| 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 | 60.7 | Low | 67.7 | Low | 199 Ų | 199 | 96.5 Ų | 96.5 | 98% | 0.98 | 50% | 0.501 | S | S | * | . | 0 | -49 | 0 | -66 | -175.7 | 79.5 | 0 | 0 | 112.1 | T3 F4 I5 | M1-T3 PolarHBondContact O-N 2.79Å; M1-F4 PolarHBondContact O-N 3.42Å; M1-I5 PolarHBondContact O-N 3.29Å | |||
| 2 | I | 68.9 | Low | 67.7 | Low | 131 Ų | 131 | 99.1 Ų | 99.1 | 67% | 0.672 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -57.6 | -44.1 | -178.6 | -65 | 167.5 | 0 | 0 | 0 | 113 | F4 I5 I6 | I2-F4 VanDerWaalsContact C-N 3.33Å; I2-F4 PolarHBondContact O-N 2.99Å; I2-I5 PolarHBondContact O-N 2.99Å; I2-I6 HydrophobicContact CG2-CD1 3.78Å; I2-I6 HydrophobicContact CG2-CG1 4.38Å; I2-I6 WeakPolarHBondContact O-CG1 3.47Å; I2-I6 PolarHBondContact O-N 3.09Å; I2-I6 VanDerWaalsContact O-N 3.08Å |
| 3 | T | 66.3 | Low | 67.3 | Low | 79 Ų | 79 | 99.5 Ų | 99.5 | 49% | 0.485 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58.5 | -39.6 | 178.9 | 38.1 | 0 | 0 | 0 | 0 | 113.6 | M1 I6 I7 | M1-T3 PolarHBondContact O-N 2.79Å; T3-I6 PolarHBondContact O-N 2.86Å; T3-I7 VanDerWaalsContact O-CG1 3.32Å; T3-I7 WeakPolarHBondContact O-CG1 3.3Å; T3-I7 PolarHBondContact O-N 3.28Å; T3-I7 VanDerWaalsContact O-N 3.08Å |
| 4 | F | 66.9 | Low | 67 | Low | 151 Ų | 151 | 97.3 Ų | 97.3 | 66% | 0.662 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -68.9 | -36.9 | 179.4 | -171.8 | -93.9 | 0 | 0 | 0 | 112.5 | M1 I2 S8 | M1-F4 PolarHBondContact O-N 3.42Å; I2-F4 VanDerWaalsContact C-N 3.33Å; I2-F4 PolarHBondContact O-N 2.99Å; F4-S8 WeakPolarHBondContact O-CB 3.35Å; F4-S8 PolarHBondContact O-N 2.83Å; F4-S8 PolarHBondContact O-OG 2.78Å |
| 5 | I | 72.1 | Confident | 66.7 | Low | 106 Ų | 106 | 97.1 Ų | 97.1 | 54% | 0.544 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.8 | -44.3 | 176.6 | -64.9 | 166.1 | 0 | 0 | 0 | 109.8 | M1 I2 S8 V9 | M1-I5 PolarHBondContact O-N 3.29Å; I2-I5 PolarHBondContact O-N 2.99Å; I5-S8 PolarHBondContact O-N 3.47Å; I5-V9 WeakPolarHBondContact O-CG2 3.27Å; I5-V9 PolarHBondContact O-N 3.43Å; I5-V9 VanDerWaalsContact O-N 3.11Å |
| 6 | I | 69.8 | Low | 66.5 | Low | 46 Ų | 46 | 102.3 Ų | 102.3 | 24% | 0.236 | 53% | 0.53 | C | S | . | . | H | α-helix | trans | -57.1 | -54.9 | 176.6 | -68.4 | 172 | 0 | 0 | 0 | 109.6 | I2 T3 S8 V9 F10 V40 | I2-I6 HydrophobicContact CG2-CD1 3.78Å; I2-I6 HydrophobicContact CG2-CG1 4.38Å; I2-I6 WeakPolarHBondContact O-CG1 3.47Å; I2-I6 PolarHBondContact O-N 3.09Å; I2-I6 VanDerWaalsContact O-N 3.08Å; T3-I6 PolarHBondContact O-N 2.86Å; I6-S8 VanDerWaalsContact C-N 3.3Å; I6-S8 PolarHBondContact O-N 3.44Å; I6-V9 PolarHBondContact O-N 3.1Å; I6-F10 HydrophobicContact CG2-CD2 3.72Å; I6-F10 HydrophobicContact CG2-CE2 3.68Å; I6-F10 WeakPolarHBondContact O-CD2 3.38Å; I6-F10 PolarHBondContact O-N 3.12Å; I6-F10 VanDerWaalsContact O-N 3.14Å; I6-V40 HydrophobicContact CD1-CG1 4.41Å |
| 7 | I | 73.3 | Confident | 66.3 | Low | 79 Ų | 79 | 97.6 Ų | 97.6 | 41% | 0.405 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -56.9 | -43.5 | -179.1 | -66.3 | 165.3 | 0 | 0 | 0 | 111.8 | T3 V9 F10 L11 W37 | T3-I7 VanDerWaalsContact O-CG1 3.32Å; T3-I7 WeakPolarHBondContact O-CG1 3.3Å; T3-I7 PolarHBondContact O-N 3.28Å; T3-I7 VanDerWaalsContact O-N 3.08Å; I7-V9 PolarHBondContact O-N 3.16Å; I7-F10 PolarHBondContact O-N 3.45Å; I7-L11 HydrophobicContact CG2-CD1 4.3Å; I7-L11 WeakPolarHBondContact O-CG 3.19Å; I7-L11 PolarHBondContact O-N 2.91Å; I7-L11 VanDerWaalsContact O-N 3.09Å; I7-W37 HydrophobicContact CG1-CH2 4.31Å |
| 8 | S | 68.3 | Low | 66 | Low | 44 Ų | 44 | 96.1 Ų | 96.1 | 31% | 0.308 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.1 | -42.6 | -179.3 | -59.1 | 0 | 0 | 0 | 0 | 112.8 | F4 I5 I6 F10 L11 L12 | F4-S8 WeakPolarHBondContact O-CB 3.35Å; F4-S8 PolarHBondContact O-N 2.83Å; F4-S8 PolarHBondContact O-OG 2.78Å; I5-S8 PolarHBondContact O-N 3.47Å; I6-S8 VanDerWaalsContact C-N 3.3Å; I6-S8 PolarHBondContact O-N 3.44Å; S8-F10 VanDerWaalsContact C-N 3.32Å; S8-F10 PolarHBondContact O-N 3.47Å; S8-L11 PolarHBondContact O-N 3.44Å; S8-L12 PolarHBondContact O-N 2.8Å |
| 9 | V | 71 | Confident | 65.7 | Low | 74 Ų | 74 | 96.7 Ų | 96.7 | 45% | 0.448 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.1 | -36 | 177.6 | 174.6 | 0 | 0 | 0 | 0 | 111.3 | I5 I6 I7 L12 Q13 | I5-V9 WeakPolarHBondContact O-CG2 3.27Å; I5-V9 PolarHBondContact O-N 3.43Å; I5-V9 VanDerWaalsContact O-N 3.11Å; I6-V9 PolarHBondContact O-N 3.1Å; I7-V9 PolarHBondContact O-N 3.16Å; V9-L12 WeakPolarHBondContact O-CB 3.41Å; V9-L12 PolarHBondContact O-N 3.26Å; V9-Q13 PolarHBondContact O-N 3.08Å |
