 47% | 0.473 | S | S | . | . | trans | -88.2 | 151.1 | 161.9 | -18.2 | -179.7 | -176.5 | 0 | 0 | 108.3 | A20 S37 I46 | E18-A20 PolarHBondContact O-N 3.28Å; E18-S37 PolarHBondContact OE1-OG 3.35Å; E18-I46 HydrophobicContact CG-CD1 4.48Å; E18-I46 WeakPolarHBondContact OE1-CD1 3.42Å; E18-I46 WeakPolarHBondContact OE2-CD1 2.98Å | ||
| 19 | K | 41.9 | Very low | 52.2 | Low | 208 Ų | 208 | 79.5 Ų | 79.5 | 90% | 0.904 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -44.5 | 105.1 | -179.9 | -115 | 177.2 | 177.1 | 175.7 | 0 | 111.6 | S21 | K19-S21 VanDerWaalsContact C-N 3.29Å; K19-S21 PolarHBondContact O-N 3.37Å |
| 20 | A | 39.6 | Very low | 53.4 | Low | 112 Ų | 112 | 75.9 Ų | 75.9 | 93% | 0.926 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 40.8 | 34.6 | 160 | 0 | 0 | 0 | 0 | 0 | 118.8 | E18 | E18-A20 PolarHBondContact O-N 3.28Š|
| 21 | S | 51.3 | Low | 54.4 | Low | 20 Ų | 20 | 73.6 Ų | 73.6 | 14% | 0.14 | 43% | 0.426 | C | S | . | . | trans | -125.6 | 123.8 | 173.2 | 149.4 | 0 | 0 | 0 | 0 | 109.1 | K19 C23 A40 S41 | K19-S21 VanDerWaalsContact C-N 3.29Å; K19-S21 PolarHBondContact O-N 3.37Å; S21-C23 PolarHBondContact O-N 3.08Å; S21-A40 PolarHBondContact OG-N 3.29Å; S21-S41 PolarHBondContact OG-N 3.39Å | ||
| 22 | A | 53.6 | Low | 55.6 | Low | 49 Ų | 49 | 68.8 Ų | 68.8 | 41% | 0.405 | 41% | 0.408 | S | S | . | . | trans | -56.8 | 132.7 | 175 | 0 | 0 | 0 | 0 | 0 | 110.5 | G24 G39 A40 | A22-G24 PolarHBondContact O-N 3.1Å; A22-G39 CarbonylContact O-C 3.49Å; A22-G39 WeakPolarHBondContact O-CA 3.46Å; A22-A40 PolarHBondContact O-N 3.12Å | ||
| 23 | C | 57.8 | Low | 56.8 | Low | 28 Ų | 28 | 65.9 Ų | 65.9 | 19% | 0.189 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 128.4 | 164.7 | -31.7 | 0 | 0 | 0 | 0 | 108.5 | S21 S38 C151 | S21-C23 PolarHBondContact O-N 3.08Å; C23-S38 CarbonylContact C-O 3.47Å; C23-S38 VanDerWaalsContact CA-O 3.32Å; C23-S38 WeakPolarHBondContact CA-O 3.17Å; C23-C151 HydrophobicContact CB-CB 3.51Å; C23-C151 WeakPolarHBondContact CB-SG 3.47Å; C23-C151 PolarHBondContact N-SG 3.35Å; C23-C151 VanDerWaalsContact N-SG 3.38Å; C23-C151 WeakPolarHBondContact SG-CB 3.33Å; C23-C151 CovalentContact SG-SG 2.03Å; C23-C151 PolarHBondContact SG-SG 3.25Å |
| 24 | G | 61.5 | Low | 58.2 | Low | 38 Ų | 38 | 65.1 Ų | 65.1 | 39% | 0.392 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | -31.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | A22 S38 G94 | A22-G24 PolarHBondContact O-N 3.1Å; G24-S38 PolarHBondContact N-O 3.33Å; G24-G94 WeakPolarHBondContact O-CA 3.44Å |
| 25 | A | 61.5 | Low | 59.5 | Low | 24 Ų | 24 | 63.9 Ų | 63.9 | 20% | 0.198 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.9 | 157.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | S37 S38 V92 | A25-S37 CarbonylContact O-C 3.48Å; A25-S37 WeakPolarHBondContact O-CA 3.44Å; A25-S38 PolarHBondContact N-O 3.03Å; A25-S38 PolarHBondContact O-N 3.34Å; A25-V92 HydrophobicContact CB-CG1 4.13Å |
| 26 | V | 67.5 | Low | 60.2 | Low | 26 Ų | 26 | 59.8 Ų | 59.8 | 16% | 0.158 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 145.5 | 170.3 | -70.1 | 0 | 0 | 0 | 0 | 109.5 | A36 V92 | V26-A36 CarbonylContact C-O 3.51Å; V26-A36 VanDerWaalsContact CA-O 3.23Å; V26-A36 WeakPolarHBondContact CA-O 3.13Å; V26-V92 HydrophobicContact CG2-CG1 4.37Å; V26-V92 WeakPolarHBondContact O-CB 3.46Å; V26-V92 WeakPolarHBondContact O-CG1 3.31Å; V26-V92 WeakPolarHBondContact O-CG2 3.33Å |
| 27 | A | 71.6 | Confident | 61.1 | Low | 32 Ų | 32 | 56.9 Ų | 56.9 | 26% | 0.264 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 140.6 | 176 | 0 | 0 | 0 | 0 | 0 | 110.1 | M35 A36 | A27-M35 CarbonylContact O-C 3.57Å; A27-M35 VanDerWaalsContact O-CA 3.31Å; A27-M35 WeakPolarHBondContact O-CA 3.15Å; A27-A36 PolarHBondContact N-O 2.94Å; A27-A36 PolarHBondContact O-N 3.27Å |
| 28 | F | 74.6 | Confident | 61.8 | Low | 59 Ų | 59 | 54.2 Ų | 54.2 | 26% | 0.259 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 145 | 174 | -66.4 | -85.7 | 0 | 0 | 0 | 110.2 | L34 M35 I50 L76 I78 I90 | F28-L34 WeakPolarHBondContact CA-O 3.29Å; F28-M35 HydrophobicContact CD1-CB 3.95Å; F28-M35 HydrophobicContact CD1-CG 4.08Å; F28-M35 HydrophobicContact CE1-CB 3.9Å; F28-M35 HydrophobicContact CE1-CG 3.78Å; F28-M35 HydrophobicContact CE1-SD 3.72Å; F28-M35 HydrophobicContact CZ-CG 4.14Å; F28-M35 HydrophobicContact CZ-SD 3.76Å; F28-I50 HydrophobicContact CD1-CD1 4.04Å; F28-I50 HydrophobicContact CE1-CD1 4.35Å; F28-L76 HydrophobicContact CE1-CD2 3.78Å; F28-L76 HydrophobicContact CZ-CD2 3.55Å; F28-I78 HydrophobicContact CE2-CD1 4.5Å; F28-I78 HydrophobicContact CZ-CD1 4.17Å; F28-I90 HydrophobicContact CB-CD1 4.26Å |
| 29 | S | 69.8 | Low | 62.6 | Low | 21 Ų | 21 | 52.6 Ų | 52.6 | 15% | 0.147 | 35% | 0.347 | C | S | . | . | trans | -65.3 | 152.7 | 165.4 | 61.4 | 0 | 0 | 0 | 0 | 110.3 | D31 G32 S33 L34 | S29-D31 WeakPolarHBondContact CB-OD1 3.23Å; S29-D31 PolarHBondContact O-N 3.24Å; S29-D31 VanDerWaalsContact O-N 3.14Å; S29-D31 PolarHBondContact OG-OD1 3.11Å; S29-G32 PolarHBondContact O-N 3.14Å; S29-S33 PolarHBondContact OG-N 3.08Å; S29-L34 PolarHBondContact N-O 3.14Å; S29-L34 PolarHBondContact OG-N 3.23Å; S29-L34 PolarHBondContact OG-O 3.28Å | ||
| 30 | S | 64.2 | Low | 63.2 | Low | 111 Ų | 111 | 46.3 Ų | 46.3 | 78% | 0.776 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -20.5 | -176.4 | 52 | 0 | 0 | 0 | 0 | 114.3 | ||
| 31 | D | 64.6 | Low | 63.9 | Low | 109 Ų | 109 | 43.5 Ų | 43.5 | 58% | 0.583 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | -2.6 | 175.6 | 65.4 | -16.7 | 0 | 0 | 0 | 112.9 | S29 S33 | S29-D31 WeakPolarHBondContact CB-OD1 3.23Å; S29-D31 PolarHBondContact O-N 3.24Å; S29-D31 VanDerWaalsContact O-N 3.14Å; S29-D31 PolarHBondContact OG-OD1 3.11Å; D31-S33 PolarHBondContact O-N 3.08Å; D31-S33 PolarHBondContact OD1-N 3.47Å; D31-S33 PolarHBondContact OD1-OG 2.94Å; D31-S33 WeakPolarHBondContact OD2-CB 3.19Å; D31-S33 PolarHBondContact OD2-OG 3.47Å |
| 32 | G | 65.1 | Low | 63.8 | Low | 27 Ų | 27 | 51 Ų | 51 | 28% | 0.278 | 33% | 0.333 | S | S | . | . | S | Bend | trans | 67.4 | 15.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | S29 I50 | S29-G32 PolarHBondContact O-N 3.14Å; G32-I50 WeakPolarHBondContact O-CB 3.42Å; G32-I50 WeakPolarHBondContact O-CD1 3.46Å |
| 33 | S | 71.1 | Confident | 63.5 | Low | 39 Ų | 39 | 56.8 Ų | 56.8 | 27% | 0.273 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -94.5 | -9.8 | -179.6 | 77.6 | 0 | 0 | 0 | 0 | 113.9 | S29 D31 I50 | S29-S33 PolarHBondContact OG-N 3.08Å; D31-S33 PolarHBondContact O-N 3.08Å; D31-S33 PolarHBondContact OD1-N 3.47Å; D31-S33 PolarHBondContact OD1-OG 2.94Å; D31-S33 WeakPolarHBondContact OD2-CB 3.19Å; D31-S33 PolarHBondContact OD2-OG 3.47Å; S33-I50 WeakPolarHBondContact O-CA 3.38Å; S33-I50 WeakPolarHBondContact O-CB 3.39Å; S33-I50 WeakPolarHBondContact O-CG1 3.16Å; S33-I50 PolarHBondContact O-N 3.48Å |
