| 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 | 41 | Very low | 49.8 | Very low | 255 Ų | 255 | 140.1 Ų | 140.1 | 100% | 1.256 | 71% | 0.711 | S | S | * | * | 0 | 101.2 | 0 | -70.2 | 169.4 | 172.1 | 0 | 0 | 106.4 | |||||
| 2 | G | 49 | Very low | 49.5 | Very low | 61 Ų | 61 | 138.3 Ų | 138.3 | 63% | 0.629 | 70% | 0.698 | S | S | * | * | trans | 175.7 | -9.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | S4 | G2-S4 PolarHBondContact O-N 3.27Š| ||
| 3 | T | 52.2 | Low | 49.3 | Very low | 118 Ų | 118 | 135.2 Ų | 135.2 | 72% | 0.724 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.5 | 5.2 | -172.6 | 53.6 | 0 | 0 | 0 | 0 | 114.8 | ||
| 4 | S | 54.3 | Low | 49.2 | Very low | 89 Ų | 89 | 129.9 Ų | 129.9 | 62% | 0.622 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.6 | -11.6 | -172.2 | -164.1 | 0 | 0 | 0 | 0 | 114.5 | G2 | G2-S4 PolarHBondContact O-N 3.27Š|
| 5 | M | 51.9 | Low | 49.1 | Very low | 154 Ų | 154 | 126.8 Ų | 126.8 | 76% | 0.759 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -93.1 | -27.7 | -177.8 | -69.9 | -174.9 | 173.2 | 0 | 0 | 112.9 | E7 Y9 | M5-E7 VanDerWaalsContact C-N 3.35Å; M5-E7 PolarHBondContact O-N 2.92Å; M5-Y9 WeakPolarHBondContact O-CD2 3.38Å |
| 6 | E | 52 | Low | 49.2 | Very low | 145 Ų | 145 | 127.4 Ų | 127.4 | 68% | 0.678 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -73.2 | -24.7 | -179.1 | -73.6 | 174.3 | 107 | 0 | 0 | 113.5 | ||
| 7 | E | 51.2 | Low | 49.5 | Very low | 130 Ų | 130 | 121.9 Ų | 121.9 | 61% | 0.607 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -76.6 | -34.4 | 179.7 | -69.3 | -177.3 | 145 | 0 | 0 | 112.5 | M5 R10 M11 | M5-E7 VanDerWaalsContact C-N 3.35Å; M5-E7 PolarHBondContact O-N 2.92Å; E7-R10 PolarHBondContact O-N 3.3Å; E7-M11 WeakPolarHBondContact O-CG 3.41Å; E7-M11 PolarHBondContact O-N 2.91Å |
| 8 | D | 48.7 | Very low | 49.9 | Very low | 99 Ų | 99 | 118.7 Ų | 118.7 | 53% | 0.529 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -67 | -35.4 | 176.6 | -100.4 | -61.6 | 0 | 0 | 0 | 112.6 | M11 Q12 | D8-M11 PolarHBondContact O-N 3.42Å; D8-Q12 PolarHBondContact O-N 2.91Å; D8-Q12 VanDerWaalsContact O-N 3.1Å |
| 9 | Y | 49 | Very low | 50.2 | Low | 164 Ų | 164 | 117.1 Ų | 117.1 | 64% | 0.643 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -65.9 | -39.9 | 175.3 | -86.7 | -90.1 | 0 | 0 | 0 | 111.9 | M5 M11 Q12 D13 | M5-Y9 WeakPolarHBondContact O-CD2 3.38Å; Y9-M11 VanDerWaalsContact C-N 3.3Å; Y9-M11 PolarHBondContact O-N 3.45Å; Y9-Q12 PolarHBondContact O-N 3.24Å; Y9-D13 PolarHBondContact O-N 2.88Å; Y9-D13 VanDerWaalsContact O-N 3.11Å |
| 10 | R | 48.9 | Very low | 50.7 | Low | 199 Ų | 199 | 113.4 Ų | 113.4 | 75% | 0.751 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -66.8 | -30.7 | 176.3 | -71.6 | -171.7 | 174.9 | -170.4 | 0.4 | 113.1 | E7 A14 | E7-R10 PolarHBondContact O-N 3.3Å; R10-A14 PolarHBondContact O-N 3.42Å |
| 11 | M | 49.5 | Very low | 51.2 | Low | 127 Ų | 127 | 109.9 Ų | 109.9 | 63% | 0.626 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -73.6 | -36.6 | 175 | -67.5 | -169.8 | -167.6 | 0 | 0 | 111.9 | E7 D8 Y9 A14 T15 | E7-M11 WeakPolarHBondContact O-CG 3.41Å; E7-M11 PolarHBondContact O-N 2.91Å; D8-M11 PolarHBondContact O-N 3.42Å; Y9-M11 VanDerWaalsContact C-N 3.3Å; Y9-M11 PolarHBondContact O-N 3.45Å; M11-A14 PolarHBondContact O-N 2.84Å; M11-T15 PolarHBondContact O-N 3.5Å; M11-T15 VanDerWaalsContact O-N 3.15Å; M11-T15 PolarHBondContact O-OG1 2.81Å |
| 12 | Q | 46.7 | Very low | 52.4 | Low | 119 Ų | 119 | 101.8 Ų | 101.8 | 56% | 0.556 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -63.7 | -41.8 | 174.7 | -80.3 | -179.1 | 44.9 | 0 | 0 | 112.2 | D8 Y9 A14 T15 F16 | D8-Q12 PolarHBondContact O-N 2.91Å; D8-Q12 VanDerWaalsContact O-N 3.1Å; Y9-Q12 PolarHBondContact O-N 3.24Å; Q12-A14 VanDerWaalsContact C-N 3.3Å; Q12-A14 PolarHBondContact O-N 3.34Å; Q12-T15 WeakPolarHBondContact CA-OG1 3.28Å; Q12-T15 PolarHBondContact O-N 3.09Å; Q12-T15 VanDerWaalsContact O-N 3.16Å; Q12-T15 PolarHBondContact O-OG1 2.99Å; Q12-F16 PolarHBondContact O-N 3.06Å |
| 13 | D | 46.7 | Very low | 53.4 | Low | 97 Ų | 97 | 104.3 Ų | 104.3 | 52% | 0.519 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -59.8 | -39.7 | 175.5 | -74 | -27.9 | 0 | 0 | 0 | 112.3 | Y9 F16 C17 | Y9-D13 PolarHBondContact O-N 2.88Å; Y9-D13 VanDerWaalsContact O-N 3.11Å; D13-F16 PolarHBondContact O-N 2.7Å; D13-C17 WeakPolarHBondContact O-CB 3.28Å; D13-C17 PolarHBondContact O-N 3.37Å |
