| 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 | 42.1 | Very low | 48.4 | Very low | 247 Ų | 247 | 120.5 Ų | 120.5 | 100% | 1.217 | 61% | 0.611 | S | S | * | * | 0 | 120.7 | 0 | -71.6 | -179 | 177.7 | 0 | 0 | 106 | S3 | M1-S3 PolarHBondContact O-N 2.73Š| |||
| 2 | D | 51.4 | Low | 48.5 | Very low | 114 Ų | 114 | 118.3 Ų | 118.3 | 61% | 0.61 | 59% | 0.59 | S | S | * | * | trans | -72.4 | 116.3 | -153.4 | -171.3 | 2.7 | 0 | 0 | 0 | 113.4 | G4 I5 | D2-G4 PolarHBondContact O-N 3.01Å; D2-G4 PolarHBondContact OD1-N 3.5Å; D2-I5 PolarHBondContact O-N 3.5Å | ||
| 3 | S | 54.1 | Low | 48.5 | Very low | 84 Ų | 84 | 122.7 Ų | 122.7 | 59% | 0.587 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -59.5 | -17.9 | 175.3 | 29.6 | 0 | 0 | 0 | 0 | 113.7 | M1 I5 T6 D7 | M1-S3 PolarHBondContact O-N 2.73Å; S3-I5 PolarHBondContact O-N 2.77Å; S3-T6 PolarHBondContact O-OG1 2.91Å; S3-D7 PolarHBondContact O-N 3.15Å |
| 4 | G | 47.3 | Very low | 48.9 | Very low | 38 Ų | 38 | 130.1 Ų | 130.1 | 39% | 0.392 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -64.4 | -36.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | D2 T6 N8 | D2-G4 PolarHBondContact O-N 3.01Å; D2-G4 PolarHBondContact OD1-N 3.5Å; G4-T6 PolarHBondContact O-N 2.85Å; G4-N8 PolarHBondContact O-N 2.76Å |
| 5 | I | 47.6 | Very low | 50.4 | Low | 108 Ų | 108 | 130.8 Ų | 130.8 | 55% | 0.554 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -66 | -43.7 | -178.3 | -61.8 | 172.3 | 0 | 0 | 0 | 110.4 | D2 S3 D7 N8 I9 | D2-I5 PolarHBondContact O-N 3.5Å; S3-I5 PolarHBondContact O-N 2.77Å; I5-D7 PolarHBondContact O-N 3.05Å; I5-N8 PolarHBondContact O-N 3.28Å; I5-I9 HydrophobicContact CG2-CD1 3.75Å; I5-I9 WeakPolarHBondContact O-CD1 3.24Å; I5-I9 VanDerWaalsContact O-CG1 3.25Å; I5-I9 WeakPolarHBondContact O-CG1 3.21Å; I5-I9 PolarHBondContact O-N 3.48Å; I5-I9 VanDerWaalsContact O-N 3.13Å |
| 6 | T | 49.5 | Very low | 52.5 | Low | 79 Ų | 79 | 133.3 Ų | 133.3 | 49% | 0.485 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -68.1 | -35.7 | -177.7 | 40.6 | 0 | 0 | 0 | 0 | 113.5 | S3 G4 R10 | S3-T6 PolarHBondContact O-OG1 2.91Å; G4-T6 PolarHBondContact O-N 2.85Å; T6-R10 WeakPolarHBondContact O-CG 3.17Å; T6-R10 PolarHBondContact O-N 2.61Å; T6-R10 VanDerWaalsContact O-N 3.13Å |
| 7 | D | 51 | Low | 54.7 | Low | 91 Ų | 91 | 126.4 Ų | 126.4 | 49% | 0.487 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -73.7 | -36.9 | 179.2 | -82 | -19.1 | 0 | 0 | 0 | 111.9 | S3 I5 R10 R11 | S3-D7 PolarHBondContact O-N 3.15Å; I5-D7 PolarHBondContact O-N 3.05Å; D7-R10 PolarHBondContact O-N 3.25Å; D7-R11 PolarHBondContact O-N 3.34Å |
| 8 | N | 46.9 | Very low | 56.7 | Low | 84 Ų | 84 | 123.9 Ų | 123.9 | 45% | 0.449 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -65.5 | -43.5 | 175.3 | -121.5 | 5.7 | 0 | 0 | 0 | 111.7 | G4 I5 R10 R11 R12 | G4-N8 PolarHBondContact O-N 2.76Å; I5-N8 PolarHBondContact O-N 3.28Å; N8-R10 VanDerWaalsContact C-N 3.3Å; N8-R10 PolarHBondContact O-N 3.26Å; N8-R11 PolarHBondContact O-N 3.16Å; N8-R12 PolarHBondContact O-N 3.33Å; N8-R12 VanDerWaalsContact O-N 3.08Å |
| 9 | I | 48.8 | Very low | 58.6 | Low | 96 Ų | 96 | 121.9 Ų | 121.9 | 49% | 0.492 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -60.6 | -40.2 | 175.4 | -66.9 | 167.6 | 0 | 0 | 0 | 111.2 | I5 K13 | I5-I9 HydrophobicContact CG2-CD1 3.75Å; I5-I9 WeakPolarHBondContact O-CD1 3.24Å; I5-I9 VanDerWaalsContact O-CG1 3.25Å; I5-I9 WeakPolarHBondContact O-CG1 3.21Å; I5-I9 PolarHBondContact O-N 3.48Å; I5-I9 VanDerWaalsContact O-N 3.13Å; I9-K13 PolarHBondContact O-N 2.63Å; I9-K13 VanDerWaalsContact O-N 3.14Å |
| 10 | R | 45.6 | Very low | 60.2 | Low | 185 Ų | 185 | 117.9 Ų | 117.9 | 70% | 0.698 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -68.3 | -36.9 | 179.3 | -79.8 | 177.9 | 176.3 | -177.2 | -0.4 | 113.1 | T6 D7 N8 | T6-R10 WeakPolarHBondContact O-CG 3.17Å; T6-R10 PolarHBondContact O-N 2.61Å; T6-R10 VanDerWaalsContact O-N 3.13Å; D7-R10 PolarHBondContact O-N 3.25Å; N8-R10 VanDerWaalsContact C-N 3.3Å; N8-R10 PolarHBondContact O-N 3.26Å |
| 11 | R | 48.8 | Very low | 61.7 | Low | 199 Ų | 199 | 114.7 Ų | 114.7 | 75% | 0.751 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -66.9 | -47.9 | 175.5 | -76.7 | -176.7 | 176.5 | 164.2 | -0 | 111.5 | D7 N8 K13 R14 | D7-R11 PolarHBondContact O-N 3.34Å; N8-R11 PolarHBondContact O-N 3.16Å; R11-K13 VanDerWaalsContact C-N 3.29Å; R11-K13 PolarHBondContact O-N 3.37Å; R11-R14 PolarHBondContact O-N 3.31Å |
| 12 | R | 49.7 | Very low | 64.3 | Low | 95 Ų | 95 | 108 Ų | 108 | 36% | 0.358 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.7 | -35.8 | 179 | -70.8 | -176.8 | -176.2 | 157.2 | 4.9 | 112.9 | N8 R14 E84 D88 | N8-R12 PolarHBondContact O-N 3.33Å; N8-R12 VanDerWaalsContact O-N 3.08Å; R12-R14 PolarHBondContact O-N 2.8Å; R12-E84 IonicContact NH1-OE1 3.85Å; R12-D88 WeakPolarHBondContact CD-OD1 3.47Å; R12-D88 IonicContact CZ-OD1 3.98Å; R12-D88 IonicContact CZ-OD2 2.82Å; R12-D88 VanDerWaalsContact NE-CG 3.33Å; R12-D88 IonicContact NE-OD1 3.29Å; R12-D88 PolarHBondContact NE-OD1 3.36Å; R12-D88 IonicContact NE-OD2 3.07Å; R12-D88 PolarHBondContact NE-OD2 2.8Å; R12-D88 IonicContact NH1-OD2 3.99Å; R12-D88 IonicContact NH2-OD2 3.68Å; R12-D88 PolarHBondContact NH2-OD2 3.21Å |
| 13 | K | 48.2 | Very low | 66.4 | Low | 175 Ų | 175 | 107.1 Ų | 107.1 | 76% | 0.761 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -13 | -179.4 | -120.7 | -175.7 | -177.9 | -176.2 | 0 | 115.6 | I9 R11 | I9-K13 PolarHBondContact O-N 2.63Å; I9-K13 VanDerWaalsContact O-N 3.14Å; R11-K13 VanDerWaalsContact C-N 3.29Å; R11-K13 PolarHBondContact O-N 3.37Å |
| 14 | R | 54.7 | Low | 68.3 | Low | 226 Ų | 226 | 107.3 Ų | 107.3 | 85% | 0.853 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | -15.8 | -173.4 | -89.2 | -174.8 | 159 | -170.8 | -5.6 | 115 | R11 R12 | R11-R14 PolarHBondContact O-N 3.31Å; R12-R14 PolarHBondContact O-N 2.8Å |
| 15 | R | 70.3 | Confident | 70.7 | Confident | 141 Ų | 141 | 105.5 Ų | 105.5 | 53% | 0.532 | 50% | 0.5 | S | S | . | . | trans | -134.6 | 114.6 | 179.7 | -61 | 179.4 | 96 | -171.4 | 7.6 | 107.6 | L91 | R15-L91 HydrophobicContact CB-CD2 3.75Å; R15-L91 PolarHBondContact NH1-O 3.46Å; R15-L91 WeakPolarHBondContact O-CD1 3.42Å; R15-L91 WeakPolarHBondContact O-CD2 3.33Å | ||
| 16 | E | 85 | Confident | 73 | Confident | 171 Ų | 171 | 102.6 Ų | 102.6 | 80% | 0.799 | 49% | 0.487 | S | S | * | . | P | Polyproline II helix | trans | -98.1 | 145.8 | 172.9 | -66.5 | -173.1 | 176.4 | 0 | 0 | 109.1 | ||
| 17 | L | 89.1 | Confident | 75.2 | Confident | 15 Ų | 15 | 104 Ų | 104 | 8% | 0.079 | 49% | 0.488 | C | S | . | . | P | Polyproline II helix | trans | -64.5 | 142.4 | 174.5 | -62.4 | -176.6 | 0 | 0 | 0 | 111.5 | Q21 K22 I25 T87 I90 L91 | L17-Q21 HydrophobicContact CB-CB 4.16Å; L17-Q21 HydrophobicContact CD2-CB 4.32Å; L17-K22 HydrophobicContact CB-CG 3.82Å; L17-K22 HydrophobicContact CD1-CG 4.14Å; L17-K22 WeakPolarHBondContact O-CE 3.32Å; L17-I25 HydrophobicContact CD1-CD1 3.49Å; L17-I25 VanDerWaalsContact CD1-CD1 3.49Å; L17-T87 HydrophobicContact CD1-CG2 3.82Å; L17-T87 WeakPolarHBondContact CD1-OG1 3.25Å; L17-T87 HydrophobicContact CD2-CG2 4.47Å; L17-T87 HydrophobicContact CG-CG2 3.98Å; L17-I90 HydrophobicContact CD2-CB 3.93Å; L17-I90 HydrophobicContact CD2-CG2 3.49Å; L17-I90 VanDerWaalsContact CD2-CG2 3.49Å; L17-L91 HydrophobicContact CD2-CD2 3.72Å; L17-L91 HydrophobicContact CD2-CG 3.99Å; L17-L91 HydrophobicContact CG-CD2 4.44Å |
| 18 | T | 90.9 | Very high | 77.3 | Confident | 82 Ų | 82 | 100 Ų | 100 | 50% | 0.503 | 47% | 0.468 | S | S | . | . | P | Polyproline II helix | trans | -67.1 | 163.4 | 169 | 72 | 0 | 0 | 0 | 0 | 110.9 | G20 Q21 K22 | T18-G20 VanDerWaalsContact C-N 3.27Å; T18-G20 PolarHBondContact O-N 2.94Å; T18-Q21 PolarHBondContact O-N 3.37Å; T18-Q21 WeakPolarHBondContact OG1-CG 3.49Å; T18-Q21 PolarHBondContact OG1-N 2.86Å; T18-Q21 VanDerWaalsContact OG1-N 3.15Å; T18-Q21 PolarHBondContact OG1-OE1 2.74Å; T18-K22 WeakPolarHBondContact O-CG 3.34Å; T18-K22 PolarHBondContact O-N 3.37Å |
| 19 | A | 92.5 | Very high | 79.7 | Confident | 86 Ų | 86 | 96.3 Ų | 96.3 | 71% | 0.711 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -59.6 | -39 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | K22 Q23 | A19-K22 PolarHBondContact O-N 3.44Å; A19-Q23 WeakPolarHBondContact O-CB 3.43Å; A19-Q23 PolarHBondContact O-N 2.84Å |
| 20 | G | 91.1 | Very high | 81.9 | Confident | 41 Ų | 41 | 95.2 Ų | 95.2 | 42% | 0.423 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -63.1 | -45.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | T18 K22 Q23 E24 | T18-G20 VanDerWaalsContact C-N 3.27Å; T18-G20 PolarHBondContact O-N 2.94Å; G20-K22 VanDerWaalsContact C-N 3.34Å; G20-K22 PolarHBondContact O-N 2.88Å; G20-Q23 WeakPolarHBondContact O-CB 3.25Å; G20-Q23 PolarHBondContact O-N 2.86Å; G20-Q23 VanDerWaalsContact O-N 3.11Å; G20-E24 WeakPolarHBondContact O-CG 3.28Å; G20-E24 PolarHBondContact O-N 2.99Å |
| 21 | Q | 92 | Very high | 84.2 | Confident | 51 Ų | 51 | 91.6 Ų | 91.6 | 24% | 0.238 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -61.7 | -40.7 | 176.9 | -73.4 | 172.3 | -37.8 | 0 | 0 | 112.3 | L17 T18 Q23 E24 I25 I90 | L17-Q21 HydrophobicContact CB-CB 4.16Å; L17-Q21 HydrophobicContact CD2-CB 4.32Å; T18-Q21 PolarHBondContact O-N 3.37Å; T18-Q21 WeakPolarHBondContact OG1-CG 3.49Å; T18-Q21 PolarHBondContact OG1-N 2.86Å; T18-Q21 VanDerWaalsContact OG1-N 3.15Å; T18-Q21 PolarHBondContact OG1-OE1 2.74Å; Q21-Q23 VanDerWaalsContact C-N 3.29Å; Q21-Q23 PolarHBondContact O-N 3.36Å; Q21-E24 PolarHBondContact O-N 3.11Å; Q21-I25 WeakPolarHBondContact O-CG1 3.46Å; Q21-I25 PolarHBondContact O-N 2.79Å; Q21-I25 VanDerWaalsContact O-N 3.17Å; Q21-I90 HydrophobicContact CG-CG2 4.37Å |
| 22 | K | 95.6 | Very high | 86.2 | Confident | 106 Ų | 106 | 83.9 Ų | 83.9 | 46% | 0.461 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.3 | -40.1 | 175.1 | -68.8 | 174.5 | -174.6 | 175.9 | 0 | 111.6 | L17 T18 A19 G20 I25 V26 | L17-K22 HydrophobicContact CB-CG 3.82Å; L17-K22 HydrophobicContact CD1-CG 4.14Å; L17-K22 WeakPolarHBondContact O-CE 3.32Å; T18-K22 WeakPolarHBondContact O-CG 3.34Å; T18-K22 PolarHBondContact O-N 3.37Å; A19-K22 PolarHBondContact O-N 3.44Å; G20-K22 VanDerWaalsContact C-N 3.34Å; G20-K22 PolarHBondContact O-N 2.88Å; K22-I25 PolarHBondContact O-N 3.06Å; K22-V26 WeakPolarHBondContact O-CG2 3.44Å; K22-V26 PolarHBondContact O-N 2.96Å |
| 23 | Q | 95.9 | Very high | 88.2 | Confident | 97 Ų | 97 | 79.5 Ų | 79.5 | 45% | 0.453 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -65.9 | -41.6 | 177.6 | -174.6 | 58.9 | 38.9 | 0 | 0 | 111.6 | A19 G20 Q21 I25 V26 E27 | A19-Q23 WeakPolarHBondContact O-CB 3.43Å; A19-Q23 PolarHBondContact O-N 2.84Å; G20-Q23 WeakPolarHBondContact O-CB 3.25Å; G20-Q23 PolarHBondContact O-N 2.86Å; G20-Q23 VanDerWaalsContact O-N 3.11Å; Q21-Q23 VanDerWaalsContact C-N 3.29Å; Q21-Q23 PolarHBondContact O-N 3.36Å; Q23-I25 VanDerWaalsContact C-N 3.31Å; Q23-I25 PolarHBondContact O-N 3.31Å; Q23-V26 PolarHBondContact O-N 3.37Å; Q23-V26 VanDerWaalsContact O-N 3.16Å; Q23-E27 VanDerWaalsContact CG-OE1 3.31Å; Q23-E27 WeakPolarHBondContact CG-OE1 3.18Å; Q23-E27 PolarHBondContact NE2-OE1 3.06Å; Q23-E27 WeakPolarHBondContact O-CG 3.48Å; Q23-E27 PolarHBondContact O-N 3.13Å |
| 24 | E | 94.4 | Very high | 89.9 | Confident | 88 Ų | 88 | 76.5 Ų | 76.5 | 41% | 0.411 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -58.1 | -40.7 | 174.2 | -73.3 | 173 | -156.6 | 0 | 0 | 112.3 | G20 Q21 E27 A28 L52 | G20-E24 WeakPolarHBondContact O-CG 3.28Å; G20-E24 PolarHBondContact O-N 2.99Å; Q21-E24 PolarHBondContact O-N 3.11Å; E24-E27 PolarHBondContact O-N 3.46Å; E24-A28 VanDerWaalsContact O-CB 3.24Å; E24-A28 WeakPolarHBondContact O-CB 3.34Å; E24-A28 PolarHBondContact O-N 2.72Å; E24-L52 HydrophobicContact CB-CD2 4.1Å |
| 25 | I | 96.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -60.9 | -47.3 | 176.1 | -63 | 177.5 | 0 | 0 | 0 | 110.5 | L17 Q21 K22 Q23 A28 F29 F79 F82 N83 V86 I90 | L17-I25 HydrophobicContact CD1-CD1 3.49Å; L17-I25 VanDerWaalsContact CD1-CD1 3.49Å; Q21-I25 WeakPolarHBondContact O-CG1 3.46Å; Q21-I25 PolarHBondContact O-N 2.79Å; Q21-I25 VanDerWaalsContact O-N 3.17Å; K22-I25 PolarHBondContact O-N 3.06Å; Q23-I25 VanDerWaalsContact C-N 3.31Å; Q23-I25 PolarHBondContact O-N 3.31Å; I25-A28 PolarHBondContact O-N 2.7Å; I25-F29 PolarHBondContact O-N 3.38Å; I25-F79 HydrophobicContact CG2-CE2 4.45Å; I25-F82 HydrophobicContact CG2-CD1 3.91Å; I25-F82 HydrophobicContact CG2-CE1 3.76Å; I25-F82 WeakPolarHBondContact O-CE1 3.33Å; I25-N83 HydrophobicContact CG2-CB 4.27Å; I25-V86 HydrophobicContact CD1-CB 4.34Å; I25-V86 HydrophobicContact CD1-CG1 3.92Å; I25-V86 HydrophobicContact CG1-CB 4.38Å; I25-V86 HydrophobicContact CG1-CG1 3.64Å; I25-V86 HydrophobicContact CG2-CB 4.42Å; I25-V86 HydrophobicContact CG2-CG1 4.41Å; I25-I90 HydrophobicContact CD1-CD1 3.99Å; I25-I90 HydrophobicContact CG1-CD1 3.89Å |
| 26 | V | 96.3 | Very high | 92.3 | Very high | 47 Ų | 47 | 69.9 Ų | 69.9 | 29% | 0.285 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60.6 | -49.7 | 179.2 | 173.1 | 0 | 0 | 0 | 0 | 110.4 | K22 Q23 A28 F29 D30 F79 | K22-V26 WeakPolarHBondContact O-CG2 3.44Å; K22-V26 PolarHBondContact O-N 2.96Å; Q23-V26 PolarHBondContact O-N 3.37Å; Q23-V26 VanDerWaalsContact O-N 3.16Å; V26-A28 PolarHBondContact O-N 3.17Å; V26-F29 PolarHBondContact O-N 3.33Å; V26-D30 WeakPolarHBondContact O-CB 3.48Å; V26-D30 PolarHBondContact O-N 2.91Å; V26-F79 HydrophobicContact CG2-CE2 4.23Å; V26-F79 HydrophobicContact CG2-CZ 3.88Å |
| 27 | E | 95.9 | Very high | 92.6 | Very high | 109 Ų | 109 | 64 Ų | 64 | 51% | 0.509 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.7 | -41.8 | -179.3 | -72.5 | 172.3 | -172.1 | 0 | 0 | 112.5 | Q23 E24 F29 D30 L31 | Q23-E27 VanDerWaalsContact CG-OE1 3.31Å; Q23-E27 WeakPolarHBondContact CG-OE1 3.18Å; Q23-E27 PolarHBondContact NE2-OE1 3.06Å; Q23-E27 WeakPolarHBondContact O-CG 3.48Å; Q23-E27 PolarHBondContact O-N 3.13Å; E24-E27 PolarHBondContact O-N 3.46Å; E27-F29 VanDerWaalsContact C-N 3.33Å; E27-F29 PolarHBondContact O-N 2.78Å; E27-D30 PolarHBondContact O-N 3.05Å; E27-L31 VanDerWaalsContact O-CB 3.31Å; E27-L31 WeakPolarHBondContact O-CB 3.36Å; E27-L31 PolarHBondContact O-N 2.97Å |
| 28 | A | 95.9 | Very high | 92.6 | Very high | 7 Ų | 7 | 69 Ų | 69 | 6% | 0.058 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -63.3 | -40.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | E24 I25 V26 F32 L52 F82 | E24-A28 VanDerWaalsContact O-CB 3.24Å; E24-A28 WeakPolarHBondContact O-CB 3.34Å; E24-A28 PolarHBondContact O-N 2.72Å; I25-A28 PolarHBondContact O-N 2.7Å; V26-A28 PolarHBondContact O-N 3.17Å; A28-F32 WeakPolarHBondContact O-CD2 3.49Å; A28-L52 HydrophobicContact CB-CD1 3.77Å; A28-L52 HydrophobicContact CB-CD2 3.64Å; A28-L52 HydrophobicContact CB-CG 3.54Å; A28-F82 HydrophobicContact CB-CZ 4.42Å |
