| 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 | 39.2 | Very low | 50.8 | Low | 245 Ų | 245 | 164.4 Ų | 164.4 | 100% | 1.207 | 87% | 0.873 | S | S | * | * | 0 | 96.9 | 0 | -71.3 | -76.8 | 176 | 0 | 0 | 107.3 | |||||
| 2 | A | 40.1 | Very low | 53.1 | Low | 104 Ų | 104 | 158.6 Ų | 158.6 | 86% | 0.86 | 87% | 0.865 | S | S | * | * | trans | -68.3 | 133.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | G4 | A2-G4 PolarHBondContact O-N 2.84Å; A2-G4 VanDerWaalsContact O-N 3.1Å | ||
| 3 | E | 43.5 | Very low | 55.3 | Low | 197 Ų | 197 | 157.7 Ų | 157.7 | 92% | 0.921 | 85% | 0.851 | S | S | * | * | trans | -59.3 | 111.8 | 171.2 | -79.3 | -173.4 | 130.2 | 0 | 0 | 109.2 | D5 | E3-D5 PolarHBondContact O-N 3.24Š| ||
| 4 | G | 43.8 | Very low | 57.5 | Low | 68 Ų | 68 | 154.1 Ų | 154.1 | 70% | 0.701 | 84% | 0.842 | S | S | * | * | trans | -61.6 | 127.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | A2 K6 | A2-G4 PolarHBondContact O-N 2.84Å; A2-G4 VanDerWaalsContact O-N 3.1Å; G4-K6 PolarHBondContact O-N 3.43Å | ||
| 5 | D | 48.6 | Very low | 59.4 | Low | 164 Ų | 164 | 150.5 Ų | 150.5 | 88% | 0.877 | 83% | 0.833 | S | S | * | * | trans | -46 | 110.9 | 170.6 | -88.4 | -50.8 | 0 | 0 | 0 | 111.7 | E3 K7 | E3-D5 PolarHBondContact O-N 3.24Å; D5-K7 PolarHBondContact O-N 3.47Å | ||
| 6 | K | 53.3 | Low | 61.3 | Low | 196 Ų | 196 | 145.6 Ų | 145.6 | 85% | 0.852 | 80% | 0.797 | S | S | * | * | trans | -64.6 | 99 | 169.4 | -73.9 | 176.4 | -177.8 | 164.7 | 0 | 108.1 | G4 V8 | G4-K6 PolarHBondContact O-N 3.43Å; K6-V8 PolarHBondContact O-N 3.37Å | ||
| 7 | K | 49.4 | Very low | 63.2 | Low | 207 Ų | 207 | 138.9 Ų | 138.9 | 90% | 0.9 | 76% | 0.761 | S | S | * | * | trans | -45.3 | 109.7 | 170.4 | -80.4 | -177.9 | 177.4 | 173.2 | 0 | 109.8 | D5 A9 | D5-K7 PolarHBondContact O-N 3.47Å; K7-A9 PolarHBondContact O-N 3.47Å | ||
| 8 | V | 57.6 | Low | 65 | Low | 133 Ų | 133 | 134.7 Ų | 134.7 | 81% | 0.806 | 74% | 0.741 | S | S | * | * | trans | -59.6 | 112.7 | 176.5 | 178.9 | 0 | 0 | 0 | 0 | 107.9 | K6 K10 | K6-V8 PolarHBondContact O-N 3.37Å; V8-K10 PolarHBondContact O-N 3.17Å; V8-K10 VanDerWaalsContact O-N 3.09Å | ||
| 9 | A | 60.8 | Low | 66.6 | Low | 84 Ų | 84 | 133.5 Ų | 133.5 | 69% | 0.694 | 74% | 0.738 | S | S | * | * | trans | -55.5 | 118.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | K7 K11 | K7-A9 PolarHBondContact O-N 3.47Å; A9-K11 PolarHBondContact O-N 3.33Å | ||
| 10 | K | 58.3 | Low | 68 | Low | 210 Ų | 210 | 133.4 Ų | 133.4 | 91% | 0.913 | 74% | 0.735 | S | S | * | * | trans | -55.3 | 109.7 | 176 | -76.6 | -177.4 | 178.7 | 176.3 | 0 | 108.4 | V8 A12 | V8-K10 PolarHBondContact O-N 3.17Å; V8-K10 VanDerWaalsContact O-N 3.09Å; K10-A12 PolarHBondContact O-N 2.8Å | ||
| 11 | K | 64.6 | Low | 69.3 | Low | 200 Ų | 200 | 129.4 Ų | 129.4 | 87% | 0.87 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 129.7 | 178.5 | -73.2 | -178.9 | 179.4 | 173.9 | 0 | 109 | A9 H13 | A9-K11 PolarHBondContact O-N 3.33Å; K11-H13 PolarHBondContact O-N 3.17Å |
| 12 | A | 78.1 | Confident | 71.9 | Confident | 95 Ų | 95 | 129.7 Ų | 129.7 | 79% | 0.785 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 140.6 | 171 | 0 | 0 | 0 | 0 | 0 | 109.9 | K10 C14 | K10-A12 PolarHBondContact O-N 2.8Å; A12-C14 PolarHBondContact O-N 3.3Å |
| 13 | H | 81.8 | Confident | 74.5 | Confident | 147 Ų | 147 | 128.7 Ų | 128.7 | 68% | 0.681 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 131.7 | 179.5 | -82.8 | -61.4 | 0 | 0 | 0 | 111.2 | K11 R16 | K11-H13 PolarHBondContact O-N 3.17Å; H13-R16 PolarHBondContact CD2-NH2 3.46Å; H13-R16 PolarHBondContact CE1-NH2 3.34Å; H13-R16 VanDerWaalsContact CE1-NH2 3.25Å; H13-R16 PolarHBondContact ND1-NH2 2.93Å; H13-R16 PolarHBondContact NE2-NH2 2.89Å; H13-R16 VanDerWaalsContact NE2-NH2 3.16Å |
| 14 | C | 85.3 | Confident | 76.9 | Confident | 107 Ų | 107 | 124.2 Ų | 124.2 | 72% | 0.723 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 167.9 | 170.8 | 58.5 | 0 | 0 | 0 | 0 | 111.9 | A12 R16 | A12-C14 PolarHBondContact O-N 3.3Å; C14-R16 PolarHBondContact O-N 3.04Å |
| 15 | S | 87.1 | Confident | 79.4 | Confident | 100 Ų | 100 | 122.5 Ų | 122.5 | 70% | 0.699 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 123.7 | 173.3 | 179.7 | 0 | 0 | 0 | 0 | 110.2 | N17 | S15-N17 VanDerWaalsContact C-N 3.25Å; S15-N17 PolarHBondContact O-N 3.11Å; S15-N17 PolarHBondContact OG-N 3.08Å; S15-N17 PolarHBondContact OG-O 3.2Å |
| 16 | R | 89.6 | Confident | 81.7 | Confident | 72 Ų | 72 | 122 Ų | 122 | 27% | 0.272 | 66% | 0.657 | S | S | . | * | S | Bend | trans | -83.2 | -0.3 | 175.8 | -63.8 | -179.3 | -175 | 153.9 | 3.8 | 113.4 | H13 C14 M32 | H13-R16 PolarHBondContact CD2-NH2 3.46Å; H13-R16 PolarHBondContact CE1-NH2 3.34Å; H13-R16 VanDerWaalsContact CE1-NH2 3.25Å; H13-R16 PolarHBondContact ND1-NH2 2.93Å; H13-R16 PolarHBondContact NE2-NH2 2.89Å; H13-R16 VanDerWaalsContact NE2-NH2 3.16Å; C14-R16 PolarHBondContact O-N 3.04Å; R16-M32 HydrophobicContact CB-CE 4.05Å |
| 17 | N | 94.1 | Very high | 83.8 | Confident | 32 Ų | 32 | 115.9 Ų | 115.9 | 17% | 0.171 | 63% | 0.629 | C | S | . | * | S | Bend | trans | -114.7 | 106.7 | 174.3 | -157.7 | -6.5 | 0 | 0 | 0 | 109.5 | S15 R26 Y27 M32 | S15-N17 VanDerWaalsContact C-N 3.25Å; S15-N17 PolarHBondContact O-N 3.11Å; S15-N17 PolarHBondContact OG-N 3.08Å; S15-N17 PolarHBondContact OG-O 3.2Å; N17-R26 PolarHBondContact OD1-N 3.05Å; N17-Y27 PolarHBondContact ND2-O 3.32Å; N17-Y27 WeakPolarHBondContact OD1-CD2 3.41Å; N17-Y27 PolarHBondContact OD1-N 3.48Å; N17-M32 HydrophobicContact CB-CE 3.86Å; N17-M32 HydrophobicContact CB-CG 4.29Å; N17-M32 HydrophobicContact CB-SD 3.61Å |
| 18 | P | 94.4 | Very high | 86 | Confident | 63 Ų | 63 | 109.4 Ų | 109.4 | 41% | 0.409 | 61% | 0.61 | S | S | . | * | trans | -66.3 | 151 | 173 | 28.3 | -30.8 | 0 | 0 | 0 | 110 | R26 Y27 | P18-R26 HydrophobicContact CG-CB 3.85Å; P18-R26 HydrophobicContact CG-CG 4.48Å; P18-R26 WeakPolarHBondContact O-CB 3.44Å; P18-R26 PolarHBondContact O-N 3.38Å; P18-Y27 HydrophobicContact CG-CE2 4.08Å | ||
| 19 | V | 95.3 | Very high | 87.7 | Confident | 112 Ų | 112 | 114.1 Ų | 114.1 | 68% | 0.679 | 61% | 0.613 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -81.7 | 126.9 | -178 | -178.7 | 0 | 0 | 0 | 0 | 108.8 | A21 | V19-A21 WeakPolarHBondContact CG1-O 3.47Å |
| 20 | L | 94.8 | Very high | 89.4 | Confident | 132 Ų | 132 | 114.4 Ų | 114.4 | 69% | 0.691 | 61% | 0.61 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -85.3 | -49.7 | 171.8 | -177.6 | 69.6 | 0 | 0 | 0 | 110 | I24 | L20-I24 PolarHBondContact N-O 3.01Å |
| 21 | A | 95.1 | Very high | 91.2 | Very high | 49 Ų | 49 | 106 Ų | 106 | 41% | 0.405 | 58% | 0.58 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -144.3 | 165.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | V19 G23 I24 | V19-A21 WeakPolarHBondContact CG1-O 3.47Å; A21-G23 PolarHBondContact O-N 3.12Å; A21-I24 PolarHBondContact N-O 2.98Å; A21-I24 PolarHBondContact O-N 2.8Å |
| 22 | R | 93.9 | Very high | 92.6 | Very high | 251 Ų | 251 | 97.9 Ų | 97.9 | 95% | 0.947 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | 114.2 | -179.1 | -177.9 | -179.4 | 176.2 | -171 | -4.6 | 110.4 | ||
| 23 | G | 94.1 | Very high | 93.4 | Very high | 84 Ų | 84 | 98.9 Ų | 98.9 | 87% | 0.866 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.6 | -8.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | A21 | A21-G23 PolarHBondContact O-N 3.12Š|
| 24 | I | 95.8 | Very high | 93.9 | Very high | 102 Ų | 102 | 94.5 Ų | 94.5 | 52% | 0.523 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 119.4 | -176.3 | -55.3 | 175.7 | 0 | 0 | 0 | 109.5 | L20 A21 | L20-I24 PolarHBondContact N-O 3.01Å; A21-I24 PolarHBondContact N-O 2.98Å; A21-I24 PolarHBondContact O-N 2.8Å |
| 25 | G | 96.2 | Very high | 94.2 | Very high | 32 Ų | 32 | 95.5 Ų | 95.5 | 33% | 0.33 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 154.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 26 | R | 96.1 | Very high | 94.4 | Very high | 154 Ų | 154 | 96.8 Ų | 96.8 | 58% | 0.581 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -64.6 | -40.1 | 178.5 | -173.6 | -178.3 | -171.5 | -86.7 | -0.3 | 112.9 | N17 P18 | N17-R26 PolarHBondContact OD1-N 3.05Å; P18-R26 HydrophobicContact CG-CB 3.85Å; P18-R26 HydrophobicContact CG-CG 4.48Å; P18-R26 WeakPolarHBondContact O-CB 3.44Å; P18-R26 PolarHBondContact O-N 3.38Å |
| 27 | Y | 96.6 | Very high | 94.5 | Very high | 68 Ų | 68 | 94.6 Ų | 94.6 | 27% | 0.267 | 49% | 0.494 | S | S | . | . | S | Bend | trans | -97.4 | 143.1 | -175.9 | -60.4 | -66.1 | 0 | 0 | 0 | 112 | N17 P18 M32 | N17-Y27 PolarHBondContact ND2-O 3.32Å; N17-Y27 WeakPolarHBondContact OD1-CD2 3.41Å; N17-Y27 PolarHBondContact OD1-N 3.48Å; P18-Y27 HydrophobicContact CG-CE2 4.08Å; Y27-M32 HydrophobicContact CD2-SD 4.22Å |
| 28 | S | 95.8 | Very high | 94.3 | Very high | 70 Ų | 70 | 96.1 Ų | 96.1 | 49% | 0.49 | 50% | 0.501 | S | S | . | . | trans | -68.7 | 169.3 | 172.6 | 70.4 | 0 | 0 | 0 | 0 | 112.5 | S30 M32 | S28-S30 PolarHBondContact O-N 3.48Å; S28-S30 PolarHBondContact OG-OG 3.45Å; S28-M32 WeakPolarHBondContact O-CB 3.35Å; S28-M32 WeakPolarHBondContact O-CG 3.44Å; S28-M32 PolarHBondContact O-N 3.48Å | ||
| 29 | R | 94.9 | Very high | 94 | Very high | 233 Ų | 233 | 98.6 Ų | 98.6 | 88% | 0.879 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.6 | -42.9 | -178.1 | -173 | 175.8 | 177.4 | 177.9 | -2 | 112.9 | M32 Y33 | R29-M32 PolarHBondContact O-N 3.48Å; R29-Y33 WeakPolarHBondContact O-CB 3.47Å; R29-Y33 PolarHBondContact O-N 3.2Å |
| 30 | S | 95.6 | Very high | 93.8 | Very high | 90 Ų | 90 | 100.9 Ų | 100.9 | 63% | 0.629 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -67.3 | -46.4 | 179.7 | 51.6 | 0 | 0 | 0 | 0 | 111.8 | S28 M32 Y33 A34 | S28-S30 PolarHBondContact O-N 3.48Å; S28-S30 PolarHBondContact OG-OG 3.45Å; S30-M32 VanDerWaalsContact C-N 3.31Å; S30-M32 PolarHBondContact O-N 3.24Å; S30-Y33 WeakPolarHBondContact O-CB 3.47Å; S30-Y33 PolarHBondContact O-N 3.42Å; S30-Y33 VanDerWaalsContact O-N 3.13Å; S30-A34 PolarHBondContact O-N 3.42Å; S30-A34 VanDerWaalsContact O-N 3.11Å |
| 31 | A | 95.5 | Very high | 93.3 | Very high | 34 Ų | 34 | 101.5 Ų | 101.5 | 28% | 0.281 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.3 | -43.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y33 A34 R35 | A31-Y33 VanDerWaalsContact C-N 3.35Å; A31-Y33 PolarHBondContact O-N 3.48Å; A31-A34 PolarHBondContact O-N 3.13Å; A31-R35 WeakPolarHBondContact O-CB 3.04Å; A31-R35 WeakPolarHBondContact O-CG 3.1Å; A31-R35 PolarHBondContact O-N 2.94Å |
| 32 | M | 95.1 | Very high | 92.6 | Very high | 29 Ų | 29 | 107 Ų | 107 | 14% | 0.143 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -66.2 | -33.2 | 176.5 | -80 | -60 | -61.5 | 0 | 0 | 113.7 | R16 N17 Y27 S28 R29 S30 R36 | R16-M32 HydrophobicContact CB-CE 4.05Å; N17-M32 HydrophobicContact CB-CE 3.86Å; N17-M32 HydrophobicContact CB-CG 4.29Å; N17-M32 HydrophobicContact CB-SD 3.61Å; Y27-M32 HydrophobicContact CD2-SD 4.22Å; S28-M32 WeakPolarHBondContact O-CB 3.35Å; S28-M32 WeakPolarHBondContact O-CG 3.44Å; S28-M32 PolarHBondContact O-N 3.48Å; R29-M32 PolarHBondContact O-N 3.48Å; S30-M32 VanDerWaalsContact C-N 3.31Å; S30-M32 PolarHBondContact O-N 3.24Å; M32-R36 HydrophobicContact CE-CG 4.14Å; M32-R36 VanDerWaalsContact O-CB 3.27Å; M32-R36 WeakPolarHBondContact O-CB 3.3Å; M32-R36 VanDerWaalsContact O-CG 3.27Å; M32-R36 WeakPolarHBondContact O-CG 3.26Å; M32-R36 PolarHBondContact O-N 2.93Å |
| 33 | Y | 93.6 | Very high | 91.7 | Very high | 116 Ų | 116 | 101.1 Ų | 101.1 | 46% | 0.455 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.9 | -48.4 | 174.8 | 179 | -91.8 | 0 | 0 | 0 | 111.2 | R29 S30 A31 R36 A37 M38 Y39 | R29-Y33 WeakPolarHBondContact O-CB 3.47Å; R29-Y33 PolarHBondContact O-N 3.2Å; S30-Y33 WeakPolarHBondContact O-CB 3.47Å; S30-Y33 PolarHBondContact O-N 3.42Å; S30-Y33 VanDerWaalsContact O-N 3.13Å; A31-Y33 VanDerWaalsContact C-N 3.35Å; A31-Y33 PolarHBondContact O-N 3.48Å; Y33-R36 PolarHBondContact O-N 3.19Å; Y33-A37 PolarHBondContact O-N 3.4Å; Y33-M38 HydrophobicContact CD2-CB 3.5Å; Y33-M38 HydrophobicContact CD2-CG 4.15Å; Y33-M38 HydrophobicContact CE2-CB 3.39Å; Y33-M38 HydrophobicContact CE2-CG 4.42Å; Y33-M38 HydrophobicContact CG-CB 4.11Å; Y33-M38 PolarHBondContact O-N 3.11Å; Y33-M38 VanDerWaalsContact O-N 3.13Å; Y33-Y39 HydrophobicContact CE1-CD1 4.43Å; Y33-Y39 WeakPolarHBondContact OH-CA 3.03Å; Y33-Y39 PolarHBondContact OH-N 2.93Å |
| 34 | A | 93.8 | Very high | 90.5 | Very high | 55 Ų | 55 | 106.8 Ų | 106.8 | 46% | 0.455 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.7 | -47.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | S30 A31 R36 A37 | S30-A34 PolarHBondContact O-N 3.42Å; S30-A34 VanDerWaalsContact O-N 3.11Å; A31-A34 PolarHBondContact O-N 3.13Å; A34-R36 VanDerWaalsContact C-N 3.26Å; A34-R36 PolarHBondContact O-N 3.27Å; A34-A37 WeakPolarHBondContact O-CA 3.48Å; A34-A37 PolarHBondContact O-N 3.46Å |
| 35 | R | 91.6 | Very high | 88.7 | Confident | 128 Ų | 128 | 107.7 Ų | 107.7 | 48% | 0.483 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.3 | -29.8 | 178.2 | -70.5 | 174.7 | 74.4 | 78.4 | 2.9 | 113.6 | A31 | A31-R35 WeakPolarHBondContact O-CB 3.04Å; A31-R35 WeakPolarHBondContact O-CG 3.1Å; A31-R35 PolarHBondContact O-N 2.94Å |
| 36 | R | 91.1 | Very high | 87 | Confident | 126 Ų | 126 | 111 Ų | 111 | 48% | 0.475 | 53% | 0.529 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -4.4 | 173.7 | -73.2 | 177 | 67.1 | 177.7 | 1.3 | 112.9 | M32 Y33 A34 M38 | M32-R36 HydrophobicContact CE-CG 4.14Å; M32-R36 VanDerWaalsContact O-CB 3.27Å; M32-R36 WeakPolarHBondContact O-CB 3.3Å; M32-R36 VanDerWaalsContact O-CG 3.27Å; M32-R36 WeakPolarHBondContact O-CG 3.26Å; M32-R36 PolarHBondContact O-N 2.93Å; Y33-R36 PolarHBondContact O-N 3.19Å; A34-R36 VanDerWaalsContact C-N 3.26Å; A34-R36 PolarHBondContact O-N 3.27Å; R36-M38 HydrophobicContact CB-CG 3.68Å; R36-M38 HydrophobicContact CB-SD 4.2Å; R36-M38 PolarHBondContact O-N 2.93Å |
| 37 | A | 92.3 | Very high | 85.2 | Confident | 27 Ų | 27 | 112.3 Ų | 112.3 | 22% | 0.223 | 54% | 0.542 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 50.2 | 36.5 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y33 A34 Y39 K40 R41 | Y33-A37 PolarHBondContact O-N 3.4Å; A34-A37 WeakPolarHBondContact O-CA 3.48Å; A34-A37 PolarHBondContact O-N 3.46Å; A37-Y39 HydrophobicContact CB-CE1 4.17Å; A37-Y39 PolarHBondContact O-N 3.37Å; A37-K40 PolarHBondContact O-N 2.98Å; A37-R41 PolarHBondContact O-N 3.13Å; A37-R41 VanDerWaalsContact O-N 3.15Å |
| 38 | M | 89.4 | Confident | 83.2 | Confident | 64 Ų | 64 | 115.6 Ų | 115.6 | 32% | 0.315 | 57% | 0.569 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.4 | -26.8 | -176.8 | -70.3 | -61.7 | -61.9 | 0 | 0 | 111.8 | Y33 R36 K40 R41 | Y33-M38 HydrophobicContact CD2-CB 3.5Å; Y33-M38 HydrophobicContact CD2-CG 4.15Å; Y33-M38 HydrophobicContact CE2-CB 3.39Å; Y33-M38 HydrophobicContact CE2-CG 4.42Å; Y33-M38 HydrophobicContact CG-CB 4.11Å; Y33-M38 PolarHBondContact O-N 3.11Å; Y33-M38 VanDerWaalsContact O-N 3.13Å; R36-M38 HydrophobicContact CB-CG 3.68Å; R36-M38 HydrophobicContact CB-SD 4.2Å; R36-M38 PolarHBondContact O-N 2.93Å; M38-K40 VanDerWaalsContact C-N 3.27Å; M38-K40 PolarHBondContact O-N 3.04Å; M38-R41 CarbonylContact O-C 3.56Å; M38-R41 PolarHBondContact O-N 2.89Å; M38-R41 VanDerWaalsContact O-N 3.15Å |