| 14 | A | 48.3 | Very low | 54.1 | Low | 61 Ų | 61 | 100.8 Ų | 100.8 | 50% | 0.504 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.8 | -38.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | R10 M11 Q12 S18 | R10-A14 PolarHBondContact O-N 3.42Å; M11-A14 PolarHBondContact O-N 2.84Å; Q12-A14 VanDerWaalsContact C-N 3.3Å; Q12-A14 PolarHBondContact O-N 3.34Å; A14-S18 PolarHBondContact O-N 2.81Å; A14-S18 VanDerWaalsContact O-N 3.12Å |
| 15 | T | 47.1 | Very low | 54.6 | Low | 84 Ų | 84 | 99.3 Ų | 99.3 | 52% | 0.515 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -71.6 | -36.5 | 176 | 43.5 | 0 | 0 | 0 | 0 | 112.9 | M11 Q12 S18 C19 | M11-T15 PolarHBondContact O-N 3.5Å; M11-T15 VanDerWaalsContact O-N 3.15Å; M11-T15 PolarHBondContact O-OG1 2.81Å; Q12-T15 WeakPolarHBondContact CA-OG1 3.28Å; Q12-T15 PolarHBondContact O-N 3.09Å; Q12-T15 VanDerWaalsContact O-N 3.16Å; Q12-T15 PolarHBondContact O-OG1 2.99Å; T15-S18 PolarHBondContact O-N 3.45Å; T15-S18 PolarHBondContact O-OG 3.5Å; T15-C19 PolarHBondContact O-N 3.19Å; T15-C19 PolarHBondContact O-SG 3.5Å |
| 16 | F | 51.2 | Low | 55.4 | Low | 137 Ų | 137 | 97.7 Ų | 97.7 | 60% | 0.601 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -69.5 | -39.2 | 176.8 | -138 | -94.8 | 0 | 0 | 0 | 111.5 | Q12 D13 C19 F20 | Q12-F16 PolarHBondContact O-N 3.06Å; D13-F16 PolarHBondContact O-N 2.7Å; F16-C19 PolarHBondContact O-N 3.08Å; F16-F20 VanDerWaalsContact O-CB 3.31Å; F16-F20 WeakPolarHBondContact O-CB 3.29Å; F16-F20 PolarHBondContact O-N 2.88Å |
| 17 | C | 54.3 | Low | 56.3 | Low | 33 Ų | 33 | 93.6 Ų | 93.6 | 22% | 0.223 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -56.4 | -50.3 | 172.5 | 173 | 0 | 0 | 0 | 0 | 111.4 | D13 C19 F20 H21 S79 | D13-C17 WeakPolarHBondContact O-CB 3.28Å; D13-C17 PolarHBondContact O-N 3.37Å; C17-C19 PolarHBondContact O-N 3.5Å; C17-F20 PolarHBondContact O-N 2.93Å; C17-H21 PolarHBondContact O-CD2 2.91Å; C17-H21 PolarHBondContact O-N 3.03Å; C17-H21 VanDerWaalsContact O-N 3.07Å; C17-H21 VanDerWaalsContact SG-CD2 3.59Å; C17-H21 PolarHBondContact SG-NE2 3.26Å; C17-S79 PolarHBondContact SG-OG 3.26Å |
| 18 | S | 55.6 | Low | 57 | Low | 64 Ų | 64 | 91.8 Ų | 91.8 | 45% | 0.448 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.4 | -39.6 | -179.8 | 67.3 | 0 | 0 | 0 | 0 | 113.8 | A14 T15 V22 | A14-S18 PolarHBondContact O-N 2.81Å; A14-S18 VanDerWaalsContact O-N 3.12Å; T15-S18 PolarHBondContact O-N 3.45Å; T15-S18 PolarHBondContact O-OG 3.5Å; S18-V22 WeakPolarHBondContact O-CG2 3.21Å; S18-V22 PolarHBondContact O-N 3.47Å |
| 19 | C | 55.7 | Low | 57.8 | Low | 88 Ų | 88 | 89.9 Ų | 89.9 | 60% | 0.595 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -67.5 | -39 | 176.9 | -64 | 0 | 0 | 0 | 0 | 112.1 | T15 F16 C17 V22 F23 | T15-C19 PolarHBondContact O-N 3.19Å; T15-C19 PolarHBondContact O-SG 3.5Å; F16-C19 PolarHBondContact O-N 3.08Å; C17-C19 PolarHBondContact O-N 3.5Å; C19-V22 PolarHBondContact O-N 2.96Å; C19-F23 PolarHBondContact O-N 3.48Å; C19-F23 VanDerWaalsContact O-N 3.08Å |
| 20 | F | 61.7 | Low | 58.7 | Low | 44 Ų | 44 | 86.9 Ų | 86.9 | 19% | 0.193 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -69.9 | -36.5 | -179.1 | -175.9 | -97.8 | 0 | 0 | 0 | 112.6 | F16 C17 V22 F23 M24 F82 | F16-F20 VanDerWaalsContact O-CB 3.31Å; F16-F20 WeakPolarHBondContact O-CB 3.29Å; F16-F20 PolarHBondContact O-N 2.88Å; C17-F20 PolarHBondContact O-N 2.93Å; F20-V22 PolarHBondContact O-N 2.84Å; F20-F23 PolarHBondContact O-N 3.46Å; F20-M24 HydrophobicContact CD1-CG 3.98Å; F20-M24 HydrophobicContact CD2-CE 4.32Å; F20-M24 HydrophobicContact CD2-CG 4.5Å; F20-M24 HydrophobicContact CE1-CE 4.2Å; F20-M24 HydrophobicContact CE1-CG 3.49Å; F20-M24 VanDerWaalsContact CE1-CG 3.49Å; F20-M24 HydrophobicContact CE2-CE 3.33Å; F20-M24 HydrophobicContact CE2-CG 4.09Å; F20-M24 HydrophobicContact CG-CG 4.46Å; F20-M24 HydrophobicContact CZ-CE 3.24Å; F20-M24 HydrophobicContact CZ-CG 3.56Å; F20-M24 HydrophobicContact CZ-SD 4.09Å; F20-M24 WeakPolarHBondContact O-CB 3.16Å; F20-M24 PolarHBondContact O-N 2.83Å; F20-F82 HydrophobicContact CD1-CB 4.37Å; F20-F82 HydrophobicContact CD1-CG 4.5Å; F20-F82 