| 29 | F | 96.2 | Very high | 92.7 | Very high | 5 Ų | 5 | 68 Ų | 68 | 2% | 0.022 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -65.4 | -50.9 | 175 | -173.9 | -90.5 | 0 | 0 | 0 | 111.4 | I25 V26 E27 L31 F32 D33 Q38 I40 F79 F82 | I25-F29 PolarHBondContact O-N 3.38Å; V26-F29 PolarHBondContact O-N 3.33Å; E27-F29 VanDerWaalsContact C-N 3.33Å; E27-F29 PolarHBondContact O-N 2.78Å; F29-L31 PolarHBondContact O-N 3.15Å; F29-F32 PolarHBondContact O-N 3.24Å; F29-D33 HydrophobicContact CD1-CB 3.93Å; F29-D33 HydrophobicContact CE1-CB 3.58Å; F29-D33 HydrophobicContact CZ-CB 4.26Å; F29-D33 PolarHBondContact O-N 2.89Å; F29-Q38 VanDerWaalsContact CZ-C 3.48Å; F29-Q38 WeakPolarHBondContact CZ-O 3.35Å; F29-I40 HydrophobicContact CD2-CD1 3.93Å; F29-I40 HydrophobicContact CD2-CG1 4.32Å; F29-I40 HydrophobicContact CD2-CG2 4.14Å; F29-I40 HydrophobicContact CE1-CG2 4.47Å; F29-I40 HydrophobicContact CE2-CB 4.34Å; F29-I40 HydrophobicContact CE2-CD1 3.98Å; F29-I40 HydrophobicContact CE2-CG1 3.86Å; F29-I40 HydrophobicContact CE2-CG2 3.77Å; F29-I40 HydrophobicContact CZ-CG2 3.94Å; F29-F79 HydrophobicContact CB-CD2 3.95Å; F29-F79 HydrophobicContact CB-CE2 4.17Å; F29-F79 HydrophobicContact CD1-CB 4.37Å; F29-F79 AromaticContact CD1-CD2 3.77Å; F29-F79 HydrophobicContact CD1-CD2 3.77Å; F29-F79 HydrophobicContact CD1-CG 4.49Å; F29-F79 HydrophobicContact CD2-CB 4.49Å; F29-F79 AromaticContact CD2-CD2 3.91Å; F29-F79 HydrophobicContact CD2-CD2 3.91Å; F29-F79 HydrophobicContact CE1-CB 3.97Å; F29-F79 HydrophobicContact CE1-CD2 4.24Å; F29-F79 HydrophobicContact CE2-CB 4.08Å; F29-F79 HydrophobicContact CE2-CD2 4.35Å; F29-F79 AromaticContact CG-CD2 3.59Å; F29-F79 HydrophobicContact CG-CD2 3.59Å; F29-F79 HydrophobicContact CG-CE2 4.31Å; F29-F79 HydrophobicContact CZ-CB 3.82Å; F29-F82 HydrophobicContact CB-CD1 3.9Å; F29-F82 HydrophobicContact CB-CE1 3.8Å; F29-F82 HydrophobicContact CB-CZ 4.48Å; F29-F82 HydrophobicContact CD2-CB 3.8Å; F29-F82 AromaticContact CD2-CD1 3.64Å; F29-F82 HydrophobicContact CD2-CD1 3.64Å; F29-F82 HydrophobicContact CD2-CD2 4.18Å; F29-F82 HydrophobicContact CD2-CE1 4.22Å; F29-F82 AromaticContact CD2-CG 3.6Å; F29-F82 HydrophobicContact CD2-CG 3.6Å; F29-F82 HydrophobicContact CE2-CB 4.01Å; F29-F82 HydrophobicContact CE2-CG 4.28Å; F29-F82 HydrophobicContact CG-CD1 4.22Å |
| 30 | D | 94.4 | Very high | 92.8 | Very high | 73 Ų | 73 | 64 Ų | 64 | 39% | 0.39 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62 | -26.8 | -176.9 | -94.4 | -38.3 | 0 | 0 | 0 | 113.9 | V26 E27 F32 K36 | V26-D30 WeakPolarHBondContact O-CB 3.48Å; V26-D30 PolarHBondContact O-N 2.91Å; E27-D30 PolarHBondContact O-N 3.05Å; D30-F32 VanDerWaalsContact C-N 3.27Å; D30-F32 PolarHBondContact O-N 3.08Å; D30-K36 PolarHBondContact O-NZ 3.04Å; D30-K36 IonicContact OD1-NZ 3.92Å; D30-K36 PolarHBondContact OD1-NZ 2.91Å |
| 31 | L | 94.3 | Very high | 92.7 | Very high | 110 Ų | 110 | 63.7 Ų | 63.7 | 58% | 0.576 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -65.2 | -30.8 | 175.4 | -178.5 | 63.1 | 0 | 0 | 0 | 112.2 | E27 F29 | E27-L31 VanDerWaalsContact O-CB 3.31Å; E27-L31 WeakPolarHBondContact O-CB 3.36Å; E27-L31 PolarHBondContact O-N 2.97Å; F29-L31 PolarHBondContact O-N 3.15Å |
| 32 | F | 91 | Very high | 92.6 | Very high | 37 Ų | 37 | 62 Ų | 62 | 16% | 0.162 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -109.2 | -22.8 | -177.4 | -58.2 | -74.9 | 0 | 0 | 0 | 113.8 | A28 F29 D30 T34 I40 E44 V47 A48 A51 | A28-F32 WeakPolarHBondContact O-CD2 3.49Å; F29-F32 PolarHBondContact O-N 3.24Å; D30-F32 VanDerWaalsContact C-N 3.27Å; D30-F32 PolarHBondContact O-N 3.08Å; F32-T34 PolarHBondContact O-N 2.9Å; F32-I40 HydrophobicContact CB-CG2 4.33Å; F32-E44 HydrophobicContact CB-CB 3.88Å; F32-E44 HydrophobicContact CB-CG 4.06Å; F32-E44 HydrophobicContact CG-CB 4.5Å; F32-V47 HydrophobicContact CD1-CB 4.41Å; F32-V47 HydrophobicContact CD1-CG1 4.29Å; F32-V47 HydrophobicContact CE1-CB 3.89Å; F32-V47 HydrophobicContact CE1-CG1 3.34Å; F32-V47 HydrophobicContact CE2-CG1 4.43Å; F32-V47 HydrophobicContact CZ-CB 4.1Å; F32-V47 HydrophobicContact CZ-CG1 3.45Å; F32-V47 VanDerWaalsContact CZ-CG1 3.45Å; F32-A48 HydrophobicContact CD2-CB 3.52Å; F32-A48 HydrophobicContact CE2-CB 3.81Å; F32-A48 HydrophobicContact CG-CB 4.47Å; F32-A51 HydrophobicContact CE2-CB 4.12Å; F32-A51 HydrophobicContact CZ-CB 4.34Å |
| 33 | D | 91.7 | Very high | 92.2 | Very high | 2 Ų | 2 | 65.2 Ų | 65.2 | 1% | 0.011 | 32% | 0.322 | C | S | . | . | trans | -73.5 | 74.7 | 165.3 | -179.7 | 13.9 | 0 | 0 | 0 | 110 | F29 K36 D37 Q38 I40 | F29-D33 HydrophobicContact CD1-CB 3.93Å; F29-D33 HydrophobicContact CE1-CB 3.58Å; F29-D33 HydrophobicContact CZ-CB 4.26Å; F29-D33 PolarHBondContact O-N 2.89Å; D33-K36 WeakPolarHBondContact O-CD 3.24Å; D33-K36 WeakPolarHBondContact O-CE 3.36Å; D33-K36 PolarHBondContact O-NZ 3.38Å; D33-K36 WeakPolarHBondContact OD1-CA 3.46Å; D33-K36 PolarHBondContact OD1-N 3.03Å; D33-D37 PolarHBondContact OD1-N 2.8Å; D33-D37 VanDerWaalsContact OD1-N 3.07Å; D33-Q38 WeakPolarHBondContact OD2-CA 3.38Å; D33-Q38 PolarHBondContact OD2-N 3.45Å; D33-I40 HydrophobicContact CB-CG2 3.99Å | ||
| 34 | T | 84.9 | Confident | 92 | Very high | 112 Ų | 112 | 63.6 Ų | 63.6 | 69% | 0.687 | 31% | 0.314 | S | S | * | . | trans | -76.8 | -28.2 | -174.4 | 57.7 | 0 | 0 | 0 | 0 | 113.4 | F32 | F32-T34 PolarHBondContact O-N 2.9Š| ||
| 35 | D | 88.4 | Confident | 92 | Very high | 110 Ų | 110 | 59.4 Ų | 59.4 | 59% | 0.588 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -92.2 | -3.2 | 177.5 | 69.8 | -6.6 | 0 | 0 | 0 | 113.2 | D37 | D35-D37 PolarHBondContact O-N 3.03Å; D35-D37 PolarHBondContact OD1-N 3.12Å |
| 36 | K | 86.6 | Confident | 91.8 | Very high | 119 Ų | 119 | 62.3 Ų | 62.3 | 52% | 0.517 | 31% | 0.308 | S | S | . | . | trans | 60.9 | 33.6 | 176.6 | -58.2 | -63.3 | 174 | -155.4 | 0 | 112.3 | D30 D33 | D30-K36 PolarHBondContact O-NZ 3.04Å; D30-K36 IonicContact OD1-NZ 3.92Å; D30-K36 PolarHBondContact OD1-NZ 2.91Å; D33-K36 WeakPolarHBondContact O-CD 3.24Å; D33-K36 WeakPolarHBondContact O-CE 3.36Å; D33-K36 PolarHBondContact O-NZ 3.38Å; D33-K36 WeakPolarHBondContact OD1-CA 3.46Å; D33-K36 PolarHBondContact OD1-N 3.03Å | ||
| 37 | D | 90.3 | Very high | 91.5 | Very high | 48 Ų | 48 | 63 Ų | 63 | 26% | 0.257 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -86.8 | 4.8 | 175.6 | 88.4 | -12.3 | 0 | 0 | 0 | 113.1 | D33 D35 Q39 K76 | D33-D37 PolarHBondContact OD1-N 2.8Å; D33-D37 VanDerWaalsContact OD1-N 3.07Å; D35-D37 PolarHBondContact O-N 3.03Å; D35-D37 PolarHBondContact OD1-N 3.12Å; D37-Q39 PolarHBondContact O-N 3.04Å; D37-Q39 PolarHBondContact O-NE2 3.5Å; D37-Q39 VanDerWaalsContact OD1-CA 3.3Å; D37-Q39 WeakPolarHBondContact OD1-CA 3.25Å; D37-Q39 VanDerWaalsContact OD1-CB 3.23Å; D37-Q39 WeakPolarHBondContact OD1-CB 3.49Å; D37-Q39 PolarHBondContact OD1-N 2.9Å; D37-Q39 VanDerWaalsContact OD1-O 3.11Å; D37-K76 IonicContact OD2-NZ 2.86Å; D37-K76 PolarHBondContact OD2-NZ 3.19Å |
| 38 | Q | 90.2 | Very high | 91.5 | Very high | 120 Ų | 120 | 57.8 Ų | 57.8 | 56% | 0.561 | 29% | 0.287 | S | S | * | . | S | Bend | trans | 58.7 | 26.1 | -176 | -67.1 | 179.2 | 73 | 0 | 0 | 113.2 | F29 D33 R78 F79 | F29-Q38 VanDerWaalsContact CZ-C 3.48Å; F29-Q38 WeakPolarHBondContact CZ-O 3.35Å; D33-Q38 WeakPolarHBondContact OD2-CA 3.38Å; D33-Q38 PolarHBondContact OD2-N 3.45Å; Q38-R78 WeakPolarHBondContact O-CA 3.46Å; Q38-F79 PolarHBondContact O-N 3.36Å; Q38-F79 VanDerWaalsContact O-N 3.15Å |
| 39 | Q | 93.2 | Very high | 91.4 | Very high | 60 Ų | 60 | 57.6 Ų | 57.6 | 28% | 0.28 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 149.9 | 174.4 | -63.8 | 157.3 | 88.3 | 0 | 0 | 111.5 | D37 K76 L77 R78 | D37-Q39 PolarHBondContact O-N 3.04Å; D37-Q39 PolarHBondContact O-NE2 3.5Å; D37-Q39 VanDerWaalsContact OD1-CA 3.3Å; D37-Q39 WeakPolarHBondContact OD1-CA 3.25Å; D37-Q39 VanDerWaalsContact OD1-CB 3.23Å; D37-Q39 WeakPolarHBondContact OD1-CB 3.49Å; D37-Q39 PolarHBondContact OD1-N 2.9Å; D37-Q39 VanDerWaalsContact OD1-O 3.11Å; Q39-K76 HydrophobicContact CB-CB 4.14Å; Q39-K76 HydrophobicContact CB-CD 4.15Å; Q39-K76 HydrophobicContact CB-CG 4.49Å; Q39-K76 HydrophobicContact CG-CB 4.43Å; Q39-K76 HydrophobicContact CG-CD 4.5Å; Q39-L77 CarbonylContact C-O 3.55Å; Q39-L77 WeakPolarHBondContact CA-O 3.39Å; Q39-R78 HydrophobicContact CG-CG 3.91Å |
| 40 | I | 93.2 | Very high | 91.3 | Very high | 1 Ų | 1 | 64.3 Ų | 64.3 | 1% | 0.005 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 147.5 | 171.8 | 63.9 | 177.4 | 0 | 0 | 0 | 110.2 | F29 F32 D33 E44 F45 K76 L77 F82 | F29-I40 HydrophobicContact CD2-CD1 3.93Å; F29-I40 HydrophobicContact CD2-CG1 4.32Å; F29-I40 HydrophobicContact CD2-CG2 4.14Å; F29-I40 HydrophobicContact CE1-CG2 4.47Å; F29-I40 HydrophobicContact CE2-CB 4.34Å; F29-I40 HydrophobicContact CE2-CD1 3.98Å; F29-I40 HydrophobicContact CE2-CG1 3.86Å; F29-I40 HydrophobicContact CE2-CG2 3.77Å; F29-I40 HydrophobicContact CZ-CG2 3.94Å; F32-I40 HydrophobicContact CB-CG2 4.33Å; D33-I40 HydrophobicContact CB-CG2 3.99Å; I40-E44 HydrophobicContact CB-CB 3.84Å; I40-E44 HydrophobicContact CG2-CB 4.43Å; I40-F45 HydrophobicContact CD1-CB 4.07Å; I40-F45 HydrophobicContact CD1-CD2 4.41Å; I40-F45 HydrophobicContact CG1-CB 4.46Å; I40-K76 CarbonylContact O-C 3.48Å; I40-K76 WeakPolarHBondContact O-CA 3.41Å; I40-L77 HydrophobicContact CG1-CB 4.15Å; I40-L77 PolarHBondContact N-O 3.03Å; I40-L77 PolarHBondContact O-N 3.04Å; I40-F82 HydrophobicContact CD1-CD2 3.62Å; I40-F82 HydrophobicContact CD1-CE2 3.87Å; I40-F82 HydrophobicContact CD1-CG 4.37Å |
| 41 | S | 90.3 | Very high | 91.2 | Very high | 35 Ų | 35 | 63.9 Ų | 63.9 | 25% | 0.245 | 32% | 0.317 | C | S | . | . | trans | -72.6 | 169.2 | 174.8 | 68.2 | 0 | 0 | 0 | 0 | 112.4 | Y43 E44 F45 G75 | S41-Y43 VanDerWaalsContact C-N 3.25Å; S41-Y43 PolarHBondContact O-N 3.17Å; S41-E44 VanDerWaalsContact CB-OE2 3.24Å; S41-E44 WeakPolarHBondContact CB-OE2 3.32Å; S41-E44 PolarHBondContact N-OE2 3.35Å; S41-E44 PolarHBondContact O-N 2.68Å; S41-E44 VanDerWaalsContact OG-CD 3.31Å; S41-E44 WeakPolarHBondContact OG-CG 3.47Å; S41-E44 PolarHBondContact OG-N 2.97Å; S41-E44 PolarHBondContact OG-OE2 3.26Å; S41-F45 WeakPolarHBondContact O-CB 3.25Å; S41-F45 PolarHBondContact O-N 3.12Å; S41-G75 WeakPolarHBondContact CA-O 3.22Å | ||
| 42 | Y | 88.4 | Confident | 91.1 | Very high | 17 Ų | 17 | 59.3 Ų | 59.3 | 7% | 0.067 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -51.6 | -42.7 | 170.8 | 169.9 | -92.5 | 0 | 0 | 0 | 113.3 | K46 V61 L62 L65 E72 | Y42-K46 PolarHBondContact O-N 2.95Å; Y42-K46 VanDerWaalsContact O-N 3.12Å; Y42-V61 HydrophobicContact CD2-CG1 4.25Å; Y42-V61 HydrophobicContact CE2-CB 4.27Å; Y42-V61 HydrophobicContact CE2-CG1 3.48Å; Y42-V61 VanDerWaalsContact CE2-CG1 3.48Å; Y42-L62 HydrophobicContact CE2-CD2 3.74Å; Y42-L62 HydrophobicContact CE2-CG 4.46Å; Y42-L65 HydrophobicContact CD2-CD1 3.6Å; Y42-L65 HydrophobicContact CE2-CD1 3.99Å; Y42-E72 HydrophobicContact CD2-CG 4.24Å |
| 43 | Y | 88.5 | Confident | 91 | Very high | 173 Ų | 173 | 59 Ų | 59 | 68% | 0.678 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -70.3 | -42.3 | -177.6 | -70.5 | -72.5 | 0 | 0 | 0 | 111 | S41 K46 V47 | S41-Y43 VanDerWaalsContact C-N 3.25Å; S41-Y43 PolarHBondContact O-N 3.17Å; Y43-K46 PolarHBondContact O-N 3.11Å; Y43-V47 WeakPolarHBondContact O-CG2 3.26Å; Y43-V47 PolarHBondContact O-N 2.96Å; Y43-V47 VanDerWaalsContact O-N 3.09Å |
| 44 | E | 91.8 | Very high | 91.1 | Very high | 62 Ų | 62 | 60.1 Ų | 60.1 | 29% | 0.29 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.3 | -41.6 | 175.6 | -75.4 | 157.1 | 161.3 | 0 | 0 | 111.4 | F32 I40 S41 K46 V47 A48 | F32-E44 HydrophobicContact CB-CB 3.88Å; F32-E44 HydrophobicContact CB-CG 4.06Å; F32-E44 HydrophobicContact CG-CB 4.5Å; I40-E44 HydrophobicContact CB-CB 3.84Å; I40-E44 HydrophobicContact CG2-CB 4.43Å; S41-E44 VanDerWaalsContact CB-OE2 3.24Å; S41-E44 WeakPolarHBondContact CB-OE2 3.32Å; S41-E44 PolarHBondContact N-OE2 3.35Å; S41-E44 PolarHBondContact O-N 2.68Å; S41-E44 VanDerWaalsContact OG-CD 3.31Å; S41-E44 WeakPolarHBondContact OG-CG 3.47Å; S41-E44 PolarHBondContact OG-N 2.97Å; S41-E44 PolarHBondContact OG-OE2 3.26Å; E44-K46 VanDerWaalsContact C-N 3.33Å; E44-K46 PolarHBondContact O-N 2.9Å; E44-V47 PolarHBondContact O-N 2.93Å; E44-V47 VanDerWaalsContact O-N 3.13Å; E44-A48 VanDerWaalsContact O-CB 3.31Å; E44-A48 WeakPolarHBondContact O-CB 3.31Å; E44-A48 PolarHBondContact O-N 3.3Å |
| 45 | F | 93.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -53.9 | -49.2 | 172.4 | 175.2 | -120.3 | 0 | 0 | 0 | 111.9 | I40 S41 V47 A48 L49 V61 T64 L65 L77 F82 I85 | I40-F45 HydrophobicContact CD1-CB 4.07Å; I40-F45 HydrophobicContact CD1-CD2 4.41Å; I40-F45 HydrophobicContact CG1-CB 4.46Å; S41-F45 WeakPolarHBondContact O-CB 3.25Å; S41-F45 PolarHBondContact O-N 3.12Å; F45-V47 VanDerWaalsContact C-N 3.31Å; F45-V47 PolarHBondContact O-N 3.32Å; F45-A48 PolarHBondContact O-N 2.64Å; F45-L49 HydrophobicContact CD1-CD1 4.27Å; F45-L49 HydrophobicContact CD2-CD1 4.43Å; F45-L49 HydrophobicContact CD2-CG 4.2Å; F45-L49 HydrophobicContact CE1-CD1 3.69Å; F45-L49 HydrophobicContact CE1-CG 4.45Å; F45-L49 HydrophobicContact CE2-CD1 3.89Å; F45-L49 HydrophobicContact CE2-CD2 3.92Å; F45-L49 HydrophobicContact CE2-CG 3.87Å; F45-L49 HydrophobicContact CZ-CD1 3.5Å; F45-L49 HydrophobicContact CZ-CD2 4.23Å; F45-L49 HydrophobicContact CZ-CG 4.02Å; F45-L49 WeakPolarHBondContact O-CG 3.38Å; F45-L49 PolarHBondContact O-N 2.73Å; F45-V61 HydrophobicContact CD1-CG1 3.82Å; F45-V61 HydrophobicContact CE1-CG1 3.86Å; F45-T64 HydrophobicContact CZ-CG2 4.49Å; F45-L65 HydrophobicContact CD1-CD1 4.49Å; F45-L65 HydrophobicContact CD1-CD2 3.93Å; F45-L65 HydrophobicContact CD1-CG 4.44Å; F45-L65 HydrophobicContact CE1-CD2 3.63Å; F45-L65 HydrophobicContact CE1-CG 4.11Å; F45-L65 HydrophobicContact CZ-CD2 4.2Å; F45-L77 HydrophobicContact CB-CD2 3.9Å; F45-L77 HydrophobicContact CD1-CD2 4.03Å; F45-L77 HydrophobicContact CD2-CD2 3.62Å; F45-L77 HydrophobicContact CE1-CD2 4.43Å; F45-L77 HydrophobicContact CE2-CD2 4.06Å; F45-L77 HydrophobicContact CG-CD2 3.58Å; F45-L77 HydrophobicContact CZ-CD2 4.42Å; F45-F82 AromaticContact CD2-CD2 3.59Å; F45-F82 HydrophobicContact CD2-CD2 3.59Å; F45-F82 AromaticContact CD2-CE2 3.77Å; F45-F82 HydrophobicContact CD2-CE2 3.77Å; F45-F82 AromaticContact CE2-CD2 3.83Å; F45-F82 HydrophobicContact CE2-CD2 3.83Å; F45-F82 HydrophobicContact CE2-CE2 4.06Å; F45-I85 HydrophobicContact CE2-CG2 4.32Å; F45-I85 HydrophobicContact CZ-CD1 4.23Å; F45-I85 HydrophobicContact CZ-CG2 3.91Å |
| 46 | K | 92.5 | Very high | 91.4 | Very high | 62 Ų | 62 | 59.9 Ų | 59.9 | 27% | 0.27 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.1 | -38.4 | 178.5 | -176.2 | 176.9 | 179.2 | -176.4 | 0 | 112.6 | Y42 Y43 E44 R50 V61 | Y42-K46 PolarHBondContact O-N 2.95Å; Y42-K46 VanDerWaalsContact O-N 3.12Å; Y43-K46 PolarHBondContact O-N 3.11Å; E44-K46 VanDerWaalsContact C-N 3.33Å; E44-K46 PolarHBondContact O-N 2.9Å; K46-R50 PolarHBondContact O-N 3.34Å; K46-V61 HydrophobicContact CD-CG2 4.38Å; K46-V61 HydrophobicContact CG-CG2 4.21Å |