| 39 | Y | 88.5 | Confident | 81.1 | Confident | 114 Ų | 114 | 122 Ų | 122 | 45% | 0.447 | 59% | 0.588 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61.3 | -31.2 | 173.8 | 62.3 | -87.2 | 0 | 0 | 0 | 113.6 | Y33 A37 | Y33-Y39 HydrophobicContact CE1-CD1 4.43Å; Y33-Y39 WeakPolarHBondContact OH-CA 3.03Å; Y33-Y39 PolarHBondContact OH-N 2.93Å; A37-Y39 HydrophobicContact CB-CE1 4.17Å; A37-Y39 PolarHBondContact O-N 3.37Å |
| 40 | K | 90.6 | Very high | 79.1 | Confident | 161 Ų | 161 | 116.3 Ų | 116.3 | 70% | 0.7 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | -26.4 | 173.3 | -54.2 | -167.2 | 178.4 | -175.6 | 0 | 112.2 | A37 M38 K42 | A37-K40 PolarHBondContact O-N 2.98Å; M38-K40 VanDerWaalsContact C-N 3.27Å; M38-K40 PolarHBondContact O-N 3.04Å; K40-K42 VanDerWaalsContact C-N 3.29Å; K40-K42 PolarHBondContact O-N 3.06Å |
| 41 | R | 83.3 | Confident | 77.4 | Confident | 145 Ų | 145 | 120.4 Ų | 120.4 | 55% | 0.547 | 58% | 0.583 | S | S | . | * | trans | -94.8 | 48.9 | -178.4 | -61.3 | 178.4 | 178.4 | -160 | -4 | 111.4 | A37 M38 T43 | A37-R41 PolarHBondContact O-N 3.13Å; A37-R41 VanDerWaalsContact O-N 3.15Å; M38-R41 CarbonylContact O-C 3.56Å; M38-R41 PolarHBondContact O-N 2.89Å; M38-R41 VanDerWaalsContact O-N 3.15Å; R41-T43 PolarHBondContact O-N 2.87Å | ||
| 42 | K | 80.5 | Confident | 75.7 | Confident | 165 Ų | 165 | 128.2 Ų | 128.2 | 72% | 0.717 | 61% | 0.611 | S | S | * | * | trans | -74.9 | 109.8 | 168.9 | -63.5 | -176.7 | -175.4 | -178.6 | 0 | 106.9 | K40 K44 | K40-K42 VanDerWaalsContact C-N 3.29Å; K40-K42 PolarHBondContact O-N 3.06Å; K42-K44 PolarHBondContact O-N 3.35Å; K42-K44 VanDerWaalsContact O-N 3.11Å | ||
| 43 | T | 75.8 | Confident | 73.8 | Confident | 126 Ų | 126 | 136 Ų | 136 | 77% | 0.773 | 64% | 0.644 | S | S | * | * | trans | -64.8 | 111.5 | 166.4 | 45 | 0 | 0 | 0 | 0 | 106.5 | R41 T45 | R41-T43 PolarHBondContact O-N 2.87Å; T43-T45 VanDerWaalsContact C-N 3.34Å; T43-T45 PolarHBondContact O-N 2.95Å | ||
| 44 | K | 67.9 | Low | 72.4 | Confident | 203 Ų | 203 | 138 Ų | 138 | 88% | 0.883 | 66% | 0.662 | S | S | * | * | trans | -59.3 | 106.9 | 161.8 | -72.5 | -173.5 | 178.7 | -175.4 | 0 | 105.1 | K42 T46 | K42-K44 PolarHBondContact O-N 3.35Å; K42-K44 VanDerWaalsContact O-N 3.11Å; K44-T46 PolarHBondContact O-N 3.31Å | ||
| 45 | T | 58.8 | Low | 71.1 | Confident | 122 Ų | 122 | 144.7 Ų | 144.7 | 75% | 0.748 | 68% | 0.68 | S | S | * | * | trans | -58.2 | 109.6 | 168.4 | -34.3 | 0 | 0 | 0 | 0 | 104.5 | T43 E47 | T43-T45 VanDerWaalsContact C-N 3.34Å; T43-T45 PolarHBondContact O-N 2.95Å; T45-E47 PolarHBondContact O-N 2.99Å | ||
| 46 | T | 60.9 | Low | 70.1 | Confident | 102 Ų | 102 | 145.3 Ų | 145.3 | 63% | 0.626 | 70% | 0.698 | S | S | * | * | trans | -56.5 | 114.6 | 166.4 | 36.8 | 0 | 0 | 0 | 0 | 105.8 | K44 T48 I50 | K44-T46 PolarHBondContact O-N 3.31Å; T46-T48 PolarHBondContact O-N 3.43Å; T46-I50 HydrophobicContact CG2-CD1 4.44Å | ||
| 47 | E | 57.6 | Low | 69.3 | Low | 180 Ų | 180 | 148.2 Ų | 148.2 | 84% | 0.841 | 71% | 0.714 | S | S | * | * | trans | -47.4 | 127.5 | 173.5 | -68.4 | 178.1 | 175 | 0 | 0 | 108.1 | T45 K49 | T45-E47 PolarHBondContact O-N 2.99Å; E47-K49 VanDerWaalsContact C-N 3.28Å; E47-K49 PolarHBondContact O-N 3.36Å | ||
| 48 | T | 54.6 | Low | 68.7 | Low | 137 Ų | 137 | 153 Ų | 153 | 84% | 0.84 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -70 | 83.4 | -172.1 | 42.9 | 0 | 0 | 0 | 0 | 110.5 | T46 | T46-T48 PolarHBondContact O-N 3.43Š|
| 49 | K | 52.3 | Low | 68.4 | Low | 205 Ų | 205 | 154.4 Ų | 154.4 | 89% | 0.891 | 76% | 0.755 | S | S | * | * | trans | -127.2 | 19.9 | 149.5 | -84.5 | -170.6 | 178.8 | 179 | 0 | 111.9 | E47 E51 | E47-K49 VanDerWaalsContact C-N 3.28Å; E47-K49 PolarHBondContact O-N 3.36Å; K49-E51 PolarHBondContact O-N 2.98Å | ||
| 50 | I | 52.6 | Low | 68.2 | Low | 113 Ų | 113 | 153.2 Ų | 153.2 | 58% | 0.579 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -84.6 | 101.3 | 161.8 | -58.7 | 173.2 | 0 | 0 | 0 | 104.9 | T46 K52 | T46-I50 HydrophobicContact CG2-CD1 4.44Å; I50-K52 PolarHBondContact O-N 3.11Å; I50-K52 VanDerWaalsContact O-N 3.14Å |
| 51 | E | 59.8 | Low | 68.3 | Low | 176 Ų | 176 | 148.2 Ų | 148.2 | 82% | 0.822 | 75% | 0.746 | S | S | * | * | trans | -32.6 | 122.7 | 165.5 | -65.6 | 178.9 | 160.1 | 0 | 0 | 108.3 | K49 K53 | K49-E51 PolarHBondContact O-N 2.98Å; E51-K53 PolarHBondContact O-N 3.44Å | ||
| 52 | K | 58.8 | Low | 68.6 | Low | 199 Ų | 199 | 145.2 Ų | 145.2 | 87% | 0.865 | 74% | 0.74 | S | S | * | * | trans | -43.3 | 106.3 | 178.8 | -77.7 | 171.8 | 178.8 | 166.1 | 0 | 106.9 | I50 L54 | I50-K52 PolarHBondContact O-N 3.11Å; I50-K52 VanDerWaalsContact O-N 3.14Å; K52-L54 VanDerWaalsContact C-N 3.27Å; K52-L54 PolarHBondContact O-N 3.36Å | ||
| 53 | K | 57.1 | Low | 69.1 | Low | 193 Ų | 193 | 141.5 Ų | 141.5 | 84% | 0.839 | 73% | 0.731 | S | S | * | * | trans | -51.9 | 103.3 | 173.8 | -90.2 | -175.4 | 176.2 | -179.6 | 0 | 105.1 | E51 K55 | E51-K53 PolarHBondContact O-N 3.44Å; K53-K55 PolarHBondContact O-N 3.02Å | ||
| 54 | L | 62.4 | Low | 69.7 | Low | 157 Ų | 157 | 141.1 Ų | 141.1 | 82% | 0.822 | 72% | 0.719 | S | S | * | * | trans | -56.6 | 109.6 | -177.7 | -86 | 155.5 | 0 | 0 | 0 | 104 | K52 V56 | K52-L54 VanDerWaalsContact C-N 3.27Å; K52-L54 PolarHBondContact O-N 3.36Å; L54-V56 PolarHBondContact O-N 3.24Å | ||
| 55 | K | 67.1 | Low | 70.5 | Confident | 195 Ų | 195 | 137.3 Ų | 137.3 | 85% | 0.848 | 71% | 0.713 | S | S | * | * | trans | -50.9 | 114.4 | 174.9 | -83.5 | 179.9 | 174.9 | 176.6 | 0 | 105.4 | K53 K57 | K53-K55 PolarHBondContact O-N 3.02Å; K55-K57 PolarHBondContact O-N 3.15Å | ||
| 56 | V | 70.9 | Confident | 71.6 | Confident | 142 Ų | 142 | 133.8 Ų | 133.8 | 86% | 0.861 | 69% | 0.691 | S | S | * | * | trans | -51.9 | 105.5 | -180 | 177.7 | 0 | 0 | 0 | 0 | 106.2 | L54 T58 | L54-V56 PolarHBondContact O-N 3.24Å; V56-T58 PolarHBondContact O-N 2.87Å | ||
| 57 | K | 74.3 | Confident | 72.5 | Confident | 187 Ų | 187 | 132.1 Ų | 132.1 | 81% | 0.813 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 125.7 | -179.5 | -73.4 | -179.9 | -178.7 | 173.5 | 0 | 105.5 | K55 | K55-K57 PolarHBondContact O-N 3.15Š|
| 58 | T | 78.9 | Confident | 73.7 | Confident | 127 Ų | 127 | 126 Ų | 126 | 78% | 0.779 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 126.7 | 171.1 | 48.4 | 0 | 0 | 0 | 0 | 108.3 | V56 S60 | V56-T58 PolarHBondContact O-N 2.87Å; T58-S60 PolarHBondContact O-N 3.27Å |
| 59 | P | 82.9 | Confident | 74.8 | Confident | 94 Ų | 94 | 128 Ų | 128 | 61% | 0.61 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 132.7 | -172.7 | 23.8 | -33.3 | 0 | 0 | 0 | 109.9 | T61 M79 | P59-T61 VanDerWaalsContact C-N 3.31Å; P59-M79 WeakPolarHBondContact O-CE 3.36Å |
| 60 | S | 85.9 | Confident | 76.2 | Confident | 88 Ų | 88 | 128.3 Ų | 128.3 | 62% | 0.615 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -81.8 | -14.3 | 178.9 | 49.4 | 0 | 0 | 0 | 0 | 113.5 | T58 M79 | T58-S60 PolarHBondContact O-N 3.27Å; S60-M79 PolarHBondContact O-N 3.47Å |
| 61 | T | 90.9 | Very high | 77.2 | Confident | 57 Ų | 57 | 126.2 Ų | 126.2 | 35% | 0.35 | 68% | 0.677 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -127.3 | 141.1 | -172.5 | 45.4 | 0 | 0 | 0 | 0 | 110.1 | P59 V76 V77 K78 | P59-T61 VanDerWaalsContact C-N 3.31Å; T61-V76 VanDerWaalsContact CB-CG1 3.49Å; T61-V76 HydrophobicContact CG2-CG1 3.83Å; T61-V77 CarbonylContact C-O 3.59Å; T61-V77 WeakPolarHBondContact CA-O 3.47Å; T61-K78 HydrophobicContact CG2-CG 4.18Å |
| 62 | I | 90.9 | Very high | 78 | Confident | 82 Ų | 82 | 121.3 Ų | 121.3 | 42% | 0.421 | 67% | 0.673 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.2 | 129.4 | 173.2 | -63.2 | 173.5 | 0 | 0 | 0 | 107.4 | K64 V77 M79 | I62-K64 HydrophobicContact CG2-CG 4.27Å; I62-K64 PolarHBondContact O-N 3Å; I62-V77 PolarHBondContact N-O 2.98Å; I62-V77 PolarHBondContact O-N 3.23Å; I62-M79 HydrophobicContact CD1-CG 3.45Å; I62-M79 VanDerWaalsContact CD1-CG 3.45Å; I62-M79 HydrophobicContact CD1-SD 3.64Å; I62-M79 HydrophobicContact CG1-CG 3.61Å; I62-M79 HydrophobicContact CG1-SD 3.92Å |
| 63 | T | 90.3 | Very high | 79 | Confident | 87 Ų | 87 | 113.7 Ų | 113.7 | 53% | 0.534 | 65% | 0.651 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -76.7 | 113.3 | 168.5 | -52.6 | 0 | 0 | 0 | 0 | 108.3 | T74 R75 | T63-T74 HydrophobicContact CG2-CG2 3.95Å; T63-R75 CarbonylContact C-O 3.51Å; T63-R75 WeakPolarHBondContact CA-O 3.39Å |
| 64 | K | 87.8 | Confident | 80.5 | Confident | 118 Ų | 118 | 108.1 Ų | 108.1 | 51% | 0.513 | 63% | 0.633 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.8 | 132.7 | 174.6 | -67.1 | -167.1 | 173.6 | -167.2 | 0 | 109 | I62 T74 R75 V77 | I62-K64 HydrophobicContact CG2-CG 4.27Å; I62-K64 PolarHBondContact O-N 3Å; K64-T74 CarbonylContact O-C 3.47Å; K64-T74 WeakPolarHBondContact O-CA 3.36Å; K64-R75 PolarHBondContact N-O 3.32Å; K64-R75 PolarHBondContact O-N 3.43Å; K64-V77 HydrophobicContact CB-CG2 4.43Å; K64-V77 HydrophobicContact CD-CB 4.42Å; K64-V77 HydrophobicContact CD-CG2 4.15Å; K64-V77 HydrophobicContact CG-CG2 4.26Å |
| 65 | T | 86.3 | Confident | 81.6 | Confident | 123 Ų | 123 | 107.4 Ų | 107.4 | 76% | 0.755 | 62% | 0.619 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -67.7 | 136.8 | 167.8 | 46.3 | 0 | 0 | 0 | 0 | 109.3 | G73 T74 | T65-G73 CarbonylContact C-O 3.46Å; T65-G73 WeakPolarHBondContact CA-O 3.45Å; T65-T74 HydrophobicContact CG2-CG2 3.97Å |
| 66 | V | 80.4 | Confident | 82.7 | Confident | 47 Ų | 47 | 102.8 Ų | 102.8 | 29% | 0.285 | 61% | 0.608 | S | S | . | * | trans | -119.8 | 125.4 | 179.4 | -179.1 | 0 | 0 | 0 | 0 | 107.6 | G73 R75 | V66-G73 PolarHBondContact N-O 3.4Å; V66-R75 HydrophobicContact CB-CG 4.3Å; V66-R75 HydrophobicContact CG2-CB 3.79Å; V66-R75 HydrophobicContact CG2-CG 3.41Å; V66-R75 VanDerWaalsContact CG2-CG 3.41Å | ||
| 67 | G | 81.5 | Confident | 83.6 | Confident | 67 Ų | 67 | 98.1 Ų | 98.1 | 69% | 0.691 | 58% | 0.579 | S | S | * | * | trans | -74.6 | 155 | -178 | 0 | 0 | 0 | 0 | 0 | 113.5 | N71 | G67-N71 PolarHBondContact O-ND2 3.12Š| ||
| 68 | G | 82.3 | Confident | 84.4 | Confident | 53 Ų | 53 | 95.7 Ų | 95.7 | 55% | 0.546 | 57% | 0.569 | S | S | . | * | S | Bend | trans | 116 | 131.9 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | K70 N71 | G68-K70 PolarHBondContact O-N 3.48Å; G68-N71 WeakPolarHBondContact O-CB 3.3Å; G68-N71 PolarHBondContact O-N 3.38Å |
| 69 | D | 76.9 | Confident | 84.9 | Confident | 177 Ų | 177 | 94.9 Ų | 94.9 | 95% | 0.947 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.9 | -18.6 | -167.7 | -55.7 | -31.2 | 0 | 0 | 0 | 114.4 | ||
| 70 | K | 82.1 | Confident | 85.3 | Confident | 212 Ų | 212 | 101.3 Ų | 101.3 | 92% | 0.922 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.9 | 13.3 | 177.9 | -60.2 | -176.8 | -178.5 | 179.1 | 0 | 114 | G68 | G68-K70 PolarHBondContact O-N 3.48Š|
| 71 | N | 73.5 | Confident | 85.6 | Confident | 70 Ų | 70 | 105.7 Ų | 105.7 | 37% | 0.374 | 58% | 0.577 | S | S | . | * | S | Bend | trans | -105.2 | 8.5 | -167.4 | -143.4 | -6.5 | 0 | 0 | 0 | 115.1 | G67 G68 G73 | G67-N71 PolarHBondContact O-ND2 3.12Å; G68-N71 WeakPolarHBondContact O-CB 3.3Å; G68-N71 PolarHBondContact O-N 3.38Å; N71-G73 VanDerWaalsContact C-N 3.3Å; N71-G73 PolarHBondContact O-N 3.16Å |
| 72 | G | 76.7 | Confident | 85.7 | Confident | 73 Ų | 73 | 109.4 Ų | 109.4 | 75% | 0.753 | 59% | 0.592 | S | S | * | * | trans | 73.2 | 12.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 116 | T74 | G72-T74 VanDerWaalsContact C-N 3.27Å; G72-T74 PolarHBondContact O-N 3.25Å | ||
| 73 | G | 79.8 | Confident | 85.9 | Confident | 38 Ų | 38 | 109.6 Ų | 109.6 | 39% | 0.392 | 60% | 0.599 | S | S | . | * | S | Bend | trans | 75.2 | -44.1 | 163.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | T65 V66 N71 | T65-G73 CarbonylContact C-O 3.46Å; T65-G73 WeakPolarHBondContact CA-O 3.45Å; V66-G73 PolarHBondContact N-O 3.4Å; N71-G73 VanDerWaalsContact C-N 3.3Å; N71-G73 PolarHBondContact O-N 3.16Å |
| 74 | T | 88.8 | Confident | 86.3 | Confident | 76 Ų | 76 | 117.6 Ų | 117.6 | 47% | 0.466 | 62% | 0.62 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -138.7 | 148.3 | -178.4 | 66.6 | 0 | 0 | 0 | 0 | 114.2 | T63 K64 T65 G72 | T63-T74 HydrophobicContact CG2-CG2 3.95Å; K64-T74 CarbonylContact O-C 3.47Å; K64-T74 WeakPolarHBondContact O-CA 3.36Å; T65-T74 HydrophobicContact CG2-CG2 3.97Å; G72-T74 VanDerWaalsContact C-N 3.27Å; G72-T74 PolarHBondContact O-N 3.25Å |
| 75 | R | 85.3 | Confident | 86.7 | Confident | 142 Ų | 142 | 120.6 Ų | 120.6 | 54% | 0.536 | 63% | 0.629 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -130.5 | 134.4 | 173.5 | -65.8 | -66.3 | -176.4 | 165.7 | 0.3 | 110.6 | T63 K64 V66 V77 | T63-R75 CarbonylContact C-O 3.51Å; T63-R75 WeakPolarHBondContact CA-O 3.39Å; K64-R75 PolarHBondContact N-O 3.32Å; K64-R75 PolarHBondContact O-N 3.43Å; V66-R75 HydrophobicContact CB-CG 4.3Å; V66-R75 HydrophobicContact CG2-CB 3.79Å; V66-R75 HydrophobicContact CG2-CG 3.41Å; V66-R75 VanDerWaalsContact CG2-CG 3.41Å; R75-V77 HydrophobicContact CB-CG2 4.46Å; R75-V77 PolarHBondContact O-N 3.28Å |
| 76 | V | 89.9 | Confident | 87.1 | Confident | 99 Ų | 99 | 121.4 Ų | 121.4 | 60% | 0.6 | 62% | 0.619 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -82.7 | 114.6 | 174.8 | -176.9 | 0 | 0 | 0 | 0 | 109.1 | T61 | T61-V76 VanDerWaalsContact CB-CG1 3.49Å; T61-V76 HydrophobicContact CG2-CG1 3.83Å |
| 77 | V | 89.6 | Confident | 87.8 | Confident | 44 Ų | 44 | 122.3 Ų | 122.3 | 27% | 0.267 | 63% | 0.626 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.1 | 131.7 | -175.9 | -176.5 | 0 | 0 | 0 | 0 | 110.7 | T61 I62 K64 R75 | T61-V77 CarbonylContact C-O 3.59Å; T61-V77 WeakPolarHBondContact CA-O 3.47Å; I62-V77 PolarHBondContact N-O 2.98Å; I62-V77 PolarHBondContact O-N 3.23Å; K64-V77 HydrophobicContact CB-CG2 4.43Å; K64-V77 HydrophobicContact CD-CB 4.42Å; K64-V77 HydrophobicContact CD-CG2 4.15Å; K64-V77 HydrophobicContact CG-CG2 4.26Å; R75-V77 HydrophobicContact CB-CG2 4.46Å; R75-V77 PolarHBondContact O-N 3.28Å |
| 78 | K | 92 | Very high | 88.6 | Confident | 135 Ų | 135 | 125.9 Ų | 125.9 | 59% | 0.587 | 64% | 0.635 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -65.9 | 134.4 | 172.7 | -66.3 | -179.4 | -179.7 | 176.8 | 0 | 110.6 | T61 R80 | T61-K78 HydrophobicContact CG2-CG 4.18Å; K78-R80 PolarHBondContact O-N 3.19Å |
| 79 | M | 89.3 | Confident | 89.2 | Confident | 110 Ų | 110 | 131.5 Ų | 131.5 | 54% | 0.542 | 65% | 0.647 | S | S | . | * | S | Bend | trans | -67.4 | -34.3 | 178.2 | -74.1 | -168.8 | -63.5 | 0 | 0 | 113.6 | P59 S60 I62 | P59-M79 WeakPolarHBondContact O-CE 3.36Å; S60-M79 PolarHBondContact O-N 3.47Å; I62-M79 HydrophobicContact CD1-CG 3.45Å; I62-M79 VanDerWaalsContact CD1-CG 3.45Å; I62-M79 HydrophobicContact CD1-SD 3.64Å; I62-M79 HydrophobicContact CG1-CG 3.61Å; I62-M79 HydrophobicContact CG1-SD 3.92Å |
| 80 | R | 90.7 | Very high | 90.1 | Very high | 230 Ų | 230 | 129.9 Ų | 129.9 | 87% | 0.868 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -117.7 | 111 | 176.1 | -67.5 | -177 | 179 | 177.6 | -0.1 | 108.3 | K78 | K78-R80 PolarHBondContact O-N 3.19Š|
| 81 | K | 92.2 | Very high | 90.8 | Very high | 179 Ų | 179 | 126.6 Ų | 126.6 | 78% | 0.778 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 148.1 | 174.3 | -65.7 | -175.4 | 178.3 | -177 | 0 | 109.7 | ||
| 82 | M | 93.8 | Very high | 91.8 | Very high | 135 Ų | 135 | 127.6 Ų | 127.6 | 67% | 0.665 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 148 | 175.7 | -65.8 | 174.3 | 71.9 | 0 | 0 | 110.2 | ||
| 83 | P | 95.6 | Very high | 92.7 | Very high | 87 Ų | 87 | 135.7 Ų | 135.7 | 57% | 0.565 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 146.1 | 171.9 | -21.6 | 33.4 | 0 | 0 | 0 | 111.4 | ||