| 10 | F | 62.1 | Low | 65.4 | Low | 34 Ų | 34 | 94.9 Ų | 94.9 | 15% | 0.149 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -69.9 | -36.6 | 178.3 | -84.8 | -71.1 | 0 | 0 | 0 | 113.9 | I6 I7 S8 L12 Q13 S14 I33 F36 | I6-F10 HydrophobicContact CG2-CD2 3.72Å; I6-F10 HydrophobicContact CG2-CE2 3.68Å; I6-F10 WeakPolarHBondContact O-CD2 3.38Å; I6-F10 PolarHBondContact O-N 3.12Å; I6-F10 VanDerWaalsContact O-N 3.14Å; I7-F10 PolarHBondContact O-N 3.45Å; S8-F10 VanDerWaalsContact C-N 3.32Å; S8-F10 PolarHBondContact O-N 3.47Å; F10-L12 VanDerWaalsContact C-N 3.28Å; F10-L12 PolarHBondContact O-N 3.4Å; F10-Q13 PolarHBondContact O-N 3.29Å; F10-S14 PolarHBondContact O-N 2.04Å; F10-S14 PolarHBondContact O-OG 3.28Å; F10-I33 HydrophobicContact CD1-CG2 4.06Å; F10-I33 HydrophobicContact CE1-CG1 4.41Å; F10-I33 HydrophobicContact CE1-CG2 4.08Å; F10-F36 HydrophobicContact CE1-CD1 4.13Å; F10-F36 HydrophobicContact CE1-CE1 4.46Å; F10-F36 HydrophobicContact CE2-CD1 4.01Å; F10-F36 AromaticContact CE2-CE1 3.66Å; F10-F36 HydrophobicContact CE2-CE1 3.66Å; F10-F36 AromaticContact CZ-CD1 3.32Å; F10-F36 HydrophobicContact CZ-CD1 3.32Å; F10-F36 AromaticContact CZ-CE1 3.3Å; F10-F36 HydrophobicContact CZ-CE1 3.3Å; F10-F36 HydrophobicContact CZ-CG 4.39Å; F10-F36 HydrophobicContact CZ-CZ 4.36Å |
| 11 | L | 65.6 | Low | 64.9 | Low | 118 Ų | 118 | 94.4 Ų | 94.4 | 62% | 0.618 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -62.9 | -37.9 | 174.4 | -70.6 | 173.7 | 0 | 0 | 0 | 111.5 | I7 S8 C15 | I7-L11 HydrophobicContact CG2-CD1 4.3Å; I7-L11 WeakPolarHBondContact O-CG 3.19Å; I7-L11 PolarHBondContact O-N 2.91Å; I7-L11 VanDerWaalsContact O-N 3.09Å; S8-L11 PolarHBondContact O-N 3.44Å; L11-C15 WeakPolarHBondContact O-CB 3.46Å; L11-C15 PolarHBondContact O-N 3.36Å |
| 12 | L | 67.4 | Low | 64.8 | Low | 128 Ų | 128 | 87.3 Ų | 87.3 | 67% | 0.67 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.1 | -44.7 | 174.7 | -86.3 | 153.8 | 0 | 0 | 0 | 112.2 | S8 V9 F10 C15 Y16 | S8-L12 PolarHBondContact O-N 2.8Å; V9-L12 WeakPolarHBondContact O-CB 3.41Å; V9-L12 PolarHBondContact O-N 3.26Å; F10-L12 VanDerWaalsContact C-N 3.28Å; F10-L12 PolarHBondContact O-N 3.4Å; L12-C15 WeakPolarHBondContact O-CB 3.46Å; L12-C15 PolarHBondContact O-N 3.41Å; L12-Y16 PolarHBondContact O-N 2.86Å; L12-Y16 VanDerWaalsContact O-N 3.1Å |
| 13 | Q | 62.9 | Low | 64.5 | Low | 105 Ų | 105 | 85.5 Ų | 85.5 | 49% | 0.491 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.8 | -39.2 | 178.4 | -71.9 | -170.5 | -23.1 | 0 | 0 | 112.6 | V9 F10 C15 Y16 C17 | V9-Q13 PolarHBondContact O-N 3.08Å; F10-Q13 PolarHBondContact O-N 3.29Å; Q13-C15 VanDerWaalsContact C-N 3.28Å; Q13-C15 PolarHBondContact O-N 3.33Å; Q13-Y16 WeakPolarHBondContact O-CB 3.46Å; Q13-Y16 PolarHBondContact O-N 2.84Å; Q13-Y16 VanDerWaalsContact O-N 3.12Å; Q13-C17 PolarHBondContact O-N 3.45Å; Q13-C17 VanDerWaalsContact O-N 3.14Å |
| 14 | S | 62.3 | Low | 64.4 | Low | 68 Ų | 68 | 88.6 Ų | 88.6 | 48% | 0.476 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.2 | -36.4 | 175.4 | -56.7 | 0 | 0 | 0 | 0 | 111.8 | F10 Y16 C17 G18 | F10-S14 PolarHBondContact O-N 2.04Å; F10-S14 PolarHBondContact O-OG 3.28Å; S14-Y16 VanDerWaalsContact C-N 3.33Å; S14-C17 PolarHBondContact O-N 3.18Å; S14-G18 PolarHBondContact O-N 3.14Å |
| 15 | C | 62.8 | Low | 64.2 | Low | 95 Ų | 95 | 87.6 Ų | 87.6 | 64% | 0.642 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65 | -37.6 | 173.9 | -166 | 0 | 0 | 0 | 0 | 111.8 | L11 L12 Q13 G18 | L11-C15 WeakPolarHBondContact O-CB 3.46Å; L11-C15 PolarHBondContact O-N 3.36Å; L12-C15 WeakPolarHBondContact O-CB 3.46Å; L12-C15 PolarHBondContact O-N 3.41Å; Q13-C15 VanDerWaalsContact C-N 3.28Å; Q13-C15 PolarHBondContact O-N 3.33Å; C15-G18 PolarHBondContact O-N 2.78Å |
| 16 | Y | 63.7 | Low | 63.8 | Low | 179 Ų | 179 | 83.4 Ų | 83.4 | 70% | 0.702 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65.9 | -40.6 | 178.1 | -157.4 | -100.8 | 0 | 0 | 0 | 112.4 | L12 Q13 S14 G18 S19 S20 | L12-Y16 PolarHBondContact O-N 2.86Å; L12-Y16 VanDerWaalsContact O-N 3.1Å; Q13-Y16 WeakPolarHBondContact O-CB 3.46Å; Q13-Y16 PolarHBondContact O-N 2.84Å; Q13-Y16 VanDerWaalsContact O-N 3.12Å; S14-Y16 VanDerWaalsContact C-N 3.33Å; Y16-G18 VanDerWaalsContact C-N 3.31Å; Y16-G18 PolarHBondContact O-N 3.11Å; Y16-S19 PolarHBondContact O-N 2.87Å; Y16-S20 PolarHBondContact O-N 3.15Å |
| 17 | C | 62.9 | Low | 63.7 | Low | 23 Ų | 23 | 87.8 Ų | 87.8 | 16% | 0.155 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -68.4 | -27.6 | 177.6 | -128.5 | 0 | 0 | 0 | 0 | 113.5 | Q13 S14 S19 C26 E29 | Q13-C17 PolarHBondContact O-N 3.45Å; Q13-C17 VanDerWaalsContact O-N 3.14Å; S14-C17 PolarHBondContact O-N 3.18Å; C17-S19 VanDerWaalsContact C-N 3.28Å; C17-S19 PolarHBondContact O-N 3.42Å; C17-C26 VanDerWaalsContact CA-SG 3.52Å; C17-C26 HydrophobicContact CB-CB 4.18Å; C17-C26 WeakPolarHBondContact CB-SG 3.44Å; C17-C26 PolarHBondContact O-SG 2.79Å; C17-C26 WeakPolarHBondContact SG-CA 3.12Å; C17-C26 WeakPolarHBondContact SG-CB 2.97Å; C17-C26 CovalentContact SG-SG 2.04Å; C17-C26 PolarHBondContact SG-SG 3.23Å; C17-E29 PolarHBondContact SG-OE2 3.25Å |
| 18 | G | 60.3 | Low | 63.5 | Low | 71 Ų | 71 | 91.3 Ų | 91.3 | 73% | 0.732 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -69.6 | -24.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | S14 C15 Y16 | S14-G18 PolarHBondContact O-N 3.14Å; C15-G18 PolarHBondContact O-N 2.78Å; Y16-G18 VanDerWaalsContact C-N 3.31Å; Y16-G18 PolarHBondContact O-N 3.11Å |