HydrophobicContact CE1-CB 3.73Å; F20-F82 HydrophobicContact CE1-CD1 4.01Å; F20-F82 AromaticContact CE1-CD2 3.47Å; F20-F82 HydrophobicContact CE1-CD2 3.47Å; F20-F82 VanDerWaalsContact CE1-CD2 3.47Å; F20-F82 HydrophobicContact CE1-CE2 4.03Å; F20-F82 AromaticContact CE1-CG 3.45Å; F20-F82 HydrophobicContact CE1-CG 3.45Å; F20-F82 VanDerWaalsContact CE1-CG 3.45Å; F20-F82 HydrophobicContact CE2-CD1 4.03Å; F20-F82 HydrophobicContact CE2-CE1 4.42Å; F20-F82 HydrophobicContact CE2-CG 4.26Å; F20-F82 HydrophobicContact CZ-CB 3.87Å; F20-F82 AromaticContact CZ-CD1 3.33Å; F20-F82 HydrophobicContact CZ-CD1 3.33Å; F20-F82 AromaticContact CZ-CD2 3.59Å; F20-F82 HydrophobicContact CZ-CD2 3.59Å; F20-F82 AromaticContact CZ-CE1 3.66Å; F20-F82 HydrophobicContact CZ-CE1 3.66Å; F20-F82 AromaticContact CZ-CE2 3.89Å; F20-F82 HydrophobicContact CZ-CE2 3.89Å; F20-F82 AromaticContact CZ-CG 3.29Å; F20-F82 HydrophobicContact CZ-CG 3.29Å; F20-F82 AromaticContact CZ-CZ 3.93Å; F20-F82 HydrophobicContact CZ-CZ 3.93Å |
| 21 | H | 61.2 | Low | 59.4 | Low | 39 Ų | 39 | 81.7 Ų | 81.7 | 18% | 0.181 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -60.6 | -44.1 | 173.7 | -73.7 | -55.3 | 0 | 0 | 0 | 112.3 | C17 F23 M24 A25 A75 | C17-H21 PolarHBondContact O-CD2 2.91Å; C17-H21 PolarHBondContact O-N 3.03Å; C17-H21 VanDerWaalsContact O-N 3.07Å; C17-H21 VanDerWaalsContact SG-CD2 3.59Å; C17-H21 PolarHBondContact SG-NE2 3.26Å; H21-F23 VanDerWaalsContact C-N 3.33Å; H21-F23 PolarHBondContact O-N 2.87Å; H21-M24 PolarHBondContact O-N 2.65Å; H21-A25 VanDerWaalsContact O-CB 3.22Å; H21-A25 WeakPolarHBondContact O-CB 3.42Å; H21-A25 PolarHBondContact O-N 3.28Å; H21-A75 PolarHBondContact CE1-O 3.34Å |
| 22 | V | 65.3 | Low | 59.9 | Low | 85 Ų | 85 | 80.5 Ų | 80.5 | 52% | 0.515 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -64.5 | -40.8 | 177 | 178.7 | 0 | 0 | 0 | 0 | 110.6 | S18 C19 F20 A25 Q26 | S18-V22 WeakPolarHBondContact O-CG2 3.21Å; S18-V22 PolarHBondContact O-N 3.47Å; C19-V22 PolarHBondContact O-N 2.96Å; F20-V22 PolarHBondContact O-N 2.84Å; V22-A25 PolarHBondContact O-N 3.39Å; V22-Q26 WeakPolarHBondContact O-CB 3.39Å; V22-Q26 VanDerWaalsContact O-CG 3.29Å; V22-Q26 WeakPolarHBondContact O-CG 3.23Å; V22-Q26 PolarHBondContact O-N 2.7Å |
| 23 | F | 69.3 | Low | 60.5 | Low | 114 Ų | 114 | 80.5 Ų | 80.5 | 50% | 0.5 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.6 | -47.4 | 176.7 | -177.8 | -109.5 | 0 | 0 | 0 | 112.5 | C19 F20 H21 Q26 I27 | C19-F23 PolarHBondContact O-N 3.48Å; C19-F23 VanDerWaalsContact O-N 3.08Å; F20-F23 PolarHBondContact O-N 3.46Å; H21-F23 VanDerWaalsContact C-N 3.33Å; H21-F23 PolarHBondContact O-N 2.87Å; F23-Q26 PolarHBondContact O-N 2.85Å; F23-I27 HydrophobicContact CD1-CD1 3.64Å; F23-I27 HydrophobicContact CE1-CD1 3.22Å; F23-I27 HydrophobicContact CE1-CG1 4.35Å; F23-I27 HydrophobicContact CE2-CD1 4.21Å; F23-I27 HydrophobicContact CG-CD1 4.31Å; F23-I27 HydrophobicContact CZ-CD1 3.55Å; F23-I27 HydrophobicContact CZ-CG1 4.36Å; F23-I27 WeakPolarHBondContact O-CG1 3.3Å; F23-I27 PolarHBondContact O-N 3.24Å |
| 24 | M | 66.6 | Low | 60.9 | Low | 44 Ų | 44 | 79.4 Ų | 79.4 | 22% | 0.217 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -67.1 | -38.2 | 178 | -73.6 | -61.2 | 157.5 | 0 | 0 | 112.1 | F20 H21 Q26 I27 I28 | F20-M24 HydrophobicContact CD1-CG 3.98Å; F20-M24 HydrophobicContact CD2-CE 4.32Å; F20-M24 HydrophobicContact CD2-CG 4.5Å; F20-M24 HydrophobicContact CE1-CE 4.2Å; F20-M24 HydrophobicContact CE1-CG 3.49Å; F20-M24 VanDerWaalsContact CE1-CG 3.49Å; F20-M24 HydrophobicContact CE2-CE 3.33Å; F20-M24 HydrophobicContact CE2-CG 4.09Å; F20-M24 HydrophobicContact CG-CG 4.46Å; F20-M24 HydrophobicContact CZ-CE 3.24Å; F20-M24 HydrophobicContact CZ-CG 3.56Å; F20-M24 HydrophobicContact CZ-SD 4.09Å; F20-M24 WeakPolarHBondContact O-CB 3.16Å; F20-M24 PolarHBondContact O-N 2.83Å; H21-M24 PolarHBondContact O-N 2.65Å; M24-Q26 VanDerWaalsContact C-N 3.33Å; M24-Q26 PolarHBondContact O-N 3.16Å; M24-I27 HydrophobicContact CE-CD1 4.17Å; M24-I27 PolarHBondContact O-N 3.01Å; M24-I27 HydrophobicContact SD-CD1 4.03Å; M24-I28 WeakPolarHBondContact O-CB 3.29Å; M24-I28 VanDerWaalsContact O-CG1 3.23Å; M24-I28 WeakPolarHBondContact O-CG1 3.48Å; M24-I28 PolarHBondContact O-N 3.3Å |