| 34 | L | 67.7 | Low | 63.3 | Low | 66 Ų | 66 | 58.2 Ų | 58.2 | 35% | 0.346 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 145.8 | 176.2 | -58.6 | 170.3 | 0 | 0 | 0 | 110.8 | F28 S29 L47 F48 R49 I50 | F28-L34 WeakPolarHBondContact CA-O 3.29Å; S29-L34 PolarHBondContact N-O 3.14Å; S29-L34 PolarHBondContact OG-N 3.23Å; S29-L34 PolarHBondContact OG-O 3.28Å; L34-L47 HydrophobicContact CB-CD2 4.17Å; L34-L47 HydrophobicContact CD1-CD2 4.17Å; L34-L47 HydrophobicContact CD2-CD2 4.28Å; L34-L47 HydrophobicContact CG-CD2 4.45Å; L34-F48 CarbonylContact C-O 3.58Å; L34-F48 VanDerWaalsContact CA-O 3.28Å; L34-F48 WeakPolarHBondContact CA-O 3.42Å; L34-R49 HydrophobicContact CD2-CB 4.27Å; L34-R49 HydrophobicContact CD2-CG 4.23Å; L34-I50 VanDerWaalsContact C-CD1 3.41Å |
| 35 | M | 69.7 | Low | 63.1 | Low | 14 Ų | 14 | 61 Ų | 61 | 7% | 0.069 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 139.1 | 164.2 | -178.4 | -177 | 78.6 | 0 | 0 | 108.2 | A27 F28 F48 I50 F61 L76 | A27-M35 CarbonylContact O-C 3.57Å; A27-M35 VanDerWaalsContact O-CA 3.31Å; A27-M35 WeakPolarHBondContact O-CA 3.15Å; F28-M35 HydrophobicContact CD1-CB 3.95Å; F28-M35 HydrophobicContact CD1-CG 4.08Å; F28-M35 HydrophobicContact CE1-CB 3.9Å; F28-M35 HydrophobicContact CE1-CG 3.78Å; F28-M35 HydrophobicContact CE1-SD 3.72Å; F28-M35 HydrophobicContact CZ-CG 4.14Å; F28-M35 HydrophobicContact CZ-SD 3.76Å; M35-F48 HydrophobicContact CB-CB 4.28Å; M35-F48 HydrophobicContact CB-CD2 4.36Å; M35-F48 HydrophobicContact CE-CB 4.42Å; M35-F48 HydrophobicContact CE-CD2 3.32Å; M35-F48 HydrophobicContact CE-CE2 3.62Å; M35-F48 HydrophobicContact CE-CG 3.9Å; M35-F48 HydrophobicContact CE-CZ 4.4Å; M35-F48 HydrophobicContact CG-CD2 4.44Å; M35-F48 PolarHBondContact N-O 2.75Å; M35-F48 WeakPolarHBondContact O-CD2 3.32Å; M35-F48 PolarHBondContact O-N 3.21Å; M35-I50 HydrophobicContact CB-CD1 4.11Å; M35-F61 HydrophobicContact CB-CE1 4.23Å; M35-L76 HydrophobicContact SD-CD2 4.15Å |
| 36 | A | 65.3 | Low | 63.1 | Low | 38 Ų | 38 | 61.4 Ų | 61.4 | 31% | 0.314 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 130.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | V26 A27 I46 | V26-A36 CarbonylContact C-O 3.51Å; V26-A36 VanDerWaalsContact CA-O 3.23Å; V26-A36 WeakPolarHBondContact CA-O 3.13Å; A27-A36 PolarHBondContact N-O 2.94Å; A27-A36 PolarHBondContact O-N 3.27Å; A36-I46 CarbonylContact C-O 3.4Å; A36-I46 WeakPolarHBondContact CA-O 3.28Å |
| 37 | S | 69 | Low | 62.7 | Low | 6 Ų | 6 | 65.3 Ų | 65.3 | 4% | 0.042 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 152.3 | 164.5 | 67.6 | 0 | 0 | 0 | 0 | 109.5 | E18 A25 S45 I46 F48 | E18-S37 PolarHBondContact OE1-OG 3.35Å; A25-S37 CarbonylContact O-C 3.48Å; A25-S37 WeakPolarHBondContact O-CA 3.44Å; S37-S45 CarbonylContact O-C 3.53Å; S37-S45 VanDerWaalsContact O-CA 3.23Å; S37-S45 WeakPolarHBondContact O-CA 3.15Å; S37-I46 PolarHBondContact N-O 3.01Å; S37-I46 PolarHBondContact O-N 2.51Å; S37-F48 WeakPolarHBondContact OG-CE2 3.41Å |
| 38 | S | 63.6 | Low | 62.5 | Low | 53 Ų | 53 | 64.1 Ų | 64.1 | 37% | 0.371 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 140.9 | 166.3 | 62.7 | 0 | 0 | 0 | 0 | 109.4 | C23 G24 A25 N44 | C23-S38 CarbonylContact C-O 3.47Å; C23-S38 VanDerWaalsContact CA-O 3.32Å; C23-S38 WeakPolarHBondContact CA-O 3.17Å; G24-S38 PolarHBondContact N-O 3.33Å; A25-S38 PolarHBondContact N-O 3.03Å; A25-S38 PolarHBondContact O-N 3.34Å; S38-N44 WeakPolarHBondContact CA-O 2.95Å |
| 39 | G | 64.4 | Low | 61.7 | Low | 25 Ų | 25 | 68 Ų | 68 | 26% | 0.258 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 177 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | A22 S41 N44 | A22-G39 CarbonylContact O-C 3.49Å; A22-G39 WeakPolarHBondContact O-CA 3.46Å; G39-S41 PolarHBondContact O-N 2.63Å; G39-N44 PolarHBondContact N-O 2.83Å; G39-N44 VanDerWaalsContact N-O 3.16Å |
| 40 | A | 53.9 | Low | 61 | Low | 76 Ų | 76 | 67.5 Ų | 67.5 | 63% | 0.628 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -62.4 | -20.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | S21 A22 | S21-A40 PolarHBondContact OG-N 3.29Å; A22-A40 PolarHBondContact O-N 3.12Å |
| 41 | S | 54.8 | Low | 60.3 | Low | 53 Ų | 53 | 66.9 Ų | 66.9 | 37% | 0.371 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -75.4 | 128 | 173 | -66.2 | 0 | 0 | 0 | 0 | 111.3 | S21 G39 H43 N44 | S21-S41 PolarHBondContact OG-N 3.39Å; G39-S41 PolarHBondContact O-N 2.63Å; S41-H43 PolarHBondContact O-N 3.26Å; S41-N44 PolarHBondContact O-N 2.84Å; S41-N44 VanDerWaalsContact O-N 3.09Å |
| 42 | R | 48.3 | Very low | 59.2 | Low | 178 Ų | 178 | 66.2 Ų | 66.2 | 67% | 0.672 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -7.6 | -174.3 | -62.8 | -174.4 | -170.8 | -150.6 | 4.1 | 116 | L99 | R42-L99 HydrophobicContact CG-CD1 4Š|
| 43 | H | 48.3 | Very low | 57.7 | Low | 169 Ų | 169 | 65.8 Ų | 65.8 | 78% | 0.782 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.6 | 8 | -175.5 | -58.6 | -60.2 | 0 | 0 | 0 | 114.3 | S41 S45 | S41-H43 PolarHBondContact O-N 3.26Å; H43-S45 PolarHBondContact O-N 3.2Å |
| 44 | N | 53.1 | Low | 55.7 | Low | 58 Ų | 58 | 70.1 Ų | 70.1 | 31% | 0.31 | 40% | 0.396 | S | S | . | . | trans | -102.8 | 70.1 | -175.1 | -70.5 | 14.3 | 0 | 0 | 0 | 110.6 | S38 G39 S41 | S38-N44 WeakPolarHBondContact CA-O 2.95Å; G39-N44 PolarHBondContact N-O 2.83Å; G39-N44 VanDerWaalsContact N-O 3.16Å; S41-N44 PolarHBondContact O-N 2.84Å; S41-N44 VanDerWaalsContact O-N 3.09Å | ||
| 45 | S | 56.9 | Low | 53.7 | Low | 98 Ų | 98 | 76.3 Ų | 76.3 | 69% | 0.685 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 111 | 155 | 56.8 | 0 | 0 | 0 | 0 | 108 | S37 H43 | S37-S45 CarbonylContact O-C 3.53Å; S37-S45 VanDerWaalsContact O-CA 3.23Å; S37-S45 WeakPolarHBondContact O-CA 3.15Å; H43-S45 PolarHBondContact O-N 3.2Å |
| 46 | I | 61.6 | Low | 51.7 | Low | 32 Ų | 32 | 80 Ų | 80 | 16% | 0.164 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 128.8 | -178.7 | -67.1 | 161.1 | 0 | 0 | 0 | 109.2 | E18 A36 S37 F48 C63 | E18-I46 HydrophobicContact CG-CD1 4.48Å; E18-I46 WeakPolarHBondContact OE1-CD1 3.42Å; E18-I46 WeakPolarHBondContact OE2-CD1 2.98Å; A36-I46 CarbonylContact C-O 3.4Å; A36-I46 WeakPolarHBondContact CA-O 3.28Å; S37-I46 PolarHBondContact N-O 3.01Å; S37-I46 PolarHBondContact O-N 2.51Å; I46-F48 HydrophobicContact CB-CE2 3.93Å; I46-F48 HydrophobicContact CB-CZ 3.89Å; I46-F48 HydrophobicContact CG2-CD1 4.09Å; I46-F48 HydrophobicContact CG2-CD2 4.1Å; I46-F48 HydrophobicContact CG2-CE1 3.56Å; I46-F48 HydrophobicContact CG2-CE2 3.58Å; I46-F48 HydrophobicContact CG2-CG 4.35Å; I46-F48 HydrophobicContact CG2-CZ 3.28Å; I46-C63 WeakPolarHBondContact CG2-SG 3.38Å |
| 47 | L | 60.2 | Low | 49.9 | Very low | 108 Ų | 108 | 83.4 Ų | 83.4 | 57% | 0.565 | 47% | 0.471 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 122.1 | 173.2 | -103 | 149.4 | 0 | 0 | 0 | 109 | L34 | L34-L47 HydrophobicContact CB-CD2 4.17Å; L34-L47 HydrophobicContact CD1-CD2 4.17Å; L34-L47 HydrophobicContact CD2-CD2 4.28Å; L34-L47 HydrophobicContact CG-CD2 4.45Å |