| 19 | S | 60.4 | Low | 63.5 | Low | 108 Ų | 108 | 94.3 Ų | 94.3 | 76% | 0.755 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -89.9 | -31.4 | -175.7 | -142.5 | 0 | 0 | 0 | 0 | 113 | Y16 C17 G21 | Y16-S19 PolarHBondContact O-N 2.87Å; C17-S19 VanDerWaalsContact C-N 3.28Å; C17-S19 PolarHBondContact O-N 3.42Å; S19-G21 PolarHBondContact O-N 3.18Å |
| 20 | S | 60.1 | Low | 63.4 | Low | 59 Ų | 59 | 97 Ų | 97 | 41% | 0.413 | 55% | 0.546 | S | S | . | . | S | Bend | trans | -92.1 | 95.2 | 176.9 | -71.1 | 0 | 0 | 0 | 0 | 110.5 | Y16 S22 | Y16-S20 PolarHBondContact O-N 3.15Å; S20-S22 PolarHBondContact O-N 3.12Å |
| 21 | G | 55.5 | Low | 64 | Low | 86 Ų | 86 | 99.6 Ų | 99.6 | 89% | 0.887 | 56% | 0.564 | S | S | * | * | trans | -64.1 | 31.8 | -173.7 | 0 | 0 | 0 | 0 | 0 | 118.6 | S19 S23 | S19-G21 PolarHBondContact O-N 3.18Å; G21-S23 PolarHBondContact O-N 3.29Å | ||
| 22 | S | 58.1 | Low | 64.4 | Low | 49 Ų | 49 | 101 Ų | 101 | 34% | 0.343 | 57% | 0.566 | S | S | . | * | trans | -94.6 | 84.2 | 170.5 | 55.7 | 0 | 0 | 0 | 0 | 111 | S20 Q24 E25 | S20-S22 PolarHBondContact O-N 3.12Å; S22-Q24 PolarHBondContact O-N 3.42Å; S22-E25 PolarHBondContact O-N 3.14Å; S22-E25 VanDerWaalsContact O-N 3.16Å; S22-E25 PolarHBondContact OG-OE2 3.42Å | ||
| 23 | S | 63.2 | Low | 64.7 | Low | 93 Ų | 93 | 96.8 Ų | 96.8 | 65% | 0.65 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -12.8 | -172.7 | 65.3 | 0 | 0 | 0 | 0 | 117.3 | G21 K27 | G21-S23 PolarHBondContact O-N 3.29Å; S23-K27 WeakPolarHBondContact O-CG 3.38Å |
| 24 | Q | 63.4 | Low | 65.2 | Low | 145 Ų | 145 | 93.7 Ų | 93.7 | 68% | 0.678 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.4 | -33.2 | -179.3 | -163.1 | 171.5 | -0.8 | 0 | 0 | 113.5 | S22 K28 | S22-Q24 PolarHBondContact O-N 3.42Å; Q24-K28 PolarHBondContact O-N 2.96Å |
| 25 | E | 63.5 | Low | 66 | Low | 130 Ų | 130 | 97.7 Ų | 97.7 | 61% | 0.607 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -71.7 | -41.9 | 176.7 | -69 | 175.7 | 144.5 | 0 | 0 | 110 | S22 K27 K28 E29 | S22-E25 PolarHBondContact O-N 3.14Å; S22-E25 VanDerWaalsContact O-N 3.16Å; S22-E25 PolarHBondContact OG-OE2 3.42Å; E25-K27 VanDerWaalsContact C-N 3.29Å; E25-K27 PolarHBondContact O-N 2.98Å; E25-K28 WeakPolarHBondContact O-CB 3.48Å; E25-K28 PolarHBondContact O-N 3.4Å; E25-K28 VanDerWaalsContact O-N 3.09Å; E25-E29 PolarHBondContact O-N 2.99Å |
| 26 | C | 64.2 | Low | 66.8 | Low | 17 Ų | 17 | 97 Ų | 97 | 12% | 0.115 | 54% | 0.535 | C | S | . | . | H | α-helix | trans | -61 | -33.3 | 174.7 | -75.4 | 0 | 0 | 0 | 0 | 114.1 | C17 E29 Q30 | C17-C26 VanDerWaalsContact CA-SG 3.52Å; C17-C26 HydrophobicContact CB-CB 4.18Å; C17-C26 WeakPolarHBondContact CB-SG 3.44Å; C17-C26 PolarHBondContact O-SG 2.79Å; C17-C26 WeakPolarHBondContact SG-CA 3.12Å; C17-C26 WeakPolarHBondContact SG-CB 2.97Å; C17-C26 CovalentContact SG-SG 2.04Å; C17-C26 PolarHBondContact SG-SG 3.23Å; C26-E29 PolarHBondContact O-N 3.12Å; C26-Q30 WeakPolarHBondContact O-CB 3.45Å; C26-Q30 VanDerWaalsContact O-CG 3.27Å; C26-Q30 WeakPolarHBondContact O-CG 3.47Å; C26-Q30 PolarHBondContact O-N 3.32Å |
| 27 | K | 67.6 | Low | 67.3 | Low | 139 Ų | 139 | 93.5 Ų | 93.5 | 60% | 0.604 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -67.5 | -37.5 | 175.3 | -77.3 | 178.7 | -179 | -177.8 | 0 | 112.3 | S23 E25 T31 | S23-K27 WeakPolarHBondContact O-CG 3.38Å; E25-K27 VanDerWaalsContact C-N 3.29Å; E25-K27 PolarHBondContact O-N 2.98Å; K27-T31 PolarHBondContact O-N 3.48Å; K27-T31 VanDerWaalsContact O-N 3.1Å; K27-T31 PolarHBondContact O-OG1 3.1Å |
| 28 | K | 68.8 | Low | 68 | Low | 152 Ų | 152 | 95.6 Ų | 95.6 | 66% | 0.661 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -66.5 | -44.3 | 174.7 | -71.3 | 180 | 178.1 | 177.2 | 0 | 110.5 | Q24 E25 T31 F32 | Q24-K28 PolarHBondContact O-N 2.96Å; E25-K28 WeakPolarHBondContact O-CB 3.48Å; E25-K28 PolarHBondContact O-N 3.4Å; E25-K28 VanDerWaalsContact O-N 3.09Å; K28-T31 PolarHBondContact O-N 3.34Å; K28-F32 PolarHBondContact O-N 3.04Å |
| 29 | E | 68.5 | Low | 69 | Low | 107 Ų | 107 | 96.8 Ų | 96.8 | 50% | 0.5 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.5 | -45.7 | 175.9 | -71.6 | -165.5 | 151.6 | 0 | 0 | 112 | C17 E25 C26 T31 F32 I33 | C17-E29 PolarHBondContact SG-OE2 3.25Å; E25-E29 PolarHBondContact O-N 2.99Å; C26-E29 PolarHBondContact O-N 3.12Å; E29-T31 VanDerWaalsContact C-N 3.28Å; E29-T31 PolarHBondContact O-N 3.21Å; E29-F32 CarbonylContact O-C 3.6Å; E29-F32 WeakPolarHBondContact O-CB 3.37Å; E29-F32 PolarHBondContact O-N 2.71Å; E29-F32 VanDerWaalsContact O-N 3.08Å; E29-I33 WeakPolarHBondContact O-CB 3.37Å; E29-I33 WeakPolarHBondContact O-CD1 3.42Å; E29-I33 WeakPolarHBondContact O-CG1 3.42Å; E29-I33 PolarHBondContact O-N 2.98Å |
| 30 | Q | 68.1 | Low | 70 | Confident | 131 Ų | 131 | 92.9 Ų | 92.9 | 61% | 0.612 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -58.2 | -39.3 | 175.5 | -77.2 | -179.5 | -1.9 | 0 | 0 | 112.6 | C26 I33 G34 | C26-Q30 WeakPolarHBondContact O-CB 3.45Å; C26-Q30 VanDerWaalsContact O-CG 3.27Å; C26-Q30 WeakPolarHBondContact O-CG 3.47Å; C26-Q30 PolarHBondContact O-N 3.32Å; Q30-I33 PolarHBondContact O-N 3.37Å; Q30-G34 PolarHBondContact O-N 3.3Å |