| 84 | R | 97.1 | Very high | 93.5 | Very high | 255 Ų | 255 | 143.3 Ų | 143.3 | 96% | 0.962 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -84.6 | -26.8 | 175.3 | -68.2 | -178.5 | -179.7 | 168.4 | -3 | 113 | ||
| 85 | Y | 96.4 | Very high | 93.8 | Very high | 181 Ų | 181 | 147 Ų | 147 | 71% | 0.71 | 70% | 0.7 | S | S | * | * | trans | -114.6 | 137.5 | -177.8 | 175 | -97.7 | 0 | 0 | 0 | 109.8 | ||||
| 86 | Y | 94.9 | Very high | 94.2 | Very high | 139 Ų | 139 | 150.4 Ų | 150.4 | 55% | 0.545 | 72% | 0.718 | S | S | . | * | trans | -119.7 | 136.6 | 172.4 | -67.7 | -92.4 | 0 | 0 | 0 | 108.6 | ||||
| 87 | P | 96.3 | Very high | 94.4 | Very high | 66 Ų | 66 | 150.8 Ų | 150.8 | 43% | 0.429 | 72% | 0.717 | S | S | . | * | trans | -68 | 153.9 | 171.2 | 32.3 | -34.9 | 0 | 0 | 0 | 110 | E89 D90 | P87-E89 VanDerWaalsContact C-N 3.26Å; P87-E89 PolarHBondContact O-N 3.42Å; P87-D90 WeakPolarHBondContact CG-OD1 3.36Å | ||
| 88 | T | 96.8 | Very high | 94.5 | Very high | 143 Ų | 143 | 157.5 Ų | 157.5 | 88% | 0.877 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -65 | -33 | 175.6 | -46.2 | 0 | 0 | 0 | 0 | 111.8 | ||
| 89 | E | 96.5 | Very high | 94.3 | Very high | 170 Ų | 170 | 154.3 Ų | 154.3 | 79% | 0.794 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -131 | 139 | 179.1 | -65.2 | -176.5 | 173.4 | 0 | 0 | 111.5 | P87 | P87-E89 VanDerWaalsContact C-N 3.26Å; P87-E89 PolarHBondContact O-N 3.42Å |
| 90 | D | 95.3 | Very high | 94.5 | Very high | 144 Ų | 144 | 157.1 Ų | 157.1 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | trans | -104.8 | 140 | 175.6 | -91.8 | -22.4 | 0 | 0 | 0 | 111.3 | P87 A92 | P87-D90 WeakPolarHBondContact CG-OD1 3.36Å; D90-A92 PolarHBondContact O-N 2.99Å | ||
| 91 | V | 95.7 | Very high | 94.7 | Very high | 143 Ų | 143 | 152.4 Ų | 152.4 | 87% | 0.867 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 123.3 | 172.5 | -177.8 | 0 | 0 | 0 | 0 | 109.8 | ||
| 92 | A | 96.2 | Very high | 95 | Very high | 90 Ų | 90 | 147.2 Ų | 147.2 | 74% | 0.744 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 142.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | D90 | D90-A92 PolarHBondContact O-N 2.99Š|
| 93 | R | 95.6 | Very high | 95.1 | Very high | 243 Ų | 243 | 146.7 Ų | 146.7 | 92% | 0.917 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 138.9 | -179.2 | -67.6 | -177.3 | -177.5 | 169.8 | 3.3 | 111 | ||
| 94 | K | 95.4 | Very high | 95.1 | Very high | 198 Ų | 198 | 147.2 Ų | 147.2 | 86% | 0.861 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 143.3 | 174.4 | -63.6 | -177.2 | -179.6 | -179.6 | 0 | 111.4 | ||
| 95 | L | 95.1 | Very high | 95 | Very high | 154 Ų | 154 | 140.9 Ų | 140.9 | 81% | 0.806 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 145 | 172.6 | -60.2 | 177.1 | 0 | 0 | 0 | 111.4 | N97 | L95-N97 PolarHBondContact O-N 2.64Š|
| 96 | K | 94.4 | Very high | 95 | Very high | 214 Ų | 214 | 136.5 Ų | 136.5 | 93% | 0.93 | 70% | 0.697 | S | S | * | * | trans | -72.8 | 115.3 | 178.4 | -69.1 | -179.1 | -177.3 | 172.9 | 0 | 109.8 | ||||
| 97 | N | 92.8 | Very high | 95.1 | Very high | 106 Ų | 106 | 138.5 Ų | 138.5 | 57% | 0.567 | 71% | 0.708 | S | S | * | * | trans | -101.9 | 137.1 | 173.6 | -70.7 | -51 | 0 | 0 | 0 | 110.4 | L95 K100 | L95-N97 PolarHBondContact O-N 2.64Å; N97-K100 HydrophobicContact CB-CD 4.09Å; N97-K100 PolarHBondContact ND2-NZ 3.07Å | ||
| 98 | H | 92.6 | Very high | 95.1 | Very high | 186 Ų | 186 | 138.3 Ų | 138.3 | 86% | 0.861 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -88.3 | 156.4 | 172 | 74.2 | -83 | 0 | 0 | 0 | 111 | K100 | H98-K100 VanDerWaalsContact C-N 3.3Å; H98-K100 PolarHBondContact O-N 2.91Å; H98-K100 VanDerWaalsContact O-N 3.15Å |
| 99 | G | 88.8 | Confident | 95.1 | Very high | 68 Ų | 68 | 136.8 Ų | 136.8 | 70% | 0.701 | 69% | 0.686 | S | S | * | * | S | Bend | trans | 81.5 | -17.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | K101 | G99-K101 PolarHBondContact O-N 3.22Å; G99-K101 VanDerWaalsContact O-N 3.12Å |
| 100 | K | 93.4 | Very high | 95.1 | Very high | 168 Ų | 168 | 131.5 Ų | 131.5 | 73% | 0.73 | 66% | 0.663 | S | S | * | * | trans | -74 | 102.9 | 175.7 | -64.2 | -176.2 | -177.5 | 173.7 | 0 | 110.5 | N97 H98 | N97-K100 HydrophobicContact CB-CD 4.09Å; N97-K100 PolarHBondContact ND2-NZ 3.07Å; H98-K100 VanDerWaalsContact C-N 3.3Å; H98-K100 PolarHBondContact O-N 2.91Å; H98-K100 VanDerWaalsContact O-N 3.15Å | ||
| 101 | K | 94.8 | Very high | 95.2 | Very high | 131 Ų | 131 | 129.7 Ų | 129.7 | 57% | 0.57 | 65% | 0.645 | S | S | * | * | trans | -98.5 | 146.7 | 177.7 | -66.1 | -176.3 | -177.5 | -177.4 | 0 | 111.3 | G99 Q105 H106 | G99-K101 PolarHBondContact O-N 3.22Å; G99-K101 VanDerWaalsContact O-N 3.12Å; K101-Q105 HydrophobicContact CB-CB 4.2Å; K101-Q105 HydrophobicContact CD-CB 4.35Å; K101-H106 PolarHBondContact O-NE2 2.72Å | ||
| 102 | P | 96.8 | Very high | 95.2 | Very high | 71 Ų | 71 | 127.6 Ų | 127.6 | 46% | 0.461 | 64% | 0.643 | S | S | . | * | trans | -64.4 | 155.9 | 171.4 | 29.4 | -35.5 | 0 | 0 | 0 | 110.6 | S104 Q105 H106 | P102-S104 PolarHBondContact O-N 2.97Å; P102-S104 VanDerWaalsContact O-N 3.07Å; P102-Q105 HydrophobicContact CG-CB 4.41Å; P102-Q105 HydrophobicContact CG-CG 4Å; P102-Q105 PolarHBondContact O-N 2.95Å; P102-H106 PolarHBondContact O-CD2 2.79Å | ||
| 103 | F | 96.4 | Very high | 95.3 | Very high | 124 Ų | 124 | 126.8 Ų | 126.8 | 54% | 0.544 | 63% | 0.629 | S | S | . | * | G | 310 helix | trans | -52.9 | -35.1 | -177.4 | 177 | -102.7 | 0 | 0 | 0 | 113.3 | Q105 H106 R108 S140 | F103-Q105 PolarHBondContact O-N 2.89Å; F103-H106 AromaticContact CD2-ND1 3.85Å; F103-H106 WeakPolarHBondContact O-CB 3.27Å; F103-H106 PolarHBondContact O-N 2.73Å; F103-R108 PolarHBondContact O-NH2 3.44Å; F103-S140 WeakPolarHBondContact CZ-O 3.36Å |
| 104 | S | 95.6 | Very high | 95.4 | Very high | 97 Ų | 97 | 115.5 Ų | 115.5 | 68% | 0.678 | 59% | 0.586 | S | S | * | * | G | 310 helix | trans | -60.6 | -24.2 | 178.6 | 53.1 | 0 | 0 | 0 | 0 | 114.2 | P102 | P102-S104 PolarHBondContact O-N 2.97Å; P102-S104 VanDerWaalsContact O-N 3.07Å |
| 105 | Q | 96.1 | Very high | 95.5 | Very high | 122 Ų | 122 | 108.2 Ų | 108.2 | 57% | 0.57 | 56% | 0.559 | S | S | * | * | G | 310 helix | trans | -101.2 | 2 | -178.5 | -65.3 | 179.2 | 8.2 | 0 | 0 | 113.5 | K101 P102 F103 | K101-Q105 HydrophobicContact CB-CB 4.2Å; K101-Q105 HydrophobicContact CD-CB 4.35Å; P102-Q105 HydrophobicContact CG-CB 4.41Å; P102-Q105 HydrophobicContact CG-CG 4Å; P102-Q105 PolarHBondContact O-N 2.95Å; F103-Q105 PolarHBondContact O-N 2.89Å |
| 106 | H | 96.7 | Very high | 95.6 | Very high | 90 Ų | 90 | 105 Ų | 105 | 42% | 0.417 | 55% | 0.547 | S | S | . | . | S | Bend | trans | -72.8 | 142.2 | 178.3 | -69.7 | 179.9 | 0 | 0 | 0 | 110.6 | K101 P102 F103 | K101-H106 PolarHBondContact O-NE2 2.72Å; P102-H106 PolarHBondContact O-CD2 2.79Å; F103-H106 AromaticContact CD2-ND1 3.85Å; F103-H106 WeakPolarHBondContact O-CB 3.27Å; F103-H106 PolarHBondContact O-N 2.73Å |
| 107 | K | 95.4 | Very high | 95.7 | Very high | 180 Ų | 180 | 94.8 Ų | 94.8 | 78% | 0.783 | 50% | 0.502 | S | S | * | . | P | Polyproline II helix | trans | -67.3 | 135.6 | 172.4 | -172.7 | 177.9 | 177 | -177.7 | 0 | 109.5 | ||
| 108 | R | 96.8 | Very high | 95.9 | Very high | 62 Ų | 62 | 89.7 Ų | 89.7 | 23% | 0.234 | 48% | 0.475 | C | S | . | . | P | Polyproline II helix | trans | -94 | 129.2 | 171.2 | -53.7 | -51.8 | 176 | -143.5 | -7.7 | 109 | F103 S139 S140 | F103-R108 PolarHBondContact O-NH2 3.44Å; R108-S139 PolarHBondContact NE-O 3.46Å; R108-S139 VanDerWaalsContact NE-O 3.15Å; R108-S140 VanDerWaalsContact NE-C 3.27Å; R108-S140 PolarHBondContact NE-O 2.9Å; R108-S140 VanDerWaalsContact NE-O 3.11Å |
| 109 | N | 96.1 | Very high | 96.2 | Very high | 111 Ų | 111 | 80.9 Ų | 80.9 | 59% | 0.594 | 43% | 0.434 | S | S | * | . | trans | -114.4 | 144.5 | 174.2 | -61.1 | -28.3 | 0 | 0 | 0 | 107.8 | Q137 Q161 | N109-Q137 PolarHBondContact O-NE2 2.93Å; N109-Q161 PolarHBondContact O-OE1 3.16Å | ||
| 110 | L | 97.4 | Very high | 96.7 | Very high | 59 Ų | 59 | 77.6 Ų | 77.6 | 31% | 0.309 | 40% | 0.401 | S | S | . | . | trans | -119.1 | 141.3 | 174.9 | -171.6 | 60.9 | 0 | 0 | 0 | 108.2 | I114 F134 L143 | L110-I114 HydrophobicContact CD1-CB 4.02Å; L110-I114 HydrophobicContact CD1-CD1 4.24Å; L110-I114 HydrophobicContact CD1-CG2 3.94Å; L110-I114 HydrophobicContact CD2-CB 4.47Å; L110-I114 HydrophobicContact CD2-CG2 4.31Å; L110-I114 WeakPolarHBondContact CD2-O 3.27Å; L110-I114 HydrophobicContact CG-CB 4.15Å; L110-I114 HydrophobicContact CG-CG2 4.34Å; L110-F134 HydrophobicContact CD2-CE1 4.18Å; L110-F134 HydrophobicContact CD2-CZ 4.08Å; L110-L143 HydrophobicContact CD1-CD2 3.47Å; L110-L143 VanDerWaalsContact CD1-CD2 3.47Å | ||
| 111 | R | 97.2 | Very high | 96.9 | Very high | 106 Ų | 106 | 69.7 Ų | 69.7 | 40% | 0.4 | 37% | 0.367 | S | S | . | . | trans | -63.4 | 139.3 | 173.9 | -86.2 | 162 | 74.8 | -162.5 | 4.9 | 108.7 | T113 I114 V164 | R111-T113 PolarHBondContact O-N 3.35Å; R111-I114 HydrophobicContact CB-CD1 4.18Å; R111-I114 HydrophobicContact CB-CG1 4.24Å; R111-I114 PolarHBondContact O-N 2.99Å; R111-V164 PolarHBondContact NH1-O 2.98Å | ||
| 112 | A | 96.6 | Very high | 97 | Very high | 99 Ų | 99 | 63.8 Ų | 63.8 | 82% | 0.818 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -30.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | I114 | A112-I114 PolarHBondContact O-N 3.28Š|
| 113 | T | 97.2 | Very high | 97.1 | Very high | 74 Ų | 74 | 64.1 Ų | 64.1 | 45% | 0.454 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -18.9 | 176.6 | 57.4 | 0 | 0 | 0 | 0 | 113.5 | R111 T115 | R111-T113 PolarHBondContact O-N 3.35Å; T113-T115 PolarHBondContact O-N 2.91Å |
| 114 | I | 97.6 | Very high | 97.1 | Very high | 5 Ų | 5 | 61.5 Ų | 61.5 | 3% | 0.026 | 33% | 0.333 | C | S | . | . | trans | -97.5 | 95.9 | -178.7 | -56.6 | 175.6 | 0 | 0 | 0 | 108.6 | L110 R111 A112 L120 F134 L143 Q161 A166 | L110-I114 HydrophobicContact CD1-CB 4.02Å; L110-I114 HydrophobicContact CD1-CD1 4.24Å; L110-I114 HydrophobicContact CD1-CG2 3.94Å; L110-I114 HydrophobicContact CD2-CB 4.47Å; L110-I114 HydrophobicContact CD2-CG2 4.31Å; L110-I114 WeakPolarHBondContact CD2-O 3.27Å; L110-I114 HydrophobicContact CG-CB 4.15Å; L110-I114 HydrophobicContact CG-CG2 4.34Å; R111-I114 HydrophobicContact CB-CD1 4.18Å; R111-I114 HydrophobicContact CB-CG1 4.24Å; R111-I114 PolarHBondContact O-N 2.99Å; A112-I114 PolarHBondContact O-N 3.28Å; I114-L120 HydrophobicContact CG1-CD2 4.29Å; I114-L120 HydrophobicContact CG2-CD2 4.46Å; I114-F134 HydrophobicContact CG2-CD1 3.56Å; I114-F134 HydrophobicContact CG2-CD2 4.23Å; I114-F134 HydrophobicContact CG2-CE1 3.64Å; I114-F134 HydrophobicContact CG2-CE2 4.3Å; I114-F134 HydrophobicContact CG2-CG 3.86Å; I114-F134 HydrophobicContact CG2-CZ 4.01Å; I114-L143 HydrophobicContact CD1-CD1 4.05Å; I114-L143 HydrophobicContact CG2-CD1 4.48Å; I114-Q161 HydrophobicContact CD1-CG 3.73Å; I114-A166 HydrophobicContact CG1-CB 3.74Å | ||
| 115 | T | 97.1 | Very high | 97.1 | Very high | 46 Ų | 46 | 59 Ų | 59 | 28% | 0.282 | 32% | 0.322 | S | S | . | . | trans | -108.6 | 151.4 | 171.6 | 60.8 | 0 | 0 | 0 | 0 | 110.3 | T113 G117 T118 F134 K170 | T113-T115 PolarHBondContact O-N 2.91Å; T115-G117 PolarHBondContact O-N 3.08Å; T115-T118 PolarHBondContact N-OG1 3.11Å; T115-T118 VanDerWaalsContact O-CB 3.24Å; T115-T118 WeakPolarHBondContact O-CB 3.4Å; T115-T118 PolarHBondContact O-N 3.43Å; T115-T118 PolarHBondContact O-OG1 3.36Å; T115-T118 PolarHBondContact OG1-OG1 2.89Å; T115-F134 WeakPolarHBondContact O-CD1 3.2Å; T115-K170 WeakPolarHBondContact OG1-CE 3.47Å; T115-K170 PolarHBondContact OG1-NZ 3.02Å | ||
| 116 | P | 97.2 | Very high | 97 | Very high | 85 Ų | 85 | 64 Ų | 64 | 55% | 0.552 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.4 | 128.3 | 174.9 | -27.8 | 35.9 | 0 | 0 | 0 | 111.3 | ||
| 117 | G | 97 | Very high | 97.1 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.3 | -2.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | T115 F134 V171 | T115-G117 PolarHBondContact O-N 3.08Å; G117-F134 WeakPolarHBondContact CA-O 3.45Å; G117-F134 PolarHBondContact N-O 2.93Å; G117-V171 VanDerWaalsContact CA-O 3.3Å; G117-V171 WeakPolarHBondContact CA-O 3.46Å; G117-V171 PolarHBondContact O-N 2.84Å |
| 118 | T | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 137.4 | 171.3 | -53.2 | 0 | 0 | 0 | 0 | 110.4 | T115 L120 F134 A166 T167 | T115-T118 PolarHBondContact N-OG1 3.11Å; T115-T118 VanDerWaalsContact O-CB 3.24Å; T115-T118 WeakPolarHBondContact O-CB 3.4Å; T115-T118 PolarHBondContact O-N 3.43Å; T115-T118 PolarHBondContact O-OG1 3.36Å; T115-T118 PolarHBondContact OG1-OG1 2.89Å; T118-L120 HydrophobicContact CG2-CD2 4.36Å; T118-F134 WeakPolarHBondContact O-CB 3.46Å; T118-F134 PolarHBondContact O-N 3.23Å; T118-A166 HydrophobicContact CG2-CB 4.38Å; T118-T167 VanDerWaalsContact CG2-O 3.24Å; T118-T167 WeakPolarHBondContact CG2-O 3.25Å |
| 119 | V | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 133.8 | 171.6 | -176.8 | 0 | 0 | 0 | 0 | 109.3 | R131 V132 T167 T169 Y240 L241 | V119-R131 HydrophobicContact CG1-CB 3.99Å; V119-V132 CarbonylContact C-O 3.46Å; V119-V132 WeakPolarHBondContact CA-O 3.42Å; V119-T167 WeakPolarHBondContact CB-OG1 3.45Å; V119-T167 PolarHBondContact O-N 3.45Å; V119-T167 PolarHBondContact O-OG1 3.41Å; V119-T169 HydrophobicContact CG2-CG2 4.19Å; V119-T169 PolarHBondContact N-O 3.45Å; V119-Y240 HydrophobicContact CG1-CE1 4.01Å; V119-L241 HydrophobicContact CG1-CD2 3.84Å; V119-L241 HydrophobicContact CG2-CD2 4.24Å |
| 120 | L | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 136.3 | -173 | -67.9 | -174.4 | 0 | 0 | 0 | 108.4 | I114 T118 R131 V132 F134 L143 V145 V164 I165 A166 | I114-L120 HydrophobicContact CG1-CD2 4.29Å; I114-L120 HydrophobicContact CG2-CD2 4.46Å; T118-L120 HydrophobicContact CG2-CD2 4.36Å; L120-R131 CarbonylContact O-C 3.35Å; L120-R131 WeakPolarHBondContact O-CA 3.1Å; L120-V132 HydrophobicContact CB-CG2 4.01Å; L120-V132 PolarHBondContact N-O 3.25Å; L120-V132 VanDerWaalsContact O-CG2 3.3Å; L120-V132 WeakPolarHBondContact O-CG2 3.47Å; L120-V132 PolarHBondContact O-N 3.02Å; L120-F134 HydrophobicContact CD1-CB 3.6Å; L120-F134 HydrophobicContact CD1-CD2 4.1Å; L120-F134 HydrophobicContact CD1-CG 4.12Å; L120-F134 HydrophobicContact CG-CB 4Å; L120-L143 HydrophobicContact CD1-CD1 3.92Å; L120-V145 HydrophobicContact CD1-CG2 3.91Å; L120-V164 HydrophobicContact CB-CG1 3.48Å; L120-V164 VanDerWaalsContact CB-CG1 3.48Å; L120-V164 HydrophobicContact CD1-CG1 3.93Å; L120-V164 HydrophobicContact CD2-CG1 3.7Å; L120-V164 HydrophobicContact CG-CG1 3.85Å; L120-I165 CarbonylContact C-O 3.56Å; L120-I165 WeakPolarHBondContact CA-O 3.39Å; L120-A166 HydrophobicContact CD2-CB 3.93Å |
| 121 | V | 98.2 | Very high | 97.3 | Very high | 2 Ų | 2 | 54.9 Ų | 54.9 | 1% | 0.012 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 118.8 | 169.4 | -175.9 | 0 | 0 | 0 | 0 | 108.6 | L123 R131 V164 I165 T167 F245 | V121-L123 HydrophobicContact CG1-CD2 4.49Å; V121-R131 HydrophobicContact CG2-CG 4.07Å; V121-V164 VanDerWaalsContact O-CA 3.31Å; V121-V164 WeakPolarHBondContact O-CA 3.42Å; V121-I165 HydrophobicContact CB-CB 4.19Å; V121-I165 PolarHBondContact N-O 3.16Å; V121-I165 PolarHBondContact O-N 3.5Å; V121-T167 HydrophobicContact CG2-CG2 3.96Å; V121-F245 HydrophobicContact CG1-CB 3.65Å; V121-F245 HydrophobicContact CG1-CD1 3.86Å; V121-F245 HydrophobicContact CG1-CG 3.95Å; V121-F245 HydrophobicContact CG2-CB 4.46Å |