| 48 | F | 65.6 | Low | 47.9 | Very low | 7 Ų | 7 | 86.9 Ų | 86.9 | 3% | 0.031 | 49% | 0.486 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 127 | 174.3 | -54.2 | -86.2 | 0 | 0 | 0 | 108.1 | W16 L34 M35 S37 I46 F61 C63 | W16-F48 HydrophobicContact CE3-CD1 4.4Å; W16-F48 AromaticContact CE3-CE1 3.78Å; W16-F48 HydrophobicContact CE3-CE1 3.78Å; W16-F48 HydrophobicContact CE3-CZ 4.32Å; W16-F48 AromaticContact CH2-CD1 3.77Å; W16-F48 HydrophobicContact CH2-CD1 3.77Å; W16-F48 AromaticContact CH2-CE1 3.99Å; W16-F48 HydrophobicContact CH2-CE1 3.99Å; W16-F48 AromaticContact CZ3-CD1 3.63Å; W16-F48 HydrophobicContact CZ3-CD1 3.63Å; W16-F48 AromaticContact CZ3-CE1 3.37Å; W16-F48 HydrophobicContact CZ3-CE1 3.37Å; W16-F48 HydrophobicContact CZ3-CZ 4.31Å; L34-F48 CarbonylContact C-O 3.58Å; L34-F48 VanDerWaalsContact CA-O 3.28Å; L34-F48 WeakPolarHBondContact CA-O 3.42Å; M35-F48 HydrophobicContact CB-CB 4.28Å; M35-F48 HydrophobicContact CB-CD2 4.36Å; M35-F48 HydrophobicContact CE-CB 4.42Å; M35-F48 HydrophobicContact CE-CD2 3.32Å; M35-F48 HydrophobicContact CE-CE2 3.62Å; M35-F48 HydrophobicContact CE-CG 3.9Å; M35-F48 HydrophobicContact CE-CZ 4.4Å; M35-F48 HydrophobicContact CG-CD2 4.44Å; M35-F48 PolarHBondContact N-O 2.75Å; M35-F48 WeakPolarHBondContact O-CD2 3.32Å; M35-F48 PolarHBondContact O-N 3.21Å; S37-F48 WeakPolarHBondContact OG-CE2 3.41Å; I46-F48 HydrophobicContact CB-CE2 3.93Å; I46-F48 HydrophobicContact CB-CZ 3.89Å; I46-F48 HydrophobicContact CG2-CD1 4.09Å; I46-F48 HydrophobicContact CG2-CD2 4.1Å; I46-F48 HydrophobicContact CG2-CE1 3.56Å; I46-F48 HydrophobicContact CG2-CE2 3.58Å; I46-F48 HydrophobicContact CG2-CG 4.35Å; I46-F48 HydrophobicContact CG2-CZ 3.28Å; F48-F61 HydrophobicContact CB-CD1 4.04Å; F48-C63 HydrophobicContact CD1-CB 4.17Å; F48-C63 HydrophobicContact CE1-CB 4.4Å |
| 49 | R | 58.6 | Low | 46.2 | Very low | 140 Ų | 140 | 86.3 Ų | 86.3 | 53% | 0.528 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 136.8 | 169.3 | -168.6 | 178.1 | -169.7 | -171.6 | 4.1 | 109.4 | L34 Q51 F61 A62 | L34-R49 HydrophobicContact CD2-CB 4.27Å; L34-R49 HydrophobicContact CD2-CG 4.23Å; R49-Q51 HydrophobicContact CG-CG 4.45Å; R49-F61 CarbonylContact O-C 3.45Å; R49-F61 WeakPolarHBondContact O-CA 3.44Å; R49-F61 WeakPolarHBondContact O-CB 3.22Å; R49-A62 PolarHBondContact N-O 2.76Å; R49-A62 PolarHBondContact O-N 3.42Å |
| 50 | I | 55.6 | Low | 44.3 | Very low | 10 Ų | 10 | 89.2 Ų | 89.2 | 5% | 0.051 | 49% | 0.488 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 118.1 | 178.8 | -30.9 | -175.4 | 0 | 0 | 0 | 109.7 | F28 G32 S33 L34 M35 L59 F61 | F28-I50 HydrophobicContact CD1-CD1 4.04Å; F28-I50 HydrophobicContact CE1-CD1 4.35Å; G32-I50 WeakPolarHBondContact O-CB 3.42Å; G32-I50 WeakPolarHBondContact O-CD1 3.46Å; S33-I50 WeakPolarHBondContact O-CA 3.38Å; S33-I50 WeakPolarHBondContact O-CB 3.39Å; S33-I50 WeakPolarHBondContact O-CG1 3.16Å; S33-I50 PolarHBondContact O-N 3.48Å; L34-I50 VanDerWaalsContact C-CD1 3.41Å; M35-I50 HydrophobicContact CB-CD1 4.11Å; I50-L59 HydrophobicContact CB-CD2 4Å; I50-L59 HydrophobicContact CG2-CB 3.63Å; I50-L59 HydrophobicContact CG2-CD1 4.4Å; I50-L59 HydrophobicContact CG2-CD2 3.21Å; I50-L59 HydrophobicContact CG2-CG 3.88Å; I50-F61 HydrophobicContact CB-CD1 3.9Å; I50-F61 HydrophobicContact CB-CE1 3.75Å; I50-F61 HydrophobicContact CB-CE2 4.46Å; I50-F61 HydrophobicContact CB-CG 4.41Å; I50-F61 HydrophobicContact CB-CZ 4.02Å; I50-F61 HydrophobicContact CD1-CD1 4.01Å; I50-F61 HydrophobicContact CD1-CE1 3.14Å; I50-F61 HydrophobicContact CD1-CZ 3.58Å; I50-F61 HydrophobicContact CG1-CD1 3.4Å; I50-F61 VanDerWaalsContact CG1-CD1 3.4Å; I50-F61 HydrophobicContact CG1-CE1 3.08Å; I50-F61 HydrophobicContact CG1-CG 4.35Å; I50-F61 HydrophobicContact CG1-CZ 3.75Å; I50-F61 HydrophobicContact CG2-CD1 3.67Å; I50-F61 HydrophobicContact CG2-CD2 3.7Å; I50-F61 HydrophobicContact CG2-CE1 3.36Å; I50-F61 HydrophobicContact CG2-CE2 3.28Å; I50-F61 HydrophobicContact CG2-CG 3.86Å; I50-F61 HydrophobicContact CG2-CZ 3.12Å |
| 51 | Q | 48 | Very low | 43.2 | Very low | 99 Ų | 99 | 85.9 Ų | 85.9 | 46% | 0.463 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 119.2 | 178.8 | -66.9 | -170.1 | -53.4 | 0 | 0 | 110.1 | R49 G53 L60 | R49-Q51 HydrophobicContact CG-CG 4.45Å; Q51-G53 PolarHBondContact O-N 2.67Å; Q51-L60 WeakPolarHBondContact CA-O 3.15Å; Q51-L60 PolarHBondContact N-O 2.75Å; Q51-L60 WeakPolarHBondContact O-CA 3.43Å; Q51-L60 WeakPolarHBondContact O-CB 3.43Å; Q51-L60 PolarHBondContact O-N 3.24Å; Q51-L60 VanDerWaalsContact O-O 3.05Å |
| 52 | C | 42 | Very low | 41.9 | Very low | 95 Ų | 95 | 85.6 Ų | 85.6 | 64% | 0.642 | 46% | 0.46 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 125.7 | 167.9 | -86.3 | 0 | 0 | 0 | 0 | 109.2 | L59 | C52-L59 HydrophobicContact CB-CD2 4.14Å; C52-L59 HydrophobicContact CB-CG 4.46Å; C52-L59 WeakPolarHBondContact SG-CD2 3.45Å; C52-L59 WeakPolarHBondContact SG-CG 3.47Å |
| 53 | G | 35 | Very low | 41 | Very low | 18 Ų | 18 | 79.9 Ų | 79.9 | 19% | 0.186 | 45% | 0.446 | C | S | . | . | P | Polyproline II helix | trans | -74.5 | 151.5 | 163.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q51 M55 | Q51-G53 PolarHBondContact O-N 2.67Å; G53-M55 PolarHBondContact O-N 3.42Å |
| 54 | P | 27.3 | Very low | 40 | Very low | 129 Ų | 129 | 80.5 Ų | 80.5 | 84% | 0.838 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | 129.6 | 177.5 | 25.8 | -30.7 | 0 | 0 | 0 | 111.2 | T56 | P54-T56 PolarHBondContact O-N 3.02Š|
| 55 | M | 26 | Very low | 38.9 | Very low | 197 Ų | 197 | 79.7 Ų | 79.7 | 97% | 0.97 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58 | 27.2 | 167.9 | -74.9 | -165.9 | 173.2 | 0 | 0 | 118.8 | G53 | G53-M55 PolarHBondContact O-N 3.42Š|
| 56 | T | 28.4 | Very low | 37.5 | Very low | 90 Ų | 90 | 81.4 Ų | 81.4 | 55% | 0.552 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -126.6 | 141.1 | 155.2 | 45.7 | 0 | 0 | 0 | 0 | 106.5 | P54 H58 | P54-T56 PolarHBondContact O-N 3.02Å; T56-H58 PolarHBondContact O-N 2.91Å |
| 57 | S | 27.9 | Very low | 36.1 | Very low | 111 Ų | 111 | 87.4 Ų | 87.4 | 78% | 0.776 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -58.7 | 23.4 | -178.7 | -38.1 | 0 | 0 | 0 | 0 | 114.9 | V77 | S57-V77 WeakPolarHBondContact O-CG1 3.09Š|
| 58 | H | 27 | Very low | 34.7 | Very low | 78 Ų | 78 | 86.1 Ų | 86.1 | 36% | 0.361 | 49% | 0.492 | S | S | . | . | trans | -126.7 | 121.5 | -159.4 | -61 | -91.7 | 0 | 0 | 0 | 109.8 | E13 T56 V77 | E13-H58 IonicContact OE2-ND1 3.96Å; T56-H58 PolarHBondContact O-N 2.91Å; H58-V77 HydrophobicContact CB-CG1 4.37Å; H58-V77 HydrophobicContact CB-CG2 3.75Å | ||