| 31 | T | 74.3 | Confident | 70.8 | Confident | 88 Ų | 88 | 95 Ų | 95 | 54% | 0.54 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.7 | -41.1 | 176 | -54.5 | 0 | 0 | 0 | 0 | 111.4 | K27 K28 E29 G34 K35 | K27-T31 PolarHBondContact O-N 3.48Å; K27-T31 VanDerWaalsContact O-N 3.1Å; K27-T31 PolarHBondContact O-OG1 3.1Å; K28-T31 PolarHBondContact O-N 3.34Å; E29-T31 VanDerWaalsContact C-N 3.28Å; E29-T31 PolarHBondContact O-N 3.21Å; T31-G34 PolarHBondContact O-N 2.92Å; T31-K35 PolarHBondContact O-N 2.87Å; T31-K35 VanDerWaalsContact O-N 3.12Å |
| 32 | F | 74.6 | Confident | 72 | Confident | 147 Ų | 147 | 94.4 Ų | 94.4 | 65% | 0.645 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -64.3 | -43.3 | 175.6 | -175.6 | -96 | 0 | 0 | 0 | 111.5 | K28 E29 G34 K35 F36 | K28-F32 PolarHBondContact O-N 3.04Å; E29-F32 CarbonylContact O-C 3.6Å; E29-F32 WeakPolarHBondContact O-CB 3.37Å; E29-F32 PolarHBondContact O-N 2.71Å; E29-F32 VanDerWaalsContact O-N 3.08Å; F32-G34 VanDerWaalsContact C-N 3.34Å; F32-G34 PolarHBondContact O-N 3.39Å; F32-K35 PolarHBondContact O-N 2.88Å; F32-F36 WeakPolarHBondContact O-CB 3.38Å; F32-F36 PolarHBondContact O-N 3.45Å |
| 33 | I | 72.8 | Confident | 73.2 | Confident | 40 Ų | 40 | 96 Ų | 96 | 21% | 0.205 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -60.9 | -43.1 | 175.7 | -66.9 | 161.9 | 0 | 0 | 0 | 110.5 | F10 E29 Q30 K35 F36 W37 | F10-I33 HydrophobicContact CD1-CG2 4.06Å; F10-I33 HydrophobicContact CE1-CG1 4.41Å; F10-I33 HydrophobicContact CE1-CG2 4.08Å; E29-I33 WeakPolarHBondContact O-CB 3.37Å; E29-I33 WeakPolarHBondContact O-CD1 3.42Å; E29-I33 WeakPolarHBondContact O-CG1 3.42Å; E29-I33 PolarHBondContact O-N 2.98Å; Q30-I33 PolarHBondContact O-N 3.37Å; I33-K35 PolarHBondContact O-N 3.19Å; I33-F36 PolarHBondContact O-N 3.09Å; I33-W37 WeakPolarHBondContact O-CB 3.14Å; I33-W37 PolarHBondContact O-N 3.47Å |
| 34 | G | 75.3 | Confident | 74.1 | Confident | 41 Ų | 41 | 94.3 Ų | 94.3 | 42% | 0.423 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -60.7 | -42.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113 | Q30 T31 F32 W37 S38 | Q30-G34 PolarHBondContact O-N 3.3Å; T31-G34 PolarHBondContact O-N 2.92Å; F32-G34 VanDerWaalsContact C-N 3.34Å; F32-G34 PolarHBondContact O-N 3.39Å; G34-W37 PolarHBondContact O-N 3.46Å; G34-S38 PolarHBondContact O-N 3.24Å; G34-S38 VanDerWaalsContact O-N 3.14Å |
| 35 | K | 78.7 | Confident | 75 | Confident | 151 Ų | 151 | 91.3 Ų | 91.3 | 66% | 0.657 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -66.1 | -41.3 | 174.2 | -70.5 | -175.5 | -179.9 | -175.9 | 0 | 112.1 | T31 F32 I33 W37 S38 L39 | T31-K35 PolarHBondContact O-N 2.87Å; T31-K35 VanDerWaalsContact O-N 3.12Å; F32-K35 PolarHBondContact O-N 2.88Å; I33-K35 PolarHBondContact O-N 3.19Å; K35-W37 VanDerWaalsContact C-N 3.32Å; K35-S38 PolarHBondContact O-N 3.14Å; K35-L39 PolarHBondContact O-N 3.39Å; K35-L39 VanDerWaalsContact O-N 3.12Å |
| 36 | F | 78.8 | Confident | 76.1 | Confident | 82 Ų | 82 | 90.1 Ų | 90.1 | 36% | 0.36 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62.9 | -41.2 | 176.7 | -175.1 | -92.7 | 0 | 0 | 0 | 111.3 | F10 F32 I33 L39 V40 | F10-F36 HydrophobicContact CE1-CD1 4.13Å; F10-F36 HydrophobicContact CE1-CE1 4.46Å; F10-F36 HydrophobicContact CE2-CD1 4.01Å; F10-F36 AromaticContact CE2-CE1 3.66Å; F10-F36 HydrophobicContact CE2-CE1 3.66Å; F10-F36 AromaticContact CZ-CD1 3.32Å; F10-F36 HydrophobicContact CZ-CD1 3.32Å; F10-F36 AromaticContact CZ-CE1 3.3Å; F10-F36 HydrophobicContact CZ-CE1 3.3Å; F10-F36 HydrophobicContact CZ-CG 4.39Å; F10-F36 HydrophobicContact CZ-CZ 4.36Å; F32-F36 WeakPolarHBondContact O-CB 3.38Å; F32-F36 PolarHBondContact O-N 3.45Å; I33-F36 PolarHBondContact O-N 3.09Å; F36-L39 WeakPolarHBondContact O-CB 3.44Å; F36-L39 PolarHBondContact O-N 3.46Å; F36-V40 HydrophobicContact CD1-CG2 3.76Å; F36-V40 HydrophobicContact CE1-CG2 3.31Å; F36-V40 HydrophobicContact CE2-CG2 4.47Å; F36-V40 HydrophobicContact CZ-CG2 3.73Å; F36-V40 WeakPolarHBondContact O-CG2 3.32Å; F36-V40 PolarHBondContact O-N 3.37Å |
| 37 | W | 74.2 | Confident | 77.1 | Confident | 104 Ų | 104 | 93.7 Ų | 93.7 | 39% | 0.394 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59.6 | -48.3 | 176.5 | -169.1 | -94.4 | 0 | 0 | 0 | 111.8 | I7 I33 G34 K35 L39 V40 E41 | I7-W37 HydrophobicContact CG1-CH2 4.31Å; I33-W37 WeakPolarHBondContact O-CB 3.14Å; I33-W37 PolarHBondContact O-N 3.47Å; G34-W37 PolarHBondContact O-N 3.46Å; K35-W37 VanDerWaalsContact C-N 3.32Å; W37-L39 PolarHBondContact O-N 3.28Å; W37-V40 PolarHBondContact O-N 3.11Å; W37-V40 VanDerWaalsContact O-N 3.15Å; W37-E41 VanDerWaalsContact CD1-CD 3.43Å; W37-E41 PolarHBondContact NE1-OE1 3.27Å; W37-E41 WeakPolarHBondContact O-CG 3.43Å; W37-E41 PolarHBondContact O-N 2.9Å |
| 38 | S | 77.6 | Confident | 77.9 | Confident | 67 Ų | 67 | 90.9 Ų | 90.9 | 47% | 0.469 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -58.8 | -37.2 | 176 | -179.6 | 0 | 0 | 0 | 0 | 112.5 | G34 K35 S42 | G34-S38 PolarHBondContact O-N 3.24Å; G34-S38 VanDerWaalsContact O-N 3.14Å; K35-S38 PolarHBondContact O-N 3.14Å; S38-S42 WeakPolarHBondContact O-CB 3.46Å; S38-S42 PolarHBondContact O-N 3.48Å; S38-S42 VanDerWaalsContact O-N 3.11Å; S38-S42 PolarHBondContact O-OG 3.28Å |