| 122 | L | 98.2 | Very high | 97.4 | Very high | 6 Ų | 6 | 49.9 Ų | 49.9 | 3% | 0.031 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 125.9 | 175.2 | -63.3 | -179.2 | 0 | 0 | 0 | 110 | H127 R128 G129 K130 V132 V154 A159 V164 | L122-H127 WeakPolarHBondContact CB-O 3.37Å; L122-H127 HydrophobicContact CD1-CB 3.75Å; L122-R128 CarbonylContact O-C 3.53Å; L122-R128 WeakPolarHBondContact O-CA 3.24Å; L122-G129 PolarHBondContact O-N 2.89Å; L122-K130 PolarHBondContact N-O 3.06Å; L122-V132 HydrophobicContact CD1-CG1 4.15Å; L122-V132 HydrophobicContact CD1-CG2 4.08Å; L122-V132 HydrophobicContact CD2-CG2 3.9Å; L122-V132 HydrophobicContact CG-CG1 4.46Å; L122-V132 HydrophobicContact CG-CG2 3.65Å; L122-V154 HydrophobicContact CD1-CG1 4.31Å; L122-A159 HydrophobicContact CD2-CB 3.85Å; L122-V164 HydrophobicContact CD2-CG2 3.89Å |
| 123 | L | 97.8 | Very high | 97.4 | Very high | 79 Ų | 79 | 45.1 Ų | 45.1 | 41% | 0.414 | 23% | 0.228 | S | C | . | . | trans | -94 | -26.3 | 178.7 | -61.3 | 179.3 | 0 | 0 | 0 | 113.1 | V121 F163 I165 | V121-L123 HydrophobicContact CG1-CD2 4.49Å; L123-F163 WeakPolarHBondContact CB-O 3.35Å; L123-F163 PolarHBondContact N-O 3.26Å; L123-I165 HydrophobicContact CD1-CD1 4.33Å; L123-I165 HydrophobicContact CD1-CG1 3.86Å; L123-I165 HydrophobicContact CD2-CD1 3.82Å; L123-I165 HydrophobicContact CD2-CG1 3.96Å; L123-I165 HydrophobicContact CG-CD1 4.49Å; L123-I165 HydrophobicContact CG-CG1 4.12Å | ||
| 124 | T | 96.4 | Very high | 97.5 | Very high | 68 Ų | 68 | 41.8 Ų | 41.8 | 42% | 0.417 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -123.7 | 156 | -171.3 | 66.9 | 0 | 0 | 0 | 0 | 113.6 | F163 | T124-F163 HydrophobicContact CG2-CB 3.82Å; T124-F163 HydrophobicContact CG2-CD1 3.85Å; T124-F163 HydrophobicContact CG2-CG 3.86Å; T124-F163 WeakPolarHBondContact OG1-CB 3.48Å |
| 125 | G | 94.8 | Very high | 97.4 | Very high | 44 Ų | 44 | 41.7 Ų | 41.7 | 45% | 0.454 | 21% | 0.207 | S | C | . | . | S | Bend | trans | 83.5 | -168.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | H127 R128 | G125-H127 PolarHBondContact O-N 3.31Å; G125-H127 VanDerWaalsContact O-N 3.14Å; G125-R128 PolarHBondContact O-N 3.15Å |
| 126 | R | 95.8 | Very high | 97.4 | Very high | 228 Ų | 228 | 42.2 Ų | 42.2 | 86% | 0.86 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60 | -25.4 | -176 | -177.4 | 173.4 | 176 | 81.1 | -0.5 | 113.9 | ||
| 127 | H | 97.3 | Very high | 97.4 | Very high | 24 Ų | 24 | 41 Ų | 41 | 11% | 0.111 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104 | 25.7 | -176.9 | -57.6 | -58.3 | 0 | 0 | 0 | 112.7 | L122 G125 K130 R153 V154 | L122-H127 WeakPolarHBondContact CB-O 3.37Å; L122-H127 HydrophobicContact CD1-CB 3.75Å; G125-H127 PolarHBondContact O-N 3.31Å; G125-H127 VanDerWaalsContact O-N 3.14Å; H127-K130 HydrophobicContact CB-CD 4.09Å; H127-K130 HydrophobicContact CB-CG 4.43Å; H127-K130 WeakPolarHBondContact O-CB 3.24Å; H127-K130 PolarHBondContact O-N 3.27Å; H127-K130 VanDerWaalsContact O-N 3.16Å; H127-R153 PolarHBondContact CE1-O 3.39Å; H127-V154 HydrophobicContact CB-CG1 4.43Å; H127-V154 HydrophobicContact CB-CG2 3.93Å |
| 128 | R | 97 | Very high | 97.4 | Very high | 189 Ų | 189 | 41.5 Ų | 41.5 | 71% | 0.713 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | 143.6 | 175 | 66.7 | -175.6 | -176.4 | -144.9 | 0.9 | 111.7 | L122 G125 K130 | L122-R128 CarbonylContact O-C 3.53Å; L122-R128 WeakPolarHBondContact O-CA 3.24Å; G125-R128 PolarHBondContact O-N 3.15Å; R128-K130 PolarHBondContact O-N 2.84Å; R128-K130 VanDerWaalsContact O-N 3.15Å |
| 129 | G | 97.1 | Very high | 97.3 | Very high | 10 Ų | 10 | 46.2 Ų | 46.2 | 10% | 0.103 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.6 | -16 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | L122 F245 | L122-G129 PolarHBondContact O-N 2.89Å; G129-F245 WeakPolarHBondContact CA-O 3.44Å; G129-F245 WeakPolarHBondContact O-CB 2.91Å; G129-F245 PolarHBondContact O-N 3.44Å |
| 130 | K | 98.1 | Very high | 97.2 | Very high | 51 Ų | 51 | 47.4 Ų | 47.4 | 22% | 0.222 | 24% | 0.236 | C | C | . | . | B | Isolated β-bridge | trans | -73.4 | 138.9 | -176.9 | -61.8 | -166.4 | 174 | -167.8 | 0 | 111.6 | L122 H127 R128 N152 V154 | L122-K130 PolarHBondContact N-O 3.06Å; H127-K130 HydrophobicContact CB-CD 4.09Å; H127-K130 HydrophobicContact CB-CG 4.43Å; H127-K130 WeakPolarHBondContact O-CB 3.24Å; H127-K130 PolarHBondContact O-N 3.27Å; H127-K130 VanDerWaalsContact O-N 3.16Å; R128-K130 PolarHBondContact O-N 2.84Å; R128-K130 VanDerWaalsContact O-N 3.15Å; K130-N152 WeakPolarHBondContact CD-O 3.35Å; K130-N152 PolarHBondContact NZ-O 3.36Å; K130-V154 HydrophobicContact CB-CG2 4.02Å; K130-V154 HydrophobicContact CD-CG2 3.38Å; K130-V154 HydrophobicContact CG-CG2 4.32Å |
| 131 | R | 98.3 | Very high | 97.1 | Very high | 37 Ų | 37 | 48.1 Ų | 48.1 | 14% | 0.14 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 126.2 | 175.1 | -70.6 | 160.1 | -179 | 160.5 | 3.7 | 110 | V119 L120 V121 N152 Y240 L241 S243 | V119-R131 HydrophobicContact CG1-CB 3.99Å; L120-R131 CarbonylContact O-C 3.35Å; L120-R131 WeakPolarHBondContact O-CA 3.1Å; V121-R131 HydrophobicContact CG2-CG 4.07Å; R131-N152 PolarHBondContact O-ND2 3.5Å; R131-Y240 WeakPolarHBondContact CD-O 3.24Å; R131-Y240 HydrophobicContact CG-CE1 4.43Å; R131-Y240 PolarHBondContact NH1-O 3.02Å; R131-L241 HydrophobicContact CB-CD2 4.11Å; R131-S243 PolarHBondContact NH1-OG 2.81Å |
| 132 | V | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 154.8 | -168.8 | -66.9 | 0 | 0 | 0 | 0 | 110.1 | V119 L120 L122 V145 V154 | V119-V132 CarbonylContact C-O 3.46Å; V119-V132 WeakPolarHBondContact CA-O 3.42Å; L120-V132 HydrophobicContact CB-CG2 4.01Å; L120-V132 PolarHBondContact N-O 3.25Å; L120-V132 VanDerWaalsContact O-CG2 3.3Å; L120-V132 WeakPolarHBondContact O-CG2 3.47Å; L120-V132 PolarHBondContact O-N 3.02Å; L122-V132 HydrophobicContact CD1-CG1 4.15Å; L122-V132 HydrophobicContact CD1-CG2 4.08Å; L122-V132 HydrophobicContact CD2-CG2 3.9Å; L122-V132 HydrophobicContact CG-CG1 4.46Å; L122-V132 HydrophobicContact CG-CG2 3.65Å; V132-V145 HydrophobicContact CB-CG1 3.42Å; V132-V145 VanDerWaalsContact CB-CG1 3.42Å; V132-V145 HydrophobicContact CG1-CG1 4.37Å; V132-V145 HydrophobicContact CG2-CG1 3.16Å; V132-V154 HydrophobicContact CG1-CB 3.93Å; V132-V154 HydrophobicContact CG1-CG1 3.91Å; V132-V154 HydrophobicContact CG1-CG2 3.94Å |
| 133 | V | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 130.4 | -174.5 | -176.4 | 0 | 0 | 0 | 0 | 110.2 | V145 T146 I173 L227 L241 | V133-V145 WeakPolarHBondContact O-CA 3.34Å; V133-T146 PolarHBondContact N-O 2.76Å; V133-T146 PolarHBondContact O-N 3.33Å; V133-I173 HydrophobicContact CG1-CD1 3.46Å; V133-I173 VanDerWaalsContact CG1-CD1 3.46Å; V133-L227 HydrophobicContact CB-CD2 4.24Å; V133-L227 HydrophobicContact CG1-CD1 4.44Å; V133-L227 HydrophobicContact CG1-CD2 4.39Å; V133-L227 HydrophobicContact CG2-CD2 4.4Å; V133-L241 HydrophobicContact CG2-CD1 4.31Å; V133-L241 HydrophobicContact CG2-CD2 4.34Å |
| 134 | F | 98.3 | Very high | 97.1 | Very high | 3 Ų | 3 | 45.8 Ų | 45.8 | 1% | 0.013 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 132.9 | 174.1 | 179.7 | -121.5 | 0 | 0 | 0 | 111.6 | L110 I114 T115 G117 T118 L120 K136 Q137 L143 V145 | L110-F134 HydrophobicContact CD2-CE1 4.18Å; L110-F134 HydrophobicContact CD2-CZ 4.08Å; I114-F134 HydrophobicContact CG2-CD1 3.56Å; I114-F134 HydrophobicContact CG2-CD2 4.23Å; I114-F134 HydrophobicContact CG2-CE1 3.64Å; I114-F134 HydrophobicContact CG2-CE2 4.3Å; I114-F134 HydrophobicContact CG2-CG 3.86Å; I114-F134 HydrophobicContact CG2-CZ 4.01Å; T115-F134 WeakPolarHBondContact O-CD1 3.2Å; G117-F134 WeakPolarHBondContact CA-O 3.45Å; G117-F134 PolarHBondContact N-O 2.93Å; T118-F134 WeakPolarHBondContact O-CB 3.46Å; T118-F134 PolarHBondContact O-N 3.23Å; L120-F134 HydrophobicContact CD1-CB 3.6Å; L120-F134 HydrophobicContact CD1-CD2 4.1Å; L120-F134 HydrophobicContact CD1-CG 4.12Å; L120-F134 HydrophobicContact CG-CB 4Å; F134-K136 VanDerWaalsContact CE2-O 3.26Å; F134-K136 WeakPolarHBondContact CE2-O 3.41Å; F134-Q137 HydrophobicContact CZ-CB 4.37Å; F134-L143 HydrophobicContact CD2-CB 3.9Å; F134-L143 HydrophobicContact CD2-CD1 4.45Å; F134-L143 HydrophobicContact CD2-CD2 4.29Å; F134-L143 HydrophobicContact CD2-CG 4.42Å; F134-L143 HydrophobicContact CE2-CB 3.7Å; F134-L143 HydrophobicContact CE2-CD1 4.48Å; F134-L143 HydrophobicContact CE2-CD2 3.53Å; F134-L143 HydrophobicContact CE2-CG 4.07Å; F134-L143 HydrophobicContact CZ-CD2 4.02Å; F134-V145 HydrophobicContact CD2-CG2 4.36Å |
| 135 | L | 96.9 | Very high | 97.1 | Very high | 3 Ų | 3 | 42.7 Ų | 42.7 | 2% | 0.016 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | -63.2 | -180 | -54.5 | 178.6 | 0 | 0 | 0 | 111.8 | L144 T146 L156 I173 M176 I178 V223 | L135-L144 HydrophobicContact CB-CG 4.4Å; L135-L144 HydrophobicContact CD1-CD2 4.31Å; L135-L144 HydrophobicContact CD1-CG 4.19Å; L135-L144 PolarHBondContact N-O 2.77Å; L135-T146 HydrophobicContact CD1-CG2 3.79Å; L135-T146 HydrophobicContact CD2-CG2 3.75Å; L135-T146 HydrophobicContact CG-CG2 4Å; L135-L156 HydrophobicContact CD1-CD2 3.54Å; L135-I173 HydrophobicContact CD2-CD1 4.21Å; L135-M176 HydrophobicContact CD2-CE 3.55Å; L135-I178 HydrophobicContact CB-CD1 3.85Å; L135-V223 HydrophobicContact CD1-CG1 4.13Å |
| 136 | K | 96.1 | Very high | 97.3 | Very high | 58 Ų | 58 | 40.6 Ų | 40.6 | 25% | 0.252 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 159.3 | -179.7 | 63 | 172 | -176.6 | 170 | 0 | 111.6 | F134 L144 I178 L182 | F134-K136 VanDerWaalsContact CE2-O 3.26Å; F134-K136 WeakPolarHBondContact CE2-O 3.41Å; K136-L144 HydrophobicContact CD-CD2 4.42Å; K136-L144 HydrophobicContact CG-CB 4.09Å; K136-L144 HydrophobicContact CG-CD2 3.98Å; K136-L144 WeakPolarHBondContact O-CB 3.48Å; K136-L144 PolarHBondContact O-N 2.84Å; K136-I178 HydrophobicContact CB-CD1 4.24Å; K136-I178 HydrophobicContact CD-CD1 4.45Å; K136-I178 HydrophobicContact CD-CG2 4.01Å; K136-I178 HydrophobicContact CG-CD1 4.28Å; K136-L182 WeakPolarHBondContact CE-O 3.31Å; K136-L182 PolarHBondContact NZ-O 2.91Å |
| 137 | Q | 97.1 | Very high | 97.3 | Very high | 60 Ų | 60 | 29.7 Ų | 29.7 | 28% | 0.28 | 15% | 0.149 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 134.8 | 167.5 | -168.5 | 175.7 | 31.4 | 0 | 0 | 109.9 | N109 F134 G141 | N109-Q137 PolarHBondContact O-NE2 2.93Å; F134-Q137 HydrophobicContact CZ-CB 4.37Å; Q137-G141 PolarHBondContact NE2-O 3Å |
| 138 | L | 97.2 | Very high | 97.2 | Very high | 9 Ų | 9 | 28.6 Ų | 28.6 | 5% | 0.047 | 14% | 0.144 | C | C | . | . | trans | -85.2 | 166.7 | 174.3 | -59.7 | 179.4 | 0 | 0 | 0 | 111.3 | S140 G141 L142 L144 R158 D184 F187 | L138-S140 PolarHBondContact O-N 2.77Å; L138-G141 WeakPolarHBondContact O-CA 3.47Å; L138-G141 PolarHBondContact O-N 2.73Å; L138-L142 PolarHBondContact N-O 3.01Å; L138-L144 HydrophobicContact CD2-CB 4.11Å; L138-L144 HydrophobicContact CG-CB 4.16Å; L138-R158 VanDerWaalsContact CD1-CD 3.41Å; L138-R158 HydrophobicContact CD1-CG 3.62Å; L138-D184 WeakPolarHBondContact CB-OD2 3.03Å; L138-F187 HydrophobicContact CD1-CD2 4.3Å | ||
| 139 | S | 95.3 | Very high | 97.2 | Very high | 100 Ų | 100 | 22.7 Ų | 22.7 | 70% | 0.699 | 13% | 0.126 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -29.8 | -179.3 | 62.2 | 0 | 0 | 0 | 0 | 114.1 | R108 G141 D184 | R108-S139 PolarHBondContact NE-O 3.46Å; R108-S139 VanDerWaalsContact NE-O 3.15Å; S139-G141 PolarHBondContact O-N 3.09Å; S139-D184 PolarHBondContact N-OD2 3.4Å; S139-D184 PolarHBondContact OG-OD2 3.05Å |
| 140 | S | 95.8 | Very high | 97.1 | Very high | 25 Ų | 25 | 25.5 Ų | 25.5 | 18% | 0.175 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -12.1 | 173.6 | 63.9 | 0 | 0 | 0 | 0 | 113.9 | F103 R108 L138 L142 D184 | F103-S140 WeakPolarHBondContact CZ-O 3.36Å; R108-S140 VanDerWaalsContact NE-C 3.27Å; R108-S140 PolarHBondContact NE-O 2.9Å; R108-S140 VanDerWaalsContact NE-O 3.11Å; L138-S140 PolarHBondContact O-N 2.77Å; S140-L142 VanDerWaalsContact C-N 3.32Å; S140-L142 WeakPolarHBondContact OG-CB 3.47Å; S140-L142 WeakPolarHBondContact OG-CG 3.38Å; S140-L142 PolarHBondContact OG-N 3.15Å; S140-D184 VanDerWaalsContact CB-OD1 3.27Å; S140-D184 WeakPolarHBondContact CB-OD1 3.39Å; S140-D184 WeakPolarHBondContact CB-OD2 3.37Å; S140-D184 PolarHBondContact N-OD2 3.19Å; S140-D184 PolarHBondContact OG-OD1 3.41Å; S140-D184 PolarHBondContact OG-OD2 2.91Å |
| 141 | G | 96.7 | Very high | 97 | Very high | 14 Ų | 14 | 24.7 Ų | 24.7 | 14% | 0.144 | 15% | 0.146 | C | C | . | . | S | Bend | trans | 89 | -6.5 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q137 L138 S139 | Q137-G141 PolarHBondContact NE2-O 3Å; L138-G141 WeakPolarHBondContact O-CA 3.47Å; L138-G141 PolarHBondContact O-N 2.73Å; S139-G141 PolarHBondContact O-N 3.09Å |
| 142 | L | 97.9 | Very high | 96.8 | Very high | 39 Ų | 39 | 23.2 Ų | 23.2 | 20% | 0.204 | 14% | 0.141 | C | C | . | . | P | Polyproline II helix | trans | -68.5 | 149.6 | 173.5 | -64.4 | 174.4 | 0 | 0 | 0 | 110.9 | L138 S140 R158 H160 | L138-L142 PolarHBondContact N-O 3.01Å; S140-L142 VanDerWaalsContact C-N 3.32Å; S140-L142 WeakPolarHBondContact OG-CB 3.47Å; S140-L142 WeakPolarHBondContact OG-CG 3.38Å; S140-L142 PolarHBondContact OG-N 3.15Å; L142-R158 HydrophobicContact CB-CB 4.34Å; L142-R158 HydrophobicContact CD1-CB 4.17Å; L142-H160 HydrophobicContact CD2-CB 4.08Å |
| 143 | L | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 128 | 177.2 | -52.1 | -176.3 | 0 | 0 | 0 | 109.1 | L110 I114 L120 F134 V145 R158 A159 Q161 | L110-L143 HydrophobicContact CD1-CD2 3.47Å; L110-L143 VanDerWaalsContact CD1-CD2 3.47Å; I114-L143 HydrophobicContact CD1-CD1 4.05Å; I114-L143 HydrophobicContact CG2-CD1 4.48Å; L120-L143 HydrophobicContact CD1-CD1 3.92Å; F134-L143 HydrophobicContact CD2-CB 3.9Å; F134-L143 HydrophobicContact CD2-CD1 4.45Å; F134-L143 HydrophobicContact CD2-CD2 4.29Å; F134-L143 HydrophobicContact CD2-CG 4.42Å; F134-L143 HydrophobicContact CE2-CB 3.7Å; F134-L143 HydrophobicContact CE2-CD1 4.48Å; F134-L143 HydrophobicContact CE2-CD2 3.53Å; F134-L143 HydrophobicContact CE2-CG 4.07Å; F134-L143 HydrophobicContact CZ-CD2 4.02Å; L143-V145 HydrophobicContact CB-CG2 3.84Å; L143-R158 CarbonylContact O-C 3.5Å; L143-R158 VanDerWaalsContact O-CA 3.3Å; L143-R158 WeakPolarHBondContact O-CA 3.2Å; L143-A159 PolarHBondContact N-O 3.06Å; L143-A159 PolarHBondContact O-N 3.36Å; L143-Q161 HydrophobicContact CD1-CB 4.17Å; L143-Q161 HydrophobicContact CD2-CB 4.4Å; L143-Q161 HydrophobicContact CG-CB 4.28Å |
| 144 | L | 97.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 123 | 164.1 | -179.6 | 62.3 | 0 | 0 | 0 | 108.4 | L135 K136 L138 L156 I178 L182 F187 | L135-L144 HydrophobicContact CB-CG 4.4Å; L135-L144 HydrophobicContact CD1-CD2 4.31Å; L135-L144 HydrophobicContact CD1-CG 4.19Å; L135-L144 PolarHBondContact N-O 2.77Å; K136-L144 HydrophobicContact CD-CD2 4.42Å; K136-L144 HydrophobicContact CG-CB 4.09Å; K136-L144 HydrophobicContact CG-CD2 3.98Å; K136-L144 WeakPolarHBondContact O-CB 3.48Å; K136-L144 PolarHBondContact O-N 2.84Å; L138-L144 HydrophobicContact CD2-CB 4.11Å; L138-L144 HydrophobicContact CG-CB 4.16Å; L144-L156 HydrophobicContact CD1-CD2 4.19Å; L144-L156 HydrophobicContact CG-CD2 4.47Å; L144-I178 HydrophobicContact CD2-CG2 4.31Å; L144-L182 HydrophobicContact CD2-CB 4.19Å; L144-L182 HydrophobicContact CD2-CD1 4.15Å; L144-F187 HydrophobicContact CD1-CE1 4.4Å; L144-F187 HydrophobicContact CD1-CE2 3.59Å; L144-F187 HydrophobicContact CD1-CZ 3.5Å |