| 47 | V | 91.7 | Very high | 91.7 | Very high | 61 Ų | 61 | 61.8 Ų | 61.8 | 37% | 0.37 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -73.5 | -37 | 178.2 | -174.5 | 0 | 0 | 0 | 0 | 110.9 | F32 Y43 E44 F45 R50 A51 | F32-V47 HydrophobicContact CD1-CB 4.41Å; F32-V47 HydrophobicContact CD1-CG1 4.29Å; F32-V47 HydrophobicContact CE1-CB 3.89Å; F32-V47 HydrophobicContact CE1-CG1 3.34Å; F32-V47 HydrophobicContact CE2-CG1 4.43Å; F32-V47 HydrophobicContact CZ-CB 4.1Å; F32-V47 HydrophobicContact CZ-CG1 3.45Å; F32-V47 VanDerWaalsContact CZ-CG1 3.45Å; Y43-V47 WeakPolarHBondContact O-CG2 3.26Å; Y43-V47 PolarHBondContact O-N 2.96Å; Y43-V47 VanDerWaalsContact O-N 3.09Å; E44-V47 PolarHBondContact O-N 2.93Å; E44-V47 VanDerWaalsContact O-N 3.13Å; F45-V47 VanDerWaalsContact C-N 3.31Å; F45-V47 PolarHBondContact O-N 3.32Å; V47-R50 CarbonylContact O-C 3.58Å; V47-R50 WeakPolarHBondContact O-CA 3.36Å; V47-R50 WeakPolarHBondContact O-CB 3.49Å; V47-R50 PolarHBondContact O-N 3.41Å; V47-R50 VanDerWaalsContact O-N 3.13Å; V47-A51 PolarHBondContact O-N 3.5Å |
| 48 | A | 95 | Very high | 91.7 | Very high | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.7 | -45.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | F32 E44 F45 R50 A51 L52 F82 | F32-A48 HydrophobicContact CD2-CB 3.52Å; F32-A48 HydrophobicContact CE2-CB 3.81Å; F32-A48 HydrophobicContact CG-CB 4.47Å; E44-A48 VanDerWaalsContact O-CB 3.31Å; E44-A48 WeakPolarHBondContact O-CB 3.31Å; E44-A48 PolarHBondContact O-N 3.3Å; F45-A48 PolarHBondContact O-N 2.64Å; A48-R50 VanDerWaalsContact C-N 3.27Å; A48-R50 PolarHBondContact O-N 3.43Å; A48-A51 WeakPolarHBondContact O-CB 3.39Å; A48-A51 PolarHBondContact O-N 3.35Å; A48-A51 VanDerWaalsContact O-N 3.12Å; A48-L52 WeakPolarHBondContact O-CG 3.35Å; A48-L52 PolarHBondContact O-N 3.26Å; A48-F82 HydrophobicContact CB-CE2 3.72Å; A48-F82 HydrophobicContact CB-CZ 3.85Å |
| 49 | L | 94.7 | Very high | 91.8 | Very high | 2 Ų | 2 | 65.6 Ų | 65.6 | 1% | 0.01 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -58.4 | -41.3 | 173 | -69.8 | -173.5 | 0 | 0 | 0 | 111.7 | F45 L52 G53 F54 L56 V86 M89 | F45-L49 HydrophobicContact CD1-CD1 4.27Å; F45-L49 HydrophobicContact CD2-CD1 4.43Å; F45-L49 HydrophobicContact CD2-CG 4.2Å; F45-L49 HydrophobicContact CE1-CD1 3.69Å; F45-L49 HydrophobicContact CE1-CG 4.45Å; F45-L49 HydrophobicContact CE2-CD1 3.89Å; F45-L49 HydrophobicContact CE2-CD2 3.92Å; F45-L49 HydrophobicContact CE2-CG 3.87Å; F45-L49 HydrophobicContact CZ-CD1 3.5Å; F45-L49 HydrophobicContact CZ-CD2 4.23Å; F45-L49 HydrophobicContact CZ-CG 4.02Å; F45-L49 WeakPolarHBondContact O-CG 3.38Å; F45-L49 PolarHBondContact O-N 2.73Å; L49-L52 CarbonylContact O-C 3.45Å; L49-L52 PolarHBondContact O-N 3.04Å; L49-G53 PolarHBondContact O-N 3.38Å; L49-F54 CarbonylContact C-O 3.59Å; L49-F54 HydrophobicContact CB-CB 4.14Å; L49-F54 HydrophobicContact CD2-CD2 4.2Å; L49-F54 WeakPolarHBondContact O-CA 3.48Å; L49-F54 WeakPolarHBondContact O-CB 3.47Å; L49-F54 PolarHBondContact O-N 3.13Å; L49-L56 HydrophobicContact CD1-CD1 3.34Å; L49-V86 HydrophobicContact CD2-CG2 3.7Å; L49-M89 HydrophobicContact CD1-CE 4.22Å; L49-M89 HydrophobicContact CD1-SD 4.3Å; L49-M89 HydrophobicContact CD2-CE 4.05Å; L49-M89 HydrophobicContact CD2-SD 3.9Å |
| 50 | R | 92.8 | Very high | 91.8 | Very high | 147 Ų | 147 | 67 Ų | 67 | 56% | 0.555 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -65 | -39.5 | 175.1 | -174.3 | -175.3 | -68.2 | 153.5 | -5.2 | 112.4 | K46 V47 A48 L52 G53 F54 | K46-R50 PolarHBondContact O-N 3.34Å; V47-R50 CarbonylContact O-C 3.58Å; V47-R50 WeakPolarHBondContact O-CA 3.36Å; V47-R50 WeakPolarHBondContact O-CB 3.49Å; V47-R50 PolarHBondContact O-N 3.41Å; V47-R50 VanDerWaalsContact O-N 3.13Å; A48-R50 VanDerWaalsContact C-N 3.27Å; A48-R50 PolarHBondContact O-N 3.43Å; R50-L52 PolarHBondContact O-N 3.13Å; R50-G53 VanDerWaalsContact O-CA 3.29Å; R50-G53 WeakPolarHBondContact O-CA 2.81Å; R50-G53 PolarHBondContact O-N 3.4Å; R50-F54 WeakPolarHBondContact CA-O 3.35Å; R50-F54 PolarHBondContact N-O 2.76Å |
| 51 | A | 91.8 | Very high | 91.8 | Very high | 63 Ų | 63 | 67 Ų | 67 | 52% | 0.521 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.4 | -34.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | F32 V47 A48 G53 | F32-A51 HydrophobicContact CE2-CB 4.12Å; F32-A51 HydrophobicContact CZ-CB 4.34Å; V47-A51 PolarHBondContact O-N 3.5Å; A48-A51 WeakPolarHBondContact O-CB 3.39Å; A48-A51 PolarHBondContact O-N 3.35Å; A48-A51 VanDerWaalsContact O-N 3.12Å; A51-G53 PolarHBondContact O-N 2.8Å |
| 52 | L | 92.5 | Very high | 91.9 | Very high | 14 Ų | 14 | 67.1 Ų | 67.1 | 7% | 0.073 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -2.8 | 170.9 | -67 | 164.2 | 0 | 0 | 0 | 113.1 | E24 A28 A48 L49 R50 F54 F82 V86 R93 R101 | E24-L52 HydrophobicContact CB-CD2 4.1Å; A28-L52 HydrophobicContact CB-CD1 3.77Å; A28-L52 HydrophobicContact CB-CD2 3.64Å; A28-L52 HydrophobicContact CB-CG 3.54Å; A48-L52 WeakPolarHBondContact O-CG 3.35Å; A48-L52 PolarHBondContact O-N 3.26Å; L49-L52 CarbonylContact O-C 3.45Å; L49-L52 PolarHBondContact O-N 3.04Å; R50-L52 PolarHBondContact O-N 3.13Å; L52-F54 HydrophobicContact CB-CD2 3.84Å; L52-F54 HydrophobicContact CB-CE2 4.09Å; L52-F82 HydrophobicContact CD1-CZ 4.04Å; L52-V86 HydrophobicContact CD1-CG1 3.55Å; L52-V86 HydrophobicContact CD1-CG2 4.13Å; L52-R93 PolarHBondContact O-NH2 3.18Å; L52-R101 PolarHBondContact O-NH1 3.12Å |
| 53 | G | 90.2 | Very high | 92.1 | Very high | 31 Ų | 31 | 72.4 Ų | 72.4 | 32% | 0.32 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81 | 21 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | L49 R50 A51 R101 | L49-G53 PolarHBondContact O-N 3.38Å; R50-G53 VanDerWaalsContact O-CA 3.29Å; R50-G53 WeakPolarHBondContact O-CA 2.81Å; R50-G53 PolarHBondContact O-N 3.4Å; A51-G53 PolarHBondContact O-N 2.8Å; G53-R101 VanDerWaalsContact CA-NH1 3.27Å; G53-R101 PolarHBondContact O-NH1 2.87Å |
| 54 | F | 92.1 | Very high | 92.3 | Very high | 26 Ų | 26 | 65.2 Ų | 65.2 | 11% | 0.114 | 32% | 0.318 | C | S | . | . | trans | -90.6 | 121.9 | 167.6 | -61.8 | -75.6 | 0 | 0 | 0 | 110.8 | L49 R50 L52 V86 M89 I90 R93 | L49-F54 CarbonylContact C-O 3.59Å; L49-F54 HydrophobicContact CB-CB 4.14Å; L49-F54 HydrophobicContact CD2-CD2 4.2Å; L49-F54 WeakPolarHBondContact O-CA 3.48Å; L49-F54 WeakPolarHBondContact O-CB 3.47Å; L49-F54 PolarHBondContact O-N 3.13Å; R50-F54 WeakPolarHBondContact CA-O 3.35Å; R50-F54 PolarHBondContact N-O 2.76Å; L52-F54 HydrophobicContact CB-CD2 3.84Å; L52-F54 HydrophobicContact CB-CE2 4.09Å; F54-V86 HydrophobicContact CE2-CG1 4.39Å; F54-M89 HydrophobicContact CB-CE 3.81Å; F54-M89 HydrophobicContact CD1-CE 3.49Å; F54-M89 VanDerWaalsContact CD1-CE 3.49Å; F54-M89 HydrophobicContact CD2-CE 3.8Å; F54-M89 HydrophobicContact CE1-CB 3.76Å; F54-M89 HydrophobicContact CE1-CE 3.85Å; F54-M89 HydrophobicContact CE2-CB 4.11Å; F54-M89 HydrophobicContact CE2-CE 4.13Å; F54-M89 HydrophobicContact CG-CE 3.44Å; F54-M89 VanDerWaalsContact CG-CE 3.44Å; F54-M89 HydrophobicContact CZ-CB 3.5Å; F54-M89 VanDerWaalsContact CZ-CB 3.5Å; F54-M89 HydrophobicContact CZ-CE 4.14Å; F54-I90 HydrophobicContact CE2-CG1 4.05Å; F54-I90 HydrophobicContact CZ-CG1 3.77Å; F54-R93 HydrophobicContact CE1-CG 3.89Å; F54-R93 HydrophobicContact CZ-CG 4.28Å; F54-R93 VanDerWaalsContact CZ-CZ 3.49Å | ||
| 55 | E | 89 | Confident | 92.3 | Very high | 177 Ų | 177 | 62.4 Ų | 62.4 | 83% | 0.827 | 31% | 0.305 | S | S | * | . | trans | -106.2 | 91.3 | 178.4 | -66.7 | -171.1 | 177.2 | 0 | 0 | 111 | ||||
| 56 | L | 91.4 | Very high | 92.2 | Very high | 39 Ų | 39 | 69.2 Ų | 69.2 | 20% | 0.204 | 34% | 0.337 | C | S | . | . | trans | -104.1 | 138.1 | -179 | -67.3 | 155.1 | 0 | 0 | 0 | 112 | L49 E60 V61 M89 | L49-L56 HydrophobicContact CD1-CD1 3.34Å; L56-E60 HydrophobicContact CB-CB 4.2Å; L56-E60 HydrophobicContact CD2-CB 3.61Å; L56-V61 HydrophobicContact CB-CG2 3.63Å; L56-V61 HydrophobicContact CD1-CG2 4.31Å; L56-M89 HydrophobicContact CD1-CE 3.65Å | ||
| 57 | K | 93.1 | Very high | 92.2 | Very high | 159 Ų | 159 | 71.2 Ų | 71.2 | 69% | 0.691 | 35% | 0.35 | S | S | * | . | trans | -72.6 | 161 | 167.4 | -61.4 | 175.8 | -174.4 | 172.2 | 0 | 109.9 | Q59 E60 V61 | K57-Q59 PolarHBondContact O-N 3.17Å; K57-Q59 VanDerWaalsContact O-N 3.15Å; K57-E60 HydrophobicContact CB-CG 4.49Å; K57-E60 WeakPolarHBondContact CB-OE2 3.46Å; K57-E60 WeakPolarHBondContact CG-OE2 3.34Å; K57-E60 PolarHBondContact N-OE2 3.16Å; K57-E60 PolarHBondContact O-N 3.36Å; K57-V61 PolarHBondContact O-N 3.26Å; K57-V61 VanDerWaalsContact O-N 3.07Å | ||
| 58 | K | 90.4 | Very high | 92.2 | Very high | 111 Ų | 111 | 70.6 Ų | 70.6 | 48% | 0.483 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -49.3 | -46.6 | -179.5 | -177.7 | 175.8 | 179.9 | 177.3 | 0 | 112.4 | E60 V61 L62 | K58-E60 VanDerWaalsContact C-N 3.32Å; K58-E60 PolarHBondContact O-N 3.03Å; K58-V61 PolarHBondContact O-N 3.32Å; K58-L62 HydrophobicContact CG-CD1 4.2Å; K58-L62 WeakPolarHBondContact O-CG 3.44Å; K58-L62 PolarHBondContact O-N 3.16Å |
| 59 | Q | 92.5 | Very high | 91.9 | Very high | 138 Ų | 138 | 77.9 Ų | 77.9 | 65% | 0.645 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -66.5 | -33.8 | -177.9 | -62.5 | -59.5 | -17.9 | 0 | 0 | 113 | K57 K63 | K57-Q59 PolarHBondContact O-N 3.17Å; K57-Q59 VanDerWaalsContact O-N 3.15Å; Q59-K63 WeakPolarHBondContact O-CB 3.22Å; Q59-K63 PolarHBondContact O-N 3.38Å |
| 60 | E | 93.5 | Very high | 91.5 | Very high | 90 Ų | 90 | 78.7 Ų | 78.7 | 42% | 0.421 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -70.8 | -42.6 | 177.5 | -61.9 | 168.7 | 114.8 | 0 | 0 | 110.3 | L56 K57 K58 L62 K63 T64 | L56-E60 HydrophobicContact CB-CB 4.2Å; L56-E60 HydrophobicContact CD2-CB 3.61Å; K57-E60 HydrophobicContact CB-CG 4.49Å; K57-E60 WeakPolarHBondContact CB-OE2 3.46Å; K57-E60 WeakPolarHBondContact CG-OE2 3.34Å; K57-E60 PolarHBondContact N-OE2 3.16Å; K57-E60 PolarHBondContact O-N 3.36Å; K58-E60 VanDerWaalsContact C-N 3.32Å; K58-E60 PolarHBondContact O-N 3.03Å; E60-L62 VanDerWaalsContact C-N 3.34Å; E60-L62 PolarHBondContact O-N 3.47Å; E60-K63 PolarHBondContact O-N 3.47Å; E60-T64 WeakPolarHBondContact O-CB 3.46Å; E60-T64 PolarHBondContact O-N 2.93Å; E60-T64 PolarHBondContact O-OG1 3.31Å |
| 61 | V | 92.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 78.6 Ų | 78.6 | 0% | 0 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -58.7 | -45.9 | 173.7 | -177.7 | 0 | 0 | 0 | 0 | 111.2 | Y42 F45 K46 L56 K57 K58 T64 L65 | Y42-V61 HydrophobicContact CD2-CG1 4.25Å; Y42-V61 HydrophobicContact CE2-CB 4.27Å; Y42-V61 HydrophobicContact CE2-CG1 3.48Å; Y42-V61 VanDerWaalsContact CE2-CG1 3.48Å; F45-V61 HydrophobicContact CD1-CG1 3.82Å; F45-V61 HydrophobicContact CE1-CG1 3.86Å; K46-V61 HydrophobicContact CD-CG2 4.38Å; K46-V61 HydrophobicContact CG-CG2 4.21Å; L56-V61 HydrophobicContact CB-CG2 3.63Å; L56-V61 HydrophobicContact CD1-CG2 4.31Å; K57-V61 PolarHBondContact O-N 3.26Å; K57-V61 VanDerWaalsContact O-N 3.07Å; K58-V61 PolarHBondContact O-N 3.32Å; V61-T64 PolarHBondContact O-N 2.86Å; V61-L65 HydrophobicContact CG1-CD1 4.43Å; V61-L65 WeakPolarHBondContact O-CG 3.33Å; V61-L65 PolarHBondContact O-N 3.1Å |
| 62 | L | 91.8 | Very high | 90 | Very high | 37 Ų | 37 | 80.1 Ų | 80.1 | 19% | 0.194 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -63.3 | -44.2 | 179.6 | -68.8 | 175.3 | 0 | 0 | 0 | 112 | Y42 K58 E60 T64 L65 E66 E72 | Y42-L62 HydrophobicContact CE2-CD2 3.74Å; Y42-L62 HydrophobicContact CE2-CG 4.46Å; K58-L62 HydrophobicContact CG-CD1 4.2Å; K58-L62 WeakPolarHBondContact O-CG 3.44Å; K58-L62 PolarHBondContact O-N 3.16Å; E60-L62 VanDerWaalsContact C-N 3.34Å; E60-L62 PolarHBondContact O-N 3.47Å; L62-T64 VanDerWaalsContact C-N 3.35Å; L62-T64 PolarHBondContact O-N 2.96Å; L62-L65 PolarHBondContact O-N 2.82Å; L62-E66 PolarHBondContact O-N 3.31Å; L62-E72 HydrophobicContact CD2-CB 4.18Å; L62-E72 VanDerWaalsContact CD2-CD 3.45Å; L62-E72 HydrophobicContact CD2-CG 3.99Å; L62-E72 WeakPolarHBondContact CD2-OE2 3.47Å |
| 63 | K | 92.1 | Very high | 89 | Confident | 128 Ų | 128 | 85.8 Ų | 85.8 | 56% | 0.557 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -61.6 | -43.8 | 175.9 | -174.2 | -176.9 | 175.4 | -170.1 | 0 | 111.4 | Q59 E60 L65 E66 D67 | Q59-K63 WeakPolarHBondContact O-CB 3.22Å; Q59-K63 PolarHBondContact O-N 3.38Å; E60-K63 PolarHBondContact O-N 3.47Å; K63-L65 VanDerWaalsContact C-N 3.29Å; K63-L65 PolarHBondContact O-N 3.4Å; K63-E66 PolarHBondContact O-N 3.32Å; K63-D67 VanDerWaalsContact O-CG 3.24Å; K63-D67 PolarHBondContact O-N 2.87Å |
| 64 | T | 93.2 | Very high | 88.2 | Confident | 23 Ų | 23 | 87.2 Ų | 87.2 | 14% | 0.141 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -58.3 | -41 | 175.6 | -61.5 | 0 | 0 | 0 | 0 | 111.5 | F45 E60 V61 L62 Y68 I85 M89 | F45-T64 HydrophobicContact CZ-CG2 4.49Å; E60-T64 WeakPolarHBondContact O-CB 3.46Å; E60-T64 PolarHBondContact O-N 2.93Å; E60-T64 PolarHBondContact O-OG1 3.31Å; V61-T64 PolarHBondContact O-N 2.86Å; L62-T64 VanDerWaalsContact C-N 3.35Å; L62-T64 PolarHBondContact O-N 2.96Å; T64-Y68 WeakPolarHBondContact O-CD2 3.39Å; T64-I85 HydrophobicContact CG2-CG2 3.46Å; T64-I85 VanDerWaalsContact CG2-CG2 3.46Å; T64-M89 HydrophobicContact CG2-SD 4.49Å |
| 65 | L | 92.1 | Very high | 87.1 | Confident | 3 Ų | 3 | 87.7 Ų | 87.7 | 2% | 0.016 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -68.1 | -41.2 | 176.5 | -64.7 | 175.5 | 0 | 0 | 0 | 112.3 | Y42 F45 V61 L62 K63 D67 Y68 N69 I70 L77 I85 | Y42-L65 HydrophobicContact CD2-CD1 3.6Å; Y42-L65 HydrophobicContact CE2-CD1 3.99Å; F45-L65 HydrophobicContact CD1-CD1 4.49Å; F45-L65 HydrophobicContact CD1-CD2 3.93Å; F45-L65 HydrophobicContact CD1-CG 4.44Å; F45-L65 HydrophobicContact CE1-CD2 3.63Å; F45-L65 HydrophobicContact CE1-CG 4.11Å; F45-L65 HydrophobicContact CZ-CD2 4.2Å; V61-L65 HydrophobicContact CG1-CD1 4.43Å; V61-L65 WeakPolarHBondContact O-CG 3.33Å; V61-L65 PolarHBondContact O-N 3.1Å; L62-L65 PolarHBondContact O-N 2.82Å; K63-L65 VanDerWaalsContact C-N 3.29Å; K63-L65 PolarHBondContact O-N 3.4Å; L65-D67 VanDerWaalsContact C-N 3.35Å; L65-D67 PolarHBondContact O-N 3.38Å; L65-Y68 CarbonylContact O-C 3.57Å; L65-Y68 PolarHBondContact O-N 3.03Å; L65-Y68 VanDerWaalsContact O-N 3.16Å; L65-N69 PolarHBondContact O-N 3.12Å; L65-I70 CarbonylContact C-O 3.52Å; L65-I70 HydrophobicContact CB-CB 4.16Å; L65-I70 HydrophobicContact CD2-CB 4.26Å; L65-I70 HydrophobicContact CD2-CD1 4.15Å; L65-I70 HydrophobicContact CD2-CG2 4.18Å; L65-I70 PolarHBondContact O-N 3.4Å; L65-L77 HydrophobicContact CD2-CD1 4.45Å; L65-L77 HydrophobicContact CD2-CD2 3.66Å; L65-L77 HydrophobicContact CD2-CG 4.27Å; L65-I85 HydrophobicContact CD2-CD1 4.3Å |
| 66 | E | 91.2 | Very high | 86.9 | Confident | 142 Ų | 142 | 83.9 Ų | 83.9 | 66% | 0.664 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -60.9 | -42.3 | 176.8 | -173.8 | 176.6 | -170.1 | 0 | 0 | 112 | L62 K63 Y68 N69 | L62-E66 PolarHBondContact O-N 3.31Å; K63-E66 PolarHBondContact O-N 3.32Å; E66-Y68 PolarHBondContact O-N 2.88Å; E66-Y68 VanDerWaalsContact O-N 3.07Å; E66-N69 PolarHBondContact O-N 3.26Å |
| 67 | D | 92.1 | Very high | 86.9 | Confident | 104 Ų | 104 | 82.2 Ų | 82.2 | 56% | 0.556 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -59.4 | -21.7 | 178 | -71.5 | -23.9 | 0 | 0 | 0 | 112.4 | K63 L65 | K63-D67 VanDerWaalsContact O-CG 3.24Å; K63-D67 PolarHBondContact O-N 2.87Å; L65-D67 VanDerWaalsContact C-N 3.35Å; L65-D67 PolarHBondContact O-N 3.38Å |