| 59 | L | 26.7 | Very low | 32.8 | Very low | 42 Ų | 42 | 92.6 Ų | 92.6 | 22% | 0.22 | 53% | 0.532 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 122.6 | 172.4 | -95.5 | 146.4 | 0 | 0 | 0 | 108.8 | I50 C52 F61 I75 | I50-L59 HydrophobicContact CB-CD2 4Å; I50-L59 HydrophobicContact CG2-CB 3.63Å; I50-L59 HydrophobicContact CG2-CD1 4.4Å; I50-L59 HydrophobicContact CG2-CD2 3.21Å; I50-L59 HydrophobicContact CG2-CG 3.88Å; C52-L59 HydrophobicContact CB-CD2 4.14Å; C52-L59 HydrophobicContact CB-CG 4.46Å; C52-L59 WeakPolarHBondContact SG-CD2 3.45Å; C52-L59 WeakPolarHBondContact SG-CG 3.47Å; L59-F61 HydrophobicContact CB-CE2 4.08Å; L59-F61 WeakPolarHBondContact O-CD2 2.99Å; L59-F61 WeakPolarHBondContact O-CE2 2.79Å; L59-I75 WeakPolarHBondContact O-CG2 3.47Å |
| 60 | L | 25.4 | Very low | 31.2 | Very low | 85 Ų | 85 | 91.2 Ų | 91.2 | 45% | 0.445 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 142.3 | 175.4 | -95.1 | 135.4 | 0 | 0 | 0 | 111 | Q51 I75 | Q51-L60 WeakPolarHBondContact CA-O 3.15Å; Q51-L60 PolarHBondContact N-O 2.75Å; Q51-L60 WeakPolarHBondContact O-CA 3.43Å; Q51-L60 WeakPolarHBondContact O-CB 3.43Å; Q51-L60 PolarHBondContact O-N 3.24Å; Q51-L60 VanDerWaalsContact O-O 3.05Å; L60-I75 HydrophobicContact CD2-CD1 3.39Å; L60-I75 HydrophobicContact CD2-CG1 4.07Å; L60-I75 HydrophobicContact CG-CD1 3.9Å; L60-I75 HydrophobicContact CG-CG1 4.47Å |
| 61 | F | 30.1 | Very low | 29.6 | Very low | 7 Ų | 7 | 97.1 Ų | 97.1 | 3% | 0.031 | 58% | 0.579 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -121 | 141.9 | -176.8 | -63.9 | -119.9 | 0 | 0 | 0 | 111.9 | W16 M35 F48 R49 I50 L59 P73 I75 L76 | W16-F61 HydrophobicContact CH2-CB 4.13Å; W16-F61 HydrophobicContact CZ2-CB 4.3Å; M35-F61 HydrophobicContact CB-CE1 4.23Å; F48-F61 HydrophobicContact CB-CD1 4.04Å; R49-F61 CarbonylContact O-C 3.45Å; R49-F61 WeakPolarHBondContact O-CA 3.44Å; R49-F61 WeakPolarHBondContact O-CB 3.22Å; I50-F61 HydrophobicContact CB-CD1 3.9Å; I50-F61 HydrophobicContact CB-CE1 3.75Å; I50-F61 HydrophobicContact CB-CE2 4.46Å; I50-F61 HydrophobicContact CB-CG 4.41Å; I50-F61 HydrophobicContact CB-CZ 4.02Å; I50-F61 HydrophobicContact CD1-CD1 4.01Å; I50-F61 HydrophobicContact CD1-CE1 3.14Å; I50-F61 HydrophobicContact CD1-CZ 3.58Å; I50-F61 HydrophobicContact CG1-CD1 3.4Å; I50-F61 VanDerWaalsContact CG1-CD1 3.4Å; I50-F61 HydrophobicContact CG1-CE1 3.08Å; I50-F61 HydrophobicContact CG1-CG 4.35Å; I50-F61 HydrophobicContact CG1-CZ 3.75Å; I50-F61 HydrophobicContact CG2-CD1 3.67Å; I50-F61 HydrophobicContact CG2-CD2 3.7Å; I50-F61 HydrophobicContact CG2-CE1 3.36Å; I50-F61 HydrophobicContact CG2-CE2 3.28Å; I50-F61 HydrophobicContact CG2-CG 3.86Å; I50-F61 HydrophobicContact CG2-CZ 3.12Å; L59-F61 HydrophobicContact CB-CE2 4.08Å; L59-F61 WeakPolarHBondContact O-CD2 2.99Å; L59-F61 WeakPolarHBondContact O-CE2 2.79Å; F61-P73 VanDerWaalsContact O-CB 3.24Å; F61-P73 WeakPolarHBondContact O-CB 2.85Å; F61-I75 HydrophobicContact CD2-CG2 4.3Å; F61-L76 HydrophobicContact CD2-CB 4.44Å; F61-L76 HydrophobicContact CE1-CB 4.5Å; F61-L76 HydrophobicContact CE2-CB 3.82Å; F61-L76 WeakPolarHBondContact CE2-O 3.23Å; F61-L76 HydrophobicContact CZ-CB 3.84Å; F61-L76 HydrophobicContact CZ-CD2 4.3Å; F61-L76 VanDerWaalsContact CZ-O 3.29Å; F61-L76 WeakPolarHBondContact CZ-O 3.14Å |
| 62 | A | 27.1 | Very low | 28.6 | Very low | 46 Ų | 46 | 97.6 Ų | 97.6 | 38% | 0.38 | 59% | 0.591 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -126.5 | 130.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | R49 | R49-A62 PolarHBondContact N-O 2.76Å; R49-A62 PolarHBondContact O-N 3.42Å |
| 63 | C | 29.2 | Very low | 27.9 | Very low | 58 Ų | 58 | 96.8 Ų | 96.8 | 39% | 0.392 | 58% | 0.584 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -91.2 | 127.2 | 176.6 | -162.1 | 0 | 0 | 0 | 0 | 109.1 | I46 F48 | I46-C63 WeakPolarHBondContact CG2-SG 3.38Å; F48-C63 HydrophobicContact CD1-CB 4.17Å; F48-C63 HydrophobicContact CE1-CB 4.4Å |
| 64 | Q | 29.1 | Very low | 27.5 | Very low | 182 Ų | 182 | 98.9 Ų | 98.9 | 85% | 0.85 | 59% | 0.591 | S | S | * | * | trans | -122.7 | 82.5 | 178.5 | -155.4 | 166.9 | 15.3 | 0 | 0 | 108.7 | ||||
| 65 | A | 29.5 | Very low | 27.5 | Very low | 42 Ų | 42 | 95 Ų | 95 | 35% | 0.347 | 56% | 0.562 | S | S | . | * | trans | -111.3 | 134.3 | 168.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | N67 C68 | A65-N67 PolarHBondContact O-N 2.71Å; A65-C68 HydrophobicContact CB-CB 4.3Å; A65-C68 PolarHBondContact O-N 3.27Å | ||
| 66 | P | 27.6 | Very low | 27.6 | Very low | 133 Ų | 133 | 86.7 Ų | 86.7 | 86% | 0.864 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -5.1 | -169.6 | 22.6 | -31.4 | 0 | 0 | 0 | 115.5 | ||
| 67 | N | 32.7 | Very low | 27.5 | Very low | 158 Ų | 158 | 83.4 Ų | 83.4 | 85% | 0.845 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.9 | 19.6 | 179.7 | -76.4 | -18.6 | 0 | 0 | 0 | 114.2 | A65 | A65-N67 PolarHBondContact O-N 2.71Š|
| 68 | C | 29.3 | Very low | 27.5 | Very low | 82 Ų | 82 | 82.1 Ų | 82.1 | 55% | 0.554 | 49% | 0.485 | S | S | * | . | trans | -95 | 112 | -179.5 | -100.8 | 0 | 0 | 0 | 0 | 112.3 | A65 C70 | A65-C68 HydrophobicContact CB-CB 4.3Å; A65-C68 PolarHBondContact O-N 3.27Å; C68-C70 VanDerWaalsContact C-N 3.28Å; C68-C70 PolarHBondContact O-N 2.75Å | ||
| 69 | T | 26.2 | Very low | 27.3 | Very low | 143 Ų | 143 | 83.5 Ų | 83.5 | 88% | 0.877 | 50% | 0.501 | S | S | * | . | trans | -87.1 | 23 | 172.7 | 41.8 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 70 | C | 24.5 | Very low | 27.3 | Very low | 110 Ų | 110 | 86.9 Ų | 86.9 | 74% | 0.743 | 52% | 0.519 | S | S | * | . | trans | -101.6 | 102.7 | -173 | -54.7 | 0 | 0 | 0 | 0 | 112 | C68 | C68-C70 VanDerWaalsContact C-N 3.28Å; C68-C70 PolarHBondContact O-N 2.75Å | ||
| 71 | T | 23 | Very low | 27.2 | Very low | 135 Ų | 135 | 94.2 Ų | 94.2 | 83% | 0.828 | 54% | 0.541 | S | S | * | . | P | Polyproline II helix | trans | -90.8 | 150.6 | 153.5 | 40 | 0 | 0 | 0 | 0 | 110.4 | ||
| 72 | P | 26.6 | Very low | 26.9 | Very low | 108 Ų | 108 | 104.3 Ų | 104.3 | 70% | 0.701 | 58% | 0.578 | S | S | * | * | S | Bend | cis | -103.6 | 165.6 | -10.6 | 37.1 | -25.8 | 0 | 0 | 0 | 112.4 | ||
| 73 | P | 27.3 | Very low | 26.9 | Very low | 78 Ų | 78 | 108.2 Ų | 108.2 | 51% | 0.506 | 59% | 0.59 | S | S | . | * | P | Polyproline II helix | trans | -71.1 | 132.2 | -177.4 | 29.2 | -33.3 | 0 | 0 | 0 | 111.3 | F61 | F61-P73 VanDerWaalsContact O-CB 3.24Å; F61-P73 WeakPolarHBondContact O-CB 2.85Å |
| 74 | I | 26.2 | Very low | 26.6 | Very low | 63 Ų | 63 | 115.9 Ų | 115.9 | 32% | 0.323 | 61% | 0.611 | S | S | . | * | P | Polyproline II helix | trans | -83.4 | 152.8 | 166.4 | -60.2 | 176.9 | 0 | 0 | 0 | 106.8 | N14 K15 W16 | N14-I74 HydrophobicContact CB-CG2 3.89Å; K15-I74 WeakPolarHBondContact O-CD1 3.44Å; W16-I74 HydrophobicContact CD2-CB 4.03Å; W16-I74 HydrophobicContact CD2-CG2 4.19Å; W16-I74 HydrophobicContact CE3-CB 4.23Å; W16-I74 HydrophobicContact CG-CG2 4.3Å; W16-I74 WeakPolarHBondContact CH2-O 3.5Å; W16-I74 HydrophobicContact CZ2-CB 4.34Å; W16-I74 WeakPolarHBondContact CZ2-O 2.88Å; W16-I74 HydrophobicContact CZ3-CB 4.45Å |