| 25 | A | 64.8 | Low | 61.1 | Low | 59 Ų | 59 | 79.9 Ų | 79.9 | 49% | 0.488 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -61.9 | -40.4 | 173 | 0 | 0 | 0 | 0 | 0 | 111.9 | H21 V22 I28 A29 | H21-A25 VanDerWaalsContact O-CB 3.22Å; H21-A25 WeakPolarHBondContact O-CB 3.42Å; H21-A25 PolarHBondContact O-N 3.28Å; V22-A25 PolarHBondContact O-N 3.39Å; A25-I28 PolarHBondContact O-N 3.44Å; A25-A29 VanDerWaalsContact O-CB 3.29Å; A25-A29 WeakPolarHBondContact O-CB 3.45Å; A25-A29 PolarHBondContact O-N 2.84Å |
| 26 | Q | 69.2 | Low | 61.3 | Low | 119 Ų | 119 | 82.5 Ų | 82.5 | 56% | 0.556 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -64.7 | -43.8 | 173.9 | -75.4 | 177 | 11.5 | 0 | 0 | 112 | V22 F23 M24 A29 V30 | V22-Q26 WeakPolarHBondContact O-CB 3.39Å; V22-Q26 VanDerWaalsContact O-CG 3.29Å; V22-Q26 WeakPolarHBondContact O-CG 3.23Å; V22-Q26 PolarHBondContact O-N 2.7Å; F23-Q26 PolarHBondContact O-N 2.85Å; M24-Q26 VanDerWaalsContact C-N 3.33Å; M24-Q26 PolarHBondContact O-N 3.16Å; Q26-A29 PolarHBondContact O-N 3.46Å; Q26-V30 VanDerWaalsContact O-CG2 3.28Å; Q26-V30 WeakPolarHBondContact O-CG2 3.49Å; Q26-V30 PolarHBondContact O-N 3.19Å |
| 27 | I | 71.8 | Confident | 61.3 | Low | 59 Ų | 59 | 84.3 Ų | 84.3 | 30% | 0.303 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -59.9 | -48.8 | 175.9 | -71.7 | 168.9 | 0 | 0 | 0 | 110.6 | F23 M24 A29 V30 I31 | F23-I27 HydrophobicContact CD1-CD1 3.64Å; F23-I27 HydrophobicContact CE1-CD1 3.22Å; F23-I27 HydrophobicContact CE1-CG1 4.35Å; F23-I27 HydrophobicContact CE2-CD1 4.21Å; F23-I27 HydrophobicContact CG-CD1 4.31Å; F23-I27 HydrophobicContact CZ-CD1 3.55Å; F23-I27 HydrophobicContact CZ-CG1 4.36Å; F23-I27 WeakPolarHBondContact O-CG1 3.3Å; F23-I27 PolarHBondContact O-N 3.24Å; M24-I27 HydrophobicContact CE-CD1 4.17Å; M24-I27 PolarHBondContact O-N 3.01Å; M24-I27 HydrophobicContact SD-CD1 4.03Å; I27-A29 VanDerWaalsContact C-N 3.31Å; I27-A29 PolarHBondContact O-N 2.89Å; I27-V30 PolarHBondContact O-N 3.46Å; I27-I31 HydrophobicContact CG2-CD1 3.51Å; I27-I31 HydrophobicContact CG2-CG1 4.22Å; I27-I31 WeakPolarHBondContact O-CB 3.22Å; I27-I31 VanDerWaalsContact O-CG1 3.23Å; I27-I31 WeakPolarHBondContact O-CG1 3.23Å; I27-I31 PolarHBondContact O-N 3.43Å |
| 28 | I | 66.4 | Low | 61 | Low | 93 Ų | 93 | 87.6 Ų | 87.6 | 48% | 0.477 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61.2 | -42.1 | 178.7 | -67 | 164.8 | 0 | 0 | 0 | 110.4 | M24 A25 I31 N32 | M24-I28 WeakPolarHBondContact O-CB 3.29Å; M24-I28 VanDerWaalsContact O-CG1 3.23Å; M24-I28 WeakPolarHBondContact O-CG1 3.48Å; M24-I28 PolarHBondContact O-N 3.3Å; A25-I28 PolarHBondContact O-N 3.44Å; I28-I31 PolarHBondContact O-N 3.43Å; I28-N32 WeakPolarHBondContact O-CB 3.47Å; I28-N32 PolarHBondContact O-N 2.96Å |
| 29 | A | 65.5 | Low | 60.6 | Low | 58 Ų | 58 | 89 Ų | 89 | 48% | 0.479 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.7 | -41.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | A25 Q26 I27 N32 N33 | A25-A29 VanDerWaalsContact O-CB 3.29Å; A25-A29 WeakPolarHBondContact O-CB 3.45Å; A25-A29 PolarHBondContact O-N 2.84Å; Q26-A29 PolarHBondContact O-N 3.46Å; I27-A29 VanDerWaalsContact C-N 3.31Å; I27-A29 PolarHBondContact O-N 2.89Å; A29-N32 PolarHBondContact O-N 3.07Å; A29-N33 WeakPolarHBondContact O-CB 3.01Å; A29-N33 PolarHBondContact O-N 3.21Å |
| 30 | V | 66.2 | Low | 60.2 | Low | 101 Ų | 101 | 88.3 Ų | 88.3 | 61% | 0.612 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.8 | -43.9 | 175.6 | 171.3 | 0 | 0 | 0 | 0 | 111 | Q26 I27 N33 N34 | Q26-V30 VanDerWaalsContact O-CG2 3.28Å; Q26-V30 WeakPolarHBondContact O-CG2 3.49Å; Q26-V30 PolarHBondContact O-N 3.19Å; I27-V30 PolarHBondContact O-N 3.46Å; V30-N33 PolarHBondContact O-N 3.48Å; V30-N34 VanDerWaalsContact O-CB 3.28Å; V30-N34 WeakPolarHBondContact O-CB 3.48Å; V30-N34 PolarHBondContact O-N 3.12Å |
| 31 | I | 64.7 | Low | 59.6 | Low | 90 Ų | 90 | 92.9 Ų | 92.9 | 46% | 0.462 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.6 | -46.5 | 176.5 | -67.7 | 169.2 | 0 | 0 | 0 | 110.3 | I27 I28 N34 K35 | I27-I31 HydrophobicContact CG2-CD1 3.51Å; I27-I31 HydrophobicContact CG2-CG1 4.22Å; I27-I31 WeakPolarHBondContact O-CB 3.22Å; I27-I31 VanDerWaalsContact O-CG1 3.23Å; I27-I31 WeakPolarHBondContact O-CG1 3.23Å; I27-I31 PolarHBondContact O-N 3.43Å; I28-I31 PolarHBondContact O-N 3.43Å; I31-N34 CarbonylContact O-C 3.55Å; I31-N34 PolarHBondContact O-N 2.96Å; I31-K35 HydrophobicContact CG2-CG 4.5Å; I31-K35 WeakPolarHBondContact O-CG 3.4Å; I31-K35 PolarHBondContact O-N 3.25Å |