| 68 | Y | 91.3 | Very high | 86.9 | Confident | 49 Ų | 49 | 80.6 Ų | 80.6 | 19% | 0.192 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | 13.3 | 178.1 | -70.1 | -106.3 | 0 | 0 | 0 | 112.8 | T64 L65 E66 I70 E84 I85 D88 | T64-Y68 WeakPolarHBondContact O-CD2 3.39Å; L65-Y68 CarbonylContact O-C 3.57Å; L65-Y68 PolarHBondContact O-N 3.03Å; L65-Y68 VanDerWaalsContact O-N 3.16Å; E66-Y68 PolarHBondContact O-N 2.88Å; E66-Y68 VanDerWaalsContact O-N 3.07Å; Y68-I70 PolarHBondContact O-N 3.1Å; Y68-E84 HydrophobicContact CD1-CG 4.46Å; Y68-E84 HydrophobicContact CE1-CB 4.29Å; Y68-E84 HydrophobicContact CE1-CG 3.9Å; Y68-I85 HydrophobicContact CD1-CD1 4.41Å; Y68-I85 HydrophobicContact CD1-CG1 3.55Å; Y68-I85 HydrophobicContact CD2-CD1 4.31Å; Y68-I85 HydrophobicContact CD2-CG1 3.68Å; Y68-I85 HydrophobicContact CE1-CB 4.4Å; Y68-I85 HydrophobicContact CE1-CG1 3.66Å; Y68-I85 HydrophobicContact CE2-CB 4.47Å; Y68-I85 HydrophobicContact CE2-CG1 3.78Å; Y68-I85 HydrophobicContact CG-CD1 4.07Å; Y68-I85 HydrophobicContact CG-CG1 3.54Å; Y68-D88 VanDerWaalsContact OH-CB 3.22Å; Y68-D88 WeakPolarHBondContact OH-CB 3.34Å; Y68-D88 VanDerWaalsContact OH-CG 3.28Å; Y68-D88 PolarHBondContact OH-OD2 3.43Å |
| 69 | N | 89.4 | Confident | 87.1 | Confident | 153 Ų | 153 | 77.7 Ų | 77.7 | 82% | 0.818 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.8 | 29.4 | -178.6 | -53.3 | -76.9 | 0 | 0 | 0 | 114 | L65 E66 | L65-N69 PolarHBondContact O-N 3.12Å; E66-N69 PolarHBondContact O-N 3.26Å |
| 70 | I | 87 | Confident | 87.1 | Confident | 19 Ų | 19 | 76.4 Ų | 76.4 | 10% | 0.097 | 38% | 0.376 | C | S | . | . | trans | -97.1 | 120.3 | 176.7 | -54.9 | 173.2 | 0 | 0 | 0 | 108.2 | L65 Y68 L77 D81 I85 | L65-I70 CarbonylContact C-O 3.52Å; L65-I70 HydrophobicContact CB-CB 4.16Å; L65-I70 HydrophobicContact CD2-CB 4.26Å; L65-I70 HydrophobicContact CD2-CD1 4.15Å; L65-I70 HydrophobicContact CD2-CG2 4.18Å; L65-I70 PolarHBondContact O-N 3.4Å; Y68-I70 PolarHBondContact O-N 3.1Å; I70-L77 HydrophobicContact CD1-CG 4.42Å; I70-L77 HydrophobicContact CG2-CD1 4.44Å; I70-L77 HydrophobicContact CG2-CG 4.21Å; I70-D81 HydrophobicContact CD1-CB 3.78Å; I70-I85 HydrophobicContact CD1-CD1 3.69Å | ||
| 71 | K | 80 | Confident | 87.1 | Confident | 145 Ų | 145 | 73.6 Ų | 73.6 | 63% | 0.63 | 36% | 0.364 | S | S | * | . | trans | -82.5 | 137.7 | 176.8 | -58.6 | -175.5 | 176.3 | -177.1 | 0 | 110.4 | D73 S74 | K71-D73 WeakPolarHBondContact CB-OD1 3.29Å; K71-D73 WeakPolarHBondContact CD-OD1 3.32Å; K71-D73 PolarHBondContact O-N 3.04Å; K71-D73 VanDerWaalsContact O-N 3.17Å; K71-S74 WeakPolarHBondContact O-CB 3.24Å; K71-S74 PolarHBondContact O-N 3.17Å; K71-S74 PolarHBondContact O-OG 2.92Å | ||
| 72 | E | 72 | Confident | 87.2 | Confident | 94 Ų | 94 | 73.6 Ų | 73.6 | 44% | 0.439 | 36% | 0.364 | S | S | . | . | G | 310 helix | trans | -55.4 | -33.7 | 174.2 | -173.5 | -177.7 | -166.1 | 0 | 0 | 111.8 | Y42 L62 S74 G75 | Y42-E72 HydrophobicContact CD2-CG 4.24Å; L62-E72 HydrophobicContact CD2-CB 4.18Å; L62-E72 VanDerWaalsContact CD2-CD 3.45Å; L62-E72 HydrophobicContact CD2-CG 3.99Å; L62-E72 WeakPolarHBondContact CD2-OE2 3.47Å; E72-S74 VanDerWaalsContact C-N 3.34Å; E72-G75 PolarHBondContact O-N 3.36Å |
| 73 | D | 72.9 | Confident | 87.4 | Confident | 133 Ų | 133 | 74.3 Ų | 74.3 | 71% | 0.711 | 37% | 0.368 | S | S | * | . | G | 310 helix | trans | -80.2 | -7.5 | 179.5 | 73.8 | -12.2 | 0 | 0 | 0 | 114.6 | K71 G75 | K71-D73 WeakPolarHBondContact CB-OD1 3.29Å; K71-D73 WeakPolarHBondContact CD-OD1 3.32Å; K71-D73 PolarHBondContact O-N 3.04Å; K71-D73 VanDerWaalsContact O-N 3.17Å; D73-G75 PolarHBondContact O-N 3.43Å; D73-G75 VanDerWaalsContact O-N 3.15Å |
| 74 | S | 71.7 | Confident | 87.5 | Confident | 61 Ų | 61 | 72.7 Ų | 72.7 | 43% | 0.427 | 36% | 0.362 | S | S | . | . | G | 310 helix | trans | -59.4 | -25.3 | 170 | 77 | 0 | 0 | 0 | 0 | 110.4 | K71 E72 K76 | K71-S74 WeakPolarHBondContact O-CB 3.24Å; K71-S74 PolarHBondContact O-N 3.17Å; K71-S74 PolarHBondContact O-OG 2.92Å; E72-S74 VanDerWaalsContact C-N 3.34Å; S74-K76 PolarHBondContact O-N 2.89Å; S74-K76 PolarHBondContact OG-N 3.2Å; S74-K76 PolarHBondContact OG-O 2.87Å |
| 75 | G | 70.1 | Confident | 87.6 | Confident | 37 Ų | 37 | 71.6 Ų | 71.6 | 38% | 0.381 | 36% | 0.355 | S | S | . | . | trans | 69 | -6.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | S41 E72 D73 | S41-G75 WeakPolarHBondContact CA-O 3.22Å; E72-G75 PolarHBondContact O-N 3.36Å; D73-G75 PolarHBondContact O-N 3.43Å; D73-G75 VanDerWaalsContact O-N 3.15Å | ||
| 76 | K | 84.9 | Confident | 87.8 | Confident | 97 Ų | 97 | 71.4 Ų | 71.4 | 42% | 0.422 | 36% | 0.355 | S | S | . | . | trans | -149.5 | 132.9 | -170.3 | -64 | -161.8 | 172.6 | -153.6 | 0 | 111.5 | D37 Q39 I40 S74 | D37-K76 IonicContact OD2-NZ 2.86Å; D37-K76 PolarHBondContact OD2-NZ 3.19Å; Q39-K76 HydrophobicContact CB-CB 4.14Å; Q39-K76 HydrophobicContact CB-CD 4.15Å; Q39-K76 HydrophobicContact CB-CG 4.49Å; Q39-K76 HydrophobicContact CG-CB 4.43Å; Q39-K76 HydrophobicContact CG-CD 4.5Å; I40-K76 CarbonylContact O-C 3.48Å; I40-K76 WeakPolarHBondContact O-CA 3.41Å; S74-K76 PolarHBondContact O-N 2.89Å; S74-K76 PolarHBondContact OG-N 3.2Å; S74-K76 PolarHBondContact OG-O 2.87Å | ||
| 77 | L | 92.2 | Very high | 87.9 | Confident | 3 Ų | 3 | 66 Ų | 66 | 2% | 0.016 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 129 | 170.8 | -72.8 | 73.5 | 0 | 0 | 0 | 107.6 | Q39 I40 F45 L65 I70 | Q39-L77 CarbonylContact C-O 3.55Å; Q39-L77 WeakPolarHBondContact CA-O 3.39Å; I40-L77 HydrophobicContact CG1-CB 4.15Å; I40-L77 PolarHBondContact N-O 3.03Å; I40-L77 PolarHBondContact O-N 3.04Å; F45-L77 HydrophobicContact CB-CD2 3.9Å; F45-L77 HydrophobicContact CD1-CD2 4.03Å; F45-L77 HydrophobicContact CD2-CD2 3.62Å; F45-L77 HydrophobicContact CE1-CD2 4.43Å; F45-L77 HydrophobicContact CE2-CD2 4.06Å; F45-L77 HydrophobicContact CG-CD2 3.58Å; F45-L77 HydrophobicContact CZ-CD2 4.42Å; L65-L77 HydrophobicContact CD2-CD1 4.45Å; L65-L77 HydrophobicContact CD2-CD2 3.66Å; L65-L77 HydrophobicContact CD2-CG 4.27Å; I70-L77 HydrophobicContact CD1-CG 4.42Å; I70-L77 HydrophobicContact CG2-CD1 4.44Å; I70-L77 HydrophobicContact CG2-CG 4.21Å |
| 78 | R | 92.8 | Very high | 88 | Confident | 125 Ų | 125 | 62 Ų | 62 | 47% | 0.472 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 162.6 | 173.7 | -65.6 | 178.3 | -62.2 | -75 | -13.5 | 111 | Q38 Q39 E80 D81 F82 | Q38-R78 WeakPolarHBondContact O-CA 3.46Å; Q39-R78 HydrophobicContact CG-CG 3.91Å; R78-E80 WeakPolarHBondContact CB-OE2 3.42Å; R78-E80 PolarHBondContact O-N 2.92Å; R78-D81 IonicContact CZ-OD1 2.95Å; R78-D81 IonicContact CZ-OD2 2.93Å; R78-D81 VanDerWaalsContact CZ-OD2 3.29Å; R78-D81 PolarHBondContact N-OD2 3.45Å; R78-D81 IonicContact NE-OD2 3.88Å; R78-D81 IonicContact NH1-OD2 3.67Å; R78-D81 IonicContact NH2-OD1 2.7Å; R78-D81 PolarHBondContact NH2-OD1 3.18Å; R78-D81 IonicContact NH2-OD2 3.91Å; R78-D81 PolarHBondContact NH2-OD2 2.8Å; R78-D81 PolarHBondContact O-N 3.18Å; R78-F82 PolarHBondContact O-N 3.01Å |
| 79 | F | 94.2 | Very high | 88.1 | Confident | 51 Ų | 51 | 61 Ų | 61 | 22% | 0.224 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -54.3 | -39.4 | 173.1 | 177.4 | -106.2 | 0 | 0 | 0 | 112.8 | I25 V26 F29 Q38 D81 F82 N83 | I25-F79 HydrophobicContact CG2-CE2 4.45Å; V26-F79 HydrophobicContact CG2-CE2 4.23Å; V26-F79 HydrophobicContact CG2-CZ 3.88Å; F29-F79 HydrophobicContact CB-CD2 3.95Å; F29-F79 HydrophobicContact CB-CE2 4.17Å; F29-F79 HydrophobicContact CD1-CB 4.37Å; F29-F79 AromaticContact CD1-CD2 3.77Å; F29-F79 HydrophobicContact CD1-CD2 3.77Å; F29-F79 HydrophobicContact CD1-CG 4.49Å; F29-F79 HydrophobicContact CD2-CB 4.49Å; F29-F79 AromaticContact CD2-CD2 3.91Å; F29-F79 HydrophobicContact CD2-CD2 3.91Å; F29-F79 HydrophobicContact CE1-CB 3.97Å; F29-F79 HydrophobicContact CE1-CD2 4.24Å; F29-F79 HydrophobicContact CE2-CB 4.08Å; F29-F79 HydrophobicContact CE2-CD2 4.35Å; F29-F79 AromaticContact CG-CD2 3.59Å; F29-F79 HydrophobicContact CG-CD2 3.59Å; F29-F79 HydrophobicContact CG-CE2 4.31Å; F29-F79 HydrophobicContact CZ-CB 3.82Å; Q38-F79 PolarHBondContact O-N 3.36Å; Q38-F79 VanDerWaalsContact O-N 3.15Å; F79-D81 VanDerWaalsContact C-N 3.34Å; F79-D81 PolarHBondContact O-N 3.14Å; F79-F82 PolarHBondContact O-N 2.69Å; F79-N83 HydrophobicContact CE1-CB 4.21Å; F79-N83 HydrophobicContact CE2-CB 4.32Å; F79-N83 HydrophobicContact CZ-CB 4.04Å; F79-N83 VanDerWaalsContact O-CB 3.23Å; F79-N83 WeakPolarHBondContact O-CB 3.5Å; F79-N83 PolarHBondContact O-N 2.98Å |
| 80 | E | 92.7 | Very high | 88.3 | Confident | 110 Ų | 110 | 54.1 Ų | 54.1 | 51% | 0.514 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.4 | -43.4 | 179.7 | -63.1 | 78.3 | -166.7 | 0 | 0 | 111.9 | R78 N83 E84 | R78-E80 WeakPolarHBondContact CB-OE2 3.42Å; R78-E80 PolarHBondContact O-N 2.92Å; E80-N83 PolarHBondContact O-N 2.95Å; E80-E84 PolarHBondContact O-N 3.29Å |
| 81 | D | 93.2 | Very high | 88.4 | Confident | 32 Ų | 32 | 54.5 Ų | 54.5 | 17% | 0.171 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.3 | -43.8 | 178.9 | -50.9 | -39.5 | 0 | 0 | 0 | 110.1 | I70 R78 F79 E84 I85 | I70-D81 HydrophobicContact CD1-CB 3.78Å; R78-D81 IonicContact CZ-OD1 2.95Å; R78-D81 IonicContact CZ-OD2 2.93Å; R78-D81 VanDerWaalsContact CZ-OD2 3.29Å; R78-D81 PolarHBondContact N-OD2 3.45Å; R78-D81 IonicContact NE-OD2 3.88Å; R78-D81 IonicContact NH1-OD2 3.67Å; R78-D81 IonicContact NH2-OD1 2.7Å; R78-D81 PolarHBondContact NH2-OD1 3.18Å; R78-D81 IonicContact NH2-OD2 3.91Å; R78-D81 PolarHBondContact NH2-OD2 2.8Å; R78-D81 PolarHBondContact O-N 3.18Å; F79-D81 VanDerWaalsContact C-N 3.34Å; F79-D81 PolarHBondContact O-N 3.14Å; D81-E84 PolarHBondContact O-N 3.09Å; D81-I85 WeakPolarHBondContact O-CD1 3.5Å; D81-I85 VanDerWaalsContact O-CG1 3.27Å; D81-I85 WeakPolarHBondContact O-CG1 3.3Å; D81-I85 PolarHBondContact O-N 3.14Å; D81-I85 VanDerWaalsContact O-N 3.1Å |
| 82 | F | 95.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.6 | -50.2 | 175.4 | -180 | -97.5 | 0 | 0 | 0 | 112 | I25 A28 F29 I40 F45 A48 L52 R78 F79 E84 I85 V86 | I25-F82 HydrophobicContact CG2-CD1 3.91Å; I25-F82 HydrophobicContact CG2-CE1 3.76Å; I25-F82 WeakPolarHBondContact O-CE1 3.33Å; A28-F82 HydrophobicContact CB-CZ 4.42Å; F29-F82 HydrophobicContact CB-CD1 3.9Å; F29-F82 HydrophobicContact CB-CE1 3.8Å; F29-F82 HydrophobicContact CB-CZ 4.48Å; F29-F82 HydrophobicContact CD2-CB 3.8Å; F29-F82 AromaticContact CD2-CD1 3.64Å; F29-F82 HydrophobicContact CD2-CD1 3.64Å; F29-F82 HydrophobicContact CD2-CD2 4.18Å; F29-F82 HydrophobicContact CD2-CE1 4.22Å; F29-F82 AromaticContact CD2-CG 3.6Å; F29-F82 HydrophobicContact CD2-CG 3.6Å; F29-F82 HydrophobicContact CE2-CB 4.01Å; F29-F82 HydrophobicContact CE2-CG 4.28Å; F29-F82 HydrophobicContact CG-CD1 4.22Å; I40-F82 HydrophobicContact CD1-CD2 3.62Å; I40-F82 HydrophobicContact CD1-CE2 3.87Å; I40-F82 HydrophobicContact CD1-CG 4.37Å; F45-F82 AromaticContact CD2-CD2 3.59Å; F45-F82 HydrophobicContact CD2-CD2 3.59Å; F45-F82 AromaticContact CD2-CE2 3.77Å; F45-F82 HydrophobicContact CD2-CE2 3.77Å; F45-F82 AromaticContact CE2-CD2 3.83Å; F45-F82 HydrophobicContact CE2-CD2 3.83Å; F45-F82 HydrophobicContact CE2-CE2 4.06Å; A48-F82 HydrophobicContact CB-CE2 3.72Å; A48-F82 HydrophobicContact CB-CZ 3.85Å; L52-F82 HydrophobicContact CD1-CZ 4.04Å; R78-F82 PolarHBondContact O-N 3.01Å; F79-F82 PolarHBondContact O-N 2.69Å; F82-E84 VanDerWaalsContact C-N 3.33Å; F82-E84 PolarHBondContact O-N 2.64Å; F82-I85 PolarHBondContact O-N 3.35Å; F82-V86 HydrophobicContact CD1-CG2 4.14Å; F82-V86 HydrophobicContact CD2-CG2 4.09Å; F82-V86 HydrophobicContact CE1-CG2 3.84Å; F82-V86 HydrophobicContact CE2-CG2 3.79Å; F82-V86 HydrophobicContact CG-CG2 4.27Å; F82-V86 HydrophobicContact CZ-CG2 3.67Å; F82-V86 WeakPolarHBondContact O-CB 3.36Å; F82-V86 VanDerWaalsContact O-CG2 3.26Å; F82-V86 WeakPolarHBondContact O-CG2 3.42Å; F82-V86 PolarHBondContact O-N 3.22Å |
| 83 | N | 95.2 | Very high | 89.6 | Confident | 52 Ų | 52 | 51.1 Ų | 51.1 | 28% | 0.278 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.8 | -40.2 | -178.2 | 174.8 | 81.1 | 0 | 0 | 0 | 111.4 | I25 F79 E80 T87 | I25-N83 HydrophobicContact CG2-CB 4.27Å; F79-N83 HydrophobicContact CE1-CB 4.21Å; F79-N83 HydrophobicContact CE2-CB 4.32Å; F79-N83 HydrophobicContact CZ-CB 4.04Å; F79-N83 VanDerWaalsContact O-CB 3.23Å; F79-N83 WeakPolarHBondContact O-CB 3.5Å; F79-N83 PolarHBondContact O-N 2.98Å; E80-N83 PolarHBondContact O-N 2.95Å; N83-T87 WeakPolarHBondContact O-CB 3.4Å; N83-T87 PolarHBondContact O-N 3.18Å; N83-T87 PolarHBondContact O-OG1 3.32Å |
| 84 | E | 94.4 | Very high | 90.2 | Very high | 93 Ų | 93 | 48.3 Ų | 48.3 | 44% | 0.435 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62.6 | -50.7 | 176.1 | -162.7 | -175.5 | 167.9 | 0 | 0 | 111.2 | R12 Y68 E80 D81 F82 V86 T87 D88 | R12-E84 IonicContact NH1-OE1 3.85Å; Y68-E84 HydrophobicContact CD1-CG 4.46Å; Y68-E84 HydrophobicContact CE1-CB 4.29Å; Y68-E84 HydrophobicContact CE1-CG 3.9Å; E80-E84 PolarHBondContact O-N 3.29Å; D81-E84 PolarHBondContact O-N 3.09Å; F82-E84 VanDerWaalsContact C-N 3.33Å; F82-E84 PolarHBondContact O-N 2.64Å; E84-V86 PolarHBondContact O-N 3.44Å; E84-T87 PolarHBondContact O-N 3.12Å; E84-D88 PolarHBondContact O-N 2.86Å; E84-D88 VanDerWaalsContact O-N 3.13Å |
| 85 | I | 94.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.4 | -50.9 | 180 | -67.7 | 165.4 | 0 | 0 | 0 | 111.2 | F45 T64 L65 Y68 I70 D81 F82 T87 D88 M89 | F45-I85 HydrophobicContact CE2-CG2 4.32Å; F45-I85 HydrophobicContact CZ-CD1 4.23Å; F45-I85 HydrophobicContact CZ-CG2 3.91Å; T64-I85 HydrophobicContact CG2-CG2 3.46Å; T64-I85 VanDerWaalsContact CG2-CG2 3.46Å; L65-I85 HydrophobicContact CD2-CD1 4.3Å; Y68-I85 HydrophobicContact CD1-CD1 4.41Å; Y68-I85 HydrophobicContact CD1-CG1 3.55Å; Y68-I85 HydrophobicContact CD2-CD1 4.31Å; Y68-I85 HydrophobicContact CD2-CG1 3.68Å; Y68-I85 HydrophobicContact CE1-CB 4.4Å; Y68-I85 HydrophobicContact CE1-CG1 3.66Å; Y68-I85 HydrophobicContact CE2-CB 4.47Å; Y68-I85 HydrophobicContact CE2-CG1 3.78Å; Y68-I85 HydrophobicContact CG-CD1 4.07Å; Y68-I85 HydrophobicContact CG-CG1 3.54Å; I70-I85 HydrophobicContact CD1-CD1 3.69Å; D81-I85 WeakPolarHBondContact O-CD1 3.5Å; D81-I85 VanDerWaalsContact O-CG1 3.27Å; D81-I85 WeakPolarHBondContact O-CG1 3.3Å; D81-I85 PolarHBondContact O-N 3.14Å; D81-I85 VanDerWaalsContact O-N 3.1Å; F82-I85 PolarHBondContact O-N 3.35Å; I85-T87 VanDerWaalsContact C-N 3.32Å; I85-T87 PolarHBondContact O-N 2.87Å; I85-D88 PolarHBondContact O-N 3.13Å; I85-M89 HydrophobicContact CG2-CG 4.35Å; I85-M89 HydrophobicContact CG2-SD 3.77Å; I85-M89 VanDerWaalsContact O-CG 3.28Å; I85-M89 WeakPolarHBondContact O-CG 3.29Å; I85-M89 PolarHBondContact O-N 3.28Å |