| 145 | V | 97.6 | Very high | 96.7 | Very high | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.012 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 143.7 | -170.6 | 176.9 | 0 | 0 | 0 | 0 | 108.7 | L120 V132 V133 F134 L143 L156 R157 A159 | L120-V145 HydrophobicContact CD1-CG2 3.91Å; V132-V145 HydrophobicContact CB-CG1 3.42Å; V132-V145 VanDerWaalsContact CB-CG1 3.42Å; V132-V145 HydrophobicContact CG1-CG1 4.37Å; V132-V145 HydrophobicContact CG2-CG1 3.16Å; V133-V145 WeakPolarHBondContact O-CA 3.34Å; F134-V145 HydrophobicContact CD2-CG2 4.36Å; L143-V145 HydrophobicContact CB-CG2 3.84Å; V145-L156 WeakPolarHBondContact O-CA 3.33Å; V145-R157 PolarHBondContact N-O 3.35Å; V145-R157 PolarHBondContact O-N 2.87Å; V145-A159 HydrophobicContact CG2-CB 4.08Å |
| 146 | T | 97.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 133.1 | 169.7 | -170.1 | 0 | 0 | 0 | 0 | 109 | V133 L135 Q220 V223 D224 L227 | V133-T146 PolarHBondContact N-O 2.76Å; V133-T146 PolarHBondContact O-N 3.33Å; L135-T146 HydrophobicContact CD1-CG2 3.79Å; L135-T146 HydrophobicContact CD2-CG2 3.75Å; L135-T146 HydrophobicContact CG-CG2 4Å; T146-Q220 PolarHBondContact OG1-NE2 3.01Å; T146-V223 HydrophobicContact CG2-CG1 4.42Å; T146-D224 PolarHBondContact OG1-OD1 3.05Å; T146-L227 HydrophobicContact CG2-CD2 3.42Å; T146-L227 VanDerWaalsContact CG2-CD2 3.42Å |
| 147 | G | 96.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 108.6 | 159.5 | 0 | 0 | 0 | 0 | 0 | 106 | L149 N152 V154 | G147-L149 WeakPolarHBondContact O-CA 3.32Å; G147-L149 PolarHBondContact O-N 2.91Å; G147-N152 WeakPolarHBondContact CA-ND2 3.28Å; G147-N152 VanDerWaalsContact CA-OD1 3.25Å; G147-N152 WeakPolarHBondContact CA-OD1 3.33Å; G147-N152 PolarHBondContact O-OD1 2.9Å; G147-V154 CarbonylContact C-O 3.58Å; G147-V154 PolarHBondContact N-O 2.92Å; G147-V154 CarbonylContact O-C 3.54Å |
| 148 | P | 95.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | trans | -40.6 | 119.5 | -169.2 | -27.7 | 27.9 | 0 | 0 | 0 | 110.9 | A150 L151 N152 L227 L228 I231 | P148-A150 PolarHBondContact O-N 3.39Å; P148-L151 HydrophobicContact CB-CD1 4.13Å; P148-L151 HydrophobicContact CB-CG 4.23Å; P148-L151 HydrophobicContact CG-CD1 4.2Å; P148-L151 PolarHBondContact O-N 3.29Å; P148-N152 PolarHBondContact O-N 3.33Å; P148-L227 HydrophobicContact CG-CD2 4Å; P148-L227 HydrophobicContact CG-CG 4.46Å; P148-L228 HydrophobicContact CB-CD2 3.76Å; P148-L228 HydrophobicContact CB-CG 4.35Å; P148-L228 HydrophobicContact CG-CD2 4.41Å; P148-I231 HydrophobicContact CG-CD1 3.39Å | ||
| 149 | L | 96.6 | Very high | 96.7 | Very high | 66 Ų | 66 | 36.3 Ų | 36.3 | 35% | 0.346 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -59.9 | -31.8 | -158 | -174.7 | 71.6 | 0 | 0 | 0 | 111.2 | G147 L151 R153 P155 Q220 D224 | G147-L149 WeakPolarHBondContact O-CA 3.32Å; G147-L149 PolarHBondContact O-N 2.91Å; L149-L151 VanDerWaalsContact C-N 3.31Å; L149-L151 PolarHBondContact O-N 2.99Å; L149-R153 WeakPolarHBondContact O-CA 3.26Å; L149-R153 WeakPolarHBondContact O-CD 3.3Å; L149-R153 PolarHBondContact O-N 3.32Å; L149-P155 HydrophobicContact CD1-CB 4.17Å; L149-Q220 HydrophobicContact CB-CG 4.11Å; L149-Q220 HydrophobicContact CD2-CG 4.2Å; L149-D224 WeakPolarHBondContact CB-OD2 3.27Å; L149-D224 PolarHBondContact N-OD2 2.95Å |
| 150 | A | 94.8 | Very high | 96.8 | Very high | 69 Ų | 69 | 35.5 Ų | 35.5 | 57% | 0.57 | 18% | 0.18 | S | C | * | . | H | α-helix | trans | -63.4 | -29.1 | 175 | 0 | 0 | 0 | 0 | 0 | 114.3 | P148 | P148-A150 PolarHBondContact O-N 3.39Å |
| 151 | L | 95.4 | Very high | 96.9 | Very high | 33 Ų | 33 | 35.9 Ų | 35.9 | 17% | 0.173 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -89.1 | -54.9 | -176.5 | -63.1 | -178.8 | 0 | 0 | 0 | 112.5 | P148 L149 L228 I231 L241 | P148-L151 HydrophobicContact CB-CD1 4.13Å; P148-L151 HydrophobicContact CB-CG 4.23Å; P148-L151 HydrophobicContact CG-CD1 4.2Å; P148-L151 PolarHBondContact O-N 3.29Å; L149-L151 VanDerWaalsContact C-N 3.31Å; L149-L151 PolarHBondContact O-N 2.99Å; L151-L228 HydrophobicContact CD1-CD2 4.21Å; L151-L228 HydrophobicContact CG-CD2 4.27Å; L151-I231 HydrophobicContact CD1-CG2 4.36Å; L151-L241 HydrophobicContact CD1-CB 4.39Å; L151-L241 HydrophobicContact CD1-CD1 4.29Å |
| 152 | N | 95.6 | Very high | 97 | Very high | 7 Ų | 7 | 43.5 Ų | 43.5 | 4% | 0.037 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -128.2 | 7 | -167.7 | 69.1 | 11.5 | 0 | 0 | 0 | 114.3 | K130 R131 G147 P148 V154 L241 | K130-N152 WeakPolarHBondContact CD-O 3.35Å; K130-N152 PolarHBondContact NZ-O 3.36Å; R131-N152 PolarHBondContact O-ND2 3.5Å; G147-N152 WeakPolarHBondContact CA-ND2 3.28Å; G147-N152 VanDerWaalsContact CA-OD1 3.25Å; G147-N152 WeakPolarHBondContact CA-OD1 3.33Å; G147-N152 PolarHBondContact O-OD1 2.9Å; P148-N152 PolarHBondContact O-N 3.33Å; N152-V154 VanDerWaalsContact C-N 3.26Å; N152-V154 PolarHBondContact O-N 2.87Å; N152-V154 PolarHBondContact OD1-N 3.46Å; N152-V154 VanDerWaalsContact OD1-N 3.15Å; N152-L241 WeakPolarHBondContact CB-O 3.16Å; N152-L241 PolarHBondContact ND2-O 3.4Å |
| 153 | R | 96.6 | Very high | 97 | Very high | 170 Ų | 170 | 46.5 Ų | 46.5 | 64% | 0.642 | 22% | 0.22 | S | C | * | . | trans | 59.9 | 28.6 | 176.9 | -49.4 | -65.4 | -176.8 | -173.5 | 3.5 | 114.1 | H127 L149 | H127-R153 PolarHBondContact CE1-O 3.39Å; L149-R153 WeakPolarHBondContact O-CA 3.26Å; L149-R153 WeakPolarHBondContact O-CD 3.3Å; L149-R153 PolarHBondContact O-N 3.32Å | ||
| 154 | V | 97.4 | Very high | 97 | Very high | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.006 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 101.2 | 174.4 | -173.3 | 0 | 0 | 0 | 0 | 110.3 | L122 H127 K130 V132 G147 N152 | L122-V154 HydrophobicContact CD1-CG1 4.31Å; H127-V154 HydrophobicContact CB-CG1 4.43Å; H127-V154 HydrophobicContact CB-CG2 3.93Å; K130-V154 HydrophobicContact CB-CG2 4.02Å; K130-V154 HydrophobicContact CD-CG2 3.38Å; K130-V154 HydrophobicContact CG-CG2 4.32Å; V132-V154 HydrophobicContact CG1-CB 3.93Å; V132-V154 HydrophobicContact CG1-CG1 3.91Å; V132-V154 HydrophobicContact CG1-CG2 3.94Å; G147-V154 CarbonylContact C-O 3.58Å; G147-V154 PolarHBondContact N-O 2.92Å; G147-V154 CarbonylContact O-C 3.54Å; N152-V154 VanDerWaalsContact C-N 3.26Å; N152-V154 PolarHBondContact O-N 2.87Å; N152-V154 PolarHBondContact OD1-N 3.46Å; N152-V154 VanDerWaalsContact OD1-N 3.15Å |
| 155 | P | 96.9 | Very high | 97 | Very high | 51 Ų | 51 | 48.4 Ų | 48.4 | 33% | 0.331 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 172.9 | 180 | 31.3 | -36.8 | 0 | 0 | 0 | 111.6 | L149 R157 | L149-P155 HydrophobicContact CD1-CB 4.17Å; P155-R157 VanDerWaalsContact O-CB 3.3Å; P155-R157 WeakPolarHBondContact O-CB 3.43Å; P155-R157 PolarHBondContact O-N 3.44Å |
| 156 | L | 96.9 | Very high | 97 | Very high | 17 Ų | 17 | 48.7 Ų | 48.7 | 9% | 0.089 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -47.7 | 112.1 | 164.3 | -78.7 | 165.7 | 0 | 0 | 0 | 109.2 | L135 L144 V145 L182 F187 Q220 V223 | L135-L156 HydrophobicContact CD1-CD2 3.54Å; L144-L156 HydrophobicContact CD1-CD2 4.19Å; L144-L156 HydrophobicContact CG-CD2 4.47Å; V145-L156 WeakPolarHBondContact O-CA 3.33Å; L156-L182 HydrophobicContact CD1-CD1 4.2Å; L156-F187 HydrophobicContact CB-CE1 4.19Å; L156-F187 HydrophobicContact CB-CZ 4.25Å; L156-F187 WeakPolarHBondContact O-CE1 3.32Å; L156-Q220 VanDerWaalsContact CG-OE1 3.24Å; L156-V223 HydrophobicContact CD1-CB 4.37Å; L156-V223 HydrophobicContact CD1-CG2 4.1Å; L156-V223 HydrophobicContact CD2-CG1 4.35Å |
| 157 | R | 96.1 | Very high | 97 | Very high | 96 Ų | 96 | 49 Ų | 49 | 36% | 0.362 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 150.6 | -170.8 | -171.3 | 172.7 | -176.3 | -93.7 | 0.1 | 110.6 | V145 P155 | V145-R157 PolarHBondContact N-O 3.35Å; V145-R157 PolarHBondContact O-N 2.87Å; P155-R157 VanDerWaalsContact O-CB 3.3Å; P155-R157 WeakPolarHBondContact O-CB 3.43Å; P155-R157 PolarHBondContact O-N 3.44Å |
| 158 | R | 97.6 | Very high | 97 | Very high | 64 Ų | 64 | 52.6 Ų | 52.6 | 24% | 0.242 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 130.4 | 169.1 | -61.6 | -170.3 | -64.5 | -179.4 | -7.5 | 110.5 | L138 L142 L143 D184 F187 | L138-R158 VanDerWaalsContact CD1-CD 3.41Å; L138-R158 HydrophobicContact CD1-CG 3.62Å; L142-R158 HydrophobicContact CB-CB 4.34Å; L142-R158 HydrophobicContact CD1-CB 4.17Å; L143-R158 CarbonylContact O-C 3.5Å; L143-R158 VanDerWaalsContact O-CA 3.3Å; L143-R158 WeakPolarHBondContact O-CA 3.2Å; R158-D184 PolarHBondContact NH1-O 3.33Å; R158-D184 IonicContact NH1-OD1 2.99Å; R158-D184 PolarHBondContact NH1-OD1 3.33Å; R158-F187 HydrophobicContact CG-CB 3.81Å; R158-F187 HydrophobicContact CG-CD2 3.96Å; R158-F187 HydrophobicContact CG-CG 3.88Å; R158-F187 VanDerWaalsContact NE-CB 3.27Å; R158-F187 PolarHBondContact NH2-O 3.16Å |
| 159 | A | 97.6 | Very high | 97 | Very high | 8 Ų | 8 | 54.9 Ų | 54.9 | 7% | 0.066 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 150 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | L122 L143 V145 V164 | L122-A159 HydrophobicContact CD2-CB 3.85Å; L143-A159 PolarHBondContact N-O 3.06Å; L143-A159 PolarHBondContact O-N 3.36Å; V145-A159 HydrophobicContact CG2-CB 4.08Å; A159-V164 HydrophobicContact CB-CG2 4.13Å |
| 160 | H | 97.8 | Very high | 97 | Very high | 83 Ų | 83 | 57.4 Ų | 57.4 | 38% | 0.384 | 29% | 0.287 | S | S | . | . | trans | -91.4 | 132.5 | 175.2 | -169.8 | -82.8 | 0 | 0 | 0 | 109.5 | L142 K162 F163 | L142-H160 HydrophobicContact CD2-CB 4.08Å; H160-K162 VanDerWaalsContact C-N 3.26Å; H160-K162 PolarHBondContact ND1-N 2.9Å; H160-K162 PolarHBondContact O-N 2.93Å; H160-K162 VanDerWaalsContact O-N 3.14Å; H160-F163 HydrophobicContact CB-CD2 3.78Å; H160-F163 HydrophobicContact CB-CE2 4.35Å; H160-F163 PolarHBondContact O-N 3.11Å | ||
| 161 | Q | 97.3 | Very high | 97.1 | Very high | 33 Ų | 33 | 54.4 Ų | 54.4 | 15% | 0.154 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -55 | -34.6 | -175.2 | 179.1 | -179 | -30.6 | 0 | 0 | 115 | N109 I114 L143 F163 | N109-Q161 PolarHBondContact O-OE1 3.16Å; I114-Q161 HydrophobicContact CD1-CG 3.73Å; L143-Q161 HydrophobicContact CD1-CB 4.17Å; L143-Q161 HydrophobicContact CD2-CB 4.4Å; L143-Q161 HydrophobicContact CG-CB 4.28Å; Q161-F163 VanDerWaalsContact C-N 3.29Å; Q161-F163 PolarHBondContact O-N 2.96Å |
| 162 | K | 97.7 | Very high | 97.1 | Very high | 174 Ų | 174 | 58.3 Ų | 58.3 | 76% | 0.757 | 28% | 0.282 | S | S | * | . | G | 310 helix | trans | -68.2 | -24.9 | 177.7 | -68.8 | -174.7 | 177.3 | -171.7 | 0 | 113.9 | H160 V164 | H160-K162 VanDerWaalsContact C-N 3.26Å; H160-K162 PolarHBondContact ND1-N 2.9Å; H160-K162 PolarHBondContact O-N 2.93Å; H160-K162 VanDerWaalsContact O-N 3.14Å; K162-V164 VanDerWaalsContact C-N 3.31Å; K162-V164 PolarHBondContact O-N 3.1Å |
| 163 | F | 97.9 | Very high | 97 | Very high | 103 Ų | 103 | 58.5 Ų | 58.5 | 45% | 0.452 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -101.9 | 30.3 | -174 | -59.3 | -51 | 0 | 0 | 0 | 112.2 | L123 T124 H160 Q161 | L123-F163 WeakPolarHBondContact CB-O 3.35Å; L123-F163 PolarHBondContact N-O 3.26Å; T124-F163 HydrophobicContact CG2-CB 3.82Å; T124-F163 HydrophobicContact CG2-CD1 3.85Å; T124-F163 HydrophobicContact CG2-CG 3.86Å; T124-F163 WeakPolarHBondContact OG1-CB 3.48Å; H160-F163 HydrophobicContact CB-CD2 3.78Å; H160-F163 HydrophobicContact CB-CE2 4.35Å; H160-F163 PolarHBondContact O-N 3.11Å; Q161-F163 VanDerWaalsContact C-N 3.29Å; Q161-F163 PolarHBondContact O-N 2.96Å |
| 164 | V | 98.1 | Very high | 96.7 | Very high | 5 Ų | 5 | 55.3 Ų | 55.3 | 3% | 0.03 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 136.5 | -174.8 | 176.6 | 0 | 0 | 0 | 0 | 109.3 | R111 L120 V121 L122 A159 K162 | R111-V164 PolarHBondContact NH1-O 2.98Å; L120-V164 HydrophobicContact CB-CG1 3.48Å; L120-V164 VanDerWaalsContact CB-CG1 3.48Å; L120-V164 HydrophobicContact CD1-CG1 3.93Å; L120-V164 HydrophobicContact CD2-CG1 3.7Å; L120-V164 HydrophobicContact CG-CG1 3.85Å; V121-V164 VanDerWaalsContact O-CA 3.31Å; V121-V164 WeakPolarHBondContact O-CA 3.42Å; L122-V164 HydrophobicContact CD2-CG2 3.89Å; A159-V164 HydrophobicContact CB-CG2 4.13Å; K162-V164 VanDerWaalsContact C-N 3.31Å; K162-V164 PolarHBondContact O-N 3.1Å |
| 165 | I | 98 | Very high | 96.3 | Very high | 34 Ų | 34 | 58.8 Ų | 58.8 | 17% | 0.174 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 128.1 | 166.3 | -53.2 | 179.1 | 0 | 0 | 0 | 107.6 | L120 V121 L123 F258 | L120-I165 CarbonylContact C-O 3.56Å; L120-I165 WeakPolarHBondContact CA-O 3.39Å; V121-I165 HydrophobicContact CB-CB 4.19Å; V121-I165 PolarHBondContact N-O 3.16Å; V121-I165 PolarHBondContact O-N 3.5Å; L123-I165 HydrophobicContact CD1-CD1 4.33Å; L123-I165 HydrophobicContact CD1-CG1 3.86Å; L123-I165 HydrophobicContact CD2-CD1 3.82Å; L123-I165 HydrophobicContact CD2-CG1 3.96Å; L123-I165 HydrophobicContact CG-CD1 4.49Å; L123-I165 HydrophobicContact CG-CG1 4.12Å; I165-F258 HydrophobicContact CD1-CD1 4.46Å; I165-F258 HydrophobicContact CD1-CE1 4.04Å; I165-F258 HydrophobicContact CD1-CZ 4.09Å; I165-F258 HydrophobicContact CG2-CB 3.68Å; I165-F258 HydrophobicContact CG2-CD1 3.71Å; I165-F258 HydrophobicContact CG2-CD2 4.08Å; I165-F258 HydrophobicContact CG2-CE1 4.32Å; I165-F258 HydrophobicContact CG2-CG 3.55Å |
| 166 | A | 98.3 | Very high | 96.1 | Very high | 9 Ų | 9 | 57.3 Ų | 57.3 | 7% | 0.074 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 125.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 107.5 | I114 T118 L120 | I114-A166 HydrophobicContact CG1-CB 3.74Å; T118-A166 HydrophobicContact CG2-CB 4.38Å; L120-A166 HydrophobicContact CD2-CB 3.93Å |
| 167 | T | 97.9 | Very high | 95.8 | Very high | 6 Ų | 6 | 64.9 Ų | 64.9 | 4% | 0.037 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 165.6 | 176.5 | 67 | 0 | 0 | 0 | 0 | 111 | T118 V119 V121 T169 F258 | T118-T167 VanDerWaalsContact CG2-O 3.24Å; T118-T167 WeakPolarHBondContact CG2-O 3.25Å; V119-T167 WeakPolarHBondContact CB-OG1 3.45Å; V119-T167 PolarHBondContact O-N 3.45Å; V119-T167 PolarHBondContact O-OG1 3.41Å; V121-T167 HydrophobicContact CG2-CG2 3.96Å; T167-T169 PolarHBondContact O-N 3.24Å; T167-F258 WeakPolarHBondContact CA-OXT 3.18Å; T167-F258 WeakPolarHBondContact CB-OXT 3.45Å |
| 168 | A | 96.9 | Very high | 95.6 | Very high | 76 Ų | 76 | 62.3 Ų | 62.3 | 63% | 0.628 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.6 | -20.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | K170 F258 | A168-K170 PolarHBondContact O-N 2.98Å; A168-F258 VanDerWaalsContact N-C 3.34Å; A168-F258 PolarHBondContact N-O 3.21Å; A168-F258 VanDerWaalsContact N-O 3.17Å; A168-F258 PolarHBondContact N-OXT 3.14Å |
| 169 | T | 96.6 | Very high | 95.3 | Very high | 48 Ų | 48 | 61 Ų | 61 | 29% | 0.294 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 127.8 | -179.3 | -41.6 | 0 | 0 | 0 | 0 | 111.5 | V119 T167 L237 | V119-T169 HydrophobicContact CG2-CG2 4.19Å; V119-T169 PolarHBondContact N-O 3.45Å; T167-T169 PolarHBondContact O-N 3.24Å; T169-L237 HydrophobicContact CG2-CD1 4.01Å |
| 170 | K | 96.3 | Very high | 95 | Very high | 119 Ų | 119 | 70.2 Ų | 70.2 | 52% | 0.517 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 140.8 | 178.6 | -63.5 | -179.7 | -176.7 | -176.7 | 0 | 110.9 | T115 A168 | T115-K170 WeakPolarHBondContact OG1-CE 3.47Å; T115-K170 PolarHBondContact OG1-NZ 3.02Å; A168-K170 PolarHBondContact O-N 2.98Å |
| 171 | V | 95.9 | Very high | 94.7 | Very high | 6 Ų | 6 | 70.1 Ų | 70.1 | 4% | 0.036 | 38% | 0.381 | C | S | . | . | trans | -104.3 | 133.7 | 166.9 | -177.4 | 0 | 0 | 0 | 0 | 107.2 | G117 I173 L227 L230 L237 | G117-V171 VanDerWaalsContact CA-O 3.3Å; G117-V171 WeakPolarHBondContact CA-O 3.46Å; G117-V171 PolarHBondContact O-N 2.84Å; V171-I173 HydrophobicContact CB-CG1 4.41Å; V171-I173 HydrophobicContact CG1-CG1 4.26Å; V171-I173 PolarHBondContact O-N 2.87Å; V171-L227 HydrophobicContact CG1-CD1 4.38Å; V171-L230 HydrophobicContact CG1-CB 3.96Å; V171-L237 HydrophobicContact CG2-CD2 3.58Å | ||