| 32 | N | 59.6 | Low | 59.1 | Low | 102 Ų | 102 | 98.4 Ų | 98.4 | 55% | 0.545 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -67.6 | -37.9 | 180 | -164.5 | 16.3 | 0 | 0 | 0 | 112.1 | I28 A29 N34 K35 N36 | I28-N32 WeakPolarHBondContact O-CB 3.47Å; I28-N32 PolarHBondContact O-N 2.96Å; A29-N32 PolarHBondContact O-N 3.07Å; N32-N34 VanDerWaalsContact C-N 3.29Å; N32-N34 PolarHBondContact O-N 3.36Å; N32-K35 PolarHBondContact O-N 3.29Å; N32-N36 PolarHBondContact O-N 3.38Å |
| 33 | N | 60.4 | Low | 58.5 | Low | 120 Ų | 120 | 101.4 Ų | 101.4 | 64% | 0.642 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -63.2 | -37.9 | 172.1 | -169.3 | -82.6 | 0 | 0 | 0 | 111.5 | A29 V30 | A29-N33 WeakPolarHBondContact O-CB 3.01Å; A29-N33 PolarHBondContact O-N 3.21Å; V30-N33 PolarHBondContact O-N 3.48Å |
| 34 | N | 54 | Low | 57.7 | Low | 73 Ų | 73 | 100.2 Ų | 100.2 | 39% | 0.39 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -76 | -29 | 177.3 | -159.6 | 12.4 | 0 | 0 | 0 | 113 | V30 I31 N32 N36 K37 M38 | V30-N34 VanDerWaalsContact O-CB 3.28Å; V30-N34 WeakPolarHBondContact O-CB 3.48Å; V30-N34 PolarHBondContact O-N 3.12Å; I31-N34 CarbonylContact O-C 3.55Å; I31-N34 PolarHBondContact O-N 2.96Å; N32-N34 VanDerWaalsContact C-N 3.29Å; N32-N34 PolarHBondContact O-N 3.36Å; N34-N36 VanDerWaalsContact C-N 3.28Å; N34-N36 PolarHBondContact O-N 2.82Å; N34-K37 CarbonylContact O-C 3.59Å; N34-K37 WeakPolarHBondContact O-CA 3.26Å; N34-K37 WeakPolarHBondContact O-CB 2.99Å; N34-K37 PolarHBondContact O-N 3.12Å; N34-M38 PolarHBondContact O-N 3.36Å; N34-M38 VanDerWaalsContact O-N 3.09Å |
| 35 | K | 51.7 | Low | 57 | Low | 71 Ų | 71 | 105.9 Ų | 105.9 | 31% | 0.309 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -60.4 | -35.7 | 172.6 | -81.5 | -177.8 | 166.2 | -144.1 | 0 | 112.6 | I31 N32 K37 M38 A39 D44 | I31-K35 HydrophobicContact CG2-CG 4.5Å; I31-K35 WeakPolarHBondContact O-CG 3.4Å; I31-K35 PolarHBondContact O-N 3.25Å; N32-K35 PolarHBondContact O-N 3.29Å; K35-K37 PolarHBondContact O-N 3.07Å; K35-M38 CarbonylContact O-C 3.31Å; K35-M38 VanDerWaalsContact O-C 3.31Å; K35-M38 PolarHBondContact O-N 2.83Å; K35-A39 PolarHBondContact O-N 3.35Å; K35-D44 WeakPolarHBondContact CE-OD1 3.21Å; K35-D44 IonicContact NZ-OD1 2.65Å; K35-D44 PolarHBondContact NZ-OD1 3.02Å; K35-D44 IonicContact NZ-OD2 2.83Å; K35-D44 PolarHBondContact NZ-OD2 3.49Å |
| 36 | N | 52.1 | Low | 56.3 | Low | 139 Ų | 139 | 113.7 Ų | 113.7 | 74% | 0.743 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | -19.2 | 171.8 | -92.6 | -7.3 | 0 | 0 | 0 | 113.6 | N32 N34 | N32-N36 PolarHBondContact O-N 3.38Å; N34-N36 VanDerWaalsContact C-N 3.28Å; N34-N36 PolarHBondContact O-N 2.82Å |
| 37 | K | 51.4 | Low | 55.4 | Low | 176 Ų | 176 | 113.5 Ų | 113.5 | 77% | 0.765 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | -18.1 | 169.8 | -79.9 | -171.3 | 168.4 | -175.4 | 0 | 113.6 | N34 K35 | N34-K37 CarbonylContact O-C 3.59Å; N34-K37 WeakPolarHBondContact O-CA 3.26Å; N34-K37 WeakPolarHBondContact O-CB 2.99Å; N34-K37 PolarHBondContact O-N 3.12Å; K35-K37 PolarHBondContact O-N 3.07Å |
| 38 | M | 47.2 | Very low | 54.4 | Low | 102 Ų | 102 | 112.1 Ų | 112.1 | 50% | 0.502 | 60% | 0.6 | S | S | . | * | trans | -117.9 | 27 | -178.1 | -60.2 | -163.5 | -172.7 | 0 | 0 | 113 | N34 K35 G40 Q41 | N34-M38 PolarHBondContact O-N 3.36Å; N34-M38 VanDerWaalsContact O-N 3.09Å; K35-M38 CarbonylContact O-C 3.31Å; K35-M38 VanDerWaalsContact O-C 3.31Å; K35-M38 PolarHBondContact O-N 2.83Å; M38-G40 PolarHBondContact O-N 3.45Å; M38-Q41 PolarHBondContact O-N 3.38Å | ||
| 39 | A | 47 | Very low | 53.5 | Low | 93 Ų | 93 | 110.4 Ų | 110.4 | 77% | 0.769 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.2 | 27.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | K35 | K35-A39 PolarHBondContact O-N 3.35Š|
| 40 | G | 48 | Very low | 52.9 | Low | 73 Ų | 73 | 116.1 Ų | 116.1 | 75% | 0.753 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -140 | 9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | M38 | M38-G40 PolarHBondContact O-N 3.45Š|