| 39 | L | 82.3 | Confident | 78.9 | Confident | 97 Ų | 97 | 90.1 Ų | 90.1 | 51% | 0.508 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -69.8 | -42.9 | 175.9 | -172.7 | 147.7 | 0 | 0 | 0 | 111.9 | K35 F36 W37 S42 I43 | K35-L39 PolarHBondContact O-N 3.39Å; K35-L39 VanDerWaalsContact O-N 3.12Å; F36-L39 WeakPolarHBondContact O-CB 3.44Å; F36-L39 PolarHBondContact O-N 3.46Å; W37-L39 PolarHBondContact O-N 3.28Å; L39-S42 WeakPolarHBondContact O-CB 3.49Å; L39-S42 PolarHBondContact O-N 3.44Å; L39-I43 HydrophobicContact CD2-CD1 3.46Å; L39-I43 VanDerWaalsContact CD2-CD1 3.46Å; L39-I43 HydrophobicContact CD2-CG1 4.28Å; L39-I43 HydrophobicContact CG-CD1 4.45Å; L39-I43 WeakPolarHBondContact O-CG1 3.38Å; L39-I43 PolarHBondContact O-N 3.22Å |
| 40 | V | 79.8 | Confident | 79.9 | Confident | 25 Ų | 25 | 88.8 Ų | 88.8 | 15% | 0.152 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -63.9 | -45.2 | 176.7 | 171.8 | 0 | 0 | 0 | 0 | 111.2 | I6 F36 W37 S42 I43 V44 | I6-V40 HydrophobicContact CD1-CG1 4.41Å; F36-V40 HydrophobicContact CD1-CG2 3.76Å; F36-V40 HydrophobicContact CE1-CG2 3.31Å; F36-V40 HydrophobicContact CE2-CG2 4.47Å; F36-V40 HydrophobicContact CZ-CG2 3.73Å; F36-V40 WeakPolarHBondContact O-CG2 3.32Å; F36-V40 PolarHBondContact O-N 3.37Å; W37-V40 PolarHBondContact O-N 3.11Å; W37-V40 VanDerWaalsContact O-N 3.15Å; V40-S42 VanDerWaalsContact C-N 3.27Å; V40-S42 PolarHBondContact O-N 3.32Å; V40-I43 PolarHBondContact O-N 3.42Å; V40-V44 HydrophobicContact CG1-CG2 4.27Å; V40-V44 WeakPolarHBondContact O-CG2 3.36Å; V40-V44 PolarHBondContact O-N 2.91Å |
| 41 | E | 78.7 | Confident | 80.9 | Confident | 105 Ų | 105 | 87.2 Ų | 87.2 | 49% | 0.491 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -57.4 | -42.5 | 175.2 | -74.7 | -177.6 | 154 | 0 | 0 | 111.4 | W37 V44 S45 | W37-E41 VanDerWaalsContact CD1-CD 3.43Å; W37-E41 PolarHBondContact NE1-OE1 3.27Å; W37-E41 WeakPolarHBondContact O-CG 3.43Å; W37-E41 PolarHBondContact O-N 2.9Å; E41-V44 PolarHBondContact O-N 3.49Å; E41-S45 WeakPolarHBondContact O-CB 3.38Å; E41-S45 PolarHBondContact O-N 3.24Å |
| 42 | S | 80.5 | Confident | 81.7 | Confident | 73 Ų | 73 | 84.7 Ų | 84.7 | 51% | 0.51 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63 | -43.6 | 176.6 | -59.4 | 0 | 0 | 0 | 0 | 112.1 | S38 L39 V40 S45 L46 | S38-S42 WeakPolarHBondContact O-CB 3.46Å; S38-S42 PolarHBondContact O-N 3.48Å; S38-S42 VanDerWaalsContact O-N 3.11Å; S38-S42 PolarHBondContact O-OG 3.28Å; L39-S42 WeakPolarHBondContact O-CB 3.49Å; L39-S42 PolarHBondContact O-N 3.44Å; V40-S42 VanDerWaalsContact C-N 3.27Å; V40-S42 PolarHBondContact O-N 3.32Å; S42-S45 PolarHBondContact O-N 3.45Å; S42-L46 WeakPolarHBondContact O-CB 3.32Å; S42-L46 PolarHBondContact O-N 2.96Å |
| 43 | I | 83.5 | Confident | 82.5 | Confident | 82 Ų | 82 | 81.3 Ų | 81.3 | 42% | 0.421 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -65.2 | -43.4 | 177.1 | -70 | 174.9 | 0 | 0 | 0 | 111.1 | L39 V40 S45 L46 I47 | L39-I43 HydrophobicContact CD2-CD1 3.46Å; L39-I43 VanDerWaalsContact CD2-CD1 3.46Å; L39-I43 HydrophobicContact CD2-CG1 4.28Å; L39-I43 HydrophobicContact CG-CD1 4.45Å; L39-I43 WeakPolarHBondContact O-CG1 3.38Å; L39-I43 PolarHBondContact O-N 3.22Å; V40-I43 PolarHBondContact O-N 3.42Å; I43-S45 VanDerWaalsContact C-N 3.35Å; I43-L46 PolarHBondContact O-N 3.36Å; I43-I47 HydrophobicContact CG2-CD1 3.78Å; I43-I47 HydrophobicContact CG2-CG1 4.4Å; I43-I47 VanDerWaalsContact O-CG1 3.32Å; I43-I47 WeakPolarHBondContact O-CG1 3.48Å; I43-I47 PolarHBondContact O-N 3.04Å |
| 44 | V | 81.6 | Confident | 83.4 | Confident | 57 Ų | 57 | 86.9 Ų | 86.9 | 35% | 0.345 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.5 | -44.7 | 178.1 | 171.3 | 0 | 0 | 0 | 0 | 110.5 | V40 E41 L46 I47 C48 | V40-V44 HydrophobicContact CG1-CG2 4.27Å; V40-V44 WeakPolarHBondContact O-CG2 3.36Å; V40-V44 PolarHBondContact O-N 2.91Å; E41-V44 PolarHBondContact O-N 3.49Å; V44-L46 VanDerWaalsContact C-N 3.32Å; V44-L46 PolarHBondContact O-N 2.82Å; V44-I47 PolarHBondContact O-N 3.47Å; V44-C48 PolarHBondContact O-N 2.92Å; V44-C48 PolarHBondContact O-SG 3.08Å |
| 45 | S | 82 | Confident | 84.1 | Confident | 82 Ų | 82 | 88.9 Ų | 88.9 | 57% | 0.573 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -58.6 | -44.4 | 175.3 | -174.1 | 0 | 0 | 0 | 0 | 111.7 | E41 S42 I43 C48 F49 | E41-S45 WeakPolarHBondContact O-CB 3.38Å; E41-S45 PolarHBondContact O-N 3.24Å; S42-S45 PolarHBondContact O-N 3.45Å; I43-S45 VanDerWaalsContact C-N 3.35Å; S45-C48 PolarHBondContact O-N 3.43Å; S45-F49 WeakPolarHBondContact O-CB 3.33Å; S45-F49 PolarHBondContact O-N 3.39Å |