| 86 | V | 95.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -68.8 | -35.3 | -175.7 | 177 | 0 | 0 | 0 | 0 | 111.1 | I25 L49 L52 F54 F82 E84 D88 M89 I90 | I25-V86 HydrophobicContact CD1-CB 4.34Å; I25-V86 HydrophobicContact CD1-CG1 3.92Å; I25-V86 HydrophobicContact CG1-CB 4.38Å; I25-V86 HydrophobicContact CG1-CG1 3.64Å; I25-V86 HydrophobicContact CG2-CB 4.42Å; I25-V86 HydrophobicContact CG2-CG1 4.41Å; L49-V86 HydrophobicContact CD2-CG2 3.7Å; L52-V86 HydrophobicContact CD1-CG1 3.55Å; L52-V86 HydrophobicContact CD1-CG2 4.13Å; F54-V86 HydrophobicContact CE2-CG1 4.39Å; F82-V86 HydrophobicContact CD1-CG2 4.14Å; F82-V86 HydrophobicContact CD2-CG2 4.09Å; F82-V86 HydrophobicContact CE1-CG2 3.84Å; F82-V86 HydrophobicContact CE2-CG2 3.79Å; F82-V86 HydrophobicContact CG-CG2 4.27Å; F82-V86 HydrophobicContact CZ-CG2 3.67Å; F82-V86 WeakPolarHBondContact O-CB 3.36Å; F82-V86 VanDerWaalsContact O-CG2 3.26Å; F82-V86 WeakPolarHBondContact O-CG2 3.42Å; F82-V86 PolarHBondContact O-N 3.22Å; E84-V86 PolarHBondContact O-N 3.44Å; V86-D88 PolarHBondContact O-N 3.4Å; V86-M89 PolarHBondContact O-N 3.33Å; V86-I90 HydrophobicContact CG1-CD1 3.77Å; V86-I90 HydrophobicContact CG1-CG1 4.16Å; V86-I90 WeakPolarHBondContact O-CB 3.36Å; V86-I90 VanDerWaalsContact O-CG1 3.29Å; V86-I90 WeakPolarHBondContact O-CG1 3.44Å; V86-I90 PolarHBondContact O-N 2.81Å |
| 87 | T | 95.2 | Very high | 91.8 | Very high | 29 Ų | 29 | 48.8 Ų | 48.8 | 18% | 0.178 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -56.8 | -52.4 | 173.6 | -68.7 | 0 | 0 | 0 | 0 | 110.5 | L17 N83 E84 I85 M89 I90 L91 | L17-T87 HydrophobicContact CD1-CG2 3.82Å; L17-T87 WeakPolarHBondContact CD1-OG1 3.25Å; L17-T87 HydrophobicContact CD2-CG2 4.47Å; L17-T87 HydrophobicContact CG-CG2 3.98Å; N83-T87 WeakPolarHBondContact O-CB 3.4Å; N83-T87 PolarHBondContact O-N 3.18Å; N83-T87 PolarHBondContact O-OG1 3.32Å; E84-T87 PolarHBondContact O-N 3.12Å; I85-T87 VanDerWaalsContact C-N 3.32Å; I85-T87 PolarHBondContact O-N 2.87Å; T87-M89 VanDerWaalsContact C-N 3.33Å; T87-M89 PolarHBondContact O-N 3.01Å; T87-I90 PolarHBondContact O-N 3Å; T87-L91 HydrophobicContact CG2-CD1 3.82Å; T87-L91 HydrophobicContact CG2-CG 4.31Å; T87-L91 VanDerWaalsContact O-CG 3.24Å; T87-L91 WeakPolarHBondContact O-CG 3.46Å; T87-L91 PolarHBondContact O-N 3.15Å |
| 88 | D | 94.1 | Very high | 91.6 | Very high | 18 Ų | 18 | 51.2 Ų | 51.2 | 10% | 0.096 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.9 | -45.2 | 178.6 | -88.2 | 14.8 | 0 | 0 | 0 | 112 | R12 Y68 E84 I85 V86 I90 L91 D92 | R12-D88 WeakPolarHBondContact CD-OD1 3.47Å; R12-D88 IonicContact CZ-OD1 3.98Å; R12-D88 IonicContact CZ-OD2 2.82Å; R12-D88 VanDerWaalsContact NE-CG 3.33Å; R12-D88 IonicContact NE-OD1 3.29Å; R12-D88 PolarHBondContact NE-OD1 3.36Å; R12-D88 IonicContact NE-OD2 3.07Å; R12-D88 PolarHBondContact NE-OD2 2.8Å; R12-D88 IonicContact NH1-OD2 3.99Å; R12-D88 IonicContact NH2-OD2 3.68Å; R12-D88 PolarHBondContact NH2-OD2 3.21Å; Y68-D88 VanDerWaalsContact OH-CB 3.22Å; Y68-D88 WeakPolarHBondContact OH-CB 3.34Å; Y68-D88 VanDerWaalsContact OH-CG 3.28Å; Y68-D88 PolarHBondContact OH-OD2 3.43Å; E84-D88 PolarHBondContact O-N 2.86Å; E84-D88 VanDerWaalsContact O-N 3.13Å; I85-D88 PolarHBondContact O-N 3.13Å; V86-D88 PolarHBondContact O-N 3.4Å; D88-I90 VanDerWaalsContact C-N 3.3Å; D88-I90 PolarHBondContact O-N 3.45Å; D88-L91 PolarHBondContact O-N 3.31Å; D88-D92 WeakPolarHBondContact O-CB 3.41Å; D88-D92 PolarHBondContact O-N 2.92Å |
| 89 | M | 93.5 | Very high | 91.5 | Very high | 30 Ų | 30 | 46.6 Ų | 46.6 | 15% | 0.148 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.8 | -38.8 | 177.9 | -70 | 177.1 | 63.8 | 0 | 0 | 112.5 | L49 F54 L56 T64 I85 V86 T87 R93 | L49-M89 HydrophobicContact CD1-CE 4.22Å; L49-M89 HydrophobicContact CD1-SD 4.3Å; L49-M89 HydrophobicContact CD2-CE 4.05Å; L49-M89 HydrophobicContact CD2-SD 3.9Å; F54-M89 HydrophobicContact CB-CE 3.81Å; F54-M89 HydrophobicContact CD1-CE 3.49Å; F54-M89 VanDerWaalsContact CD1-CE 3.49Å; F54-M89 HydrophobicContact CD2-CE 3.8Å; F54-M89 HydrophobicContact CE1-CB 3.76Å; F54-M89 HydrophobicContact CE1-CE 3.85Å; F54-M89 HydrophobicContact CE2-CB 4.11Å; F54-M89 HydrophobicContact CE2-CE 4.13Å; F54-M89 HydrophobicContact CG-CE 3.44Å; F54-M89 VanDerWaalsContact CG-CE 3.44Å; F54-M89 HydrophobicContact CZ-CB 3.5Å; F54-M89 VanDerWaalsContact CZ-CB 3.5Å; F54-M89 HydrophobicContact CZ-CE 4.14Å; L56-M89 HydrophobicContact CD1-CE 3.65Å; T64-M89 HydrophobicContact CG2-SD 4.49Å; I85-M89 HydrophobicContact CG2-CG 4.35Å; I85-M89 HydrophobicContact CG2-SD 3.77Å; I85-M89 VanDerWaalsContact O-CG 3.28Å; I85-M89 WeakPolarHBondContact O-CG 3.29Å; I85-M89 PolarHBondContact O-N 3.28Å; V86-M89 PolarHBondContact O-N 3.33Å; T87-M89 VanDerWaalsContact C-N 3.33Å; T87-M89 PolarHBondContact O-N 3.01Å; M89-R93 WeakPolarHBondContact O-CG 3.5Å; M89-R93 PolarHBondContact O-N 3.15Å |
| 90 | I | 91.9 | Very high | 91.5 | Very high | 8 Ų | 8 | 46.2 Ų | 46.2 | 4% | 0.041 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -69.4 | -40.3 | 176.5 | -70.1 | 173.2 | 0 | 0 | 0 | 110.7 | L17 Q21 I25 F54 V86 T87 D88 D92 R93 | L17-I90 HydrophobicContact CD2-CB 3.93Å; L17-I90 HydrophobicContact CD2-CG2 3.49Å; L17-I90 VanDerWaalsContact CD2-CG2 3.49Å; Q21-I90 HydrophobicContact CG-CG2 4.37Å; I25-I90 HydrophobicContact CD1-CD1 3.99Å; I25-I90 HydrophobicContact CG1-CD1 3.89Å; F54-I90 HydrophobicContact CE2-CG1 4.05Å; F54-I90 HydrophobicContact CZ-CG1 3.77Å; V86-I90 HydrophobicContact CG1-CD1 3.77Å; V86-I90 HydrophobicContact CG1-CG1 4.16Å; V86-I90 WeakPolarHBondContact O-CB 3.36Å; V86-I90 VanDerWaalsContact O-CG1 3.29Å; V86-I90 WeakPolarHBondContact O-CG1 3.44Å; V86-I90 PolarHBondContact O-N 2.81Å; T87-I90 PolarHBondContact O-N 3Å; D88-I90 VanDerWaalsContact C-N 3.3Å; D88-I90 PolarHBondContact O-N 3.45Å; I90-D92 VanDerWaalsContact C-N 3.27Å; I90-D92 PolarHBondContact O-N 3.07Å; I90-R93 WeakPolarHBondContact O-CB 3.4Å; I90-R93 PolarHBondContact O-N 2.67Å |
| 91 | L | 90.4 | Very high | 91.3 | Very high | 27 Ų | 27 | 44.3 Ų | 44.3 | 14% | 0.141 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67.6 | -30.1 | 179 | -67.9 | 178.4 | 0 | 0 | 0 | 112.8 | R15 L17 T87 D88 R93 | R15-L91 HydrophobicContact CB-CD2 3.75Å; R15-L91 PolarHBondContact NH1-O 3.46Å; R15-L91 WeakPolarHBondContact O-CD1 3.42Å; R15-L91 WeakPolarHBondContact O-CD2 3.33Å; L17-L91 HydrophobicContact CD2-CD2 3.72Å; L17-L91 HydrophobicContact CD2-CG 3.99Å; L17-L91 HydrophobicContact CG-CD2 4.44Å; T87-L91 HydrophobicContact CG2-CD1 3.82Å; T87-L91 HydrophobicContact CG2-CG 4.31Å; T87-L91 VanDerWaalsContact O-CG 3.24Å; T87-L91 WeakPolarHBondContact O-CG 3.46Å; T87-L91 PolarHBondContact O-N 3.15Å; D88-L91 PolarHBondContact O-N 3.31Å; L91-R93 VanDerWaalsContact C-N 3.33Å |
| 92 | D | 90.1 | Very high | 91.2 | Very high | 138 Ų | 138 | 44.1 Ų | 44.1 | 74% | 0.738 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -1.7 | 175.8 | -75 | -12.2 | 0 | 0 | 0 | 113.4 | D88 I90 D94 | D88-D92 WeakPolarHBondContact O-CB 3.41Å; D88-D92 PolarHBondContact O-N 2.92Å; I90-D92 VanDerWaalsContact C-N 3.27Å; I90-D92 PolarHBondContact O-N 3.07Å; D92-D94 PolarHBondContact O-N 3.19Å |
| 93 | R | 87.4 | Confident | 91.3 | Very high | 29 Ų | 29 | 44.8 Ų | 44.8 | 11% | 0.109 | 24% | 0.24 | C | C | . | . | trans | -61.3 | 130.6 | 175 | -80 | 171.7 | 175 | -176.3 | 11.1 | 111 | L52 F54 M89 I90 L91 P95 E98 | L52-R93 PolarHBondContact O-NH2 3.18Å; F54-R93 HydrophobicContact CE1-CG 3.89Å; F54-R93 HydrophobicContact CZ-CG 4.28Å; F54-R93 VanDerWaalsContact CZ-CZ 3.49Å; M89-R93 WeakPolarHBondContact O-CG 3.5Å; M89-R93 PolarHBondContact O-N 3.15Å; I90-R93 WeakPolarHBondContact O-CB 3.4Å; I90-R93 PolarHBondContact O-N 2.67Å; L91-R93 VanDerWaalsContact C-N 3.33Å; R93-P95 WeakPolarHBondContact O-CD 3.45Å; R93-E98 HydrophobicContact CB-CG 4.21Å; R93-E98 VanDerWaalsContact CD-CD 3.45Å; R93-E98 WeakPolarHBondContact CD-OE1 3.49Å; R93-E98 WeakPolarHBondContact CD-OE2 3.21Å; R93-E98 IonicContact CZ-OE2 2.89Å; R93-E98 IonicContact NE-OE1 2.95Å; R93-E98 IonicContact NE-OE2 3.92Å; R93-E98 IonicContact NH1-OE1 3.77Å; R93-E98 IonicContact NH1-OE2 2.58Å; R93-E98 PolarHBondContact NH1-OE2 3.13Å | ||
| 94 | D | 85.7 | Confident | 91.2 | Very high | 75 Ų | 75 | 48.9 Ų | 48.9 | 40% | 0.401 | 26% | 0.255 | S | S | . | . | trans | -68.9 | 121 | 167.9 | 167.6 | 35.4 | 0 | 0 | 0 | 109.7 | D92 V96 T97 E98 | D92-D94 PolarHBondContact O-N 3.19Å; D94-V96 PolarHBondContact O-N 3.43Å; D94-V96 PolarHBondContact OD1-N 3.21Å; D94-V96 WeakPolarHBondContact OD2-CB 3.46Å; D94-T97 WeakPolarHBondContact O-CB 3.48Å; D94-T97 PolarHBondContact O-N 2.86Å; D94-T97 VanDerWaalsContact O-N 3.09Å; D94-T97 PolarHBondContact OD2-N 3.35Å; D94-T97 VanDerWaalsContact OD2-N 3.14Å; D94-T97 PolarHBondContact OD2-OG1 3.27Å; D94-E98 PolarHBondContact O-N 2.91Å; D94-E98 VanDerWaalsContact O-N 3.14Å | ||
| 95 | P | 84.3 | Confident | 91.1 | Very high | 61 Ų | 61 | 50.7 Ų | 50.7 | 40% | 0.396 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -54.9 | -33.2 | 178.2 | -25.9 | 34.7 | 0 | 0 | 0 | 113.7 | R93 E98 M99 | R93-P95 WeakPolarHBondContact O-CD 3.45Å; P95-E98 WeakPolarHBondContact O-CB 3.35Å; P95-E98 PolarHBondContact O-N 3.26Å; P95-M99 WeakPolarHBondContact O-CG 3.36Å; P95-M99 PolarHBondContact O-N 3.29Å |
| 96 | V | 88.5 | Confident | 91.1 | Very high | 72 Ų | 72 | 53 Ų | 53 | 44% | 0.436 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -66.7 | -45.2 | 179 | -179.3 | 0 | 0 | 0 | 0 | 109.9 | D94 E98 M99 V100 M156 | D94-V96 PolarHBondContact O-N 3.43Å; D94-V96 PolarHBondContact OD1-N 3.21Å; D94-V96 WeakPolarHBondContact OD2-CB 3.46Å; V96-E98 VanDerWaalsContact C-N 3.28Å; V96-E98 PolarHBondContact O-N 3.09Å; V96-M99 PolarHBondContact O-N 2.77Å; V96-V100 VanDerWaalsContact O-CG2 3.32Å; V96-V100 WeakPolarHBondContact O-CG2 3.29Å; V96-V100 PolarHBondContact O-N 3.46Å; V96-M156 HydrophobicContact CG1-CE 3.55Å; V96-M156 HydrophobicContact CG1-SD 4.25Å |
| 97 | T | 87.5 | Confident | 91.1 | Very high | 72 Ų | 72 | 53.3 Ų | 53.3 | 44% | 0.442 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -57.8 | -40.2 | 174 | -59.9 | 0 | 0 | 0 | 0 | 111.8 | D94 V100 R101 | D94-T97 WeakPolarHBondContact O-CB 3.48Å; D94-T97 PolarHBondContact O-N 2.86Å; D94-T97 VanDerWaalsContact O-N 3.09Å; D94-T97 PolarHBondContact OD2-N 3.35Å; D94-T97 VanDerWaalsContact OD2-N 3.14Å; D94-T97 PolarHBondContact OD2-OG1 3.27Å; T97-V100 PolarHBondContact O-N 3.44Å; T97-R101 WeakPolarHBondContact O-CG 3.37Å; T97-R101 PolarHBondContact O-N 2.95Å |
| 98 | E | 87.2 | Confident | 90.9 | Very high | 53 Ų | 53 | 57.5 Ų | 57.5 | 25% | 0.248 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.9 | -46.1 | 174.7 | -64.1 | -56.4 | 88 | 0 | 0 | 112.7 | R93 D94 P95 V96 V100 R101 A102 | R93-E98 HydrophobicContact CB-CG 4.21Å; R93-E98 VanDerWaalsContact CD-CD 3.45Å; R93-E98 WeakPolarHBondContact CD-OE1 3.49Å; R93-E98 WeakPolarHBondContact CD-OE2 3.21Å; R93-E98 IonicContact CZ-OE2 2.89Å; R93-E98 IonicContact NE-OE1 2.95Å; R93-E98 IonicContact NE-OE2 3.92Å; R93-E98 IonicContact NH1-OE1 3.77Å; R93-E98 IonicContact NH1-OE2 2.58Å; R93-E98 PolarHBondContact NH1-OE2 3.13Å; D94-E98 PolarHBondContact O-N 2.91Å; D94-E98 VanDerWaalsContact O-N 3.14Å; P95-E98 WeakPolarHBondContact O-CB 3.35Å; P95-E98 PolarHBondContact O-N 3.26Å; V96-E98 VanDerWaalsContact C-N 3.28Å; V96-E98 PolarHBondContact O-N 3.09Å; E98-V100 VanDerWaalsContact C-N 3.32Å; E98-V100 PolarHBondContact O-N 3.37Å; E98-R101 PolarHBondContact O-N 3.41Å; E98-R101 IonicContact OE1-CZ 2.99Å; E98-R101 IonicContact OE1-NE 2.98Å; E98-R101 PolarHBondContact OE1-NE 2.91Å; E98-R101 IonicContact OE1-NH2 2.64Å; E98-R101 PolarHBondContact OE1-NH2 2.92Å; E98-R101 IonicContact OE2-CZ 3.77Å; E98-R101 IonicContact OE2-NH2 2.69Å; E98-R101 PolarHBondContact OE2-NH2 3.02Å; E98-A102 PolarHBondContact O-N 3.46Å |
| 99 | M | 91.6 | Very high | 90.8 | Very high | 29 Ų | 29 | 61.3 Ų | 61.3 | 14% | 0.143 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.4 | -39.5 | 178.8 | -68.9 | 171.4 | -172.5 | 0 | 0 | 111.3 | P95 V96 R101 A102 F103 F155 M156 M159 T160 | P95-M99 WeakPolarHBondContact O-CG 3.36Å; P95-M99 PolarHBondContact O-N 3.29Å; V96-M99 PolarHBondContact O-N 2.77Å; M99-R101 VanDerWaalsContact C-N 3.33Å; M99-R101 PolarHBondContact O-N 3.26Å; M99-A102 PolarHBondContact O-N 3.36Å; M99-F103 VanDerWaalsContact O-CB 3.29Å; M99-F103 WeakPolarHBondContact O-CB 3.46Å; M99-F103 PolarHBondContact O-N 2.92Å; M99-F155 WeakPolarHBondContact O-CE1 3.42Å; M99-M156 HydrophobicContact CB-CE 4.47Å; M99-M156 HydrophobicContact CB-CG 4.22Å; M99-M156 HydrophobicContact SD-CB 4.44Å; M99-M156 HydrophobicContact SD-CG 4.13Å; M99-M159 HydrophobicContact CE-CB 3.85Å; M99-M159 HydrophobicContact CG-CB 4.11Å; M99-M159 HydrophobicContact CG-CG 4.41Å; M99-M159 HydrophobicContact SD-CB 3.96Å; M99-T160 HydrophobicContact CE-CG2 3.67Å; M99-T160 HydrophobicContact SD-CG2 4.21Å |
| 100 | V | 92.5 | Very high | 90.8 | Very high | 42 Ų | 42 | 66.5 Ų | 66.5 | 26% | 0.255 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.9 | -40.1 | 174.7 | 174.3 | 0 | 0 | 0 | 0 | 111.4 | V96 T97 E98 F103 K104 L152 M156 | V96-V100 VanDerWaalsContact O-CG2 3.32Å; V96-V100 WeakPolarHBondContact O-CG2 3.29Å; V96-V100 PolarHBondContact O-N 3.46Å; T97-V100 PolarHBondContact O-N 3.44Å; E98-V100 VanDerWaalsContact C-N 3.32Å; E98-V100 PolarHBondContact O-N 3.37Å; V100-F103 PolarHBondContact O-N 2.88Å; V100-K104 WeakPolarHBondContact O-CG 3.38Å; V100-K104 PolarHBondContact O-N 3.37Å; V100-K104 VanDerWaalsContact O-N 3.16Å; V100-L152 HydrophobicContact CG2-CD1 4.14Å; V100-L152 HydrophobicContact CG2-CD2 4.12Å; V100-M156 HydrophobicContact CG2-CE 3.56Å |
| 101 | R | 89.5 | Confident | 90.9 | Very high | 71 Ų | 71 | 68.8 Ų | 68.8 | 27% | 0.268 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -66.7 | -46.5 | 176.7 | -68.9 | -173.1 | -51.1 | 145.3 | 24.4 | 111.2 | L52 G53 T97 E98 M99 F103 K104 L105 | L52-R101 PolarHBondContact O-NH1 3.12Å; G53-R101 VanDerWaalsContact CA-NH1 3.27Å; G53-R101 PolarHBondContact O-NH1 2.87Å; T97-R101 WeakPolarHBondContact O-CG 3.37Å; T97-R101 PolarHBondContact O-N 2.95Å; E98-R101 PolarHBondContact O-N 3.41Å; E98-R101 IonicContact OE1-CZ 2.99Å; E98-R101 IonicContact OE1-NE 2.98Å; E98-R101 PolarHBondContact OE1-NE 2.91Å; E98-R101 IonicContact OE1-NH2 2.64Å; E98-R101 PolarHBondContact OE1-NH2 2.92Å; E98-R101 IonicContact OE2-CZ 3.77Å; E98-R101 IonicContact OE2-NH2 2.69Å; E98-R101 PolarHBondContact OE2-NH2 3.02Å; M99-R101 VanDerWaalsContact C-N 3.33Å; M99-R101 PolarHBondContact O-N 3.26Å; R101-F103 VanDerWaalsContact C-N 3.31Å; R101-F103 PolarHBondContact O-N 3.48Å; R101-K104 PolarHBondContact O-N 3.38Å; R101-L105 WeakPolarHBondContact O-CG 3.36Å; R101-L105 PolarHBondContact O-N 3.35Å |
| 102 | A | 91.5 | Very high | 91.2 | Very high | 27 Ų | 27 | 69.6 Ų | 69.6 | 22% | 0.223 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -57.6 | -45.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111 | E98 M99 K104 L105 F106 F155 | E98-A102 PolarHBondContact O-N 3.46Å; M99-A102 PolarHBondContact O-N 3.36Å; A102-K104 VanDerWaalsContact C-N 3.33Å; A102-K104 PolarHBondContact O-N 3.17Å; A102-L105 WeakPolarHBondContact O-CB 3.46Å; A102-L105 PolarHBondContact O-N 2.9Å; A102-F106 VanDerWaalsContact O-CD2 3.22Å; A102-F106 WeakPolarHBondContact O-CD2 3.31Å; A102-F106 PolarHBondContact O-N 3.05Å; A102-F106 VanDerWaalsContact O-N 3.16Å; A102-F155 HydrophobicContact CB-CE1 4.16Å; A102-F155 HydrophobicContact CB-CZ 4.2Å |