| 75 | I | 27.8 | Very low | 26.4 | Very low | 47 Ų | 47 | 117.9 Ų | 117.9 | 24% | 0.241 | 62% | 0.617 | C | S | . | * | trans | -114.1 | 170.4 | -168.3 | -65.7 | 167.8 | 0 | 0 | 0 | 108.4 | N14 W16 L59 L60 F61 V77 | N14-I75 WeakPolarHBondContact CB-O 3.36Å; N14-I75 VanDerWaalsContact CG-C 3.45Å; N14-I75 VanDerWaalsContact ND2-C 3.3Å; N14-I75 PolarHBondContact ND2-O 2.85Å; N14-I75 PolarHBondContact OD1-O 2.91Å; W16-I75 PolarHBondContact NE1-O 2.9Å; L59-I75 WeakPolarHBondContact O-CG2 3.47Å; L60-I75 HydrophobicContact CD2-CD1 3.39Å; L60-I75 HydrophobicContact CD2-CG1 4.07Å; L60-I75 HydrophobicContact CG-CD1 3.9Å; L60-I75 HydrophobicContact CG-CG1 4.47Å; F61-I75 HydrophobicContact CD2-CG2 4.3Å; I75-V77 HydrophobicContact CG2-CG2 4.03Å | ||
| 76 | L | 27.8 | Very low | 26.2 | Very low | 22 Ų | 22 | 119.4 Ų | 119.4 | 12% | 0.115 | 63% | 0.625 | C | S | . | * | trans | -148.9 | 103.9 | 172.8 | 179.3 | 96.3 | 0 | 0 | 0 | 109.3 | F28 M35 F61 I78 F153 | F28-L76 HydrophobicContact CE1-CD2 3.78Å; F28-L76 HydrophobicContact CZ-CD2 3.55Å; M35-L76 HydrophobicContact SD-CD2 4.15Å; F61-L76 HydrophobicContact CD2-CB 4.44Å; F61-L76 HydrophobicContact CE1-CB 4.5Å; F61-L76 HydrophobicContact CE2-CB 3.82Å; F61-L76 WeakPolarHBondContact CE2-O 3.23Å; F61-L76 HydrophobicContact CZ-CB 3.84Å; F61-L76 HydrophobicContact CZ-CD2 4.3Å; F61-L76 VanDerWaalsContact CZ-O 3.29Å; F61-L76 WeakPolarHBondContact CZ-O 3.14Å; L76-I78 HydrophobicContact CD2-CD1 4.19Å; L76-I78 HydrophobicContact CD2-CG1 4.36Å; L76-F153 HydrophobicContact CD1-CE1 4.11Å | ||
| 77 | V | 27.1 | Very low | 26.1 | Very low | 22 Ų | 22 | 116.2 Ų | 116.2 | 13% | 0.133 | 62% | 0.616 | C | S | . | * | trans | -103.9 | 118.6 | 179.4 | -174.1 | 0 | 0 | 0 | 0 | 109.7 | E13 S57 H58 I75 | E13-V77 WeakPolarHBondContact OE2-CB 2.86Å; S57-V77 WeakPolarHBondContact O-CG1 3.09Å; H58-V77 HydrophobicContact CB-CG1 4.37Å; H58-V77 HydrophobicContact CB-CG2 3.75Å; I75-V77 HydrophobicContact CG2-CG2 4.03Å | ||
| 78 | I | 27.5 | Very low | 25.9 | Very low | 83 Ų | 83 | 119.8 Ų | 119.8 | 43% | 0.426 | 62% | 0.618 | S | S | . | * | trans | -109 | 121.3 | 168.7 | -58.1 | 175.7 | 0 | 0 | 0 | 107.5 | F28 L76 L80 | F28-I78 HydrophobicContact CE2-CD1 4.5Å; F28-I78 HydrophobicContact CZ-CD1 4.17Å; L76-I78 HydrophobicContact CD2-CD1 4.19Å; L76-I78 HydrophobicContact CD2-CG1 4.36Å; I78-L80 PolarHBondContact O-N 2.94Å | ||
| 79 | P | 23.3 | Very low | 25.8 | Very low | 108 Ų | 108 | 120.8 Ų | 120.8 | 70% | 0.701 | 62% | 0.615 | S | S | * | * | trans | -70.6 | 104 | 178.5 | 26.6 | -31.4 | 0 | 0 | 0 | 110.4 | R81 | P79-R81 PolarHBondContact O-N 2.7Š| ||
| 80 | L | 26.1 | Very low | 26 | Very low | 113 Ų | 113 | 116.5 Ų | 116.5 | 59% | 0.592 | 59% | 0.586 | S | S | * | * | trans | -77.2 | 64.9 | 173.2 | -62.8 | -178.7 | 0 | 0 | 0 | 111.4 | I78 R82 M83 | I78-L80 PolarHBondContact O-N 2.94Å; L80-R82 PolarHBondContact O-N 2.73Å; L80-R82 VanDerWaalsContact O-N 3.1Å; L80-M83 HydrophobicContact CB-CG 4.29Å; L80-M83 HydrophobicContact CD1-CG 4.2Å; L80-M83 HydrophobicContact CD2-CG 3.61Å; L80-M83 HydrophobicContact CG-CG 4.24Å | ||
| 81 | R | 22.8 | Very low | 26.1 | Very low | 239 Ų | 239 | 114.4 Ų | 114.4 | 90% | 0.902 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | 99.3 | 164.1 | -75.5 | -170.3 | -179.1 | -177.2 | 2.4 | 108.5 | P79 | P79-R81 PolarHBondContact O-N 2.7Š|
| 82 | R | 25 | Very low | 26.4 | Very low | 219 Ų | 219 | 109.1 Ų | 109.1 | 83% | 0.826 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.9 | 61.8 | 177.1 | -62.2 | -176.9 | 173.8 | 177.2 | -1.1 | 117.4 | L80 R84 | L80-R82 PolarHBondContact O-N 2.73Å; L80-R82 VanDerWaalsContact O-N 3.1Å; R82-R84 PolarHBondContact O-N 3.39Å |
| 83 | M | 25.8 | Very low | 26.4 | Very low | 127 Ų | 127 | 106 Ų | 106 | 63% | 0.626 | 51% | 0.512 | S | S | * | . | trans | -82.1 | 96.4 | 151.7 | -79.1 | -82.2 | -90.7 | 0 | 0 | 109.7 | L80 | L80-M83 HydrophobicContact CB-CG 4.29Å; L80-M83 HydrophobicContact CD1-CG 4.2Å; L80-M83 HydrophobicContact CD2-CG 3.61Å; L80-M83 HydrophobicContact CG-CG 4.24Å | ||
| 84 | R | 23.3 | Very low | 26.4 | Very low | 219 Ų | 219 | 103.9 Ų | 103.9 | 83% | 0.826 | 50% | 0.503 | S | S | * | . | trans | -72.2 | 130.5 | 163.6 | -107.1 | -172.7 | 178.1 | -175.2 | 0.5 | 108.3 | R82 S86 | R82-R84 PolarHBondContact O-N 3.39Å; R84-S86 PolarHBondContact O-N 3.33Å | ||
| 85 | K | 24.4 | Very low | 26.3 | Very low | 224 Ų | 224 | 105.9 Ų | 105.9 | 97% | 0.974 | 52% | 0.522 | S | S | * | . | trans | -43.3 | 106.3 | 166.9 | -93.8 | -178.2 | 175.4 | 176.3 | 0 | 109.3 | ||||
| 86 | S | 25.9 | Very low | 26.2 | Very low | 75 Ų | 75 | 108 Ų | 108 | 52% | 0.524 | 55% | 0.546 | S | S | . | . | trans | -135.2 | 102.8 | 166.4 | 178.7 | 0 | 0 | 0 | 0 | 103.9 | R84 R158 | R84-S86 PolarHBondContact O-N 3.33Å; S86-R158 PolarHBondContact OG-NH2 3.31Å; S86-R158 VanDerWaalsContact OG-NH2 3.11Å | ||
| 87 | G | 25.9 | Very low | 26 | Very low | 66 Ų | 66 | 115.9 Ų | 115.9 | 68% | 0.68 | 58% | 0.582 | S | S | * | * | trans | -55.2 | 151.8 | -179 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 88 | R | 27.8 | Very low | 25.9 | Very low | 233 Ų | 233 | 124.7 Ų | 124.7 | 88% | 0.879 | 62% | 0.619 | S | S | * | * | S | Bend | trans | 85.9 | 102.3 | 164 | -56.7 | 175.8 | 175.3 | 162 | -1.1 | 115.8 | ||
| 89 | Q | 28.4 | Very low | 25.6 | Very low | 103 Ų | 103 | 125.9 Ų | 125.9 | 48% | 0.481 | 63% | 0.625 | S | S | . | * | trans | 79.1 | 132.1 | 147.6 | -60 | 169 | -2.6 | 0 | 0 | 117.6 | V120 | Q89-V120 HydrophobicContact CB-CG1 4.43Å; Q89-V120 HydrophobicContact CG-CG1 3.89Å; Q89-V120 VanDerWaalsContact OE1-CG1 3.24Å | ||
| 90 | I | 29.1 | Very low | 25.5 | Very low | 52 Ų | 52 | 125.8 Ų | 125.8 | 27% | 0.267 | 63% | 0.627 | S | S | . | * | trans | -115.6 | 121.5 | 163.4 | -60.9 | 173.7 | 0 | 0 | 0 | 105.5 | F28 V92 L156 | F28-I90 HydrophobicContact CB-CD1 4.26Å; I90-V92 HydrophobicContact CG2-CG2 4.36Å; I90-L156 HydrophobicContact CG1-CD1 4.37Å; I90-L156 HydrophobicContact CG2-CD1 4.25Å | ||
| 91 | I | 28 | Very low | 25.4 | Very low | 67 Ų | 67 | 125.3 Ų | 125.3 | 34% | 0.344 | 63% | 0.625 | S | S | . | * | trans | -104.7 | 131.7 | -177.9 | -62.9 | 175.5 | 0 | 0 | 0 | 107.9 | V118 V120 | I91-V118 HydrophobicContact CD1-CG1 4.14Å; I91-V118 HydrophobicContact CG2-CG1 3.46Å; I91-V118 VanDerWaalsContact CG2-CG1 3.46Å; I91-V120 HydrophobicContact CD1-CG2 3.95Å; I91-V120 HydrophobicContact CG1-CG2 4.18Å | ||
| 92 | V | 28.8 | Very low | 25.4 | Very low | 23 Ų | 23 | 120.5 Ų | 120.5 | 14% | 0.139 | 63% | 0.625 | C | S | . | * | trans | -129.9 | 122.3 | 174.7 | 175.5 | 0 | 0 | 0 | 0 | 109.1 | A25 V26 I90 I154 | A25-V92 HydrophobicContact CB-CG1 4.13Å; V26-V92 HydrophobicContact CG2-CG1 4.37Å; V26-V92 WeakPolarHBondContact O-CB 3.46Å; V26-V92 WeakPolarHBondContact O-CG1 3.31Å; V26-V92 WeakPolarHBondContact O-CG2 3.33Å; I90-V92 HydrophobicContact CG2-CG2 4.36Å; V92-I154 HydrophobicContact CB-CD1 3.62Å; V92-I154 HydrophobicContact CG1-CD1 3.35Å; V92-I154 HydrophobicContact CG2-CD1 3.33Å | ||