| 172 | D | 95 | Very high | 94.5 | Very high | 115 Ų | 115 | 68.6 Ų | 68.6 | 62% | 0.615 | 37% | 0.373 | S | S | * | . | trans | -73.3 | 119.4 | 173.5 | -178.5 | 17 | 0 | 0 | 0 | 110.2 | S174 L230 | D172-S174 VanDerWaalsContact OD1-CB 3.26Å; D172-S174 WeakPolarHBondContact OD1-CB 3.47Å; D172-S174 PolarHBondContact OD1-N 2.88Å; D172-S174 PolarHBondContact OD1-OG 2.74Å; D172-S174 PolarHBondContact OD2-OG 3.2Å; D172-L230 WeakPolarHBondContact O-CD1 3.39Å | ||
| 173 | I | 93.9 | Very high | 94.4 | Very high | 11 Ų | 11 | 62.7 Ų | 62.7 | 6% | 0.056 | 35% | 0.354 | C | S | . | . | trans | -118.5 | 7.2 | -176.4 | -61.6 | -172 | 0 | 0 | 0 | 111 | V133 L135 V171 G175 M176 L227 | V133-I173 HydrophobicContact CG1-CD1 3.46Å; V133-I173 VanDerWaalsContact CG1-CD1 3.46Å; L135-I173 HydrophobicContact CD2-CD1 4.21Å; V171-I173 HydrophobicContact CB-CG1 4.41Å; V171-I173 HydrophobicContact CG1-CG1 4.26Å; V171-I173 PolarHBondContact O-N 2.87Å; I173-G175 PolarHBondContact O-N 3.15Å; I173-G175 VanDerWaalsContact O-N 3.12Å; I173-M176 HydrophobicContact CG2-CB 3.63Å; I173-M176 HydrophobicContact CG2-CE 3.23Å; I173-M176 HydrophobicContact CG2-CG 4.34Å; I173-M176 HydrophobicContact CG2-SD 3.91Å; I173-M176 WeakPolarHBondContact O-CB 3.37Å; I173-M176 PolarHBondContact O-N 2.82Å; I173-L227 HydrophobicContact CD1-CD1 3.79Å; I173-L227 HydrophobicContact CG1-CD1 4.2Å | ||
| 174 | S | 91.6 | Very high | 94.3 | Very high | 103 Ų | 103 | 58.9 Ų | 58.9 | 72% | 0.72 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | -38.2 | -177.5 | 57.7 | 0 | 0 | 0 | 0 | 113.9 | D172 | D172-S174 VanDerWaalsContact OD1-CB 3.26Å; D172-S174 WeakPolarHBondContact OD1-CB 3.47Å; D172-S174 PolarHBondContact OD1-N 2.88Å; D172-S174 PolarHBondContact OD1-OG 2.74Å; D172-S174 PolarHBondContact OD2-OG 3.2Å |
| 175 | G | 88.3 | Confident | 94.2 | Very high | 73 Ų | 73 | 62.1 Ų | 62.1 | 75% | 0.753 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -5.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | I173 | I173-G175 PolarHBondContact O-N 3.15Å; I173-G175 VanDerWaalsContact O-N 3.12Å |
| 176 | M | 91.6 | Very high | 94.1 | Very high | 21 Ų | 21 | 62.4 Ų | 62.4 | 10% | 0.103 | 37% | 0.365 | C | S | . | . | trans | -86.2 | 132 | -173.5 | -169 | -176.9 | 71.7 | 0 | 0 | 112 | L135 I173 I178 V223 Q226 L227 | L135-M176 HydrophobicContact CD2-CE 3.55Å; I173-M176 HydrophobicContact CG2-CB 3.63Å; I173-M176 HydrophobicContact CG2-CE 3.23Å; I173-M176 HydrophobicContact CG2-CG 4.34Å; I173-M176 HydrophobicContact CG2-SD 3.91Å; I173-M176 WeakPolarHBondContact O-CB 3.37Å; I173-M176 PolarHBondContact O-N 2.82Å; M176-I178 HydrophobicContact CE-CD1 3.94Å; M176-I178 HydrophobicContact CE-CG1 3.48Å; M176-I178 VanDerWaalsContact CE-CG1 3.48Å; M176-I178 PolarHBondContact O-N 3.16Å; M176-V223 HydrophobicContact SD-CG1 4.44Å; M176-Q226 HydrophobicContact CG-CB 3.9Å; M176-Q226 HydrophobicContact SD-CB 4.37Å; M176-L227 HydrophobicContact SD-CB 4.35Å | ||
| 177 | K | 91.8 | Very high | 93.9 | Very high | 175 Ų | 175 | 63 Ų | 63 | 76% | 0.761 | 37% | 0.366 | S | S | * | . | trans | -92.8 | 101.3 | 178.5 | -66.9 | -179.3 | -176 | 174.8 | 0 | 110.2 | P179 | K177-P179 WeakPolarHBondContact O-CD 3.44Š| ||
| 178 | I | 91.4 | Very high | 93.7 | Very high | 43 Ų | 43 | 70 Ų | 70 | 22% | 0.221 | 40% | 0.396 | C | S | . | . | trans | -79.2 | 123.4 | 174.1 | -58 | 164.4 | 0 | 0 | 0 | 109.3 | L135 K136 L144 M176 K180 L182 | L135-I178 HydrophobicContact CB-CD1 3.85Å; K136-I178 HydrophobicContact CB-CD1 4.24Å; K136-I178 HydrophobicContact CD-CD1 4.45Å; K136-I178 HydrophobicContact CD-CG2 4.01Å; K136-I178 HydrophobicContact CG-CD1 4.28Å; L144-I178 HydrophobicContact CD2-CG2 4.31Å; M176-I178 HydrophobicContact CE-CD1 3.94Å; M176-I178 HydrophobicContact CE-CG1 3.48Å; M176-I178 VanDerWaalsContact CE-CG1 3.48Å; M176-I178 PolarHBondContact O-N 3.16Å; I178-K180 PolarHBondContact O-N 3.18Å; I178-L182 HydrophobicContact CG2-CD1 4.22Å | ||
| 179 | P | 91.6 | Very high | 93.4 | Very high | 37 Ų | 37 | 75.3 Ų | 75.3 | 24% | 0.24 | 41% | 0.405 | C | S | . | . | trans | -57.1 | 134.2 | 179.1 | -24.6 | 32.7 | 0 | 0 | 0 | 112.6 | K177 T181 L182 | K177-P179 WeakPolarHBondContact O-CD 3.44Å; P179-T181 WeakPolarHBondContact CB-OG1 3.36Å; P179-T181 PolarHBondContact O-N 2.7Å; P179-L182 HydrophobicContact CB-CD1 4.44Å; P179-L182 HydrophobicContact CB-CG 4.23Å; P179-L182 HydrophobicContact CG-CD1 4.34Å; P179-L182 PolarHBondContact O-N 3.3Å | ||
| 180 | K | 90.6 | Very high | 93 | Very high | 201 Ų | 201 | 82.2 Ų | 82.2 | 87% | 0.874 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -23.4 | 177.3 | -67.1 | 180 | -177.4 | 173.8 | 0 | 112.3 | I178 L182 | I178-K180 PolarHBondContact O-N 3.18Å; K180-L182 PolarHBondContact O-N 2.97Å |
| 181 | T | 91.8 | Very high | 92.4 | Very high | 81 Ų | 81 | 88 Ų | 88 | 50% | 0.497 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -28.1 | 175.5 | 52.7 | 0 | 0 | 0 | 0 | 112.8 | P179 S183 | P179-T181 WeakPolarHBondContact CB-OG1 3.36Å; P179-T181 PolarHBondContact O-N 2.7Å; T181-S183 VanDerWaalsContact C-N 3.27Å; T181-S183 PolarHBondContact O-N 2.98Å |
| 182 | L | 94.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 93.5 Ų | 93.5 | 0% | 0 | 48% | 0.478 | C | S | . | . | trans | -72.4 | 79.4 | 177.1 | -60.3 | -179.9 | 0 | 0 | 0 | 111.1 | K136 L144 L156 I178 P179 K180 Y186 F187 | K136-L182 WeakPolarHBondContact CE-O 3.31Å; K136-L182 PolarHBondContact NZ-O 2.91Å; L144-L182 HydrophobicContact CD2-CB 4.19Å; L144-L182 HydrophobicContact CD2-CD1 4.15Å; L156-L182 HydrophobicContact CD1-CD1 4.2Å; I178-L182 HydrophobicContact CG2-CD1 4.22Å; P179-L182 HydrophobicContact CB-CD1 4.44Å; P179-L182 HydrophobicContact CB-CG 4.23Å; P179-L182 HydrophobicContact CG-CD1 4.34Å; P179-L182 PolarHBondContact O-N 3.3Å; K180-L182 PolarHBondContact O-N 2.97Å; L182-Y186 HydrophobicContact CD2-CD1 3.96Å; L182-Y186 HydrophobicContact CD2-CD2 4.48Å; L182-Y186 HydrophobicContact CD2-CE1 3.7Å; L182-Y186 HydrophobicContact CD2-CE2 4.22Å; L182-Y186 HydrophobicContact CD2-CG 4.34Å; L182-F187 HydrophobicContact CB-CE2 4.24Å; L182-F187 HydrophobicContact CD2-CE2 4.35Å; L182-F187 HydrophobicContact CD2-CZ 4.02Å | ||
| 183 | S | 95.8 | Very high | 90.6 | Very high | 51 Ų | 51 | 99.2 Ų | 99.2 | 36% | 0.357 | 49% | 0.491 | S | S | . | . | trans | -110.3 | 173 | 179.6 | 69 | 0 | 0 | 0 | 0 | 112.1 | T181 A185 Y186 F187 | T181-S183 VanDerWaalsContact C-N 3.27Å; T181-S183 PolarHBondContact O-N 2.98Å; S183-A185 PolarHBondContact O-N 2.91Å; S183-Y186 WeakPolarHBondContact O-CB 3.48Å; S183-Y186 PolarHBondContact O-N 3.28Å; S183-F187 VanDerWaalsContact O-CD2 3.3Å; S183-F187 WeakPolarHBondContact O-CD2 3.41Å | ||
| 184 | D | 95.6 | Very high | 89.6 | Confident | 22 Ų | 22 | 109.7 Ų | 109.7 | 12% | 0.118 | 53% | 0.53 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -30.2 | 175.9 | -80.9 | -67.6 | 0 | 0 | 0 | 113.8 | L138 S139 S140 R158 K188 | L138-D184 WeakPolarHBondContact CB-OD2 3.03Å; S139-D184 PolarHBondContact N-OD2 3.4Å; S139-D184 PolarHBondContact OG-OD2 3.05Å; S140-D184 VanDerWaalsContact CB-OD1 3.27Å; S140-D184 WeakPolarHBondContact CB-OD1 3.39Å; S140-D184 WeakPolarHBondContact CB-OD2 3.37Å; S140-D184 PolarHBondContact N-OD2 3.19Å; S140-D184 PolarHBondContact OG-OD1 3.41Å; S140-D184 PolarHBondContact OG-OD2 2.91Å; R158-D184 PolarHBondContact NH1-O 3.33Å; R158-D184 IonicContact NH1-OD1 2.99Å; R158-D184 PolarHBondContact NH1-OD1 3.33Å; D184-K188 PolarHBondContact O-N 3.19Å |
| 185 | A | 95.1 | Very high | 88.7 | Confident | 73 Ų | 73 | 109 Ų | 109 | 60% | 0.603 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -41.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | S183 F187 K188 | S183-A185 PolarHBondContact O-N 2.91Å; A185-F187 PolarHBondContact O-N 2.92Å; A185-K188 WeakPolarHBondContact O-CB 3.39Å; A185-K188 PolarHBondContact O-N 3.28Å; A185-K188 VanDerWaalsContact O-N 3.08Å |
| 186 | Y | 95.4 | Very high | 88 | Confident | 41 Ų | 41 | 116.8 Ų | 116.8 | 16% | 0.161 | 53% | 0.529 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -39 | 177.5 | -179.6 | -86.1 | 0 | 0 | 0 | 112.7 | L182 S183 R216 D219 | L182-Y186 HydrophobicContact CD2-CD1 3.96Å; L182-Y186 HydrophobicContact CD2-CD2 4.48Å; L182-Y186 HydrophobicContact CD2-CE1 3.7Å; L182-Y186 HydrophobicContact CD2-CE2 4.22Å; L182-Y186 HydrophobicContact CD2-CG 4.34Å; S183-Y186 WeakPolarHBondContact O-CB 3.48Å; S183-Y186 PolarHBondContact O-N 3.28Å; Y186-R216 HydrophobicContact CE1-CG 4.04Å; Y186-R216 PolarHBondContact O-NH2 3.33Å; Y186-R216 WeakPolarHBondContact OH-CA 3.42Å; Y186-R216 WeakPolarHBondContact OH-CG 3.48Å; Y186-D219 VanDerWaalsContact CE2-OD2 3.31Å; Y186-D219 WeakPolarHBondContact CE2-OD2 3.36Å; Y186-D219 VanDerWaalsContact CZ-OD2 3.26Å; Y186-D219 PolarHBondContact OH-OD2 3.21Å |
| 187 | F | 95.1 | Very high | 87.1 | Confident | 20 Ų | 20 | 123.8 Ų | 123.8 | 9% | 0.088 | 56% | 0.561 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -94.7 | 3.4 | -179.3 | -63.6 | -73.3 | 0 | 0 | 0 | 114 | L138 L144 L156 R158 L182 S183 A185 K189 | L138-F187 HydrophobicContact CD1-CD2 4.3Å; L144-F187 HydrophobicContact CD1-CE1 4.4Å; L144-F187 HydrophobicContact CD1-CE2 3.59Å; L144-F187 HydrophobicContact CD1-CZ 3.5Å; L156-F187 HydrophobicContact CB-CE1 4.19Å; L156-F187 HydrophobicContact CB-CZ 4.25Å; L156-F187 WeakPolarHBondContact O-CE1 3.32Å; R158-F187 HydrophobicContact CG-CB 3.81Å; R158-F187 HydrophobicContact CG-CD2 3.96Å; R158-F187 HydrophobicContact CG-CG 3.88Å; R158-F187 VanDerWaalsContact NE-CB 3.27Å; R158-F187 PolarHBondContact NH2-O 3.16Å; L182-F187 HydrophobicContact CB-CE2 4.24Å; L182-F187 HydrophobicContact CD2-CE2 4.35Å; L182-F187 HydrophobicContact CD2-CZ 4.02Å; S183-F187 VanDerWaalsContact O-CD2 3.3Å; S183-F187 WeakPolarHBondContact O-CD2 3.41Å; A185-F187 PolarHBondContact O-N 2.92Å; F187-K189 PolarHBondContact O-N 3.46Å |
| 188 | K | 94 | Very high | 85.8 | Confident | 153 Ų | 153 | 124.3 Ų | 124.3 | 67% | 0.665 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -69.3 | 133.3 | 177.1 | -167.8 | 175.8 | 179.8 | -177.9 | 0 | 108.8 | D184 A185 K190 | D184-K188 PolarHBondContact O-N 3.19Å; A185-K188 WeakPolarHBondContact O-CB 3.39Å; A185-K188 PolarHBondContact O-N 3.28Å; A185-K188 VanDerWaalsContact O-N 3.08Å; K188-K190 PolarHBondContact O-N 3.25Å |
| 189 | K | 90.6 | Very high | 84.5 | Confident | 188 Ų | 188 | 130.6 Ų | 130.6 | 82% | 0.817 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 128.2 | 174.1 | -69.5 | -173.1 | 177.4 | -173.7 | 0 | 108.7 | F187 | F187-K189 PolarHBondContact O-N 3.46Š|
| 190 | K | 87.7 | Confident | 82.9 | Confident | 194 Ų | 194 | 132.3 Ų | 132.3 | 84% | 0.843 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 130.9 | 168 | -63.7 | -174.4 | 179.6 | -177.1 | 0 | 107.5 | K188 | K188-K190 PolarHBondContact O-N 3.25Š|
| 191 | R | 83.3 | Confident | 81.4 | Confident | 240 Ų | 240 | 129.5 Ų | 129.5 | 91% | 0.906 | 61% | 0.61 | S | S | * | * | trans | -108.1 | 118.8 | 172.7 | -70.9 | -173.7 | 175.6 | -173.6 | -2.7 | 106.6 | ||||
| 192 | L | 78.1 | Confident | 80.1 | Confident | 122 Ų | 122 | 131.5 Ų | 131.5 | 64% | 0.639 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 147.5 | 172.1 | -63.2 | 168.8 | 0 | 0 | 0 | 108.9 | E208 | L192-E208 HydrophobicContact CD1-CB 4.14Å; L192-E208 HydrophobicContact CD1-CG 4.45Å; L192-E208 WeakPolarHBondContact CD1-OE2 3.3Å |
| 193 | R | 74.9 | Confident | 78.7 | Confident | 234 Ų | 234 | 140.7 Ų | 140.7 | 88% | 0.883 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 137.9 | 171.5 | -72.6 | -176.9 | 174.5 | 178 | -0.8 | 107.6 | ||
| 194 | R | 72.6 | Confident | 76.8 | Confident | 232 Ų | 232 | 144.6 Ų | 144.6 | 88% | 0.875 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 137.9 | 170.1 | -66.7 | -177.6 | 178.5 | 176.3 | -3.2 | 108.3 | ||
| 195 | P | 73.4 | Confident | 75.3 | Confident | 89 Ų | 89 | 147.4 Ų | 147.4 | 58% | 0.578 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 148.4 | 170.2 | 24.5 | -31.1 | 0 | 0 | 0 | 109.2 | H197 | P195-H197 VanDerWaalsContact C-N 3.27Å; P195-H197 PolarHBondContact O-N 2.94Å |
| 196 | R | 73 | Confident | 73.9 | Confident | 235 Ų | 235 | 152.5 Ų | 152.5 | 89% | 0.887 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -81.2 | -0.7 | -171.5 | -76.7 | -176.9 | 175.3 | 176.6 | -2.2 | 114.1 | ||
| 197 | H | 72.7 | Confident | 72.7 | Confident | 168 Ų | 168 | 160 Ų | 160 | 78% | 0.778 | 74% | 0.736 | S | S | * | * | trans | -77.4 | 131.2 | -178.2 | -66.3 | -60.4 | 0 | 0 | 0 | 111.2 | P195 | P195-H197 VanDerWaalsContact C-N 3.27Å; P195-H197 PolarHBondContact O-N 2.94Å | ||
| 198 | Q | 65.5 | Low | 71.5 | Confident | 187 Ų | 187 | 166.3 Ų | 166.3 | 87% | 0.874 | 77% | 0.766 | S | S | * | * | trans | -93.4 | -14.2 | -173.4 | -77.9 | 179.2 | -11.6 | 0 | 0 | 113.2 | ||||
| 199 | E | 64.1 | Low | 70.8 | Confident | 174 Ų | 174 | 168 Ų | 168 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -143.3 | 143.6 | -175.4 | -66.5 | -178.6 | 165.2 | 0 | 0 | 111.3 | ||
| 200 | G | 58.1 | Low | 70.5 | Confident | 73 Ų | 73 | 166.1 Ų | 166.1 | 75% | 0.753 | 76% | 0.762 | S | S | * | * | S | Bend | trans | 110.1 | -62.2 | 161.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||
| 201 | E | 58.9 | Low | 70.4 | Confident | 143 Ų | 143 | 165 Ų | 165 | 67% | 0.668 | 76% | 0.759 | S | S | * | * | trans | -110.6 | 46 | -164.1 | -64.6 | -180 | 173.7 | 0 | 0 | 113.4 | F203 | E201-F203 VanDerWaalsContact C-N 3.27Å; E201-F203 PolarHBondContact O-N 3.1Å | ||
| 202 | I | 63.7 | Low | 70.7 | Confident | 123 Ų | 123 | 158.1 Ų | 158.1 | 63% | 0.631 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | -24.2 | -175.6 | -63 | 171.5 | 0 | 0 | 0 | 111.9 | ||
| 203 | F | 64.5 | Low | 71.5 | Confident | 192 Ų | 192 | 155 Ų | 155 | 84% | 0.842 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.6 | -17.4 | -173 | -63 | -75.8 | 0 | 0 | 0 | 114.7 | E201 | E201-F203 VanDerWaalsContact C-N 3.27Å; E201-F203 PolarHBondContact O-N 3.1Å |
| 204 | D | 56.8 | Low | 72.5 | Confident | 133 Ų | 133 | 150.6 Ų | 150.6 | 71% | 0.711 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | -7.2 | -178.5 | -64.2 | -38.9 | 0 | 0 | 0 | 114.1 | E206 | D204-E206 PolarHBondContact O-N 3.01Š|
| 205 | T | 64.2 | Low | 73.5 | Confident | 81 Ų | 81 | 144.9 Ų | 144.9 | 50% | 0.497 | 70% | 0.699 | S | S | . | * | S | Bend | trans | -77.6 | 93.7 | 169.2 | 44.1 | 0 | 0 | 0 | 0 | 109.8 | K207 | T205-K207 PolarHBondContact O-N 3.03Š|
| 206 | E | 66.3 | Low | 74.5 | Confident | 181 Ų | 181 | 143.8 Ų | 143.8 | 85% | 0.846 | 68% | 0.683 | S | S | * | * | trans | -47.9 | 119.6 | 169.1 | -71.9 | -163.9 | 163.4 | 0 | 0 | 109.2 | D204 E208 | D204-E206 PolarHBondContact O-N 3.01Å; E206-E208 VanDerWaalsContact C-N 3.35Å; E206-E208 PolarHBondContact O-N 3.45Å | ||
| 207 | K | 68.6 | Low | 75.5 | Confident | 197 Ų | 197 | 137.3 Ų | 137.3 | 86% | 0.857 | 66% | 0.662 | S | S | * | * | trans | -62.9 | 100.6 | 175.5 | -74.8 | 177.5 | -176.6 | 163.4 | 0 | 107.8 | T205 K209 | T205-K207 PolarHBondContact O-N 3.03Å; K207-K209 PolarHBondContact O-N 2.99Å | ||
| 208 | E | 70.2 | Confident | 76.6 | Confident | 154 Ų | 154 | 135 Ų | 135 | 72% | 0.72 | 65% | 0.651 | S | S | * | * | trans | -48.3 | 110.6 | 177.6 | -75.7 | -174.8 | -176.3 | 0 | 0 | 110 | L192 E206 | L192-E208 HydrophobicContact CD1-CB 4.14Å; L192-E208 HydrophobicContact CD1-CG 4.45Å; L192-E208 WeakPolarHBondContact CD1-OE2 3.3Å; E206-E208 VanDerWaalsContact C-N 3.35Å; E206-E208 PolarHBondContact O-N 3.45Å | ||