| 41 | Q | 48.4 | Very low | 52 | Low | 140 Ų | 140 | 117.2 Ų | 117.2 | 65% | 0.654 | 60% | 0.602 | S | S | * | * | trans | -122.9 | 81.2 | 176.4 | -76.8 | -171.3 | -76.7 | 0 | 0 | 111.9 | M38 Q43 | M38-Q41 PolarHBondContact O-N 3.38Å; Q41-Q43 PolarHBondContact O-N 3.1Å | ||
| 42 | D | 51 | Low | 51.4 | Low | 155 Ų | 155 | 118.7 Ų | 118.7 | 83% | 0.829 | 61% | 0.611 | S | S | * | * | 14.1 | 51.2 | 129.5 | -161 | 42.6 | 0 | 0 | 0 | 118.7 | |||||
| 43 | Q | 53.3 | Low | 50.9 | Low | 149 Ų | 149 | 122.6 Ų | 122.6 | 70% | 0.696 | 62% | 0.618 | S | S | * | * | trans | -134.3 | 3.9 | 167.7 | -67.3 | -151.1 | 4.8 | 0 | 0 | 113 | Q41 E45 | Q41-Q43 PolarHBondContact O-N 3.1Å; Q43-E45 PolarHBondContact O-N 3.27Å | ||
| 44 | D | 51.8 | Low | 50.4 | Low | 88 Ų | 88 | 120 Ų | 120 | 47% | 0.471 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -79.3 | -16.2 | -172.6 | -91.6 | 0.1 | 0 | 0 | 0 | 115 | K35 G48 | K35-D44 WeakPolarHBondContact CE-OD1 3.21Å; K35-D44 IonicContact NZ-OD1 2.65Å; K35-D44 PolarHBondContact NZ-OD1 3.02Å; K35-D44 IonicContact NZ-OD2 2.83Å; K35-D44 PolarHBondContact NZ-OD2 3.49Å; D44-G48 PolarHBondContact O-N 3.26Å |
| 45 | E | 52.2 | Low | 50 | Low | 164 Ų | 164 | 118.4 Ų | 118.4 | 77% | 0.766 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -72.8 | -28.8 | 178.1 | -87.8 | -170.6 | 100.8 | 0 | 0 | 113.5 | Q43 S49 | Q43-E45 PolarHBondContact O-N 3.27Å; E45-S49 WeakPolarHBondContact O-CB 3.39Å; E45-S49 PolarHBondContact O-N 3.16Å |
| 46 | R | 50.1 | Low | 49.7 | Very low | 222 Ų | 222 | 121.3 Ų | 121.3 | 84% | 0.838 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -78.4 | -38.8 | -176.2 | -88.2 | -176.4 | 157.9 | -159.2 | -4.8 | 113.3 | W50 | R46-W50 PolarHBondContact O-N 3.15Å |
| 47 | I | 50.9 | Low | 49.5 | Very low | 115 Ų | 115 | 125.8 Ų | 125.8 | 59% | 0.59 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -80.5 | -37.1 | -179 | -63.6 | 163.9 | 0 | 0 | 0 | 109.7 | F51 | I47-F51 PolarHBondContact O-N 3.33Å |
| 48 | G | 49.5 | Very low | 49.2 | Very low | 30 Ų | 30 | 123 Ų | 123 | 31% | 0.309 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -65.5 | -41.4 | 173 | 0 | 0 | 0 | 0 | 0 | 113.1 | D44 W50 F51 L52 | D44-G48 PolarHBondContact O-N 3.26Å; G48-W50 PolarHBondContact O-N 3.42Å; G48-F51 PolarHBondContact O-N 2.91Å; G48-L52 VanDerWaalsContact O-CB 3.26Å; G48-L52 WeakPolarHBondContact O-CB 3.12Å; G48-L52 WeakPolarHBondContact O-CD1 3.5Å; G48-L52 WeakPolarHBondContact O-CG 3.31Å; G48-L52 PolarHBondContact O-N 2.8Å |
| 49 | S | 49.1 | Very low | 48.9 | Very low | 57 Ų | 57 | 119.5 Ų | 119.5 | 40% | 0.399 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -68.2 | -34.4 | -179.6 | -176.1 | 0 | 0 | 0 | 0 | 113.2 | E45 R53 | E45-S49 WeakPolarHBondContact O-CB 3.39Å; E45-S49 PolarHBondContact O-N 3.16Å; S49-R53 WeakPolarHBondContact O-CB 3.42Å; S49-R53 WeakPolarHBondContact O-CG 3.4Å; S49-R53 PolarHBondContact O-N 3.38Å |
| 50 | W | 52.7 | Low | 48.7 | Very low | 178 Ų | 178 | 119.2 Ų | 119.2 | 67% | 0.674 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -68.2 | -43.1 | 174.9 | -170.5 | 81.3 | 0 | 0 | 0 | 111.4 | R46 G48 R53 T54 | R46-W50 PolarHBondContact O-N 3.15Å; G48-W50 PolarHBondContact O-N 3.42Å; W50-R53 PolarHBondContact O-N 3.36Å; W50-T54 PolarHBondContact O-N 2.92Å; W50-T54 PolarHBondContact O-OG1 3.25Å; W50-T54 VanDerWaalsContact O-OG1 3.07Å |
| 51 | F | 47.3 | Very low | 48.6 | Very low | 124 Ų | 124 | 120.6 Ų | 120.6 | 54% | 0.544 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -65.7 | -40.8 | 174.4 | -117.8 | -90.7 | 0 | 0 | 0 | 112.7 | I47 G48 T54 G55 | I47-F51 PolarHBondContact O-N 3.33Å; G48-F51 PolarHBondContact O-N 2.91Å; F51-T54 PolarHBondContact O-N 3.38Å; F51-G55 PolarHBondContact O-N 3.14Å |
| 52 | L | 51.6 | Low | 48.4 | Very low | 121 Ų | 121 | 121.2 Ų | 121.2 | 63% | 0.634 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -65.4 | -39.5 | 176.2 | -77.6 | 162.6 | 0 | 0 | 0 | 111.6 | G48 Q56 | G48-L52 VanDerWaalsContact O-CB 3.26Å; G48-L52 WeakPolarHBondContact O-CB 3.12Å; G48-L52 WeakPolarHBondContact O-CD1 3.5Å; G48-L52 WeakPolarHBondContact O-CG 3.31Å; G48-L52 PolarHBondContact O-N 2.8Å; L52-Q56 WeakPolarHBondContact O-CB 3.37Å; L52-Q56 PolarHBondContact O-N 3.3Å |