| 93 | D | 26 | Very low | 25.3 | Very low | 44 Ų | 44 | 114.2 Ų | 114.2 | 24% | 0.235 | 62% | 0.619 | C | S | . | * | trans | -84 | 138.9 | -177.5 | -164 | 2.9 | 0 | 0 | 0 | 110.5 | H116 | D93-H116 IonicContact OD2-ND1 3.5Š| ||
| 94 | G | 27.9 | Very low | 25.2 | Very low | 32 Ų | 32 | 114 Ų | 114 | 33% | 0.33 | 62% | 0.62 | S | S | . | * | trans | -136 | 125 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | G24 A96 | G24-G94 WeakPolarHBondContact O-CA 3.44Å; G94-A96 PolarHBondContact O-N 3.48Å | ||
| 95 | C | 24.7 | Very low | 25.2 | Very low | 106 Ų | 106 | 114.6 Ų | 114.6 | 72% | 0.716 | 62% | 0.622 | S | S | * | * | trans | -73.6 | 123.8 | -176.8 | -149.3 | 0 | 0 | 0 | 0 | 110.7 | Q97 | C95-Q97 PolarHBondContact O-N 2.03Š| ||
| 96 | A | 24.9 | Very low | 25.1 | Very low | 90 Ų | 90 | 110.8 Ų | 110.8 | 74% | 0.744 | 61% | 0.613 | S | S | * | * | trans | -79.3 | 104.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | G94 K98 | G94-A96 PolarHBondContact O-N 3.48Å; A96-K98 PolarHBondContact O-N 3.22Å | ||
| 97 | Q | 24.2 | Very low | 25.1 | Very low | 189 Ų | 189 | 117 Ų | 117 | 88% | 0.883 | 63% | 0.631 | S | S | * | * | trans | -84.4 | 97.5 | 162.2 | -83 | -172.7 | -7.2 | 0 | 0 | 110.4 | C95 L99 | C95-Q97 PolarHBondContact O-N 2.03Å; Q97-L99 PolarHBondContact O-N 3.34Å; Q97-L99 VanDerWaalsContact O-N 3.14Å | ||
| 98 | K | 24 | Very low | 24.9 | Very low | 207 Ų | 207 | 117.6 Ų | 117.6 | 90% | 0.9 | 63% | 0.629 | S | S | * | * | trans | 16.7 | 80.4 | 143.9 | -148.3 | 175 | -169.8 | -179.8 | 0 | 116.4 | A96 | A96-K98 PolarHBondContact O-N 3.22Š| ||
| 99 | L | 22 | Very low | 24.7 | Very low | 107 Ų | 107 | 114.8 Ų | 114.8 | 56% | 0.56 | 63% | 0.63 | S | S | * | * | trans | -80.4 | 114.4 | 156.8 | -84.3 | 167.9 | 0 | 0 | 0 | 108.3 | R42 Q97 L101 | R42-L99 HydrophobicContact CG-CD1 4Å; Q97-L99 PolarHBondContact O-N 3.34Å; Q97-L99 VanDerWaalsContact O-N 3.14Å; L99-L101 PolarHBondContact O-N 2.97Å | ||
| 100 | S | 21.6 | Very low | 24.5 | Very low | 106 Ų | 106 | 115.2 Ų | 115.2 | 74% | 0.741 | 65% | 0.645 | S | S | * | * | trans | -55.4 | 132.3 | 175.2 | 42.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 101 | L | 23.7 | Very low | 24.3 | Very low | 104 Ų | 104 | 119.2 Ų | 119.2 | 55% | 0.545 | 67% | 0.674 | S | S | . | * | trans | -74.9 | 158.1 | 178.5 | -78.3 | 157 | 0 | 0 | 0 | 111.3 | L99 A103 L104 | L99-L101 PolarHBondContact O-N 2.97Å; L101-A103 HydrophobicContact CD2-CB 3.93Å; L101-L104 HydrophobicContact CD1-CB 3.46Å; L101-L104 VanDerWaalsContact CD1-CB 3.46Å; L101-L104 HydrophobicContact CD2-CB 3.93Å; L101-L104 HydrophobicContact CG-CB 4.31Å | ||
| 102 | P | 21.6 | Very low | 24.2 | Very low | 138 Ų | 138 | 118.7 Ų | 118.7 | 90% | 0.896 | 69% | 0.685 | S | S | * | * | S | Bend | -131 | 80.5 | 102.9 | 36.1 | -26.2 | 0 | 0 | 0 | 110.8 | |||
| 103 | A | 23.5 | Very low | 24.4 | Very low | 86 Ų | 86 | 123.6 Ų | 123.6 | 71% | 0.711 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -149.1 | 9.4 | 168.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | L101 | L101-A103 HydrophobicContact CD2-CB 3.93Š|
| 104 | L | 24.2 | Very low | 24.6 | Very low | 123 Ų | 123 | 126.4 Ų | 126.4 | 64% | 0.644 | 74% | 0.738 | S | S | * | * | trans | -149.9 | 74.1 | 178.3 | -108 | 144.6 | 0 | 0 | 0 | 108 | L101 | L101-L104 HydrophobicContact CD1-CB 3.46Å; L101-L104 VanDerWaalsContact CD1-CB 3.46Å; L101-L104 HydrophobicContact CD2-CB 3.93Å; L101-L104 HydrophobicContact CG-CB 4.31Å | ||
| 105 | R | 22 | Very low | 24.7 | Very low | 231 Ų | 231 | 129.4 Ų | 129.4 | 87% | 0.872 | 75% | 0.752 | S | S | * | * | trans | -66.5 | 143.8 | 153.8 | -77 | -178.1 | 170.8 | 173.9 | -3.4 | 106.8 | ||||
| 106 | D | 23.5 | Very low | 25.1 | Very low | 145 Ų | 145 | 131.2 Ų | 131.2 | 78% | 0.775 | 75% | 0.75 | S | S | * | * | trans | 85.2 | 51.2 | 168.1 | -45.6 | -29 | 0 | 0 | 0 | 118.4 | ||||
| 107 | F | 25.2 | Very low | 25.3 | Very low | 206 Ų | 206 | 131.4 Ų | 131.4 | 90% | 0.904 | 74% | 0.735 | S | S | * | * | trans | -131.9 | 98.2 | 143.4 | -115.9 | -88.5 | 0 | 0 | 0 | 110.8 | ||||
| 108 | A | 22.4 | Very low | 25.6 | Very low | 77 Ų | 77 | 125.1 Ų | 125.1 | 64% | 0.636 | 71% | 0.709 | S | S | * | * | trans | -86.8 | 144.9 | -176 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 109 | L | 23.7 | Very low | 25.9 | Very low | 175 Ų | 175 | 118.7 Ų | 118.7 | 92% | 0.916 | 69% | 0.69 | S | S | * | * | trans | 69 | 92.6 | 141.6 | -57.4 | 158.9 | 0 | 0 | 0 | 119.3 | ||||
| 110 | S | 24 | Very low | 26.2 | Very low | 112 Ų | 112 | 114.1 Ų | 114.1 | 78% | 0.783 | 67% | 0.666 | S | S | * | * | trans | -166.1 | 138.8 | 143.3 | -175.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 111 | P | 24.3 | Very low | 26.5 | Very low | 135 Ų | 135 | 115.7 Ų | 115.7 | 88% | 0.877 | 66% | 0.657 | S | S | * | * | trans | -85.5 | 107.9 | 171.9 | 33.4 | -26.8 | 0 | 0 | 0 | 109.8 | ||||
| 112 | G | 26.1 | Very low | 26.8 | Very low | 57 Ų | 57 | 113.2 Ų | 113.2 | 59% | 0.588 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -166.4 | 156.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 113 | P | 32.7 | Very low | 27 | Very low | 125 Ų | 125 | 109.5 Ų | 109.5 | 81% | 0.812 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 142.6 | 179.2 | 26.8 | -32.3 | 0 | 0 | 0 | 109.9 | ||
| 114 | P | 30.2 | Very low | 27.1 | Very low | 103 Ų | 103 | 109.8 Ų | 109.8 | 67% | 0.669 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 145.3 | -173 | 24.1 | -32 | 0 | 0 | 0 | 111.5 | H116 | P114-H116 PolarHBondContact O-N 3.09Š|
| 115 | P | 31 | Very low | 27.2 | Very low | 96 Ų | 96 | 109.8 Ų | 109.8 | 62% | 0.623 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -65 | 127.2 | 178 | 26 | -32.3 | 0 | 0 | 0 | 110.7 | H117 | P115-H117 PolarHBondContact O-CD2 2.99Å; P115-H117 PolarHBondContact O-N 3.36Å |
| 116 | H | 32.1 | Very low | 27.3 | Very low | 144 Ų | 144 | 101.6 Ų | 101.6 | 67% | 0.667 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 120.3 | 171.6 | -67.9 | -95.8 | 0 | 0 | 0 | 109.8 | D93 P114 | D93-H116 IonicContact OD2-ND1 3.5Å; P114-H116 PolarHBondContact O-N 3.09Å |
| 117 | H | 30.3 | Very low | 27.4 | Very low | 94 Ų | 94 | 98.4 Ų | 98.4 | 44% | 0.435 | 60% | 0.597 | S | S | . | * | trans | -96.9 | 112 | 176.7 | -72.4 | -73.5 | 0 | 0 | 0 | 109.8 | P115 C119 | P115-H117 PolarHBondContact O-CD2 2.99Å; P115-H117 PolarHBondContact O-N 3.36Å; H117-C119 PolarHBondContact O-N 3.49Å | ||
| 118 | V | 30.5 | Very low | 27.6 | Very low | 57 Ų | 57 | 93.3 Ų | 93.3 | 35% | 0.345 | 58% | 0.583 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -87.3 | 109.4 | 172.6 | -179 | 0 | 0 | 0 | 0 | 109 | I91 V120 | I91-V118 HydrophobicContact CD1-CG1 4.14Å; I91-V118 HydrophobicContact CG2-CG1 3.46Å; I91-V118 VanDerWaalsContact CG2-CG1 3.46Å; V118-V120 HydrophobicContact CG1-CG2 4.05Å |