| 46 | L | 85.9 | Confident | 84.8 | Confident | 106 Ų | 106 | 84.8 Ų | 84.8 | 56% | 0.555 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -61.9 | -45.2 | 176.6 | -178 | 65 | 0 | 0 | 0 | 112.3 | S42 I43 V44 C48 F49 V50 | S42-L46 WeakPolarHBondContact O-CB 3.32Å; S42-L46 PolarHBondContact O-N 2.96Å; I43-L46 PolarHBondContact O-N 3.36Å; V44-L46 VanDerWaalsContact C-N 3.32Å; V44-L46 PolarHBondContact O-N 2.82Å; L46-C48 VanDerWaalsContact C-N 3.34Å; L46-C48 PolarHBondContact O-N 3.34Å; L46-F49 WeakPolarHBondContact O-CB 3.32Å; L46-F49 PolarHBondContact O-N 2.98Å; L46-V50 HydrophobicContact CD1-CG2 4.44Å; L46-V50 WeakPolarHBondContact O-CG2 3.33Å; L46-V50 PolarHBondContact O-N 2.87Å |
| 47 | I | 86.3 | Confident | 85.3 | Confident | 92 Ų | 92 | 85.3 Ų | 85.3 | 47% | 0.472 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.8 | -43.5 | 177.4 | -68.9 | 166.8 | 0 | 0 | 0 | 110.6 | I43 V44 F49 V50 N51 | I43-I47 HydrophobicContact CG2-CD1 3.78Å; I43-I47 HydrophobicContact CG2-CG1 4.4Å; I43-I47 VanDerWaalsContact O-CG1 3.32Å; I43-I47 WeakPolarHBondContact O-CG1 3.48Å; I43-I47 PolarHBondContact O-N 3.04Å; V44-I47 PolarHBondContact O-N 3.47Å; I47-F49 VanDerWaalsContact C-N 3.34Å; I47-F49 PolarHBondContact O-N 3.19Å; I47-V50 PolarHBondContact O-N 3.26Å; I47-N51 WeakPolarHBondContact O-CB 3.41Å; I47-N51 PolarHBondContact O-N 3.43Å; I47-N51 PolarHBondContact O-ND2 2.9Å |
| 48 | C | 84.5 | Confident | 86.1 | Confident | 80 Ų | 80 | 81.6 Ų | 81.6 | 54% | 0.541 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -61.3 | -42.7 | 175.4 | -75.6 | 0 | 0 | 0 | 0 | 111.9 | V44 S45 L46 N51 G52 | V44-C48 PolarHBondContact O-N 2.92Å; V44-C48 PolarHBondContact O-SG 3.08Å; S45-C48 PolarHBondContact O-N 3.43Å; L46-C48 VanDerWaalsContact C-N 3.34Å; L46-C48 PolarHBondContact O-N 3.34Å; C48-N51 PolarHBondContact O-N 3.08Å; C48-G52 PolarHBondContact O-N 3.22Å |
| 49 | F | 89.4 | Confident | 86.7 | Confident | 135 Ų | 135 | 83.4 Ų | 83.4 | 59% | 0.592 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -62.2 | -47.1 | 177 | -179.2 | -105.3 | 0 | 0 | 0 | 112.1 | S45 L46 I47 N51 G52 I53 | S45-F49 WeakPolarHBondContact O-CB 3.33Å; S45-F49 PolarHBondContact O-N 3.39Å; L46-F49 WeakPolarHBondContact O-CB 3.32Å; L46-F49 PolarHBondContact O-N 2.98Å; I47-F49 VanDerWaalsContact C-N 3.34Å; I47-F49 PolarHBondContact O-N 3.19Å; F49-N51 PolarHBondContact O-N 3.48Å; F49-G52 PolarHBondContact O-N 3.41Å; F49-I53 HydrophobicContact CD1-CD1 3.81Å; F49-I53 HydrophobicContact CE1-CD1 3.27Å; F49-I53 HydrophobicContact CE1-CG1 4.32Å; F49-I53 HydrophobicContact CE2-CD1 4.34Å; F49-I53 HydrophobicContact CZ-CD1 3.59Å; F49-I53 HydrophobicContact CZ-CG1 4.33Å; F49-I53 PolarHBondContact O-N 2.92Å |
| 50 | V | 90.1 | Very high | 87 | Confident | 79 Ų | 79 | 87.2 Ų | 87.2 | 48% | 0.479 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62.7 | -42.2 | 177.2 | 173.1 | 0 | 0 | 0 | 0 | 111.3 | L46 I47 G52 I53 W54 | L46-V50 HydrophobicContact CD1-CG2 4.44Å; L46-V50 WeakPolarHBondContact O-CG2 3.33Å; L46-V50 PolarHBondContact O-N 2.87Å; I47-V50 PolarHBondContact O-N 3.26Å; V50-G52 VanDerWaalsContact C-N 3.31Å; V50-G52 PolarHBondContact O-N 3.39Å; V50-I53 PolarHBondContact O-N 3.4Å; V50-W54 WeakPolarHBondContact O-CB 3.45Å; V50-W54 PolarHBondContact O-N 2.93Å |
| 51 | N | 89.3 | Confident | 87.5 | Confident | 98 Ų | 98 | 91.8 Ų | 91.8 | 52% | 0.524 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.7 | -38.3 | 174.9 | -78.6 | -27.8 | 0 | 0 | 0 | 112.2 | I47 C48 F49 W54 N55 | I47-N51 WeakPolarHBondContact O-CB 3.41Å; I47-N51 PolarHBondContact O-N 3.43Å; I47-N51 PolarHBondContact O-ND2 2.9Å; C48-N51 PolarHBondContact O-N 3.08Å; F49-N51 PolarHBondContact O-N 3.48Å; N51-W54 PolarHBondContact O-N 3.25Å; N51-N55 WeakPolarHBondContact O-CB 3.39Å; N51-N55 PolarHBondContact O-N 3.42Å |
| 52 | G | 90.7 | Very high | 87.9 | Confident | 35 Ų | 35 | 91.2 Ų | 91.2 | 36% | 0.361 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -60.7 | -50.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | C48 F49 V50 W54 N55 T56 | C48-G52 PolarHBondContact O-N 3.22Å; F49-G52 PolarHBondContact O-N 3.41Å; V50-G52 VanDerWaalsContact C-N 3.31Å; V50-G52 PolarHBondContact O-N 3.39Å; G52-W54 VanDerWaalsContact C-N 3.31Å; G52-W54 PolarHBondContact O-N 3.33Å; G52-N55 PolarHBondContact O-N 3.12Å; G52-T56 PolarHBondContact O-N 3.43Å; G52-T56 PolarHBondContact O-OG1 3.41Å; G52-T56 VanDerWaalsContact O-OG1 3.13Å |
| 53 | I | 91.3 | Very high | 88.2 | Confident | 76 Ų | 76 | 91.5 Ų | 91.5 | 39% | 0.39 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -57 | -46.4 | 175.4 | -69.8 | 171.9 | 0 | 0 | 0 | 110.7 | F49 V50 N55 T56 I57 | F49-I53 HydrophobicContact CD1-CD1 3.81Å; F49-I53 HydrophobicContact CE1-CD1 3.27Å; F49-I53 HydrophobicContact CE1-CG1 4.32Å; F49-I53 HydrophobicContact CE2-CD1 4.34Å; F49-I53 HydrophobicContact CZ-CD1 3.59Å; F49-I53 HydrophobicContact CZ-CG1 4.33Å; F49-I53 PolarHBondContact O-N 2.92Å; V50-I53 PolarHBondContact O-N 3.4Å; I53-N55 VanDerWaalsContact C-N 3.33Å; I53-N55 PolarHBondContact O-N 3.34Å; I53-T56 PolarHBondContact O-N 3.45Å; I53-I57 HydrophobicContact CG2-CD1 3.68Å; I53-I57 HydrophobicContact CG2-CG1 4.28Å; I53-I57 WeakPolarHBondContact O-CG1 3.48Å; I53-I57 PolarHBondContact O-N 3.33Å |