| 209 | K | 79.8 | Confident | 78 | Confident | 189 Ų | 189 | 127.2 Ų | 127.2 | 82% | 0.822 | 62% | 0.616 | S | S | * | * | trans | -70.3 | 141.6 | 177 | -67.4 | 174.6 | -174.5 | 164.9 | 0 | 107.7 | K207 Q211 | K207-K209 PolarHBondContact O-N 2.99Å; K209-Q211 PolarHBondContact O-N 2.99Å | ||
| 210 | Y | 83.4 | Confident | 79.6 | Confident | 148 Ų | 148 | 119.5 Ų | 119.5 | 58% | 0.58 | 58% | 0.58 | S | S | * | * | trans | -57.4 | 114.9 | 177.8 | 171.9 | -101.7 | 0 | 0 | 0 | 110.6 | L212 R216 | Y210-L212 HydrophobicContact CE1-CD1 4.26Å; Y210-R216 WeakPolarHBondContact OH-CD 3.44Å; Y210-R216 PolarHBondContact OH-NH1 2.85Å | ||
| 211 | Q | 86.6 | Confident | 81.3 | Confident | 169 Ų | 169 | 123.3 Ų | 123.3 | 79% | 0.79 | 58% | 0.575 | S | S | * | * | P | Polyproline II helix | trans | -90.4 | 138 | 171.6 | -64.7 | -175.1 | -1.2 | 0 | 0 | 110.6 | K209 T213 | K209-Q211 PolarHBondContact O-N 2.99Å; Q211-T213 PolarHBondContact O-N 3.2Å |
| 212 | L | 90.3 | Very high | 83.1 | Confident | 97 Ų | 97 | 119.5 Ų | 119.5 | 51% | 0.508 | 56% | 0.562 | S | S | . | * | P | Polyproline II helix | trans | -79.8 | 117.6 | -179.1 | -175.4 | 65.7 | 0 | 0 | 0 | 110.1 | Y210 R216 K217 | Y210-L212 HydrophobicContact CE1-CD1 4.26Å; L212-R216 HydrophobicContact CD1-CB 3.79Å; L212-K217 HydrophobicContact CD2-CD 4.3Å; L212-K217 HydrophobicContact CD2-CG 3.63Å; L212-K217 HydrophobicContact CG-CG 4Å |
| 213 | T | 93.8 | Very high | 84.6 | Confident | 55 Ų | 55 | 113.8 Ų | 113.8 | 34% | 0.337 | 53% | 0.533 | S | S | . | . | P | Polyproline II helix | trans | -69 | 145.4 | 176.8 | 53.8 | 0 | 0 | 0 | 0 | 111.5 | Q211 Q215 R216 K217 | Q211-T213 PolarHBondContact O-N 3.2Å; T213-Q215 VanDerWaalsContact C-N 3.31Å; T213-Q215 PolarHBondContact O-N 2.71Å; T213-R216 WeakPolarHBondContact O-CB 3.44Å; T213-R216 PolarHBondContact O-N 3.15Å; T213-K217 PolarHBondContact O-N 3.33Å |
| 214 | E | 95.3 | Very high | 86.1 | Confident | 143 Ų | 143 | 105.2 Ų | 105.2 | 67% | 0.668 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -58.9 | -42.5 | 179.3 | -63.9 | -175.7 | 153.2 | 0 | 0 | 112.4 | R216 K217 E218 | E214-R216 PolarHBondContact O-N 3.11Å; E214-R216 VanDerWaalsContact O-N 3.09Å; E214-K217 WeakPolarHBondContact O-CA 3.44Å; E214-K217 VanDerWaalsContact O-CB 3.31Å; E214-K217 WeakPolarHBondContact O-CB 3.38Å; E214-K217 PolarHBondContact O-N 3.22Å; E214-E218 PolarHBondContact O-N 2.59Å |
| 215 | Q | 94.1 | Very high | 87.9 | Confident | 111 Ų | 111 | 102.3 Ų | 102.3 | 52% | 0.519 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -49.6 | -39.4 | 172.7 | -173.5 | -179.1 | 16.5 | 0 | 0 | 113 | T213 E218 D219 | T213-Q215 VanDerWaalsContact C-N 3.31Å; T213-Q215 PolarHBondContact O-N 2.71Å; Q215-E218 PolarHBondContact O-N 3.21Å; Q215-D219 WeakPolarHBondContact O-CB 3.37Å; Q215-D219 VanDerWaalsContact O-CG 3.24Å; Q215-D219 PolarHBondContact O-N 2.71Å |
| 216 | R | 94.4 | Very high | 89.4 | Confident | 66 Ų | 66 | 101.9 Ų | 101.9 | 25% | 0.249 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -72.1 | -30.5 | 178.8 | -87 | 179 | 175.3 | -159.3 | 2.3 | 112.6 | Y186 Y210 L212 T213 E214 Q220 | Y186-R216 HydrophobicContact CE1-CG 4.04Å; Y186-R216 PolarHBondContact O-NH2 3.33Å; Y186-R216 WeakPolarHBondContact OH-CA 3.42Å; Y186-R216 WeakPolarHBondContact OH-CG 3.48Å; Y210-R216 WeakPolarHBondContact OH-CD 3.44Å; Y210-R216 PolarHBondContact OH-NH1 2.85Å; L212-R216 HydrophobicContact CD1-CB 3.79Å; T213-R216 WeakPolarHBondContact O-CB 3.44Å; T213-R216 PolarHBondContact O-N 3.15Å; E214-R216 PolarHBondContact O-N 3.11Å; E214-R216 VanDerWaalsContact O-N 3.09Å; R216-Q220 VanDerWaalsContact O-CB 3.32Å; R216-Q220 WeakPolarHBondContact O-CB 3.32Å; R216-Q220 PolarHBondContact O-N 3.26Å; R216-Q220 VanDerWaalsContact O-N 3.16Å |
| 217 | K | 95.2 | Very high | 90.8 | Very high | 99 Ų | 99 | 93.3 Ų | 93.3 | 43% | 0.43 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -69 | -43.4 | 175.2 | -60.8 | 176.1 | -176.1 | 171.1 | 0 | 109.9 | L212 T213 E214 Q220 K221 | L212-K217 HydrophobicContact CD2-CD 4.3Å; L212-K217 HydrophobicContact CD2-CG 3.63Å; L212-K217 HydrophobicContact CG-CG 4Å; T213-K217 PolarHBondContact O-N 3.33Å; E214-K217 WeakPolarHBondContact O-CA 3.44Å; E214-K217 VanDerWaalsContact O-CB 3.31Å; E214-K217 WeakPolarHBondContact O-CB 3.38Å; E214-K217 PolarHBondContact O-N 3.22Å; K217-Q220 PolarHBondContact O-N 2.82Å; K217-K221 VanDerWaalsContact O-CG 3.31Å; K217-K221 WeakPolarHBondContact O-CG 3.46Å; K217-K221 PolarHBondContact O-N 3.09Å |
| 218 | E | 95.3 | Very high | 92.1 | Very high | 120 Ų | 120 | 86 Ų | 86 | 56% | 0.561 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -67.4 | -48.8 | 178.6 | -68.2 | 171.6 | -178.5 | 0 | 0 | 112.4 | E214 Q215 Q220 K221 T222 | E214-E218 PolarHBondContact O-N 2.59Å; Q215-E218 PolarHBondContact O-N 3.21Å; E218-Q220 PolarHBondContact O-N 2.59Å; E218-K221 PolarHBondContact O-N 3.14Å; E218-K221 VanDerWaalsContact O-N 3.1Å; E218-T222 WeakPolarHBondContact O-CG2 3.31Å; E218-T222 PolarHBondContact O-N 3.37Å; E218-T222 PolarHBondContact O-OG1 2.85Å |
| 219 | D | 95 | Very high | 93.3 | Very high | 24 Ų | 24 | 81.7 Ų | 81.7 | 13% | 0.128 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -58.2 | -36.2 | 176 | -73.6 | -32.8 | 0 | 0 | 0 | 111.6 | Y186 Q215 T222 V223 | Y186-D219 VanDerWaalsContact CE2-OD2 3.31Å; Y186-D219 WeakPolarHBondContact CE2-OD2 3.36Å; Y186-D219 VanDerWaalsContact CZ-OD2 3.26Å; Y186-D219 PolarHBondContact OH-OD2 3.21Å; Q215-D219 WeakPolarHBondContact O-CB 3.37Å; Q215-D219 VanDerWaalsContact O-CG 3.24Å; Q215-D219 PolarHBondContact O-N 2.71Å; D219-T222 WeakPolarHBondContact CA-OG1 3.45Å; D219-T222 PolarHBondContact O-OG1 2.99Å; D219-V223 WeakPolarHBondContact O-CG2 3.46Å; D219-V223 PolarHBondContact O-N 3.41Å |
| 220 | Q | 96.2 | Very high | 94.1 | Very high | 12 Ų | 12 | 74.9 Ų | 74.9 | 6% | 0.056 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -67.6 | -48.4 | 174.5 | -173.7 | 69 | 43.1 | 0 | 0 | 111.7 | T146 L149 L156 R216 K217 E218 T222 V223 D224 | T146-Q220 PolarHBondContact OG1-NE2 3.01Å; L149-Q220 HydrophobicContact CB-CG 4.11Å; L149-Q220 HydrophobicContact CD2-CG 4.2Å; L156-Q220 VanDerWaalsContact CG-OE1 3.24Å; R216-Q220 VanDerWaalsContact O-CB 3.32Å; R216-Q220 WeakPolarHBondContact O-CB 3.32Å; R216-Q220 PolarHBondContact O-N 3.26Å; R216-Q220 VanDerWaalsContact O-N 3.16Å; K217-Q220 PolarHBondContact O-N 2.82Å; E218-Q220 PolarHBondContact O-N 2.59Å; Q220-T222 VanDerWaalsContact C-N 3.29Å; Q220-T222 PolarHBondContact O-N 3.02Å; Q220-V223 PolarHBondContact O-N 3.22Å; Q220-D224 PolarHBondContact NE2-OD1 2.82Å; Q220-D224 PolarHBondContact NE2-OD2 3.19Å; Q220-D224 WeakPolarHBondContact O-CB 3.38Å; Q220-D224 PolarHBondContact O-N 2.8Å |
| 221 | K | 95.3 | Very high | 94.6 | Very high | 153 Ų | 153 | 67.9 Ų | 67.9 | 67% | 0.665 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -58.9 | -42.1 | -179.8 | -75.8 | 174.6 | -178.6 | -176.9 | 0 | 111.5 | K217 E218 S225 | K217-K221 VanDerWaalsContact O-CG 3.31Å; K217-K221 WeakPolarHBondContact O-CG 3.46Å; K217-K221 PolarHBondContact O-N 3.09Å; E218-K221 PolarHBondContact O-N 3.14Å; E218-K221 VanDerWaalsContact O-N 3.1Å; K221-S225 VanDerWaalsContact O-CB 3.28Å; K221-S225 WeakPolarHBondContact O-CB 3.3Å; K221-S225 PolarHBondContact O-N 3.07Å; K221-S225 PolarHBondContact O-OG 3.31Å |
| 222 | T | 95.2 | Very high | 95 | Very high | 63 Ų | 63 | 66.2 Ų | 66.2 | 39% | 0.387 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -67.4 | -36.7 | -179.5 | 54.4 | 0 | 0 | 0 | 0 | 113.3 | E218 D219 Q220 S225 Q226 | E218-T222 WeakPolarHBondContact O-CG2 3.31Å; E218-T222 PolarHBondContact O-N 3.37Å; E218-T222 PolarHBondContact O-OG1 2.85Å; D219-T222 WeakPolarHBondContact CA-OG1 3.45Å; D219-T222 PolarHBondContact O-OG1 2.99Å; Q220-T222 VanDerWaalsContact C-N 3.29Å; Q220-T222 PolarHBondContact O-N 3.02Å; T222-S225 PolarHBondContact O-OG 3.22Å; T222-Q226 PolarHBondContact O-NE2 2.9Å |
| 223 | V | 95.9 | Very high | 95.2 | Very high | 2 Ų | 2 | 69.4 Ų | 69.4 | 1% | 0.012 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -74.4 | -44.5 | 175 | 174.2 | 0 | 0 | 0 | 0 | 110.9 | L135 T146 L156 M176 D219 Q220 S225 Q226 L227 | L135-V223 HydrophobicContact CD1-CG1 4.13Å; T146-V223 HydrophobicContact CG2-CG1 4.42Å; L156-V223 HydrophobicContact CD1-CB 4.37Å; L156-V223 HydrophobicContact CD1-CG2 4.1Å; L156-V223 HydrophobicContact CD2-CG1 4.35Å; M176-V223 HydrophobicContact SD-CG1 4.44Å; D219-V223 WeakPolarHBondContact O-CG2 3.46Å; D219-V223 PolarHBondContact O-N 3.41Å; Q220-V223 PolarHBondContact O-N 3.22Å; V223-S225 VanDerWaalsContact C-N 3.35Å; V223-S225 PolarHBondContact O-N 3.15Å; V223-Q226 PolarHBondContact O-N 3.12Å; V223-L227 WeakPolarHBondContact O-CB 3.34Å; V223-L227 PolarHBondContact O-N 3.5Å; V223-L227 VanDerWaalsContact O-N 3.11Å |
| 224 | D | 95.7 | Very high | 95.3 | Very high | 12 Ų | 12 | 69.7 Ų | 69.7 | 6% | 0.064 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -68 | -34 | -178.2 | -74.8 | -10 | 0 | 0 | 0 | 112.2 | T146 L149 Q220 Q226 L227 L228 | T146-D224 PolarHBondContact OG1-OD1 3.05Å; L149-D224 WeakPolarHBondContact CB-OD2 3.27Å; L149-D224 PolarHBondContact N-OD2 2.95Å; Q220-D224 PolarHBondContact NE2-OD1 2.82Å; Q220-D224 PolarHBondContact NE2-OD2 3.19Å; Q220-D224 WeakPolarHBondContact O-CB 3.38Å; Q220-D224 PolarHBondContact O-N 2.8Å; D224-Q226 VanDerWaalsContact C-N 3.27Å; D224-Q226 PolarHBondContact O-N 3.21Å; D224-L227 PolarHBondContact O-N 3.26Å; D224-L228 HydrophobicContact CB-CD1 4.39Å; D224-L228 WeakPolarHBondContact O-CB 3.46Å; D224-L228 WeakPolarHBondContact O-CG 3.39Å; D224-L228 PolarHBondContact O-N 3.08Å |
| 225 | S | 95.6 | Very high | 95.3 | Very high | 73 Ų | 73 | 68.1 Ų | 68.1 | 51% | 0.51 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.1 | -34.3 | 176.9 | 66.7 | 0 | 0 | 0 | 0 | 112.6 | K221 T222 V223 P229 | K221-S225 VanDerWaalsContact O-CB 3.28Å; K221-S225 WeakPolarHBondContact O-CB 3.3Å; K221-S225 PolarHBondContact O-N 3.07Å; K221-S225 PolarHBondContact O-OG 3.31Å; T222-S225 PolarHBondContact O-OG 3.22Å; V223-S225 VanDerWaalsContact C-N 3.35Å; V223-S225 PolarHBondContact O-N 3.15Å; S225-P229 WeakPolarHBondContact O-CD 3.31Å; S225-P229 WeakPolarHBondContact O-CG 3.39Å |
| 226 | Q | 95.8 | Very high | 95.4 | Very high | 72 Ų | 72 | 71.4 Ų | 71.4 | 34% | 0.336 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -78.2 | -35.6 | 175.5 | -63.9 | 176.4 | 37.3 | 0 | 0 | 112 | M176 T222 V223 D224 | M176-Q226 HydrophobicContact CG-CB 3.9Å; M176-Q226 HydrophobicContact SD-CB 4.37Å; T222-Q226 PolarHBondContact O-NE2 2.9Å; V223-Q226 PolarHBondContact O-N 3.12Å; D224-Q226 VanDerWaalsContact C-N 3.27Å; D224-Q226 PolarHBondContact O-N 3.21Å |
| 227 | L | 95.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -83 | -34.7 | -173.4 | -173.2 | 59.9 | 0 | 0 | 0 | 113.6 | V133 T146 P148 V171 I173 M176 V223 D224 L230 I231 | V133-L227 HydrophobicContact CB-CD2 4.24Å; V133-L227 HydrophobicContact CG1-CD1 4.44Å; V133-L227 HydrophobicContact CG1-CD2 4.39Å; V133-L227 HydrophobicContact CG2-CD2 4.4Å; T146-L227 HydrophobicContact CG2-CD2 3.42Å; T146-L227 VanDerWaalsContact CG2-CD2 3.42Å; P148-L227 HydrophobicContact CG-CD2 4Å; P148-L227 HydrophobicContact CG-CG 4.46Å; V171-L227 HydrophobicContact CG1-CD1 4.38Å; I173-L227 HydrophobicContact CD1-CD1 3.79Å; I173-L227 HydrophobicContact CG1-CD1 4.2Å; M176-L227 HydrophobicContact SD-CB 4.35Å; V223-L227 WeakPolarHBondContact O-CB 3.34Å; V223-L227 PolarHBondContact O-N 3.5Å; V223-L227 VanDerWaalsContact O-N 3.11Å; D224-L227 PolarHBondContact O-N 3.26Å; L227-L230 HydrophobicContact CD1-CD1 4.49Å; L227-L230 WeakPolarHBondContact O-CB 3.12Å; L227-L230 PolarHBondContact O-N 3.33Å; L227-I231 HydrophobicContact CD1-CD1 4.36Å; L227-I231 HydrophobicContact CD1-CG1 4.5Å; L227-I231 HydrophobicContact CD2-CD1 4.26Å; L227-I231 HydrophobicContact CG-CD1 3.77Å; L227-I231 HydrophobicContact CG-CG1 4.36Å; L227-I231 WeakPolarHBondContact O-CG1 3.5Å; L227-I231 PolarHBondContact O-N 3.33Å |
| 228 | L | 95.6 | Very high | 95.5 | Very high | 45 Ų | 45 | 68.6 Ų | 68.6 | 24% | 0.236 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -61.4 | -41.2 | -177.9 | -75.5 | 169.2 | 0 | 0 | 0 | 114 | P148 L151 D224 L230 I231 K232 | P148-L228 HydrophobicContact CB-CD2 3.76Å; P148-L228 HydrophobicContact CB-CG 4.35Å; P148-L228 HydrophobicContact CG-CD2 4.41Å; L151-L228 HydrophobicContact CD1-CD2 4.21Å; L151-L228 HydrophobicContact CG-CD2 4.27Å; D224-L228 HydrophobicContact CB-CD1 4.39Å; D224-L228 WeakPolarHBondContact O-CB 3.46Å; D224-L228 WeakPolarHBondContact O-CG 3.39Å; D224-L228 PolarHBondContact O-N 3.08Å; L228-L230 VanDerWaalsContact C-N 3.32Å; L228-L230 PolarHBondContact O-N 2.84Å; L228-I231 PolarHBondContact O-N 3.14Å; L228-K232 WeakPolarHBondContact O-CB 3.45Å; L228-K232 VanDerWaalsContact O-CG 3.3Å; L228-K232 WeakPolarHBondContact O-CG 3.31Å; L228-K232 PolarHBondContact O-N 3.01Å |
| 229 | P | 95.5 | Very high | 95.6 | Very high | 63 Ų | 63 | 65 Ų | 65 | 41% | 0.409 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.6 | -39.4 | 173.1 | -24.9 | 35 | 0 | 0 | 0 | 112.8 | S225 K232 K233 | S225-P229 WeakPolarHBondContact O-CD 3.31Å; S225-P229 WeakPolarHBondContact O-CG 3.39Å; P229-K232 WeakPolarHBondContact O-CB 3.3Å; P229-K232 PolarHBondContact O-N 2.85Å; P229-K233 WeakPolarHBondContact O-CG 3.41Å; P229-K233 PolarHBondContact O-N 2.68Å |
| 230 | L | 95.6 | Very high | 95.7 | Very high | 45 Ų | 45 | 67.1 Ų | 67.1 | 24% | 0.236 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -65.6 | -41.5 | 178.6 | -60.1 | 170.3 | 0 | 0 | 0 | 111.2 | V171 D172 L227 L228 K232 K233 | V171-L230 HydrophobicContact CG1-CB 3.96Å; D172-L230 WeakPolarHBondContact O-CD1 3.39Å; L227-L230 HydrophobicContact CD1-CD1 4.49Å; L227-L230 WeakPolarHBondContact O-CB 3.12Å; L227-L230 PolarHBondContact O-N 3.33Å; L228-L230 VanDerWaalsContact C-N 3.32Å; L228-L230 PolarHBondContact O-N 2.84Å; L230-K232 VanDerWaalsContact C-N 3.32Å; L230-K232 PolarHBondContact O-N 3.37Å; L230-K233 PolarHBondContact O-N 3.27Å |
| 231 | I | 95.4 | Very high | 95.8 | Very high | 1 Ų | 1 | 66.6 Ų | 66.6 | 1% | 0.005 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -67 | -35 | 175.3 | -67.8 | 167.1 | 0 | 0 | 0 | 111.6 | P148 L151 L227 L228 K233 V234 L237 K238 L241 | P148-I231 HydrophobicContact CG-CD1 3.39Å; L151-I231 HydrophobicContact CD1-CG2 4.36Å; L227-I231 HydrophobicContact CD1-CD1 4.36Å; L227-I231 HydrophobicContact CD1-CG1 4.5Å; L227-I231 HydrophobicContact CD2-CD1 4.26Å; L227-I231 HydrophobicContact CG-CD1 3.77Å; L227-I231 HydrophobicContact CG-CG1 4.36Å; L227-I231 WeakPolarHBondContact O-CG1 3.5Å; L227-I231 PolarHBondContact O-N 3.33Å; L228-I231 PolarHBondContact O-N 3.14Å; I231-K233 VanDerWaalsContact C-N 3.29Å; I231-K233 PolarHBondContact O-N 3.44Å; I231-V234 PolarHBondContact O-N 2.72Å; I231-L237 HydrophobicContact CB-CD2 4.38Å; I231-L237 HydrophobicContact CG1-CD2 4.27Å; I231-L237 HydrophobicContact CG2-CB 4.31Å; I231-L237 HydrophobicContact CG2-CD2 4.08Å; I231-L237 HydrophobicContact CG2-CG 4.09Å; I231-K238 HydrophobicContact CG2-CG 4.01Å; I231-L241 HydrophobicContact CD1-CD1 3.61Å; I231-L241 HydrophobicContact CG1-CD1 4.1Å; I231-L241 HydrophobicContact CG2-CD1 3.93Å |