| 119 | C | 29.3 | Very low | 27.8 | Very low | 72 Ų | 72 | 94.8 Ų | 94.8 | 49% | 0.486 | 58% | 0.575 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -91.9 | 115.2 | 171.8 | -72.1 | 0 | 0 | 0 | 0 | 109.2 | H117 | H117-C119 PolarHBondContact O-N 3.49Å |
| 120 | V | 29.1 | Very low | 28.1 | Very low | 11 Ų | 11 | 96.2 Ų | 96.2 | 7% | 0.067 | 57% | 0.568 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.7 | 114.8 | 175.3 | -177.9 | 0 | 0 | 0 | 0 | 108.3 | Q89 I91 V118 Y131 | Q89-V120 HydrophobicContact CB-CG1 4.43Å; Q89-V120 HydrophobicContact CG-CG1 3.89Å; Q89-V120 VanDerWaalsContact OE1-CG1 3.24Å; I91-V120 HydrophobicContact CD1-CG2 3.95Å; I91-V120 HydrophobicContact CG1-CG2 4.18Å; V118-V120 HydrophobicContact CG1-CG2 4.05Å; V120-Y131 HydrophobicContact CB-CD2 4.09Å; V120-Y131 HydrophobicContact CB-CE2 4.25Å; V120-Y131 HydrophobicContact CG2-CD2 3.98Å |
| 121 | Y | 28 | Very low | 28.3 | Very low | 139 Ų | 139 | 97 Ų | 97 | 55% | 0.545 | 56% | 0.555 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -89 | 113.6 | 174.7 | -168.3 | -102.6 | 0 | 0 | 0 | 110 | A123 | Y121-A123 HydrophobicContact CD1-CB 4.17Å; Y121-A123 HydrophobicContact CE1-CB 4Å; Y121-A123 PolarHBondContact O-N 3.14Å |
| 122 | N | 28.4 | Very low | 28.4 | Very low | 52 Ų | 52 | 99.1 Ų | 99.1 | 28% | 0.278 | 55% | 0.55 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -91.3 | 96.1 | 169.7 | -171.5 | 0.1 | 0 | 0 | 0 | 109.5 | A124 Q125 G126 | N122-A124 PolarHBondContact O-N 3.22Å; N122-A124 VanDerWaalsContact O-N 3.08Å; N122-A124 WeakPolarHBondContact OD1-CB 3.24Å; N122-A124 PolarHBondContact OD1-N 3.44Å; N122-Q125 PolarHBondContact ND2-OE1 3.3Å; N122-Q125 VanDerWaalsContact ND2-OE1 3.11Å; N122-Q125 PolarHBondContact O-N 3.16Å; N122-Q125 VanDerWaalsContact O-N 3.08Å; N122-G126 PolarHBondContact O-N 2.91Å |
| 123 | A | 26.1 | Very low | 28.5 | Very low | 60 Ų | 60 | 106.8 Ų | 106.8 | 50% | 0.496 | 57% | 0.568 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -58.4 | -21.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y121 Q125 | Y121-A123 HydrophobicContact CD1-CB 4.17Å; Y121-A123 HydrophobicContact CE1-CB 4Å; Y121-A123 PolarHBondContact O-N 3.14Å; A123-Q125 VanDerWaalsContact C-N 3.35Å |
| 124 | A | 26.2 | Very low | 28.2 | Very low | 91 Ų | 91 | 104.2 Ų | 104.2 | 75% | 0.752 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.4 | -15 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | N122 | N122-A124 PolarHBondContact O-N 3.22Å; N122-A124 VanDerWaalsContact O-N 3.08Å; N122-A124 WeakPolarHBondContact OD1-CB 3.24Å; N122-A124 PolarHBondContact OD1-N 3.44Å |
| 125 | Q | 26.3 | Very low | 27.9 | Very low | 124 Ų | 124 | 107.7 Ų | 107.7 | 58% | 0.579 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.7 | -10.2 | -171.4 | -69 | -173.2 | -40.1 | 0 | 0 | 114.6 | N122 A123 V127 | N122-Q125 PolarHBondContact ND2-OE1 3.3Å; N122-Q125 VanDerWaalsContact ND2-OE1 3.11Å; N122-Q125 PolarHBondContact O-N 3.16Å; N122-Q125 VanDerWaalsContact O-N 3.08Å; A123-Q125 VanDerWaalsContact C-N 3.35Å; Q125-V127 WeakPolarHBondContact O-CG2 2.78Å; Q125-V127 PolarHBondContact O-N 3.3Å; Q125-V127 VanDerWaalsContact O-N 3.12Å |
| 126 | G | 24.4 | Very low | 27.6 | Very low | 58 Ų | 58 | 108.7 Ų | 108.7 | 60% | 0.598 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 62.9 | 15.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | N122 | N122-G126 PolarHBondContact O-N 2.91Š|
| 127 | V | 24.9 | Very low | 27.3 | Very low | 78 Ų | 78 | 107.4 Ų | 107.4 | 47% | 0.473 | 59% | 0.585 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -118.3 | 126.6 | -177.3 | 179.7 | 0 | 0 | 0 | 0 | 110 | Q125 K129 | Q125-V127 WeakPolarHBondContact O-CG2 2.78Å; Q125-V127 PolarHBondContact O-N 3.3Å; Q125-V127 VanDerWaalsContact O-N 3.12Å; V127-K129 HydrophobicContact CG1-CG 4.34Å |
| 128 | T | 29 | Very low | 27 | Very low | 99 Ų | 99 | 113 Ų | 113 | 61% | 0.607 | 61% | 0.608 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -80.5 | 120 | 169.4 | -7.9 | 0 | 0 | 0 | 0 | 109 | ||
| 129 | K | 27.3 | Very low | 26.9 | Very low | 108 Ų | 108 | 114 Ų | 114 | 47% | 0.47 | 61% | 0.614 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -107.8 | 124.5 | 171.4 | -75.5 | -173.3 | 177.3 | -177.8 | 0 | 109.5 | V127 Y131 | V127-K129 HydrophobicContact CG1-CG 4.34Å; K129-Y131 HydrophobicContact CB-CD2 4.15Å; K129-Y131 HydrophobicContact CB-CE2 3.46Å; K129-Y131 VanDerWaalsContact CB-CE2 3.46Å; K129-Y131 HydrophobicContact CD-CE2 4.48Å; K129-Y131 WeakPolarHBondContact CD-OH 2.81Å; K129-Y131 WeakPolarHBondContact O-CD2 3.36Å |
| 130 | R | 30.2 | Very low | 26.7 | Very low | 205 Ų | 205 | 118.7 Ų | 118.7 | 77% | 0.774 | 63% | 0.627 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -75.8 | 122.4 | 169.5 | -75.9 | -176.2 | -176.6 | -180 | 1.4 | 108.2 | ||
| 131 | Y | 28.5 | Very low | 26.6 | Very low | 130 Ų | 130 | 120.9 Ų | 120.9 | 51% | 0.51 | 64% | 0.642 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.6 | 128.2 | 171.9 | -69.8 | -83.1 | 0 | 0 | 0 | 109.7 | V120 K129 | V120-Y131 HydrophobicContact CB-CD2 4.09Å; V120-Y131 HydrophobicContact CB-CE2 4.25Å; V120-Y131 HydrophobicContact CG2-CD2 3.98Å; K129-Y131 HydrophobicContact CB-CD2 4.15Å; K129-Y131 HydrophobicContact CB-CE2 3.46Å; K129-Y131 VanDerWaalsContact CB-CE2 3.46Å; K129-Y131 HydrophobicContact CD-CE2 4.48Å; K129-Y131 WeakPolarHBondContact CD-OH 2.81Å; K129-Y131 WeakPolarHBondContact O-CD2 3.36Å |
| 132 | F | 26 | Very low | 26.6 | Very low | 178 Ų | 178 | 122.8 Ų | 122.8 | 78% | 0.781 | 65% | 0.649 | S | S | * | * | trans | -84.4 | 141.7 | 165.6 | -73.2 | -90.6 | 0 | 0 | 0 | 108.7 | ||||
| 133 | K | 29.1 | Very low | 26.5 | Very low | 219 Ų | 219 | 127.1 Ų | 127.1 | 95% | 0.952 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -48.8 | 140 | -164.5 | -164.2 | 176.2 | -177 | 178 | 0 | 115.5 | ||
| 134 | G | 24.6 | Very low | 26.4 | Very low | 71 Ų | 71 | 131.2 Ų | 131.2 | 73% | 0.732 | 68% | 0.681 | S | S | * | * | trans | 177 | 22 | 170.4 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 135 | M | 25.7 | Very low | 26.2 | Very low | 175 Ų | 175 | 132.6 Ų | 132.6 | 86% | 0.862 | 68% | 0.681 | S | S | * | * | trans | -138.8 | 141.6 | 177.2 | -68.6 | -162.7 | -45.5 | 0 | 0 | 115.1 | T137 | M135-T137 PolarHBondContact O-N 3.41Š| ||
| 136 | S | 23.7 | Very low | 26.1 | Very low | 118 Ų | 118 | 135 Ų | 135 | 83% | 0.825 | 69% | 0.691 | S | S | * | * | trans | -85.3 | 71.9 | -169.1 | 52.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 137 | T | 26 | Very low | 26 | Very low | 117 Ų | 117 | 137.1 Ų | 137.1 | 72% | 0.718 | 70% | 0.696 | S | S | * | * | trans | -128.1 | 112.7 | 167.4 | -0.3 | 0 | 0 | 0 | 0 | 108.8 | M135 V139 | M135-T137 PolarHBondContact O-N 3.41Å; T137-V139 PolarHBondContact O-N 3.38Å; T137-V139 VanDerWaalsContact O-N 3.08Å | ||