| 53 | R | 48.7 | Very low | 47.9 | Very low | 184 Ų | 184 | 124.1 Ų | 124.1 | 69% | 0.694 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -68 | -39.6 | 176.4 | -82.6 | -176.3 | 178.8 | -131.5 | -0 | 112.9 | S49 W50 | S49-R53 WeakPolarHBondContact O-CB 3.42Å; S49-R53 WeakPolarHBondContact O-CG 3.4Å; S49-R53 PolarHBondContact O-N 3.38Å; W50-R53 PolarHBondContact O-N 3.36Å |
| 54 | T | 49.9 | Very low | 47.1 | Very low | 65 Ų | 65 | 128.8 Ų | 128.8 | 40% | 0.399 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -72.9 | -42 | 178.7 | -57.1 | 0 | 0 | 0 | 0 | 110.9 | W50 F51 | W50-T54 PolarHBondContact O-N 2.92Å; W50-T54 PolarHBondContact O-OG1 3.25Å; W50-T54 VanDerWaalsContact O-OG1 3.07Å; F51-T54 PolarHBondContact O-N 3.38Å |
| 55 | G | 46.8 | Very low | 46.3 | Very low | 40 Ų | 40 | 128.1 Ų | 128.1 | 41% | 0.412 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -71 | -27.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | F51 I58 G59 | F51-G55 PolarHBondContact O-N 3.14Å; G55-I58 PolarHBondContact O-N 3.46Å; G55-G59 PolarHBondContact O-N 3.07Å |
| 56 | Q | 45.2 | Very low | 45.8 | Very low | 132 Ų | 132 | 124.2 Ų | 124.2 | 62% | 0.617 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -76.7 | -22.2 | -178 | -170.7 | 171.2 | 32 | 0 | 0 | 113.6 | L52 | L52-Q56 WeakPolarHBondContact O-CB 3.37Å; L52-Q56 PolarHBondContact O-N 3.3Å |
| 57 | R | 46.4 | Very low | 45.3 | Very low | 234 Ų | 234 | 123.3 Ų | 123.3 | 88% | 0.883 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -77.8 | -23.8 | 171.7 | -62.8 | -172.2 | 99.3 | 176.3 | 5.6 | 112.6 | ||
| 58 | I | 47 | Very low | 44.9 | Very low | 116 Ų | 116 | 124.9 Ų | 124.9 | 60% | 0.595 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -91.6 | -37.3 | 178.7 | -55.5 | 175.6 | 0 | 0 | 0 | 110.2 | G55 A60 | G55-I58 PolarHBondContact O-N 3.46Å; I58-A60 PolarHBondContact O-N 3.41Å |
| 59 | G | 39.5 | Very low | 44.6 | Very low | 29 Ų | 29 | 131 Ų | 131 | 30% | 0.299 | 66% | 0.656 | S | S | . | * | G | 310 helix | trans | -84.1 | -0.4 | -175 | 0 | 0 | 0 | 0 | 0 | 117 | G55 A61 Q62 | G55-G59 PolarHBondContact O-N 3.07Å; G59-A61 PolarHBondContact O-N 3.06Å; G59-Q62 PolarHBondContact O-N 2.9Å |
| 60 | A | 44.2 | Very low | 44.7 | Very low | 88 Ų | 88 | 136.1 Ų | 136.1 | 73% | 0.727 | 68% | 0.678 | S | S | * | * | G | 310 helix | trans | -71.4 | -14.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | I58 | I58-A60 PolarHBondContact O-N 3.41Š|
| 61 | A | 45 | Very low | 44.5 | Very low | 101 Ų | 101 | 138.4 Ų | 138.4 | 84% | 0.835 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -89 | -8.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114 | G59 | G59-A61 PolarHBondContact O-N 3.06Š|
| 62 | Q | 43.6 | Very low | 44.5 | Very low | 154 Ų | 154 | 138 Ų | 138 | 72% | 0.72 | 69% | 0.69 | S | S | * | * | trans | -138 | 49.1 | -162.5 | -159.8 | 170.9 | -5.7 | 0 | 0 | 112.2 | G59 | G59-Q62 PolarHBondContact O-N 2.9Š| ||
| 63 | R | 40.1 | Very low | 44.4 | Very low | 215 Ų | 215 | 137.9 Ų | 137.9 | 81% | 0.811 | 69% | 0.694 | S | S | * | * | trans | -111.1 | 61.8 | 177.3 | -84.2 | -162.1 | 179.3 | -153.4 | 0.5 | 113.3 | ||||
| 64 | R | 37.4 | Very low | 44.5 | Very low | 248 Ų | 248 | 134 Ų | 134 | 94% | 0.936 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -130.9 | 97.2 | 158.5 | -83.4 | -169.9 | 179.5 | 173.8 | 1.3 | 110.2 | ||
| 65 | G | 34.3 | Very low | 44.4 | Very low | 73 Ų | 73 | 133.3 Ų | 133.3 | 75% | 0.753 | 69% | 0.688 | S | S | * | * | trans | 80.1 | 93.4 | 149.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 66 | L | 43 | Very low | 44.5 | Very low | 83 Ų | 83 | 137.3 Ų | 137.3 | 44% | 0.435 | 70% | 0.7 | S | S | . | * | trans | -143.5 | 98.5 | 153.2 | -130.9 | 108.1 | 0 | 0 | 0 | 106.9 | E69 | L66-E69 HydrophobicContact CB-CG 3.57Å; L66-E69 HydrophobicContact CD2-CB 4.38Å; L66-E69 HydrophobicContact CD2-CG 3.84Å; L66-E69 HydrophobicContact CG-CG 4.34Å; L66-E69 VanDerWaalsContact O-CG 3.3Å; L66-E69 WeakPolarHBondContact O-CG 2.98Å | ||
| 67 | K | 38.6 | Very low | 44.7 | Very low | 203 Ų | 203 | 133.6 Ų | 133.6 | 88% | 0.883 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -75.8 | 132.7 | 147.7 | -81.6 | 173.7 | 166.3 | 177.9 | 0 | 103.9 | ||
| 68 | D | 43.5 | Very low | 44.9 | Very low | 148 Ų | 148 | 124.9 Ų | 124.9 | 79% | 0.791 | 66% | 0.663 | S | S | * | * | S | Bend | trans | 86.8 | 41.3 | -173.8 | -56.7 | -22.6 | 0 | 0 | 0 | 116.8 | L70 | D68-L70 VanDerWaalsContact C-N 3.33Å; D68-L70 PolarHBondContact O-N 3.28Å |