| 232 | K | 95.1 | Very high | 95.9 | Very high | 134 Ų | 134 | 68.3 Ų | 68.3 | 58% | 0.583 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -63.3 | -33.2 | 176.4 | -82.8 | 170.8 | -179.9 | -169.8 | 0 | 112.7 | L228 P229 L230 V234 | L228-K232 WeakPolarHBondContact O-CB 3.45Å; L228-K232 VanDerWaalsContact O-CG 3.3Å; L228-K232 WeakPolarHBondContact O-CG 3.31Å; L228-K232 PolarHBondContact O-N 3.01Å; P229-K232 WeakPolarHBondContact O-CB 3.3Å; P229-K232 PolarHBondContact O-N 2.85Å; L230-K232 VanDerWaalsContact C-N 3.32Å; L230-K232 PolarHBondContact O-N 3.37Å; K232-V234 VanDerWaalsContact C-N 3.29Å; K232-V234 PolarHBondContact O-N 2.85Å |
| 233 | K | 94.9 | Very high | 96 | Very high | 164 Ų | 164 | 67.8 Ų | 67.8 | 71% | 0.713 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -66.8 | -29.6 | 179.2 | -70.4 | 176.3 | -178.7 | -172.2 | 0 | 112.7 | P229 L230 I231 P235 | P229-K233 WeakPolarHBondContact O-CG 3.41Å; P229-K233 PolarHBondContact O-N 2.68Å; L230-K233 PolarHBondContact O-N 3.27Å; I231-K233 VanDerWaalsContact C-N 3.29Å; I231-K233 PolarHBondContact O-N 3.44Å; K233-P235 WeakPolarHBondContact O-CD 3.49Å |
| 234 | V | 94.5 | Very high | 96 | Very high | 61 Ų | 61 | 71.1 Ų | 71.1 | 37% | 0.37 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -87.5 | 119.6 | 179 | -175.3 | 0 | 0 | 0 | 0 | 109.4 | I231 K232 Q236 L237 | I231-V234 PolarHBondContact O-N 2.72Å; K232-V234 VanDerWaalsContact C-N 3.29Å; K232-V234 PolarHBondContact O-N 2.85Å; V234-Q236 PolarHBondContact O-N 2.88Å; V234-L237 HydrophobicContact CB-CB 3.87Å; V234-L237 HydrophobicContact CB-CD2 3.8Å; V234-L237 HydrophobicContact CB-CG 4.46Å; V234-L237 HydrophobicContact CG1-CB 3.89Å; V234-L237 HydrophobicContact CG1-CD2 4.12Å; V234-L237 HydrophobicContact CG1-CG 4.5Å; V234-L237 HydrophobicContact CG2-CD2 4.1Å; V234-L237 PolarHBondContact O-N 2.91Å |
| 235 | P | 95.6 | Very high | 96.1 | Very high | 111 Ų | 111 | 72.7 Ų | 72.7 | 72% | 0.721 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | 139.7 | 178.7 | -25.6 | 34.6 | 0 | 0 | 0 | 111.9 | K233 L237 | K233-P235 WeakPolarHBondContact O-CD 3.49Å; P235-L237 PolarHBondContact O-N 2.8Å |
| 236 | Q | 95.3 | Very high | 96.1 | Very high | 180 Ų | 180 | 74.1 Ų | 74.1 | 84% | 0.841 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.3 | -3.4 | 175.2 | -54.8 | 179.1 | -4.7 | 0 | 0 | 116.9 | V234 K238 G239 Y240 | V234-Q236 PolarHBondContact O-N 2.88Å; Q236-K238 VanDerWaalsContact C-N 3.26Å; Q236-K238 PolarHBondContact O-N 3.28Å; Q236-G239 PolarHBondContact O-N 3.04Å; Q236-G239 VanDerWaalsContact O-N 3.08Å; Q236-Y240 PolarHBondContact O-N 2.8Å; Q236-Y240 VanDerWaalsContact O-N 3.11Å |
| 237 | L | 96.7 | Very high | 96.1 | Very high | 6 Ų | 6 | 74.8 Ų | 74.8 | 3% | 0.031 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -64.1 | -29.9 | -175.8 | -173.2 | 63.2 | 0 | 0 | 0 | 113.1 | T169 V171 I231 V234 P235 G239 Y240 L241 | T169-L237 HydrophobicContact CG2-CD1 4.01Å; V171-L237 HydrophobicContact CG2-CD2 3.58Å; I231-L237 HydrophobicContact CB-CD2 4.38Å; I231-L237 HydrophobicContact CG1-CD2 4.27Å; I231-L237 HydrophobicContact CG2-CB 4.31Å; I231-L237 HydrophobicContact CG2-CD2 4.08Å; I231-L237 HydrophobicContact CG2-CG 4.09Å; V234-L237 HydrophobicContact CB-CB 3.87Å; V234-L237 HydrophobicContact CB-CD2 3.8Å; V234-L237 HydrophobicContact CB-CG 4.46Å; V234-L237 HydrophobicContact CG1-CB 3.89Å; V234-L237 HydrophobicContact CG1-CD2 4.12Å; V234-L237 HydrophobicContact CG1-CG 4.5Å; V234-L237 HydrophobicContact CG2-CD2 4.1Å; V234-L237 PolarHBondContact O-N 2.91Å; P235-L237 PolarHBondContact O-N 2.8Å; L237-G239 PolarHBondContact O-N 3.47Å; L237-Y240 HydrophobicContact CD1-CD1 3.89Å; L237-Y240 PolarHBondContact O-N 3.03Å; L237-L241 HydrophobicContact CD1-CG 4.36Å; L237-L241 HydrophobicContact CG-CD1 4.23Å; L237-L241 HydrophobicContact CG-CG 4.34Å; L237-L241 WeakPolarHBondContact O-CG 3.14Å; L237-L241 PolarHBondContact O-N 2.83Å |
| 238 | K | 96.4 | Very high | 96.1 | Very high | 99 Ų | 99 | 78.4 Ų | 78.4 | 43% | 0.43 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -58.9 | -46.1 | 173.3 | -67.9 | 179.9 | -173.6 | 164.8 | 0 | 112.3 | I231 Q236 L241 R242 | I231-K238 HydrophobicContact CG2-CG 4.01Å; Q236-K238 VanDerWaalsContact C-N 3.26Å; Q236-K238 PolarHBondContact O-N 3.28Å; K238-L241 PolarHBondContact O-N 3.49Å; K238-R242 WeakPolarHBondContact O-CB 3.34Å; K238-R242 PolarHBondContact O-N 2.81Å; K238-R242 VanDerWaalsContact O-N 3.08Å |
| 239 | G | 97.3 | Very high | 96.2 | Very high | 46 Ų | 46 | 84.2 Ų | 84.2 | 47% | 0.474 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -68.1 | -40.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q236 L237 L241 R242 S243 | Q236-G239 PolarHBondContact O-N 3.04Å; Q236-G239 VanDerWaalsContact O-N 3.08Å; L237-G239 PolarHBondContact O-N 3.47Å; G239-L241 PolarHBondContact O-N 2.79Å; G239-R242 PolarHBondContact O-N 3.37Å; G239-S243 PolarHBondContact O-N 3.39Å; G239-S243 PolarHBondContact O-OG 3.4Å |
| 240 | Y | 97.8 | Very high | 96.2 | Very high | 68 Ų | 68 | 84 Ų | 84 | 27% | 0.267 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -58.6 | -44.7 | 174.2 | -176.3 | -106 | 0 | 0 | 0 | 112.6 | V119 R131 Q236 L237 S243 | V119-Y240 HydrophobicContact CG1-CE1 4.01Å; R131-Y240 WeakPolarHBondContact CD-O 3.24Å; R131-Y240 HydrophobicContact CG-CE1 4.43Å; R131-Y240 PolarHBondContact NH1-O 3.02Å; Q236-Y240 PolarHBondContact O-N 2.8Å; Q236-Y240 VanDerWaalsContact O-N 3.11Å; L237-Y240 HydrophobicContact CD1-CD1 3.89Å; L237-Y240 PolarHBondContact O-N 3.03Å; Y240-S243 PolarHBondContact O-OG 3.18Å |
| 241 | L | 97.5 | Very high | 96.2 | Very high | 1 Ų | 1 | 84.4 Ų | 84.4 | 1% | 0.005 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -73.5 | -26.8 | 178.8 | -70.4 | 176.3 | 0 | 0 | 0 | 114 | V119 R131 V133 L151 N152 I231 L237 K238 G239 | V119-L241 HydrophobicContact CG1-CD2 3.84Å; V119-L241 HydrophobicContact CG2-CD2 4.24Å; R131-L241 HydrophobicContact CB-CD2 4.11Å; V133-L241 HydrophobicContact CG2-CD1 4.31Å; V133-L241 HydrophobicContact CG2-CD2 4.34Å; L151-L241 HydrophobicContact CD1-CB 4.39Å; L151-L241 HydrophobicContact CD1-CD1 4.29Å; N152-L241 WeakPolarHBondContact CB-O 3.16Å; N152-L241 PolarHBondContact ND2-O 3.4Å; I231-L241 HydrophobicContact CD1-CD1 3.61Å; I231-L241 HydrophobicContact CG1-CD1 4.1Å; I231-L241 HydrophobicContact CG2-CD1 3.93Å; L237-L241 HydrophobicContact CD1-CG 4.36Å; L237-L241 HydrophobicContact CG-CD1 4.23Å; L237-L241 HydrophobicContact CG-CG 4.34Å; L237-L241 WeakPolarHBondContact O-CG 3.14Å; L237-L241 PolarHBondContact O-N 2.83Å; K238-L241 PolarHBondContact O-N 3.49Å; G239-L241 PolarHBondContact O-N 2.79Å |
| 242 | R | 97.2 | Very high | 96.2 | Very high | 189 Ų | 189 | 90.5 Ų | 90.5 | 71% | 0.713 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -77.5 | -33 | 177.5 | -175.3 | 170 | 176.1 | 175.9 | -1.9 | 112.2 | K238 G239 | K238-R242 WeakPolarHBondContact O-CB 3.34Å; K238-R242 PolarHBondContact O-N 2.81Å; K238-R242 VanDerWaalsContact O-N 3.08Å; G239-R242 PolarHBondContact O-N 3.37Å |
| 243 | S | 96.9 | Very high | 96.2 | Very high | 51 Ų | 51 | 87.2 Ų | 87.2 | 36% | 0.357 | 48% | 0.479 | S | S | . | . | S | Bend | trans | -73.6 | 149.5 | 178 | 48.8 | 0 | 0 | 0 | 0 | 112.2 | R131 G239 Y240 | R131-S243 PolarHBondContact NH1-OG 2.81Å; G239-S243 PolarHBondContact O-N 3.39Å; G239-S243 PolarHBondContact O-OG 3.4Å; Y240-S243 PolarHBondContact O-OG 3.18Å |
| 244 | S | 96.4 | Very high | 96.3 | Very high | 73 Ų | 73 | 86.5 Ų | 86.5 | 51% | 0.51 | 48% | 0.477 | S | S | . | . | B | Isolated β-bridge | trans | -95.3 | 142.9 | 177.1 | -59.7 | 0 | 0 | 0 | 0 | 109.9 | ||
| 245 | F | 97.2 | Very high | 96.4 | Very high | 45 Ų | 45 | 90.9 Ų | 90.9 | 20% | 0.197 | 49% | 0.491 | C | S | . | . | P | Polyproline II helix | trans | -76.8 | 129.3 | 168.7 | 176.8 | -103.2 | 0 | 0 | 0 | 110.2 | V121 G129 L247 L256 F258 | V121-F245 HydrophobicContact CG1-CB 3.65Å; V121-F245 HydrophobicContact CG1-CD1 3.86Å; V121-F245 HydrophobicContact CG1-CG 3.95Å; V121-F245 HydrophobicContact CG2-CB 4.46Å; G129-F245 WeakPolarHBondContact CA-O 3.44Å; G129-F245 WeakPolarHBondContact O-CB 2.91Å; G129-F245 PolarHBondContact O-N 3.44Å; F245-L247 HydrophobicContact CE1-CD2 4.37Å; F245-L247 HydrophobicContact CE1-CG 4.45Å; F245-L247 HydrophobicContact CE2-CD2 4.41Å; F245-L247 HydrophobicContact CZ-CD2 3.68Å; F245-L247 HydrophobicContact CZ-CG 4.22Å; F245-L256 HydrophobicContact CE2-CD1 4.48Å; F245-L256 HydrophobicContact CZ-CD1 4.46Å; F245-F258 HydrophobicContact CE1-CE1 4.43Å; F245-F258 AromaticContact CE2-CE1 3.7Å; F245-F258 HydrophobicContact CE2-CE1 3.7Å; F245-F258 HydrophobicContact CE2-CZ 4.41Å; F245-F258 AromaticContact CZ-CE1 3.58Å; F245-F258 HydrophobicContact CZ-CE1 3.58Å; F245-F258 AromaticContact CZ-CZ 3.94Å; F245-F258 HydrophobicContact CZ-CZ 3.94Å |
| 246 | C | 96.2 | Very high | 96.4 | Very high | 103 Ų | 103 | 88.5 Ų | 88.5 | 70% | 0.696 | 47% | 0.473 | S | S | * | . | trans | -140.5 | 161.7 | 167.9 | 55.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 247 | L | 96.3 | Very high | 96.5 | Very high | 86 Ų | 86 | 86.7 Ų | 86.7 | 45% | 0.45 | 47% | 0.473 | S | S | . | . | P | Polyproline II helix | trans | -97.8 | 129.1 | 167.9 | -62.9 | 170.7 | 0 | 0 | 0 | 107.3 | F245 V251 P253 L256 | F245-L247 HydrophobicContact CE1-CD2 4.37Å; F245-L247 HydrophobicContact CE1-CG 4.45Å; F245-L247 HydrophobicContact CE2-CD2 4.41Å; F245-L247 HydrophobicContact CZ-CD2 3.68Å; F245-L247 HydrophobicContact CZ-CG 4.22Å; L247-V251 HydrophobicContact CD2-CG1 4.31Å; L247-P253 HydrophobicContact CD1-CG 3.5Å; L247-P253 HydrophobicContact CD2-CG 4Å; L247-P253 HydrophobicContact CG-CG 4.42Å; L247-L256 HydrophobicContact CD2-CD1 3.87Å |
| 248 | S | 95.6 | Very high | 96.3 | Very high | 75 Ų | 75 | 89.8 Ų | 89.8 | 52% | 0.524 | 49% | 0.487 | S | S | . | . | P | Polyproline II helix | trans | -93.7 | 165.3 | 169.4 | 55.9 | 0 | 0 | 0 | 0 | 110.2 | G250 V251 | S248-G250 PolarHBondContact O-N 3.47Å; S248-V251 PolarHBondContact O-N 2.77Å; S248-V251 VanDerWaalsContact O-N 3.12Å; S248-V251 VanDerWaalsContact OG-CG2 3.24Å; S248-V251 WeakPolarHBondContact OG-CG2 3.36Å |
| 249 | N | 96.2 | Very high | 96.3 | Very high | 167 Ų | 167 | 89.4 Ų | 89.4 | 89% | 0.893 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | 138.6 | 173.8 | -65.9 | -13.1 | 0 | 0 | 0 | 110.2 | V251 | N249-V251 VanDerWaalsContact C-N 3.27Å; N249-V251 PolarHBondContact O-N 2.85Å |
| 250 | G | 95.3 | Very high | 96.3 | Very high | 59 Ų | 59 | 91.6 Ų | 91.6 | 61% | 0.608 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.5 | -8.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | S248 Y252 | S248-G250 PolarHBondContact O-N 3.47Å; G250-Y252 WeakPolarHBondContact O-CD2 3.48Å |
| 251 | V | 95.9 | Very high | 96.2 | Very high | 53 Ų | 53 | 92.9 Ų | 92.9 | 32% | 0.321 | 50% | 0.503 | S | S | . | . | trans | -99.4 | 109.9 | 178.4 | -178.2 | 0 | 0 | 0 | 0 | 110.7 | L247 S248 N249 L256 | L247-V251 HydrophobicContact CD2-CG1 4.31Å; S248-V251 PolarHBondContact O-N 2.77Å; S248-V251 VanDerWaalsContact O-N 3.12Å; S248-V251 VanDerWaalsContact OG-CG2 3.24Å; S248-V251 WeakPolarHBondContact OG-CG2 3.36Å; N249-V251 VanDerWaalsContact C-N 3.27Å; N249-V251 PolarHBondContact O-N 2.85Å; V251-L256 HydrophobicContact CG1-CD1 3.73Å; V251-L256 HydrophobicContact CG1-CD2 3.67Å; V251-L256 HydrophobicContact CG1-CG 3.89Å | ||
| 252 | Y | 96.5 | Very high | 96.1 | Very high | 130 Ų | 130 | 98.4 Ų | 98.4 | 51% | 0.51 | 53% | 0.532 | S | S | . | . | trans | -102.9 | 128.2 | -177.5 | -57.7 | -79.9 | 0 | 0 | 0 | 112.3 | G250 H254 K255 L256 | G250-Y252 WeakPolarHBondContact O-CD2 3.48Å; Y252-H254 WeakPolarHBondContact CB-CE1 3.32Å; Y252-H254 AromaticContact CG-CE1 3.91Å; Y252-H254 PolarHBondContact O-N 2.83Å; Y252-H254 VanDerWaalsContact O-N 3.11Å; Y252-K255 PolarHBondContact O-N 3.29Å; Y252-L256 PolarHBondContact O-N 3.06Å | ||
| 253 | P | 95.1 | Very high | 96 | Very high | 64 Ų | 64 | 92.7 Ų | 92.7 | 42% | 0.416 | 52% | 0.521 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -29.1 | -175.9 | -28.8 | 35.6 | 0 | 0 | 0 | 115.9 | L247 K255 L256 | L247-P253 HydrophobicContact CD1-CG 3.5Å; L247-P253 HydrophobicContact CD2-CG 4Å; L247-P253 HydrophobicContact CG-CG 4.42Å; P253-K255 VanDerWaalsContact C-N 3.25Å; P253-K255 PolarHBondContact O-N 3.03Å; P253-L256 PolarHBondContact O-N 3.37Å |
| 254 | H | 96.6 | Very high | 96 | Very high | 149 Ų | 149 | 95.5 Ų | 95.5 | 69% | 0.69 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -19.5 | 178.8 | 65.1 | -94.1 | 0 | 0 | 0 | 113 | Y252 | Y252-H254 WeakPolarHBondContact CB-CE1 3.32Å; Y252-H254 AromaticContact CG-CE1 3.91Å; Y252-H254 PolarHBondContact O-N 2.83Å; Y252-H254 VanDerWaalsContact O-N 3.11Å |
| 255 | K | 96.6 | Very high | 96 | Very high | 153 Ų | 153 | 97.1 Ų | 97.1 | 67% | 0.665 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | -14.6 | 173.9 | -57.1 | -170.7 | 178 | -179.8 | 0 | 112.4 | Y252 P253 | Y252-K255 PolarHBondContact O-N 3.29Å; P253-K255 VanDerWaalsContact C-N 3.25Å; P253-K255 PolarHBondContact O-N 3.03Å |
| 256 | L | 96.1 | Very high | 95.9 | Very high | 62 Ų | 62 | 101.1 Ų | 101.1 | 33% | 0.325 | 56% | 0.559 | S | S | . | * | trans | -77.8 | 134.4 | -179.8 | -71 | -177.1 | 0 | 0 | 0 | 110.9 | F245 L247 V251 Y252 P253 F258 | F245-L256 HydrophobicContact CE2-CD1 4.48Å; F245-L256 HydrophobicContact CZ-CD1 4.46Å; L247-L256 HydrophobicContact CD2-CD1 3.87Å; V251-L256 HydrophobicContact CG1-CD1 3.73Å; V251-L256 HydrophobicContact CG1-CD2 3.67Å; V251-L256 HydrophobicContact CG1-CG 3.89Å; Y252-L256 PolarHBondContact O-N 3.06Å; P253-L256 PolarHBondContact O-N 3.37Å; L256-F258 HydrophobicContact CB-CD2 4.27Å; L256-F258 HydrophobicContact CB-CE1 4.49Å; L256-F258 HydrophobicContact CB-CE2 3.71Å; L256-F258 HydrophobicContact CB-CZ 3.86Å; L256-F258 HydrophobicContact CD1-CE1 4.09Å; L256-F258 HydrophobicContact CD1-CE2 4.35Å; L256-F258 HydrophobicContact CD1-CZ 3.65Å; L256-F258 HydrophobicContact CG-CZ 4.43Å | ||
| 257 | V | 95.8 | Very high | 95.8 | Very high | 141 Ų | 141 | 100.9 Ų | 100.9 | 86% | 0.855 | 55% | 0.548 | S | S | * | . | trans | -96.2 | 119.7 | 164.7 | -176.5 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 258 | F | 93.9 | Very high | 95.8 | Very high | 72 Ų | 72 | 102.3 Ų | 102.3 | 32% | 0.316 | 56% | 0.557 | S | S | . | * | trans | -94.3 | 0 | -179 | -69.9 | -79.8 | 0 | 0 | 0 | 111.3 | I165 T167 A168 F245 L256 | I165-F258 HydrophobicContact CD1-CD1 4.46Å; I165-F258 HydrophobicContact CD1-CE1 4.04Å; I165-F258 HydrophobicContact CD1-CZ 4.09Å; I165-F258 HydrophobicContact CG2-CB 3.68Å; I165-F258 HydrophobicContact CG2-CD1 3.71Å; I165-F258 HydrophobicContact CG2-CD2 4.08Å; I165-F258 HydrophobicContact CG2-CE1 4.32Å; I165-F258 HydrophobicContact CG2-CG 3.55Å; T167-F258 WeakPolarHBondContact CA-OXT 3.18Å; T167-F258 WeakPolarHBondContact CB-OXT 3.45Å; A168-F258 VanDerWaalsContact N-C 3.34Å; A168-F258 PolarHBondContact N-O 3.21Å; A168-F258 VanDerWaalsContact N-O 3.17Å; A168-F258 PolarHBondContact N-OXT 3.14Å; F245-F258 HydrophobicContact CE1-CE1 4.43Å; F245-F258 AromaticContact CE2-CE1 3.7Å; F245-F258 HydrophobicContact CE2-CE1 3.7Å; F245-F258 HydrophobicContact CE2-CZ 4.41Å; F245-F258 AromaticContact CZ-CE1 3.58Å; F245-F258 HydrophobicContact CZ-CE1 3.58Å; F245-F258 AromaticContact CZ-CZ 3.94Å; F245-F258 HydrophobicContact CZ-CZ 3.94Å; L256-F258 HydrophobicContact CB-CD2 4.27Å; L256-F258 HydrophobicContact CB-CE1 4.49Å; L256-F258 HydrophobicContact CB-CE2 3.71Å; L256-F258 HydrophobicContact CB-CZ 3.86Å; L256-F258 HydrophobicContact CD1-CE1 4.09Å; L256-F258 HydrophobicContact CD1-CE2 4.35Å; L256-F258 HydrophobicContact CD1-CZ 3.65Å; L256-F258 HydrophobicContact CG-CZ 4.43Å |
Retrieved 258 of 258 residues in 1281.8 ms
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