| 103 | F | 95.9 | Very high | 91.6 | Very high | 14 Ų | 14 | 65.2 Ų | 65.2 | 6% | 0.061 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -53.9 | -48.4 | 178.5 | -178.7 | -88.7 | 0 | 0 | 0 | 112.3 | M99 V100 R101 L105 F106 D107 G112 I114 L150 N151 L152 F155 | M99-F103 VanDerWaalsContact O-CB 3.29Å; M99-F103 WeakPolarHBondContact O-CB 3.46Å; M99-F103 PolarHBondContact O-N 2.92Å; V100-F103 PolarHBondContact O-N 2.88Å; R101-F103 VanDerWaalsContact C-N 3.31Å; R101-F103 PolarHBondContact O-N 3.48Å; F103-L105 VanDerWaalsContact C-N 3.29Å; F103-L105 PolarHBondContact O-N 3.16Å; F103-F106 PolarHBondContact O-N 3.43Å; F103-F106 VanDerWaalsContact O-N 3.1Å; F103-D107 HydrophobicContact CD1-CB 4.35Å; F103-D107 HydrophobicContact CE1-CB 4.01Å; F103-D107 PolarHBondContact O-N 3.32Å; F103-G112 WeakPolarHBondContact CZ-O 3.31Å; F103-I114 HydrophobicContact CD2-CD1 3.49Å; F103-I114 VanDerWaalsContact CD2-CD1 3.49Å; F103-I114 HydrophobicContact CD2-CG1 3.81Å; F103-I114 HydrophobicContact CE2-CD1 3.88Å; F103-I114 HydrophobicContact CE2-CG1 3.73Å; F103-I114 HydrophobicContact CG-CD1 4.22Å; F103-I114 HydrophobicContact CG-CG1 4.49Å; F103-I114 HydrophobicContact CZ-CG1 4.35Å; F103-L150 WeakPolarHBondContact CE2-O 3.16Å; F103-N151 VanDerWaalsContact CE2-C 3.5Å; F103-L152 HydrophobicContact CB-CD1 3.75Å; F103-L152 HydrophobicContact CD1-CD1 4.07Å; F103-L152 HydrophobicContact CD2-CB 4.45Å; F103-L152 HydrophobicContact CD2-CD1 3.83Å; F103-L152 HydrophobicContact CE2-CB 4.24Å; F103-L152 HydrophobicContact CE2-CD1 4.44Å; F103-L152 HydrophobicContact CG-CD1 3.61Å; F103-L152 HydrophobicContact CZ-CB 4.29Å; F103-F155 HydrophobicContact CB-CD1 3.84Å; F103-F155 HydrophobicContact CB-CE1 3.99Å; F103-F155 HydrophobicContact CD2-CB 3.71Å; F103-F155 AromaticContact CD2-CD1 3.76Å; F103-F155 HydrophobicContact CD2-CD1 3.76Å; F103-F155 AromaticContact CD2-CG 3.81Å; F103-F155 HydrophobicContact CD2-CG 3.81Å; F103-F155 HydrophobicContact CE2-CB 4.09Å; F103-F155 HydrophobicContact CG-CD1 4.31Å |
| 104 | K | 93.8 | Very high | 92 | Very high | 138 Ų | 138 | 63.8 Ų | 63.8 | 60% | 0.6 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -65.3 | -28.9 | 178.2 | -70.4 | -178.9 | 178.3 | -172.7 | 0 | 113.8 | V100 R101 A102 F106 | V100-K104 WeakPolarHBondContact O-CG 3.38Å; V100-K104 PolarHBondContact O-N 3.37Å; V100-K104 VanDerWaalsContact O-N 3.16Å; R101-K104 PolarHBondContact O-N 3.38Å; A102-K104 VanDerWaalsContact C-N 3.33Å; A102-K104 PolarHBondContact O-N 3.17Å; K104-F106 VanDerWaalsContact C-N 3.31Å |
| 105 | L | 91.5 | Very high | 92.5 | Very high | 132 Ų | 132 | 61.7 Ų | 61.7 | 69% | 0.691 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -69.2 | -33.1 | 173.7 | -69.4 | 171.6 | 0 | 0 | 0 | 111.6 | R101 A102 F103 | R101-L105 WeakPolarHBondContact O-CG 3.36Å; R101-L105 PolarHBondContact O-N 3.35Å; A102-L105 WeakPolarHBondContact O-CB 3.46Å; A102-L105 PolarHBondContact O-N 2.9Å; F103-L105 VanDerWaalsContact C-N 3.29Å; F103-L105 PolarHBondContact O-N 3.16Å |
| 106 | F | 94.6 | Very high | 93.1 | Very high | 48 Ų | 48 | 61.2 Ų | 61.2 | 21% | 0.211 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -76.3 | -48.8 | 173.3 | -75.6 | -81.4 | 0 | 0 | 0 | 111.8 | A102 F103 K104 E108 I114 N118 L119 I122 F155 | A102-F106 VanDerWaalsContact O-CD2 3.22Å; A102-F106 WeakPolarHBondContact O-CD2 3.31Å; A102-F106 PolarHBondContact O-N 3.05Å; A102-F106 VanDerWaalsContact O-N 3.16Å; F103-F106 PolarHBondContact O-N 3.43Å; F103-F106 VanDerWaalsContact O-N 3.1Å; K104-F106 VanDerWaalsContact C-N 3.31Å; F106-E108 PolarHBondContact O-N 3.04Å; F106-I114 HydrophobicContact CB-CB 4.37Å; F106-I114 HydrophobicContact CB-CD1 3.54Å; F106-I114 HydrophobicContact CB-CG1 3.59Å; F106-I114 HydrophobicContact CB-CG2 3.94Å; F106-I114 HydrophobicContact CD1-CG2 4.41Å; F106-I114 HydrophobicContact CD2-CD1 4.15Å; F106-I114 HydrophobicContact CG-CD1 4Å; F106-I114 HydrophobicContact CG-CG1 4.48Å; F106-I114 HydrophobicContact CG-CG2 4.37Å; F106-N118 VanDerWaalsContact O-CB 3.25Å; F106-N118 WeakPolarHBondContact O-CB 3.26Å; F106-N118 PolarHBondContact O-ND2 3.28Å; F106-N118 VanDerWaalsContact O-ND2 3.12Å; F106-L119 HydrophobicContact CD1-CD2 3.77Å; F106-L119 HydrophobicContact CE1-CD2 3.72Å; F106-I122 HydrophobicContact CD1-CB 3.88Å; F106-I122 HydrophobicContact CD1-CG1 3.55Å; F106-I122 HydrophobicContact CD1-CG2 4.09Å; F106-I122 HydrophobicContact CE1-CB 3.65Å; F106-I122 HydrophobicContact CE1-CG1 3.85Å; F106-I122 HydrophobicContact CE1-CG2 3.45Å; F106-I122 VanDerWaalsContact CE1-CG2 3.45Å; F106-I122 HydrophobicContact CG-CG1 4.37Å; F106-I122 HydrophobicContact CZ-CG2 3.98Å; F106-F155 HydrophobicContact CD2-CE2 4.36Å; F106-F155 HydrophobicContact CD2-CZ 4.22Å; F106-F155 HydrophobicContact CE2-CE2 4.41Å; F106-F155 HydrophobicContact CE2-CZ 4.25Å |
| 107 | D | 96.4 | Very high | 93.4 | Very high | 7 Ų | 7 | 67.3 Ų | 67.3 | 4% | 0.037 | 34% | 0.341 | C | S | . | . | trans | -77.2 | 58.9 | -179.6 | -174.4 | 29.1 | 0 | 0 | 0 | 112.5 | F103 D109 D110 S111 G112 K113 | F103-D107 HydrophobicContact CD1-CB 4.35Å; F103-D107 HydrophobicContact CE1-CB 4.01Å; F103-D107 PolarHBondContact O-N 3.32Å; D107-D109 PolarHBondContact O-N 3.36Å; D107-D110 PolarHBondContact O-N 3.48Å; D107-D110 VanDerWaalsContact O-N 3.08Å; D107-S111 WeakPolarHBondContact OD1-CB 3.31Å; D107-S111 PolarHBondContact OD1-N 3.11Å; D107-S111 PolarHBondContact OD1-OG 3.38Å; D107-S111 PolarHBondContact OD2-N 3.04Å; D107-G112 VanDerWaalsContact OD2-CA 3.25Å; D107-G112 WeakPolarHBondContact OD2-CA 3.41Å; D107-G112 PolarHBondContact OD2-N 3.06Å; D107-K113 VanDerWaalsContact OD1-O 3.1Å; D107-K113 PolarHBondContact OD2-N 3.39Å | ||
| 108 | E | 90.7 | Very high | 93.8 | Very high | 117 Ų | 117 | 64.3 Ų | 64.3 | 55% | 0.547 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -29.1 | -176.8 | -175.1 | -169.9 | -173 | 0 | 0 | 114 | F106 D110 K121 | F106-E108 PolarHBondContact O-N 3.04Å; E108-D110 VanDerWaalsContact C-N 3.27Å; E108-K121 IonicContact OE1-NZ 2.73Å; E108-K121 PolarHBondContact OE1-NZ 2.84Å; E108-K121 WeakPolarHBondContact OE2-CD 3.11Å; E108-K121 WeakPolarHBondContact OE2-CE 3.28Å; E108-K121 IonicContact OE2-NZ 2.64Å; E108-K121 PolarHBondContact OE2-NZ 2.89Å |
| 109 | D | 92.2 | Very high | 94.1 | Very high | 97 Ų | 97 | 62.2 Ų | 62.2 | 52% | 0.519 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | 8.7 | 178.6 | 56.6 | -32.3 | 0 | 0 | 0 | 113.8 | D107 S111 N118 | D107-D109 PolarHBondContact O-N 3.36Å; D109-S111 PolarHBondContact O-N 2.89Å; D109-S111 VanDerWaalsContact O-N 3.15Å; D109-N118 PolarHBondContact OD1-ND2 3.02Å |
| 110 | D | 93.2 | Very high | 94.2 | Very high | 139 Ų | 139 | 63.5 Ų | 63.5 | 74% | 0.743 | 32% | 0.318 | S | S | * | . | trans | 49.6 | 36.8 | -179.1 | -72.4 | -49.5 | 0 | 0 | 0 | 111.8 | D107 E108 G112 | D107-D110 PolarHBondContact O-N 3.48Å; D107-D110 VanDerWaalsContact O-N 3.08Å; E108-D110 VanDerWaalsContact C-N 3.27Å; D110-G112 PolarHBondContact O-N 3.45Å | ||
| 111 | S | 94.8 | Very high | 94.3 | Very high | 56 Ų | 56 | 65.1 Ų | 65.1 | 39% | 0.392 | 32% | 0.322 | S | S | . | . | trans | -74.9 | -14.5 | -177 | 72.9 | 0 | 0 | 0 | 0 | 112.4 | D107 D109 K113 | D107-S111 WeakPolarHBondContact OD1-CB 3.31Å; D107-S111 PolarHBondContact OD1-N 3.11Å; D107-S111 PolarHBondContact OD1-OG 3.38Å; D107-S111 PolarHBondContact OD2-N 3.04Å; D109-S111 PolarHBondContact O-N 2.89Å; D109-S111 VanDerWaalsContact O-N 3.15Å; S111-K113 VanDerWaalsContact C-N 3.34Å; S111-K113 PolarHBondContact OG-N 2.87Å; S111-K113 PolarHBondContact OG-O 3.41Å | ||
| 112 | G | 96.4 | Very high | 94.4 | Very high | 44 Ų | 44 | 63.1 Ų | 63.1 | 45% | 0.454 | 32% | 0.316 | S | S | . | . | S | Bend | trans | 85.6 | 6.6 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | F103 D107 D110 | F103-G112 WeakPolarHBondContact CZ-O 3.31Å; D107-G112 VanDerWaalsContact OD2-CA 3.25Å; D107-G112 WeakPolarHBondContact OD2-CA 3.41Å; D107-G112 PolarHBondContact OD2-N 3.06Å; D110-G112 PolarHBondContact O-N 3.45Å |
| 113 | K | 97.5 | Very high | 94.4 | Very high | 46 Ų | 46 | 62.3 Ų | 62.3 | 20% | 0.2 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -154.4 | 152 | -178.8 | 64.3 | -177.5 | -172.9 | 174 | 0 | 114.1 | D107 S111 T115 D147 L150 | D107-K113 VanDerWaalsContact OD1-O 3.1Å; D107-K113 PolarHBondContact OD2-N 3.39Å; S111-K113 VanDerWaalsContact C-N 3.34Å; S111-K113 PolarHBondContact OG-N 2.87Å; S111-K113 PolarHBondContact OG-O 3.41Å; K113-T115 HydrophobicContact CD-CG2 4.47Å; K113-T115 HydrophobicContact CG-CG2 4.06Å; K113-T115 PolarHBondContact O-N 3.5Å; K113-D147 WeakPolarHBondContact CD-OD1 3.5Å; K113-D147 WeakPolarHBondContact CD-OD2 3.42Å; K113-D147 PolarHBondContact NZ-O 3.32Å; K113-D147 IonicContact NZ-OD1 2.77Å; K113-D147 PolarHBondContact NZ-OD1 3Å; K113-D147 IonicContact NZ-OD2 2.73Å; K113-D147 PolarHBondContact NZ-OD2 3Å; K113-L150 CarbonylContact C-O 3.5Å; K113-L150 VanDerWaalsContact CA-O 3.25Å; K113-L150 WeakPolarHBondContact CA-O 3.35Å; K113-L150 WeakPolarHBondContact CB-O 3.24Å |
| 114 | I | 97.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 104.1 | 174.5 | -59.6 | 172.5 | 0 | 0 | 0 | 108.6 | F103 F106 N118 L119 G149 L150 F155 | F103-I114 HydrophobicContact CD2-CD1 3.49Å; F103-I114 VanDerWaalsContact CD2-CD1 3.49Å; F103-I114 HydrophobicContact CD2-CG1 3.81Å; F103-I114 HydrophobicContact CE2-CD1 3.88Å; F103-I114 HydrophobicContact CE2-CG1 3.73Å; F103-I114 HydrophobicContact CG-CD1 4.22Å; F103-I114 HydrophobicContact CG-CG1 4.49Å; F103-I114 HydrophobicContact CZ-CG1 4.35Å; F106-I114 HydrophobicContact CB-CB 4.37Å; F106-I114 HydrophobicContact CB-CD1 3.54Å; F106-I114 HydrophobicContact CB-CG1 3.59Å; F106-I114 HydrophobicContact CB-CG2 3.94Å; F106-I114 HydrophobicContact CD1-CG2 4.41Å; F106-I114 HydrophobicContact CD2-CD1 4.15Å; F106-I114 HydrophobicContact CG-CD1 4Å; F106-I114 HydrophobicContact CG-CG1 4.48Å; F106-I114 HydrophobicContact CG-CG2 4.37Å; I114-N118 HydrophobicContact CG2-CB 4.22Å; I114-L119 HydrophobicContact CG2-CD1 4.17Å; I114-L119 HydrophobicContact CG2-CD2 3.67Å; I114-L119 HydrophobicContact CG2-CG 3.56Å; I114-G149 CarbonylContact O-C 3.51Å; I114-G149 VanDerWaalsContact O-CA 3.31Å; I114-G149 WeakPolarHBondContact O-CA 3.47Å; I114-L150 HydrophobicContact CB-CB 4.35Å; I114-L150 PolarHBondContact N-O 2.98Å; I114-L150 PolarHBondContact O-N 3.42Å; I114-F155 HydrophobicContact CD1-CB 4.27Å; I114-F155 HydrophobicContact CD1-CD1 4.31Å; I114-F155 HydrophobicContact CD1-CD2 3.39Å; I114-F155 HydrophobicContact CD1-CE2 3.68Å; I114-F155 HydrophobicContact CD1-CG 3.73Å; I114-F155 HydrophobicContact CD1-CZ 4.25Å |
| 115 | T | 96.3 | Very high | 94 | Very high | 30 Ų | 30 | 68.1 Ų | 68.1 | 18% | 0.184 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 168.7 | 176.6 | 75.8 | 0 | 0 | 0 | 0 | 112.1 | K113 R117 N118 L119 | K113-T115 HydrophobicContact CD-CG2 4.47Å; K113-T115 HydrophobicContact CG-CG2 4.06Å; K113-T115 PolarHBondContact O-N 3.5Å; T115-R117 PolarHBondContact O-N 3.13Å; T115-R117 VanDerWaalsContact O-N 3.16Å; T115-R117 PolarHBondContact OG1-N 3.38Å; T115-N118 WeakPolarHBondContact CB-OD1 3.36Å; T115-N118 PolarHBondContact N-OD1 3.04Å; T115-N118 WeakPolarHBondContact O-CB 3.38Å; T115-N118 PolarHBondContact O-N 3.32Å; T115-N118 PolarHBondContact OG1-N 3.32Å; T115-N118 PolarHBondContact OG1-OD1 3.32Å; T115-L119 PolarHBondContact O-N 2.88Å |
| 116 | Y | 95.6 | Very high | 93.9 | Very high | 51 Ų | 51 | 67.8 Ų | 67.8 | 20% | 0.2 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -52.4 | -35.8 | 170.4 | 165 | -95.2 | 0 | 0 | 0 | 113.1 | K120 D132 L135 R136 | Y116-K120 HydrophobicContact CE1-CD 3.99Å; Y116-K120 HydrophobicContact CE2-CD 4.46Å; Y116-K120 VanDerWaalsContact O-CB 3.22Å; Y116-K120 WeakPolarHBondContact O-CB 3.43Å; Y116-K120 PolarHBondContact O-N 3.04Å; Y116-K120 WeakPolarHBondContact OH-CD 3.36Å; Y116-K120 PolarHBondContact OH-NZ 2.86Å; Y116-D132 HydrophobicContact CE2-CB 4.43Å; Y116-D132 PolarHBondContact OH-OD1 3.46Å; Y116-D132 PolarHBondContact OH-OD2 3.5Å; Y116-L135 HydrophobicContact CD2-CB 3.87Å; Y116-L135 HydrophobicContact CE2-CB 3.84Å; Y116-L135 HydrophobicContact CE2-CD1 4.12Å; Y116-R136 HydrophobicContact CD2-CG 3.92Å; Y116-R136 HydrophobicContact CE2-CG 4.2Å |
| 117 | R | 95.2 | Very high | 93.7 | Very high | 200 Ų | 200 | 68 Ų | 68 | 76% | 0.755 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -66.7 | -42.6 | 178.2 | -179.2 | -177.9 | 171.3 | 179.2 | -5.1 | 111.1 | T115 K121 | T115-R117 PolarHBondContact O-N 3.13Å; T115-R117 VanDerWaalsContact O-N 3.16Å; T115-R117 PolarHBondContact OG1-N 3.38Å; R117-K121 WeakPolarHBondContact O-CB 3.38Å; R117-K121 PolarHBondContact O-N 3.08Å |
| 118 | N | 95.4 | Very high | 93.5 | Very high | 9 Ų | 9 | 73.2 Ų | 73.2 | 5% | 0.048 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -61 | -52.1 | 176.9 | -59.1 | 101.5 | 0 | 0 | 0 | 110.2 | F106 D109 I114 T115 K120 K121 I122 | F106-N118 VanDerWaalsContact O-CB 3.25Å; F106-N118 WeakPolarHBondContact O-CB 3.26Å; F106-N118 PolarHBondContact O-ND2 3.28Å; F106-N118 VanDerWaalsContact O-ND2 3.12Å; D109-N118 PolarHBondContact OD1-ND2 3.02Å; I114-N118 HydrophobicContact CG2-CB 4.22Å; T115-N118 WeakPolarHBondContact CB-OD1 3.36Å; T115-N118 PolarHBondContact N-OD1 3.04Å; T115-N118 WeakPolarHBondContact O-CB 3.38Å; T115-N118 PolarHBondContact O-N 3.32Å; T115-N118 PolarHBondContact OG1-N 3.32Å; T115-N118 PolarHBondContact OG1-OD1 3.32Å; N118-K120 PolarHBondContact O-N 2.97Å; N118-K121 WeakPolarHBondContact O-CB 3.49Å; N118-K121 PolarHBondContact O-N 2.74Å; N118-K121 VanDerWaalsContact O-N 3.13Å; N118-I122 PolarHBondContact O-N 3.02Å |
| 119 | L | 93.8 | Very high | 93.3 | Very high | 9 Ų | 9 | 75.2 Ų | 75.2 | 5% | 0.047 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -60 | -43.1 | 178.6 | -70.7 | 171.3 | 0 | 0 | 0 | 112.8 | F106 I114 T115 K121 I122 S123 L135 M138 I139 | F106-L119 HydrophobicContact CD1-CD2 3.77Å; F106-L119 HydrophobicContact CE1-CD2 3.72Å; I114-L119 HydrophobicContact CG2-CD1 4.17Å; I114-L119 HydrophobicContact CG2-CD2 3.67Å; I114-L119 HydrophobicContact CG2-CG 3.56Å; T115-L119 PolarHBondContact O-N 2.88Å; L119-K121 VanDerWaalsContact C-N 3.28Å; L119-K121 PolarHBondContact O-N 3.33Å; L119-I122 PolarHBondContact O-N 3.2Å; L119-S123 WeakPolarHBondContact O-CB 3.24Å; L119-S123 PolarHBondContact O-N 3.2Å; L119-L135 HydrophobicContact CB-CD2 4.19Å; L119-M138 HydrophobicContact CD1-CE 3.42Å; L119-M138 VanDerWaalsContact CD1-CE 3.42Å; L119-M138 HydrophobicContact CD2-CE 3.42Å; L119-M138 VanDerWaalsContact CD2-CE 3.42Å; L119-M138 HydrophobicContact CG-CE 3.94Å; L119-I139 HydrophobicContact CD1-CD1 3.86Å; L119-I139 HydrophobicContact CD1-CG1 3.57Å |
| 120 | K | 94.6 | Very high | 93.2 | Very high | 57 Ų | 57 | 74.2 Ų | 74.2 | 25% | 0.248 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -63.6 | -35.1 | 177.7 | -173.7 | 166.7 | -171.4 | 161.1 | 0 | 112.3 | Y116 N118 K124 D132 L135 | Y116-K120 HydrophobicContact CE1-CD 3.99Å; Y116-K120 HydrophobicContact CE2-CD 4.46Å; Y116-K120 VanDerWaalsContact O-CB 3.22Å; Y116-K120 WeakPolarHBondContact O-CB 3.43Å; Y116-K120 PolarHBondContact O-N 3.04Å; Y116-K120 WeakPolarHBondContact OH-CD 3.36Å; Y116-K120 PolarHBondContact OH-NZ 2.86Å; N118-K120 PolarHBondContact O-N 2.97Å; K120-K124 WeakPolarHBondContact O-CG 3.38Å; K120-K124 PolarHBondContact O-N 3.48Å; K120-D132 WeakPolarHBondContact CE-OD1 3.38Å; K120-D132 VanDerWaalsContact NZ-CG 3.34Å; K120-D132 IonicContact NZ-OD1 2.7Å; K120-D132 PolarHBondContact NZ-OD1 3.49Å; K120-D132 IonicContact NZ-OD2 3.17Å; K120-D132 PolarHBondContact NZ-OD2 2.67Å; K120-L135 HydrophobicContact CB-CD1 3.84Å; K120-L135 HydrophobicContact CG-CD1 4.11Å |