| 54 | W | 90.2 | Very high | 88.2 | Confident | 157 Ų | 157 | 94.5 Ų | 94.5 | 60% | 0.595 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -60.3 | -43.3 | 179.6 | -175.3 | -104.9 | 0 | 0 | 0 | 111.9 | V50 N51 G52 I57 N58 | V50-W54 WeakPolarHBondContact O-CB 3.45Å; V50-W54 PolarHBondContact O-N 2.93Å; N51-W54 PolarHBondContact O-N 3.25Å; G52-W54 VanDerWaalsContact C-N 3.31Å; G52-W54 PolarHBondContact O-N 3.33Å; W54-I57 PolarHBondContact O-N 2.96Å; W54-N58 PolarHBondContact NE1-ND2 3.04Å; W54-N58 PolarHBondContact O-N 3.21Å; W54-N58 PolarHBondContact O-ND2 3.13Å |
| 55 | N | 91.9 | Very high | 88.3 | Confident | 84 Ų | 84 | 98.6 Ų | 98.6 | 45% | 0.449 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.7 | -46.4 | 175.9 | -169.3 | 57.6 | 0 | 0 | 0 | 111.5 | N51 G52 I53 I57 N58 E59 | N51-N55 WeakPolarHBondContact O-CB 3.39Å; N51-N55 PolarHBondContact O-N 3.42Å; G52-N55 PolarHBondContact O-N 3.12Å; I53-N55 VanDerWaalsContact C-N 3.33Å; I53-N55 PolarHBondContact O-N 3.34Å; N55-I57 PolarHBondContact O-N 3.25Å; N55-N58 WeakPolarHBondContact O-CB 3.42Å; N55-N58 PolarHBondContact O-N 2.93Å; N55-N58 VanDerWaalsContact O-N 3.12Å; N55-E59 PolarHBondContact ND2-OE1 3.44Å; N55-E59 WeakPolarHBondContact O-CG 3.49Å; N55-E59 PolarHBondContact O-N 3Å |
| 56 | T | 91.6 | Very high | 88.3 | Confident | 65 Ų | 65 | 99.6 Ų | 99.6 | 40% | 0.399 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58.5 | -44.7 | 176.1 | -59.7 | 0 | 0 | 0 | 0 | 111.9 | G52 I53 N58 E59 W60 | G52-T56 PolarHBondContact O-N 3.43Å; G52-T56 PolarHBondContact O-OG1 3.41Å; G52-T56 VanDerWaalsContact O-OG1 3.13Å; I53-T56 PolarHBondContact O-N 3.45Å; T56-N58 VanDerWaalsContact C-N 3.32Å; T56-N58 PolarHBondContact O-N 3.06Å; T56-E59 PolarHBondContact O-N 2.94Å; T56-W60 PolarHBondContact O-N 3.41Å |
| 57 | I | 91.3 | Very high | 88.2 | Confident | 92 Ų | 92 | 98.6 Ų | 98.6 | 47% | 0.472 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.6 | -42 | 175.8 | -69.4 | 169.3 | 0 | 0 | 0 | 111.2 | I53 W54 N55 W60 R61 | I53-I57 HydrophobicContact CG2-CD1 3.68Å; I53-I57 HydrophobicContact CG2-CG1 4.28Å; I53-I57 WeakPolarHBondContact O-CG1 3.48Å; I53-I57 PolarHBondContact O-N 3.33Å; W54-I57 PolarHBondContact O-N 2.96Å; N55-I57 PolarHBondContact O-N 3.25Å; I57-W60 PolarHBondContact O-N 2.94Å; I57-R61 WeakPolarHBondContact O-CB 3.49Å; I57-R61 PolarHBondContact O-N 2.92Å |
| 58 | N | 90.9 | Very high | 87.7 | Confident | 27 Ų | 27 | 97.4 Ų | 97.4 | 14% | 0.144 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -64.6 | -39.7 | 177.3 | -73.1 | -43.2 | 0 | 0 | 0 | 112.1 | W54 N55 T56 R61 I62 | W54-N58 PolarHBondContact NE1-ND2 3.04Å; W54-N58 PolarHBondContact O-N 3.21Å; W54-N58 PolarHBondContact O-ND2 3.13Å; N55-N58 WeakPolarHBondContact O-CB 3.42Å; N55-N58 PolarHBondContact O-N 2.93Å; N55-N58 VanDerWaalsContact O-N 3.12Å; T56-N58 VanDerWaalsContact C-N 3.32Å; T56-N58 PolarHBondContact O-N 3.06Å; N58-R61 WeakPolarHBondContact O-CB 3.45Å; N58-R61 PolarHBondContact O-N 3.35Å; N58-R61 PolarHBondContact OD1-NH1 3.01Å; N58-R61 PolarHBondContact OD1-NH2 3.06Å; N58-I62 WeakPolarHBondContact O-CG1 3.43Å; N58-I62 PolarHBondContact O-N 2.8Å; N58-I62 VanDerWaalsContact O-N 3.07Å |
| 59 | E | 89.4 | Confident | 87.2 | Confident | 104 Ų | 104 | 98.7 Ų | 98.7 | 49% | 0.486 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.8 | -47.9 | 174.7 | -73 | 173.8 | -172.3 | 0 | 0 | 111.5 | N55 T56 R61 I62 V63 | N55-E59 PolarHBondContact ND2-OE1 3.44Å; N55-E59 WeakPolarHBondContact O-CG 3.49Å; N55-E59 PolarHBondContact O-N 3Å; T56-E59 PolarHBondContact O-N 2.94Å; E59-R61 VanDerWaalsContact C-N 3.28Å; E59-R61 PolarHBondContact O-N 3.34Å; E59-I62 PolarHBondContact O-N 2.88Å; E59-I62 VanDerWaalsContact O-N 3.12Å; E59-V63 WeakPolarHBondContact O-CG2 3.34Å; E59-V63 PolarHBondContact O-N 2.93Å |
| 60 | W | 88.9 | Confident | 86.2 | Confident | 178 Ų | 178 | 96.4 Ų | 96.4 | 67% | 0.674 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -58.5 | -40 | 174.8 | -78.5 | 110.2 | 0 | 0 | 0 | 112.4 | T56 I57 I62 V63 F64 | T56-W60 PolarHBondContact O-N 3.41Å; I57-W60 PolarHBondContact O-N 2.94Å; W60-I62 VanDerWaalsContact C-N 3.34Å; W60-I62 PolarHBondContact O-N 3.38Å; W60-V63 PolarHBondContact O-N 3.34Å; W60-F64 WeakPolarHBondContact O-CB 3.48Å; W60-F64 PolarHBondContact O-N 2.78Å |
| 61 | R | 88.9 | Confident | 84.7 | Confident | 121 Ų | 121 | 101 Ų | 101 | 46% | 0.457 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.2 | -44 | 175.8 | -172.2 | -178.5 | 70.3 | -134.6 | -8.8 | 111.1 | I57 N58 E59 F64 Y65 | I57-R61 WeakPolarHBondContact O-CB 3.49Å; I57-R61 PolarHBondContact O-N 2.92Å; N58-R61 WeakPolarHBondContact O-CB 3.45Å; N58-R61 PolarHBondContact O-N 3.35Å; N58-R61 PolarHBondContact OD1-NH1 3.01Å; N58-R61 PolarHBondContact OD1-NH2 3.06Å; E59-R61 VanDerWaalsContact C-N 3.28Å; E59-R61 PolarHBondContact O-N 3.34Å; R61-F64 PolarHBondContact O-N 3.32Å; R61-Y65 HydrophobicContact CG-CD2 3.74Å; R61-Y65 HydrophobicContact CG-CE2 3.52Å; R61-Y65 WeakPolarHBondContact O-CD2 3.17Å; R61-Y65 PolarHBondContact O-N 3.47Å |