| 138 | F | 24.1 | Very low | 25.9 | Very low | 211 Ų | 211 | 144.1 Ų | 144.1 | 93% | 0.925 | 72% | 0.716 | S | S | * | * | trans | -69.7 | 103.2 | 177 | -72.9 | -86.2 | 0 | 0 | 0 | 109.5 | ||||
| 139 | V | 27.9 | Very low | 25.8 | Very low | 77 Ų | 77 | 141.8 Ų | 141.8 | 47% | 0.467 | 71% | 0.712 | S | S | . | * | trans | -95.6 | 111.8 | 164.8 | -177.8 | 0 | 0 | 0 | 0 | 106.8 | T137 C141 | T137-V139 PolarHBondContact O-N 3.38Å; T137-V139 VanDerWaalsContact O-N 3.08Å; V139-C141 PolarHBondContact O-N 2.79Å | ||
| 140 | K | 25.4 | Very low | 25.6 | Very low | 172 Ų | 172 | 143.3 Ų | 143.3 | 75% | 0.748 | 72% | 0.718 | S | S | * | * | trans | -78.4 | 100.7 | 168.8 | -92.4 | -179.4 | 176.7 | 173.3 | 0 | 108.3 | Y142 | K140-Y142 HydrophobicContact CB-CE2 4.26Š| ||
| 141 | C | 27.6 | Very low | 25.5 | Very low | 57 Ų | 57 | 135.6 Ų | 135.6 | 39% | 0.385 | 70% | 0.695 | S | S | . | * | P | Polyproline II helix | trans | -83.3 | 123 | 168.5 | -64.1 | 0 | 0 | 0 | 0 | 109 | V139 Y143 | V139-C141 PolarHBondContact O-N 2.79Å; C141-Y143 HydrophobicContact CB-CE2 4.05Å |
| 142 | Y | 26.9 | Very low | 25.4 | Very low | 179 Ų | 179 | 132.5 Ų | 132.5 | 70% | 0.702 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -94.4 | 122.3 | 168.6 | -68 | -89 | 0 | 0 | 0 | 108.5 | K140 | K140-Y142 HydrophobicContact CB-CE2 4.26Š|
| 143 | Y | 26.1 | Very low | 25.5 | Very low | 142 Ų | 142 | 130.7 Ų | 130.7 | 56% | 0.557 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -98.6 | 126.4 | 169 | -66.6 | -87.2 | 0 | 0 | 0 | 108.3 | C141 | C141-Y143 HydrophobicContact CB-CE2 4.05Š|
| 144 | V | 24.7 | Very low | 25.4 | Very low | 146 Ų | 146 | 122.7 Ų | 122.7 | 89% | 0.885 | 66% | 0.656 | S | S | * | * | trans | -101.1 | 106.5 | 162.4 | -178.8 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 145 | T | 23 | Very low | 25.6 | Very low | 121 Ų | 121 | 124.1 Ų | 124.1 | 74% | 0.742 | 65% | 0.654 | S | S | * | * | trans | -92.1 | 107.6 | 172 | 44.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 146 | E | 23.1 | Very low | 25.6 | Very low | 173 Ų | 173 | 121.2 Ų | 121.2 | 81% | 0.808 | 64% | 0.642 | S | S | * | * | trans | -167.9 | 127.6 | 142.7 | -106.5 | 168.6 | -151.5 | 0 | 0 | 110.9 | ||||
| 147 | C | 22.1 | Very low | 25.7 | Very low | 104 Ų | 104 | 123.4 Ų | 123.4 | 70% | 0.703 | 64% | 0.639 | S | S | * | * | S | Bend | trans | 38.7 | 112.8 | 154 | -63.7 | 0 | 0 | 0 | 0 | 119.6 | ||
| 148 | Y | 23.9 | Very low | 25.7 | Very low | 225 Ų | 225 | 125.9 Ų | 125.9 | 88% | 0.882 | 64% | 0.635 | S | S | * | * | S | Bend | trans | 62.8 | 81.5 | 162.7 | -63 | -84.3 | 0 | 0 | 0 | 116.2 | ||
| 149 | G | 25.7 | Very low | 25.7 | Very low | 50 Ų | 50 | 122.7 Ų | 122.7 | 52% | 0.515 | 63% | 0.628 | S | S | . | * | trans | 75.7 | 82.9 | 152.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 150 | F | 24.3 | Very low | 25.6 | Very low | 140 Ų | 140 | 124.7 Ų | 124.7 | 61% | 0.614 | 64% | 0.635 | S | S | * | * | trans | -139.5 | 140.4 | 163.9 | -77.2 | -85.1 | 0 | 0 | 0 | 111.5 | ||||
| 151 | C | 26.4 | Very low | 25.7 | Very low | 42 Ų | 42 | 120.8 Ų | 120.8 | 28% | 0.284 | 64% | 0.635 | S | S | . | * | P | Polyproline II helix | trans | -97 | 134 | 178.5 | -46.5 | 0 | 0 | 0 | 0 | 108.7 | C23 | C23-C151 HydrophobicContact CB-CB 3.51Å; C23-C151 WeakPolarHBondContact CB-SG 3.47Å; C23-C151 PolarHBondContact N-SG 3.35Å; C23-C151 VanDerWaalsContact N-SG 3.38Å; C23-C151 WeakPolarHBondContact SG-CB 3.33Å; C23-C151 CovalentContact SG-SG 2.03Å; C23-C151 PolarHBondContact SG-SG 3.25Å |
| 152 | A | 26.9 | Very low | 25.9 | Very low | 65 Ų | 65 | 129.3 Ų | 129.3 | 54% | 0.537 | 68% | 0.676 | S | S | . | * | P | Polyproline II helix | trans | -76.4 | 148.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 153 | F | 27.6 | Very low | 25.8 | Very low | 140 Ų | 140 | 126.8 Ų | 126.8 | 61% | 0.614 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -103.5 | 137.2 | 172.6 | -64.5 | -87 | 0 | 0 | 0 | 110.5 | L76 | L76-F153 HydrophobicContact CD1-CE1 4.11Š|
| 154 | I | 28.3 | Very low | 25.8 | Very low | 51 Ų | 51 | 126 Ų | 126 | 26% | 0.262 | 68% | 0.681 | S | S | . | * | trans | -109.2 | 114.3 | 170.3 | -72.2 | 165.7 | 0 | 0 | 0 | 108.1 | V92 L156 | V92-I154 HydrophobicContact CB-CD1 3.62Å; V92-I154 HydrophobicContact CG1-CD1 3.35Å; V92-I154 HydrophobicContact CG2-CD1 3.33Å; I154-L156 HydrophobicContact CG2-CG 4.36Å | ||
| 155 | S | 27.9 | Very low | 25.9 | Very low | 101 Ų | 101 | 124.9 Ų | 124.9 | 71% | 0.706 | 67% | 0.67 | S | S | * | * | trans | -99.8 | 113 | 165 | -175.5 | 0 | 0 | 0 | 0 | 108 | Q157 | S155-Q157 PolarHBondContact O-N 2.94Š| ||
| 156 | L | 26.8 | Very low | 26 | Very low | 115 Ų | 115 | 125.1 Ų | 125.1 | 60% | 0.602 | 67% | 0.665 | S | S | * | * | trans | -80.2 | 94.3 | 168.5 | -80.4 | 164.6 | 0 | 0 | 0 | 108.2 | I90 I154 | I90-L156 HydrophobicContact CG1-CD1 4.37Å; I90-L156 HydrophobicContact CG2-CD1 4.25Å; I154-L156 HydrophobicContact CG2-CG 4.36Å | ||
| 157 | Q | 24.9 | Very low | 26.2 | Very low | 163 Ų | 163 | 122.1 Ų | 122.1 | 76% | 0.762 | 66% | 0.656 | S | S | * | * | trans | -87 | 108.6 | 164.3 | -161.1 | 168.6 | -9.4 | 0 | 0 | 107.9 | S155 D159 | S155-Q157 PolarHBondContact O-N 2.94Å; Q157-D159 PolarHBondContact O-N 2.86Å | ||
| 158 | R | 25.6 | Very low | 26.5 | Very low | 170 Ų | 170 | 123.3 Ų | 123.3 | 64% | 0.642 | 65% | 0.653 | S | S | * | * | trans | -75.8 | 109.3 | 166 | -129 | -179 | -174.6 | 166.8 | 2.7 | 106.4 | S86 I160 | S86-R158 PolarHBondContact OG-NH2 3.31Å; S86-R158 VanDerWaalsContact OG-NH2 3.11Å; R158-I160 PolarHBondContact O-N 2.96Å; R158-I160 VanDerWaalsContact O-N 3.17Å | ||
| 159 | D | 25.7 | Very low | 26.7 | Very low | 144 Ų | 144 | 116.1 Ų | 116.1 | 77% | 0.77 | 64% | 0.637 | S | S | * | * | trans | -63.1 | 114.7 | 159 | -84.7 | -32.3 | 0 | 0 | 0 | 107.1 | Q157 A161 | Q157-D159 PolarHBondContact O-N 2.86Å; D159-A161 VanDerWaalsContact C-N 3.28Å; D159-A161 PolarHBondContact O-N 3.28Å; D159-A161 VanDerWaalsContact O-N 3.08Å | ||
| 160 | I | 25.7 | Very low | 26.7 | Very low | 119 Ų | 119 | 121.2 Ų | 121.2 | 61% | 0.61 | 65% | 0.646 | S | S | * | * | trans | -72.3 | 95.8 | 162.4 | -60.9 | 173.7 | 0 | 0 | 0 | 104.4 | R158 N162 | R158-I160 PolarHBondContact O-N 2.96Å; R158-I160 VanDerWaalsContact O-N 3.17Å; I160-N162 PolarHBondContact O-N 3.41Å | ||
| 161 | A | 26.5 | Very low | 26.9 | Very low | 90 Ų | 90 | 119.6 Ų | 119.6 | 74% | 0.744 | 65% | 0.649 | S | S | * | * | trans | -65.1 | 128.2 | 155.1 | 0 | 0 | 0 | 0 | 0 | 106.9 | D159 | D159-A161 VanDerWaalsContact C-N 3.28Å; D159-A161 PolarHBondContact O-N 3.28Å; D159-A161 VanDerWaalsContact O-N 3.08Å | ||
| 162 | N | 31.1 | Very low | 27 | Very low | 235 Ų | 235 | 126.6 Ų | 126.6 | 100% | 1.257 | 68% | 0.682 | S | S | * | * | trans | -41.4 | 0 | -179.8 | -71.4 | -39.8 | 0 | 0 | 0 | 114.1 | I160 | I160-N162 PolarHBondContact O-N 3.41Š|
Retrieved 162 of 162 residues in 159.1 ms
(Link to these results)