| 121 | K | 93.9 | Very high | 93.3 | Very high | 76 Ų | 76 | 70 Ų | 70 | 33% | 0.33 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -66.3 | -53.6 | 175.6 | -179.8 | 176.4 | 169.5 | 176.2 | 0 | 110.1 | E108 R117 N118 L119 S123 K124 E125 | E108-K121 IonicContact OE1-NZ 2.73Å; E108-K121 PolarHBondContact OE1-NZ 2.84Å; E108-K121 WeakPolarHBondContact OE2-CD 3.11Å; E108-K121 WeakPolarHBondContact OE2-CE 3.28Å; E108-K121 IonicContact OE2-NZ 2.64Å; E108-K121 PolarHBondContact OE2-NZ 2.89Å; R117-K121 WeakPolarHBondContact O-CB 3.38Å; R117-K121 PolarHBondContact O-N 3.08Å; N118-K121 WeakPolarHBondContact O-CB 3.49Å; N118-K121 PolarHBondContact O-N 2.74Å; N118-K121 VanDerWaalsContact O-N 3.13Å; L119-K121 VanDerWaalsContact C-N 3.28Å; L119-K121 PolarHBondContact O-N 3.33Å; K121-S123 PolarHBondContact O-N 3.27Å; K121-K124 WeakPolarHBondContact O-CB 3.4Å; K121-K124 PolarHBondContact O-N 3.28Å; K121-K124 VanDerWaalsContact O-N 3.13Å; K121-E125 WeakPolarHBondContact CE-OE1 3.22Å; K121-E125 IonicContact NZ-OE1 3.83Å; K121-E125 WeakPolarHBondContact O-CG 3.16Å; K121-E125 PolarHBondContact O-N 3.47Å |
| 122 | I | 91.1 | Very high | 93.3 | Very high | 29 Ų | 29 | 70.4 Ų | 70.4 | 15% | 0.149 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62.5 | -42 | -178.7 | -61.5 | -58.6 | 0 | 0 | 0 | 112 | F106 N118 L119 K124 E125 L126 | F106-I122 HydrophobicContact CD1-CB 3.88Å; F106-I122 HydrophobicContact CD1-CG1 3.55Å; F106-I122 HydrophobicContact CD1-CG2 4.09Å; F106-I122 HydrophobicContact CE1-CB 3.65Å; F106-I122 HydrophobicContact CE1-CG1 3.85Å; F106-I122 HydrophobicContact CE1-CG2 3.45Å; F106-I122 VanDerWaalsContact CE1-CG2 3.45Å; F106-I122 HydrophobicContact CG-CG1 4.37Å; F106-I122 HydrophobicContact CZ-CG2 3.98Å; N118-I122 PolarHBondContact O-N 3.02Å; L119-I122 PolarHBondContact O-N 3.2Å; I122-K124 VanDerWaalsContact C-N 3.26Å; I122-K124 PolarHBondContact O-N 2.67Å; I122-E125 PolarHBondContact O-N 2.8Å; I122-E125 VanDerWaalsContact O-N 3.1Å; I122-L126 HydrophobicContact CG2-CD1 3.8Å; I122-L126 HydrophobicContact CG2-CG 4.14Å; I122-L126 WeakPolarHBondContact O-CG 3.35Å; I122-L126 PolarHBondContact O-N 2.86Å |
| 123 | S | 91.6 | Very high | 93.3 | Very high | 10 Ų | 10 | 75.9 Ų | 75.9 | 7% | 0.07 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -54.8 | -42.8 | 175 | -174.3 | 0 | 0 | 0 | 0 | 111.8 | L119 K121 G127 E128 | L119-S123 WeakPolarHBondContact O-CB 3.24Å; L119-S123 PolarHBondContact O-N 3.2Å; K121-S123 PolarHBondContact O-N 3.27Å; S123-G127 PolarHBondContact O-N 3.34Å; S123-E128 PolarHBondContact O-N 3.22Å; S123-E128 VanDerWaalsContact O-O 3.11Å; S123-E128 PolarHBondContact OG-O 3.1Å |
| 124 | K | 92.2 | Very high | 93.1 | Very high | 150 Ų | 150 | 78.6 Ų | 78.6 | 65% | 0.652 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -68.7 | -38.9 | 177.4 | -74 | 177.8 | 176.5 | -171.2 | 0 | 112.8 | K120 K121 I122 L126 G127 | K120-K124 WeakPolarHBondContact O-CG 3.38Å; K120-K124 PolarHBondContact O-N 3.48Å; K121-K124 WeakPolarHBondContact O-CB 3.4Å; K121-K124 PolarHBondContact O-N 3.28Å; K121-K124 VanDerWaalsContact O-N 3.13Å; I122-K124 VanDerWaalsContact C-N 3.26Å; I122-K124 PolarHBondContact O-N 2.67Å; K124-L126 VanDerWaalsContact C-N 3.33Å; K124-G127 PolarHBondContact O-N 2.92Å |
| 125 | E | 90.5 | Very high | 93 | Very high | 124 Ų | 124 | 78.8 Ų | 78.8 | 58% | 0.579 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -66.6 | -36.3 | 178.5 | -71.7 | 177 | 177.8 | 0 | 0 | 111.9 | K121 I122 G127 | K121-E125 WeakPolarHBondContact CE-OE1 3.22Å; K121-E125 IonicContact NZ-OE1 3.83Å; K121-E125 WeakPolarHBondContact O-CG 3.16Å; K121-E125 PolarHBondContact O-N 3.47Å; I122-E125 PolarHBondContact O-N 2.8Å; I122-E125 VanDerWaalsContact O-N 3.1Å; E125-G127 PolarHBondContact O-N 3.44Å |
| 126 | L | 88.9 | Confident | 93 | Very high | 125 Ų | 125 | 82.9 Ų | 82.9 | 65% | 0.654 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -6.8 | 174 | -63.2 | 178.1 | 0 | 0 | 0 | 113.4 | I122 K124 E128 | I122-L126 HydrophobicContact CG2-CD1 3.8Å; I122-L126 HydrophobicContact CG2-CG 4.14Å; I122-L126 WeakPolarHBondContact O-CG 3.35Å; I122-L126 PolarHBondContact O-N 2.86Å; K124-L126 VanDerWaalsContact C-N 3.33Å; L126-E128 HydrophobicContact CB-CG 4.12Å; L126-E128 PolarHBondContact O-N 2.88Å |
| 127 | G | 91.3 | Very high | 92.9 | Very high | 52 Ų | 52 | 82.6 Ų | 82.6 | 54% | 0.536 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.9 | 13.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | S123 K124 E125 | S123-G127 PolarHBondContact O-N 3.34Å; K124-G127 PolarHBondContact O-N 2.92Å; E125-G127 PolarHBondContact O-N 3.44Å |
| 128 | E | 90.8 | Very high | 92.7 | Very high | 117 Ų | 117 | 76 Ų | 76 | 55% | 0.547 | 39% | 0.389 | S | S | . | . | trans | -76.8 | 127.6 | 175.5 | -70.9 | -65 | 162.8 | 0 | 0 | 110.1 | S123 L126 L130 | S123-E128 PolarHBondContact O-N 3.22Å; S123-E128 VanDerWaalsContact O-O 3.11Å; S123-E128 PolarHBondContact OG-O 3.1Å; L126-E128 HydrophobicContact CB-CG 4.12Å; L126-E128 PolarHBondContact O-N 2.88Å; E128-L130 VanDerWaalsContact C-N 3.35Å; E128-L130 PolarHBondContact O-N 3.48Å | ||
| 129 | N | 86.2 | Confident | 92.7 | Very high | 159 Ų | 159 | 76 Ų | 76 | 85% | 0.85 | 39% | 0.389 | S | S | * | . | trans | -94.9 | 57.7 | -177.1 | -71 | -48 | 0 | 0 | 0 | 111.6 | ||||
| 130 | L | 91.1 | Very high | 92.8 | Very high | 75 Ų | 75 | 82.4 Ų | 82.4 | 39% | 0.393 | 42% | 0.418 | S | S | . | . | trans | -76.3 | 132.7 | 174.1 | -62.1 | 175.7 | 0 | 0 | 0 | 110.5 | E128 L135 | E128-L130 VanDerWaalsContact C-N 3.35Å; E128-L130 PolarHBondContact O-N 3.48Å; L130-L135 HydrophobicContact CB-CD2 3.81Å; L130-L135 HydrophobicContact CB-CG 3.94Å; L130-L135 HydrophobicContact CD1-CD2 3.68Å; L130-L135 HydrophobicContact CG-CD2 4.41Å | ||
| 131 | S | 94.4 | Very high | 92.8 | Very high | 50 Ų | 50 | 86 Ų | 86 | 35% | 0.35 | 44% | 0.436 | S | S | . | . | trans | -70.3 | 157.4 | 175 | 68.4 | 0 | 0 | 0 | 0 | 111.5 | Q133 E134 L135 | S131-Q133 PolarHBondContact O-N 3.36Å; S131-Q133 VanDerWaalsContact O-N 3.11Å; S131-E134 VanDerWaalsContact CB-OE2 3.25Å; S131-E134 WeakPolarHBondContact CB-OE2 3.44Å; S131-E134 PolarHBondContact N-OE2 3.19Å; S131-E134 PolarHBondContact O-N 3.16Å; S131-E134 VanDerWaalsContact O-N 3.12Å; S131-E134 VanDerWaalsContact OG-CG 3.32Å; S131-E134 WeakPolarHBondContact OG-CG 3.24Å; S131-E134 PolarHBondContact OG-N 3.07Å; S131-E134 PolarHBondContact OG-OE2 2.96Å; S131-L135 WeakPolarHBondContact O-CG 3.5Å; S131-L135 PolarHBondContact O-N 2.88Å | ||
| 132 | D | 95.4 | Very high | 92.8 | Very high | 65 Ų | 65 | 83.1 Ų | 83.1 | 35% | 0.348 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -60 | -23.4 | 174.7 | -73.5 | -13.5 | 0 | 0 | 0 | 112.9 | Y116 K120 R136 | Y116-D132 HydrophobicContact CE2-CB 4.43Å; Y116-D132 PolarHBondContact OH-OD1 3.46Å; Y116-D132 PolarHBondContact OH-OD2 3.5Å; K120-D132 WeakPolarHBondContact CE-OD1 3.38Å; K120-D132 VanDerWaalsContact NZ-CG 3.34Å; K120-D132 IonicContact NZ-OD1 2.7Å; K120-D132 PolarHBondContact NZ-OD1 3.49Å; K120-D132 IonicContact NZ-OD2 3.17Å; K120-D132 PolarHBondContact NZ-OD2 2.67Å; D132-R136 VanDerWaalsContact O-CG 3.28Å; D132-R136 WeakPolarHBondContact O-CG 3.4Å; D132-R136 PolarHBondContact O-N 2.86Å; D132-R136 PolarHBondContact O-NH1 3.13Å |
| 133 | Q | 96 | Very high | 93.1 | Very high | 159 Ų | 159 | 83.1 Ų | 83.1 | 74% | 0.743 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -76.9 | -44.3 | 175.5 | -173.2 | 174.8 | 14.4 | 0 | 0 | 111.2 | S131 R136 A137 | S131-Q133 PolarHBondContact O-N 3.36Å; S131-Q133 VanDerWaalsContact O-N 3.11Å; Q133-R136 PolarHBondContact O-N 2.58Å; Q133-A137 WeakPolarHBondContact O-CB 3.39Å; Q133-A137 PolarHBondContact O-N 3.23Å |
| 134 | E | 94.5 | Very high | 93.2 | Very high | 104 Ų | 104 | 89.2 Ų | 89.2 | 49% | 0.486 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -63.7 | -42.9 | 177.5 | -72.6 | 160.3 | 134.8 | 0 | 0 | 111.7 | S131 R136 A137 M138 | S131-E134 VanDerWaalsContact CB-OE2 3.25Å; S131-E134 WeakPolarHBondContact CB-OE2 3.44Å; S131-E134 PolarHBondContact N-OE2 3.19Å; S131-E134 PolarHBondContact O-N 3.16Å; S131-E134 VanDerWaalsContact O-N 3.12Å; S131-E134 VanDerWaalsContact OG-CG 3.32Å; S131-E134 WeakPolarHBondContact OG-CG 3.24Å; S131-E134 PolarHBondContact OG-N 3.07Å; S131-E134 PolarHBondContact OG-OE2 2.96Å; E134-R136 VanDerWaalsContact C-N 3.34Å; E134-R136 PolarHBondContact O-N 2.82Å; E134-A137 PolarHBondContact O-N 3.37Å; E134-M138 PolarHBondContact O-N 3.18Å |
| 135 | L | 94.3 | Very high | 93.4 | Very high | 4 Ų | 4 | 86.7 Ų | 86.7 | 2% | 0.021 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -63.7 | -38.4 | 177.5 | -67.1 | 176.7 | 0 | 0 | 0 | 112.5 | Y116 L119 K120 L130 S131 I139 | Y116-L135 HydrophobicContact CD2-CB 3.87Å; Y116-L135 HydrophobicContact CE2-CB 3.84Å; Y116-L135 HydrophobicContact CE2-CD1 4.12Å; L119-L135 HydrophobicContact CB-CD2 4.19Å; K120-L135 HydrophobicContact CB-CD1 3.84Å; K120-L135 HydrophobicContact CG-CD1 4.11Å; L130-L135 HydrophobicContact CB-CD2 3.81Å; L130-L135 HydrophobicContact CB-CG 3.94Å; L130-L135 HydrophobicContact CD1-CD2 3.68Å; L130-L135 HydrophobicContact CG-CD2 4.41Å; S131-L135 WeakPolarHBondContact O-CG 3.5Å; S131-L135 PolarHBondContact O-N 2.88Å; L135-I139 PolarHBondContact O-N 3.27Å |
| 136 | R | 95.6 | Very high | 93.6 | Very high | 116 Ų | 116 | 83.6 Ų | 83.6 | 44% | 0.438 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -69.7 | -44.1 | 175 | -76.5 | -175.5 | -171.9 | 104.6 | 0 | 111.5 | Y116 D132 Q133 E134 M138 I139 E140 | Y116-R136 HydrophobicContact CD2-CG 3.92Å; Y116-R136 HydrophobicContact CE2-CG 4.2Å; D132-R136 VanDerWaalsContact O-CG 3.28Å; D132-R136 WeakPolarHBondContact O-CG 3.4Å; D132-R136 PolarHBondContact O-N 2.86Å; D132-R136 PolarHBondContact O-NH1 3.13Å; Q133-R136 PolarHBondContact O-N 2.58Å; E134-R136 VanDerWaalsContact C-N 3.34Å; E134-R136 PolarHBondContact O-N 2.82Å; R136-M138 PolarHBondContact O-N 3.07Å; R136-I139 PolarHBondContact O-N 3.14Å; R136-E140 WeakPolarHBondContact O-CB 3.35Å; R136-E140 WeakPolarHBondContact O-CG 3.46Å; R136-E140 PolarHBondContact O-N 3.5Å |
| 137 | A | 94.7 | Very high | 93.9 | Very high | 45 Ų | 45 | 81.2 Ų | 81.2 | 37% | 0.372 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -58 | -39.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q133 E134 I139 E140 E141 | Q133-A137 WeakPolarHBondContact O-CB 3.39Å; Q133-A137 PolarHBondContact O-N 3.23Å; E134-A137 PolarHBondContact O-N 3.37Å; A137-I139 VanDerWaalsContact C-N 3.29Å; A137-I139 PolarHBondContact O-N 3.3Å; A137-E140 PolarHBondContact O-N 3.49Å; A137-E141 WeakPolarHBondContact O-CB 3.4Å; A137-E141 PolarHBondContact O-N 3.04Å |
| 138 | M | 91.4 | Very high | 94.1 | Very high | 62 Ų | 62 | 80.8 Ų | 80.8 | 31% | 0.305 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62.9 | -34.3 | 176.8 | -171.7 | 168.3 | 73 | 0 | 0 | 113.1 | L119 E134 R136 L158 | L119-M138 HydrophobicContact CD1-CE 3.42Å; L119-M138 VanDerWaalsContact CD1-CE 3.42Å; L119-M138 HydrophobicContact CD2-CE 3.42Å; L119-M138 VanDerWaalsContact CD2-CE 3.42Å; L119-M138 HydrophobicContact CG-CE 3.94Å; E134-M138 PolarHBondContact O-N 3.18Å; R136-M138 PolarHBondContact O-N 3.07Å; M138-L158 HydrophobicContact CG-CD1 3.75Å; M138-L158 HydrophobicContact SD-CD1 4.29Å |
| 139 | I | 95.2 | Very high | 94.4 | Very high | 8 Ų | 8 | 75.2 Ų | 75.2 | 4% | 0.041 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -75.3 | -51.7 | 174.3 | -61 | 174.2 | 0 | 0 | 0 | 109.6 | L119 L135 R136 A137 E141 F142 D143 L150 | L119-I139 HydrophobicContact CD1-CD1 3.86Å; L119-I139 HydrophobicContact CD1-CG1 3.57Å; L135-I139 PolarHBondContact O-N 3.27Å; R136-I139 PolarHBondContact O-N 3.14Å; A137-I139 VanDerWaalsContact C-N 3.29Å; A137-I139 PolarHBondContact O-N 3.3Å; I139-E141 PolarHBondContact O-N 3.2Å; I139-E141 VanDerWaalsContact O-N 3.11Å; I139-F142 PolarHBondContact O-N 3.5Å; I139-D143 HydrophobicContact CG2-CB 3.92Å; I139-D143 WeakPolarHBondContact O-CB 3.47Å; I139-D143 PolarHBondContact O-N 3.42Å; I139-L150 HydrophobicContact CG2-CD2 4.28Å; I139-L150 HydrophobicContact CG2-CG 4.5Å |
| 140 | E | 95.3 | Very high | 94.9 | Very high | 143 Ų | 143 | 67.7 Ų | 67.7 | 67% | 0.668 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -57.4 | -28.9 | -177.1 | -71.5 | 171.1 | -169.2 | 0 | 0 | 113.2 | R136 A137 | R136-E140 WeakPolarHBondContact O-CB 3.35Å; R136-E140 WeakPolarHBondContact O-CG 3.46Å; R136-E140 PolarHBondContact O-N 3.5Å; A137-E140 PolarHBondContact O-N 3.49Å |
| 141 | E | 93.8 | Very high | 95.2 | Very high | 132 Ų | 132 | 66 Ų | 66 | 62% | 0.617 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -70.1 | -30.8 | 177.2 | -173.5 | 175.4 | -176 | 0 | 0 | 113.1 | A137 I139 | A137-E141 WeakPolarHBondContact O-CB 3.4Å; A137-E141 PolarHBondContact O-N 3.04Å; I139-E141 PolarHBondContact O-N 3.2Å; I139-E141 VanDerWaalsContact O-N 3.11Å |
| 142 | F | 94.8 | Very high | 95.3 | Very high | 16 Ų | 16 | 66.7 Ų | 66.7 | 7% | 0.07 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -119.6 | -12.6 | -172.1 | -69.4 | -85.6 | 0 | 0 | 0 | 114.9 | I139 R144 L150 E154 A157 L158 I163 | I139-F142 PolarHBondContact O-N 3.5Å; F142-R144 PolarHBondContact O-N 2.95Å; F142-L150 HydrophobicContact CB-CD2 3.64Å; F142-E154 WeakPolarHBondContact O-CB 3.3Å; F142-E154 VanDerWaalsContact O-CG 3.24Å; F142-E154 WeakPolarHBondContact O-CG 3.2Å; F142-A157 HydrophobicContact CD1-CB 4.2Å; F142-L158 HydrophobicContact CB-CB 4.38Å; F142-L158 HydrophobicContact CD1-CB 3.85Å; F142-L158 HydrophobicContact CD2-CB 3.89Å; F142-L158 HydrophobicContact CD2-CD1 3.84Å; F142-L158 HydrophobicContact CD2-CG 3.91Å; F142-L158 VanDerWaalsContact CE1-CA 3.4Å; F142-L158 HydrophobicContact CE1-CB 4.08Å; F142-L158 HydrophobicContact CE2-CB 4.12Å; F142-L158 HydrophobicContact CE2-CD1 4.3Å; F142-L158 HydrophobicContact CE2-CG 3.97Å; F142-L158 HydrophobicContact CG-CB 3.76Å; F142-L158 HydrophobicContact CG-CD1 4.31Å; F142-L158 HydrophobicContact CG-CG 4.3Å; F142-L158 HydrophobicContact CZ-CB 4.21Å; F142-L158 HydrophobicContact CZ-CG 4.41Å; F142-I163 HydrophobicContact CE1-CG1 4.47Å |
| 143 | D | 96.6 | Very high | 95.3 | Very high | 29 Ų | 29 | 70.5 Ų | 70.5 | 16% | 0.155 | 36% | 0.364 | C | S | . | . | trans | -72.3 | 90.9 | 174.1 | 178.1 | 5 | 0 | 0 | 0 | 109.8 | I139 G146 D147 G148 L150 | I139-D143 HydrophobicContact CG2-CB 3.92Å; I139-D143 WeakPolarHBondContact O-CB 3.47Å; I139-D143 PolarHBondContact O-N 3.42Å; D143-G146 WeakPolarHBondContact OD1-CA 3.47Å; D143-G146 PolarHBondContact OD1-N 3.5Å; D143-D147 PolarHBondContact OD1-N 3.32Å; D143-D147 VanDerWaalsContact OD1-N 3.15Å; D143-D147 PolarHBondContact OD2-N 2.91Å; D143-G148 VanDerWaalsContact OD2-CA 3.24Å; D143-G148 WeakPolarHBondContact OD2-CA 3.12Å; D143-G148 PolarHBondContact OD2-N 2.81Å; D143-L150 HydrophobicContact CB-CD2 4.17Å | ||