| 62 | I | 87 | Confident | 84.5 | Confident | 93 Ų | 93 | 101.2 Ų | 101.2 | 48% | 0.477 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.5 | -44.7 | 177.9 | -67.5 | 163.6 | 0 | 0 | 0 | 111 | N58 E59 W60 F64 Y65 N66 | N58-I62 WeakPolarHBondContact O-CG1 3.43Å; N58-I62 PolarHBondContact O-N 2.8Å; N58-I62 VanDerWaalsContact O-N 3.07Å; E59-I62 PolarHBondContact O-N 2.88Å; E59-I62 VanDerWaalsContact O-N 3.12Å; W60-I62 VanDerWaalsContact C-N 3.34Å; W60-I62 PolarHBondContact O-N 3.38Å; I62-F64 VanDerWaalsContact C-N 3.32Å; I62-F64 PolarHBondContact O-N 3.23Å; I62-Y65 PolarHBondContact O-N 3.12Å; I62-N66 PolarHBondContact O-N 3.07Å |
| 63 | V | 87.9 | Confident | 84.2 | Confident | 79 Ų | 79 | 104.7 Ų | 104.7 | 48% | 0.479 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.2 | -43.8 | 177.2 | 174.5 | 0 | 0 | 0 | 0 | 111.1 | E59 W60 N66 T67 | E59-V63 WeakPolarHBondContact O-CG2 3.34Å; E59-V63 PolarHBondContact O-N 2.93Å; W60-V63 PolarHBondContact O-N 3.34Å; V63-N66 PolarHBondContact O-N 3.02Å; V63-T67 PolarHBondContact O-N 3.18Å; V63-T67 VanDerWaalsContact O-N 3.07Å; V63-T67 PolarHBondContact O-OG1 3.1Å |
| 64 | F | 83.7 | Confident | 83.8 | Confident | 144 Ų | 144 | 106.3 Ų | 106.3 | 63% | 0.632 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -63.2 | -47.7 | 178.8 | -168.6 | -94.3 | 0 | 0 | 0 | 111.8 | W60 R61 I62 N66 T67 T68 | W60-F64 WeakPolarHBondContact O-CB 3.48Å; W60-F64 PolarHBondContact O-N 2.78Å; R61-F64 PolarHBondContact O-N 3.32Å; I62-F64 VanDerWaalsContact C-N 3.32Å; I62-F64 PolarHBondContact O-N 3.23Å; F64-N66 PolarHBondContact O-N 3.07Å; F64-T67 PolarHBondContact O-N 3.22Å; F64-T68 HydrophobicContact CD1-CG2 4.12Å; F64-T68 HydrophobicContact CE1-CG2 3.74Å; F64-T68 HydrophobicContact CZ-CG2 4.07Å; F64-T68 PolarHBondContact O-N 3.45Å; F64-T68 PolarHBondContact O-OG1 3.37Å |
| 65 | Y | 82.5 | Confident | 83.4 | Confident | 144 Ų | 144 | 103.3 Ų | 103.3 | 57% | 0.565 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -57.6 | -48.9 | 177.1 | -86.5 | -66.3 | 0 | 0 | 0 | 112.2 | R61 I62 T67 T68 T69 | R61-Y65 HydrophobicContact CG-CD2 3.74Å; R61-Y65 HydrophobicContact CG-CE2 3.52Å; R61-Y65 WeakPolarHBondContact O-CD2 3.17Å; R61-Y65 PolarHBondContact O-N 3.47Å; I62-Y65 PolarHBondContact O-N 3.12Å; Y65-T67 VanDerWaalsContact C-N 3.27Å; Y65-T67 PolarHBondContact O-N 3Å; Y65-T68 WeakPolarHBondContact CA-OG1 3.5Å; Y65-T68 PolarHBondContact O-N 3.37Å; Y65-T68 PolarHBondContact O-OG1 3.28Å; Y65-T69 PolarHBondContact O-N 3.49Å; Y65-T69 VanDerWaalsContact O-N 3.1Å; Y65-T69 PolarHBondContact O-OG1 3.05Å |
| 66 | N | 82.7 | Confident | 82.8 | Confident | 103 Ų | 103 | 104.5 Ų | 104.5 | 55% | 0.551 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -62.7 | -33.9 | 180 | -71.9 | -15.7 | 0 | 0 | 0 | 112.8 | I62 V63 F64 T69 A70 | I62-N66 PolarHBondContact O-N 3.07Å; V63-N66 PolarHBondContact O-N 3.02Å; F64-N66 PolarHBondContact O-N 3.07Å; N66-T69 PolarHBondContact O-OG1 3.38Å; N66-A70 WeakPolarHBondContact O-CB 3.41Å; N66-A70 PolarHBondContact O-N 2.82Å |
| 67 | T | 83.2 | Confident | 82.3 | Confident | 85 Ų | 85 | 107.1 Ų | 107.1 | 52% | 0.521 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -71.2 | -41.2 | 177.2 | -50.9 | 0 | 0 | 0 | 0 | 111.2 | V63 F64 Y65 A70 | V63-T67 PolarHBondContact O-N 3.18Å; V63-T67 VanDerWaalsContact O-N 3.07Å; V63-T67 PolarHBondContact O-OG1 3.1Å; F64-T67 PolarHBondContact O-N 3.22Å; Y65-T67 VanDerWaalsContact C-N 3.27Å; Y65-T67 PolarHBondContact O-N 3Å; T67-A70 PolarHBondContact O-N 3.16Å |
| 68 | T | 76.9 | Confident | 81.6 | Confident | 66 Ų | 66 | 108.2 Ų | 108.2 | 41% | 0.405 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -69.9 | -30.4 | 179.9 | 49.7 | 0 | 0 | 0 | 0 | 114.1 | F64 Y65 A70 | F64-T68 HydrophobicContact CD1-CG2 4.12Å; F64-T68 HydrophobicContact CE1-CG2 3.74Å; F64-T68 HydrophobicContact CZ-CG2 4.07Å; F64-T68 PolarHBondContact O-N 3.45Å; F64-T68 PolarHBondContact O-OG1 3.37Å; Y65-T68 WeakPolarHBondContact CA-OG1 3.5Å; Y65-T68 PolarHBondContact O-N 3.37Å; Y65-T68 PolarHBondContact O-OG1 3.28Å; T68-A70 VanDerWaalsContact C-N 3.34Å |
| 69 | T | 73 | Confident | 80.9 | Confident | 107 Ų | 107 | 114.5 Ų | 114.5 | 66% | 0.656 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -83.8 | -12.2 | 177.3 | 53.9 | 0 | 0 | 0 | 0 | 113.3 | Y65 N66 V71 | Y65-T69 PolarHBondContact O-N 3.49Å; Y65-T69 VanDerWaalsContact O-N 3.1Å; Y65-T69 PolarHBondContact O-OG1 3.05Å; N66-T69 PolarHBondContact O-OG1 3.38Å; T69-V71 VanDerWaalsContact C-N 3.34Å |
| 70 | A | 69.9 | Low | 80.2 | Confident | 87 Ų | 87 | 115.3 Ų | 115.3 | 72% | 0.719 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | -9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | N66 T67 T68 | N66-A70 WeakPolarHBondContact O-CB 3.41Å; N66-A70 PolarHBondContact O-N 2.82Å; T67-A70 PolarHBondContact O-N 3.16Å; T68-A70 VanDerWaalsContact C-N 3.34Å |
| 71 | V | 57.9 | Low | 79.4 | Confident | 177 Ų | 177 | 109.6 Ų | 109.6 | 100% | 1.073 | 59% | 0.594 | S | S | * | * | trans | -102.2 | 0 | 174.2 | -176.5 | 0 | 0 | 0 | 0 | 109.2 | T69 | T69-V71 VanDerWaalsContact C-N 3.34Š|
Retrieved 71 of 71 residues in 16.5 ms
(Link to these results)