| 144 | R | 94.4 | Very high | 95.3 | Very high | 138 Ų | 138 | 63.2 Ų | 63.2 | 52% | 0.521 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -82.5 | -30.7 | -173.5 | -68.9 | 175.8 | -178.7 | -166.4 | -6.5 | 111.7 | F142 E154 I163 | F142-R144 PolarHBondContact O-N 2.95Å; R144-E154 PolarHBondContact N-OE1 2.98Å; R144-I163 PolarHBondContact NH2-OXT 3.32Å |
| 145 | D | 95.4 | Very high | 95.3 | Very high | 98 Ų | 98 | 58.6 Ų | 58.6 | 52% | 0.524 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -87.8 | -12.9 | 178.6 | 70.8 | 19.5 | 0 | 0 | 0 | 113.7 | D147 E154 | D145-D147 WeakPolarHBondContact OD1-CB 3.27Å; D145-D147 PolarHBondContact OD1-N 3.39Å; D145-E154 PolarHBondContact N-OE1 3.13Å |
| 146 | G | 94.9 | Very high | 95.3 | Very high | 59 Ų | 59 | 60.4 Ų | 60.4 | 61% | 0.608 | 32% | 0.317 | S | S | * | . | trans | 76.1 | 24 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | D143 G148 | D143-G146 WeakPolarHBondContact OD1-CA 3.47Å; D143-G146 PolarHBondContact OD1-N 3.5Å; G146-G148 VanDerWaalsContact C-N 3.28Å; G146-G148 PolarHBondContact O-N 3.3Å | ||
| 147 | D | 95.9 | Very high | 95.1 | Very high | 75 Ų | 75 | 55.3 Ų | 55.3 | 40% | 0.401 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -83.9 | -2.3 | -176.3 | 93.9 | -0.2 | 0 | 0 | 0 | 114.1 | K113 D143 D145 G149 | K113-D147 WeakPolarHBondContact CD-OD1 3.5Å; K113-D147 WeakPolarHBondContact CD-OD2 3.42Å; K113-D147 PolarHBondContact NZ-O 3.32Å; K113-D147 IonicContact NZ-OD1 2.77Å; K113-D147 PolarHBondContact NZ-OD1 3Å; K113-D147 IonicContact NZ-OD2 2.73Å; K113-D147 PolarHBondContact NZ-OD2 3Å; D143-D147 PolarHBondContact OD1-N 3.32Å; D143-D147 VanDerWaalsContact OD1-N 3.15Å; D143-D147 PolarHBondContact OD2-N 2.91Å; D145-D147 WeakPolarHBondContact OD1-CB 3.27Å; D145-D147 PolarHBondContact OD1-N 3.39Å; D147-G149 PolarHBondContact OD1-N 2.88Å |
| 148 | G | 95 | Very high | 95 | Very high | 42 Ų | 42 | 54.7 Ų | 54.7 | 43% | 0.433 | 29% | 0.29 | S | S | . | . | S | Bend | trans | 86.7 | 13.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115 | D143 G146 | D143-G148 VanDerWaalsContact OD2-CA 3.24Å; D143-G148 WeakPolarHBondContact OD2-CA 3.12Å; D143-G148 PolarHBondContact OD2-N 2.81Å; G146-G148 VanDerWaalsContact C-N 3.28Å; G146-G148 PolarHBondContact O-N 3.3Å |
| 149 | G | 96.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 170.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | I114 D147 | I114-G149 CarbonylContact O-C 3.51Å; I114-G149 VanDerWaalsContact O-CA 3.31Å; I114-G149 WeakPolarHBondContact O-CA 3.47Å; D147-G149 PolarHBondContact OD1-N 2.88Å |
| 150 | L | 97.7 | Very high | 94.5 | Very high | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 115.3 | 177.5 | -55.6 | 179.3 | 0 | 0 | 0 | 109.5 | F103 K113 I114 I139 F142 D143 E154 F155 L158 | F103-L150 WeakPolarHBondContact CE2-O 3.16Å; K113-L150 CarbonylContact C-O 3.5Å; K113-L150 VanDerWaalsContact CA-O 3.25Å; K113-L150 WeakPolarHBondContact CA-O 3.35Å; K113-L150 WeakPolarHBondContact CB-O 3.24Å; I114-L150 HydrophobicContact CB-CB 4.35Å; I114-L150 PolarHBondContact N-O 2.98Å; I114-L150 PolarHBondContact O-N 3.42Å; I139-L150 HydrophobicContact CG2-CD2 4.28Å; I139-L150 HydrophobicContact CG2-CG 4.5Å; F142-L150 HydrophobicContact CB-CD2 3.64Å; D143-L150 HydrophobicContact CB-CD2 4.17Å; L150-E154 WeakPolarHBondContact CA-OE2 3.23Å; L150-E154 HydrophobicContact CB-CB 4.29Å; L150-E154 HydrophobicContact CD2-CB 4.18Å; L150-F155 HydrophobicContact CB-CB 4.38Å; L150-L158 HydrophobicContact CD1-CD1 3.53Å |
| 151 | N | 97.4 | Very high | 93.8 | Very high | 41 Ų | 41 | 60.3 Ų | 60.3 | 22% | 0.219 | 32% | 0.318 | C | S | . | . | trans | -69.7 | 176 | 166.1 | 71.4 | 48.6 | 0 | 0 | 0 | 110.5 | F103 E153 E154 F155 | F103-N151 VanDerWaalsContact CE2-C 3.5Å; N151-E153 VanDerWaalsContact C-N 3.32Å; N151-E153 PolarHBondContact O-N 2.98Å; N151-E153 WeakPolarHBondContact OD1-CB 3.44Å; N151-E153 PolarHBondContact OD1-N 3.17Å; N151-E154 VanDerWaalsContact CG-OE2 3.23Å; N151-E154 PolarHBondContact N-OE2 2.96Å; N151-E154 PolarHBondContact ND2-OE1 3.18Å; N151-E154 PolarHBondContact ND2-OE2 3.28Å; N151-E154 VanDerWaalsContact ND2-OE2 3.13Å; N151-E154 PolarHBondContact O-N 2.99Å; N151-E154 WeakPolarHBondContact OD1-CG 3.44Å; N151-E154 PolarHBondContact OD1-N 3.49Å; N151-F155 WeakPolarHBondContact O-CB 3.41Å; N151-F155 PolarHBondContact O-N 3.24Å | ||
| 152 | L | 95.9 | Very high | 92.4 | Very high | 63 Ų | 63 | 60.8 Ų | 60.8 | 33% | 0.33 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.3 | -38.8 | -175 | -178 | 63.1 | 0 | 0 | 0 | 113.1 | V100 F103 M156 | V100-L152 HydrophobicContact CG2-CD1 4.14Å; V100-L152 HydrophobicContact CG2-CD2 4.12Å; F103-L152 HydrophobicContact CB-CD1 3.75Å; F103-L152 HydrophobicContact CD1-CD1 4.07Å; F103-L152 HydrophobicContact CD2-CB 4.45Å; F103-L152 HydrophobicContact CD2-CD1 3.83Å; F103-L152 HydrophobicContact CE2-CB 4.24Å; F103-L152 HydrophobicContact CE2-CD1 4.44Å; F103-L152 HydrophobicContact CG-CD1 3.61Å; F103-L152 HydrophobicContact CZ-CB 4.29Å; L152-M156 HydrophobicContact CD1-CE 3.81Å; L152-M156 HydrophobicContact CD2-CE 4.06Å; L152-M156 HydrophobicContact CG-CE 3.8Å; L152-M156 HydrophobicContact CG-SD 4.49Å; L152-M156 WeakPolarHBondContact O-CB 3.36Å; L152-M156 VanDerWaalsContact O-CG 3.26Å; L152-M156 WeakPolarHBondContact O-CG 3.18Å; L152-M156 PolarHBondContact O-N 3.15Å |
| 153 | E | 95.4 | Very high | 90.4 | Very high | 145 Ų | 145 | 68.4 Ų | 68.4 | 68% | 0.678 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -68.6 | -42.7 | -179.5 | -174.1 | 177.1 | 170 | 0 | 0 | 111 | N151 M156 A157 | N151-E153 VanDerWaalsContact C-N 3.32Å; N151-E153 PolarHBondContact O-N 2.98Å; N151-E153 WeakPolarHBondContact OD1-CB 3.44Å; N151-E153 PolarHBondContact OD1-N 3.17Å; E153-M156 WeakPolarHBondContact O-CB 3.23Å; E153-M156 PolarHBondContact O-N 2.95Å; E153-A157 PolarHBondContact O-N 3.42Å |
| 154 | E | 96.3 | Very high | 90 | Very high | 7 Ų | 7 | 70.4 Ų | 70.4 | 3% | 0.033 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -66.4 | -40.8 | 176.9 | -66.8 | 168.2 | 157.6 | 0 | 0 | 112 | F142 R144 D145 L150 N151 M156 A157 L158 | F142-E154 WeakPolarHBondContact O-CB 3.3Å; F142-E154 VanDerWaalsContact O-CG 3.24Å; F142-E154 WeakPolarHBondContact O-CG 3.2Å; R144-E154 PolarHBondContact N-OE1 2.98Å; D145-E154 PolarHBondContact N-OE1 3.13Å; L150-E154 WeakPolarHBondContact CA-OE2 3.23Å; L150-E154 HydrophobicContact CB-CB 4.29Å; L150-E154 HydrophobicContact CD2-CB 4.18Å; N151-E154 VanDerWaalsContact CG-OE2 3.23Å; N151-E154 PolarHBondContact N-OE2 2.96Å; N151-E154 PolarHBondContact ND2-OE1 3.18Å; N151-E154 PolarHBondContact ND2-OE2 3.28Å; N151-E154 VanDerWaalsContact ND2-OE2 3.13Å; N151-E154 PolarHBondContact O-N 2.99Å; N151-E154 WeakPolarHBondContact OD1-CG 3.44Å; N151-E154 PolarHBondContact OD1-N 3.49Å; E154-M156 VanDerWaalsContact C-N 3.33Å; E154-M156 PolarHBondContact O-N 2.77Å; E154-A157 WeakPolarHBondContact O-CB 3.13Å; E154-A157 PolarHBondContact O-N 3.01Å; E154-L158 PolarHBondContact O-N 3.15Å |
| 155 | F | 95.5 | Very high | 89.8 | Confident | 7 Ų | 7 | 66.8 Ų | 66.8 | 3% | 0.031 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -64.4 | -38.1 | 173.1 | -179.8 | -107.4 | 0 | 0 | 0 | 112 | M99 A102 F103 F106 I114 L150 N151 L158 M159 | M99-F155 WeakPolarHBondContact O-CE1 3.42Å; A102-F155 HydrophobicContact CB-CE1 4.16Å; A102-F155 HydrophobicContact CB-CZ 4.2Å; F103-F155 HydrophobicContact CB-CD1 3.84Å; F103-F155 HydrophobicContact CB-CE1 3.99Å; F103-F155 HydrophobicContact CD2-CB 3.71Å; F103-F155 AromaticContact CD2-CD1 3.76Å; F103-F155 HydrophobicContact CD2-CD1 3.76Å; F103-F155 AromaticContact CD2-CG 3.81Å; F103-F155 HydrophobicContact CD2-CG 3.81Å; F103-F155 HydrophobicContact CE2-CB 4.09Å; F103-F155 HydrophobicContact CG-CD1 4.31Å; F106-F155 HydrophobicContact CD2-CE2 4.36Å; F106-F155 HydrophobicContact CD2-CZ 4.22Å; F106-F155 HydrophobicContact CE2-CE2 4.41Å; F106-F155 HydrophobicContact CE2-CZ 4.25Å; I114-F155 HydrophobicContact CD1-CB 4.27Å; I114-F155 HydrophobicContact CD1-CD1 4.31Å; I114-F155 HydrophobicContact CD1-CD2 3.39Å; I114-F155 HydrophobicContact CD1-CE2 3.68Å; I114-F155 HydrophobicContact CD1-CG 3.73Å; I114-F155 HydrophobicContact CD1-CZ 4.25Å; L150-F155 HydrophobicContact CB-CB 4.38Å; N151-F155 WeakPolarHBondContact O-CB 3.41Å; N151-F155 PolarHBondContact O-N 3.24Å; F155-L158 WeakPolarHBondContact O-CB 3.48Å; F155-L158 PolarHBondContact O-N 3.33Å; F155-M159 HydrophobicContact CD1-CG 4.17Å; F155-M159 HydrophobicContact CD2-CG 4.39Å; F155-M159 HydrophobicContact CE1-CG 3.76Å; F155-M159 HydrophobicContact CE1-SD 4.45Å; F155-M159 HydrophobicContact CE2-CG 4.01Å; F155-M159 HydrophobicContact CE2-SD 4.15Å; F155-M159 HydrophobicContact CG-CG 4.48Å; F155-M159 HydrophobicContact CZ-CG 3.68Å; F155-M159 HydrophobicContact CZ-SD 3.84Å; F155-M159 VanDerWaalsContact O-CG 3.24Å; F155-M159 WeakPolarHBondContact O-CG 3.25Å; F155-M159 PolarHBondContact O-N 3.43Å |
| 156 | M | 93.6 | Very high | 89.5 | Confident | 41 Ų | 41 | 65.1 Ų | 65.1 | 20% | 0.202 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63.4 | -44 | 173.7 | -76.4 | -179.6 | -177.8 | 0 | 0 | 111.5 | V96 M99 V100 L152 E153 E154 L158 M159 T160 | V96-M156 HydrophobicContact CG1-CE 3.55Å; V96-M156 HydrophobicContact CG1-SD 4.25Å; M99-M156 HydrophobicContact CB-CE 4.47Å; M99-M156 HydrophobicContact CB-CG 4.22Å; M99-M156 HydrophobicContact SD-CB 4.44Å; M99-M156 HydrophobicContact SD-CG 4.13Å; V100-M156 HydrophobicContact CG2-CE 3.56Å; L152-M156 HydrophobicContact CD1-CE 3.81Å; L152-M156 HydrophobicContact CD2-CE 4.06Å; L152-M156 HydrophobicContact CG-CE 3.8Å; L152-M156 HydrophobicContact CG-SD 4.49Å; L152-M156 WeakPolarHBondContact O-CB 3.36Å; L152-M156 VanDerWaalsContact O-CG 3.26Å; L152-M156 WeakPolarHBondContact O-CG 3.18Å; L152-M156 PolarHBondContact O-N 3.15Å; E153-M156 WeakPolarHBondContact O-CB 3.23Å; E153-M156 PolarHBondContact O-N 2.95Å; E154-M156 VanDerWaalsContact C-N 3.33Å; E154-M156 PolarHBondContact O-N 2.77Å; M156-L158 VanDerWaalsContact C-N 3.3Å; M156-L158 PolarHBondContact O-N 2.93Å; M156-M159 PolarHBondContact O-N 3Å; M156-M159 VanDerWaalsContact O-N 3.12Å; M156-T160 WeakPolarHBondContact O-CG2 3.33Å; M156-T160 PolarHBondContact O-N 2.92Å; M156-T160 PolarHBondContact O-OG1 3.3Å |
| 157 | A | 92.2 | Very high | 89.2 | Confident | 10 Ų | 10 | 65.4 Ų | 65.4 | 8% | 0.083 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -58.4 | -41 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | F142 E153 E154 T160 K161 E162 | F142-A157 HydrophobicContact CD1-CB 4.2Å; E153-A157 PolarHBondContact O-N 3.42Å; E154-A157 WeakPolarHBondContact O-CB 3.13Å; E154-A157 PolarHBondContact O-N 3.01Å; A157-T160 PolarHBondContact O-OG1 3.36Å; A157-K161 VanDerWaalsContact O-CA 3.3Å; A157-K161 WeakPolarHBondContact O-CA 3.02Å; A157-K161 PolarHBondContact O-N 3.41Å; A157-E162 WeakPolarHBondContact CB-O 3.47Å; A157-E162 PolarHBondContact O-N 3.07Å |
| 158 | L | 90.8 | Very high | 88.8 | Confident | 31 Ų | 31 | 64.8 Ų | 64.8 | 16% | 0.162 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -58.7 | -48.1 | 172.4 | -179.4 | 158.8 | 0 | 0 | 0 | 111.6 | M138 F142 L150 E154 F155 M156 K161 | M138-L158 HydrophobicContact CG-CD1 3.75Å; M138-L158 HydrophobicContact SD-CD1 4.29Å; F142-L158 HydrophobicContact CB-CB 4.38Å; F142-L158 HydrophobicContact CD1-CB 3.85Å; F142-L158 HydrophobicContact CD2-CB 3.89Å; F142-L158 HydrophobicContact CD2-CD1 3.84Å; F142-L158 HydrophobicContact CD2-CG 3.91Å; F142-L158 VanDerWaalsContact CE1-CA 3.4Å; F142-L158 HydrophobicContact CE1-CB 4.08Å; F142-L158 HydrophobicContact CE2-CB 4.12Å; F142-L158 HydrophobicContact CE2-CD1 4.3Å; F142-L158 HydrophobicContact CE2-CG 3.97Å; F142-L158 HydrophobicContact CG-CB 3.76Å; F142-L158 HydrophobicContact CG-CD1 4.31Å; F142-L158 HydrophobicContact CG-CG 4.3Å; F142-L158 HydrophobicContact CZ-CB 4.21Å; F142-L158 HydrophobicContact CZ-CG 4.41Å; L150-L158 HydrophobicContact CD1-CD1 3.53Å; E154-L158 PolarHBondContact O-N 3.15Å; F155-L158 WeakPolarHBondContact O-CB 3.48Å; F155-L158 PolarHBondContact O-N 3.33Å; M156-L158 VanDerWaalsContact C-N 3.3Å; M156-L158 PolarHBondContact O-N 2.93Å; L158-K161 PolarHBondContact O-N 2.95Å |
| 159 | M | 89.9 | Confident | 88.4 | Confident | 94 Ų | 94 | 66.3 Ų | 66.3 | 46% | 0.463 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -71.9 | -31.1 | -175.7 | -69.1 | -66.9 | -70.1 | 0 | 0 | 113.2 | M99 F155 M156 | M99-M159 HydrophobicContact CE-CB 3.85Å; M99-M159 HydrophobicContact CG-CB 4.11Å; M99-M159 HydrophobicContact CG-CG 4.41Å; M99-M159 HydrophobicContact SD-CB 3.96Å; F155-M159 HydrophobicContact CD1-CG 4.17Å; F155-M159 HydrophobicContact CD2-CG 4.39Å; F155-M159 HydrophobicContact CE1-CG 3.76Å; F155-M159 HydrophobicContact CE1-SD 4.45Å; F155-M159 HydrophobicContact CE2-CG 4.01Å; F155-M159 HydrophobicContact CE2-SD 4.15Å; F155-M159 HydrophobicContact CG-CG 4.48Å; F155-M159 HydrophobicContact CZ-CG 3.68Å; F155-M159 HydrophobicContact CZ-SD 3.84Å; F155-M159 VanDerWaalsContact O-CG 3.24Å; F155-M159 WeakPolarHBondContact O-CG 3.25Å; F155-M159 PolarHBondContact O-N 3.43Å; M156-M159 PolarHBondContact O-N 3Å; M156-M159 VanDerWaalsContact O-N 3.12Å |
| 160 | T | 87.8 | Confident | 87.8 | Confident | 59 Ų | 59 | 71.1 Ų | 71.1 | 36% | 0.362 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -88.7 | -15.2 | 176.1 | 59.2 | 0 | 0 | 0 | 0 | 113.1 | M99 M156 A157 E162 | M99-T160 HydrophobicContact CE-CG2 3.67Å; M99-T160 HydrophobicContact SD-CG2 4.21Å; M156-T160 WeakPolarHBondContact O-CG2 3.33Å; M156-T160 PolarHBondContact O-N 2.92Å; M156-T160 PolarHBondContact O-OG1 3.3Å; A157-T160 PolarHBondContact O-OG1 3.36Å; T160-E162 PolarHBondContact O-N 2.7Å; T160-E162 WeakPolarHBondContact OG1-CB 3.37Å; T160-E162 PolarHBondContact OG1-N 3.26Å |
| 161 | K | 79.2 | Confident | 87 | Confident | 179 Ų | 179 | 76.5 Ų | 76.5 | 78% | 0.778 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.4 | 27.1 | -167.8 | -53.5 | -176.2 | 177.4 | -173.9 | 0 | 112.7 | A157 L158 | A157-K161 VanDerWaalsContact O-CA 3.3Å; A157-K161 WeakPolarHBondContact O-CA 3.02Å; A157-K161 PolarHBondContact O-N 3.41Å; L158-K161 PolarHBondContact O-N 2.95Å |
| 162 | E | 66.1 | Low | 86.2 | Confident | 142 Ų | 142 | 79.4 Ų | 79.4 | 66% | 0.664 | 39% | 0.39 | S | S | * | . | trans | -88.7 | 109.7 | 172.3 | -68 | -178.4 | 169.2 | 0 | 0 | 108.2 | A157 T160 | A157-E162 WeakPolarHBondContact CB-O 3.47Å; A157-E162 PolarHBondContact O-N 3.07Å; T160-E162 PolarHBondContact O-N 2.7Å; T160-E162 WeakPolarHBondContact OG1-CB 3.37Å; T160-E162 PolarHBondContact OG1-N 3.26Å | ||
| 163 | I | 51.2 | Low | 85.3 | Confident | 175 Ų | 175 | 80.9 Ų | 80.9 | 90% | 0.897 | 40% | 0.396 | S | S | * | . | trans | -94.7 | 0 | 174.7 | -54.9 | 176.2 | 0 | 0 | 0 | 108.7 | F142 R144 | F142-I163 HydrophobicContact CE1-CG1 4.47Å; R144-I163 PolarHBondContact NH2-OXT 3.32Å |
Retrieved 163 of 163 residues in 456.3 ms
(Link to these results)