| 69 | E | 43.2 | Very low | 44.9 | Very low | 158 Ų | 158 | 120.4 Ų | 120.4 | 74% | 0.738 | 64% | 0.642 | S | S | * | * | trans | -67.7 | 58.5 | 178.9 | -74.3 | 179.6 | 110.2 | 0 | 0 | 116.3 | L66 | L66-E69 HydrophobicContact CB-CG 3.57Å; L66-E69 HydrophobicContact CD2-CB 4.38Å; L66-E69 HydrophobicContact CD2-CG 3.84Å; L66-E69 HydrophobicContact CG-CG 4.34Å; L66-E69 VanDerWaalsContact O-CG 3.3Å; L66-E69 WeakPolarHBondContact O-CG 2.98Å | ||
| 70 | L | 51.6 | Low | 45.3 | Very low | 165 Ų | 165 | 123.9 Ų | 123.9 | 86% | 0.864 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -134.5 | 12.8 | 171.6 | -105.8 | 147.8 | 0 | 0 | 0 | 114.8 | D68 | D68-L70 VanDerWaalsContact C-N 3.33Å; D68-L70 PolarHBondContact O-N 3.28Å |
| 71 | R | 47.4 | Very low | 45.5 | Very low | 225 Ų | 225 | 126 Ų | 126 | 85% | 0.849 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -114 | -7.5 | -176 | -59.8 | -168.8 | 84.4 | -174.9 | 4.3 | 116.3 | ||
| 72 | D | 47.2 | Very low | 45.7 | Very low | 115 Ų | 115 | 125.8 Ų | 125.8 | 62% | 0.615 | 63% | 0.632 | S | S | * | * | trans | -127 | 50.9 | -172.7 | -55.3 | -40 | 0 | 0 | 0 | 112.2 | D74 | D72-D74 VanDerWaalsContact C-N 3.32Å; D72-D74 PolarHBondContact O-N 2.82Å; D72-D74 VanDerWaalsContact O-N 3.16Å | ||
| 73 | V | 49.9 | Very low | 45.9 | Very low | 120 Ų | 120 | 122 Ų | 122 | 73% | 0.727 | 62% | 0.622 | S | S | * | * | trans | -78.6 | 94.2 | 160.4 | -179.3 | 0 | 0 | 0 | 0 | 106 | A75 | V73-A75 PolarHBondContact O-N 2.88Š| ||
| 74 | D | 50.4 | Low | 46.2 | Very low | 101 Ų | 101 | 115 Ų | 115 | 54% | 0.54 | 61% | 0.606 | S | S | . | * | trans | -53.1 | 101.1 | 170.8 | -76.5 | -41.7 | 0 | 0 | 0 | 108.7 | D72 D76 A77 | D72-D74 VanDerWaalsContact C-N 3.32Å; D72-D74 PolarHBondContact O-N 2.82Å; D72-D74 VanDerWaalsContact O-N 3.16Å; D74-D76 PolarHBondContact O-N 3.22Å; D74-A77 PolarHBondContact O-N 3.4Å; D74-A77 VanDerWaalsContact O-N 3.12Å | ||
| 75 | A | 49.3 | Very low | 46.9 | Very low | 51 Ų | 51 | 107.8 Ų | 107.8 | 42% | 0.421 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -53.3 | -27.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111 | H21 V73 A77 I78 | H21-A75 PolarHBondContact CE1-O 3.34Å; V73-A75 PolarHBondContact O-N 2.88Å; A75-A77 VanDerWaalsContact C-N 3.34Å; A75-A77 PolarHBondContact O-N 3.46Å; A75-I78 PolarHBondContact O-N 3.35Å |
| 76 | D | 48.5 | Very low | 47.5 | Very low | 124 Ų | 124 | 109.2 Ų | 109.2 | 66% | 0.663 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -62.9 | -31.7 | 179.8 | -68.7 | -15 | 0 | 0 | 0 | 113.8 | D74 I78 S79 | D74-D76 PolarHBondContact O-N 3.22Å; D76-I78 VanDerWaalsContact C-N 3.35Å; D76-I78 PolarHBondContact O-N 3.11Å; D76-S79 WeakPolarHBondContact O-CB 3.34Å; D76-S79 PolarHBondContact O-N 3.25Å |
| 77 | A | 49.8 | Very low | 47.9 | Very low | 55 Ų | 55 | 112.4 Ų | 112.4 | 46% | 0.455 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -76.8 | -21.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | D74 A75 S79 T80 | D74-A77 PolarHBondContact O-N 3.4Å; D74-A77 VanDerWaalsContact O-N 3.12Å; A75-A77 VanDerWaalsContact C-N 3.34Å; A75-A77 PolarHBondContact O-N 3.46Å; A77-S79 VanDerWaalsContact C-N 3.34Å; A77-T80 PolarHBondContact O-OG1 3.04Å |
| 78 | I | 49.2 | Very low | 48.3 | Very low | 50 Ų | 50 | 111.6 Ų | 111.6 | 26% | 0.256 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -80.8 | -22.6 | 173.6 | -62.3 | 173.1 | 0 | 0 | 0 | 110.3 | A75 D76 | A75-I78 PolarHBondContact O-N 3.35Å; D76-I78 VanDerWaalsContact C-N 3.35Å; D76-I78 PolarHBondContact O-N 3.11Å |
| 79 | S | 46.7 | Very low | 48.3 | Very low | 23 Ų | 23 | 114.5 Ų | 114.5 | 16% | 0.161 | 60% | 0.604 | C | S | . | * | H | α-helix | trans | -73.5 | -31.4 | -176.4 | -164.5 | 0 | 0 | 0 | 0 | 113.5 | C17 D76 A77 E81 | C17-S79 PolarHBondContact SG-OG 3.26Å; D76-S79 WeakPolarHBondContact O-CB 3.34Å; D76-S79 PolarHBondContact O-N 3.25Å; A77-S79 VanDerWaalsContact C-N 3.34Å; S79-E81 VanDerWaalsContact C-N 3.29Å; S79-E81 PolarHBondContact O-N 3.37Å |
| 80 | T | 48.2 | Very low | 48.6 | Very low | 101 Ų | 101 | 112.4 Ų | 112.4 | 62% | 0.62 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -68.3 | -22.7 | -173.9 | 20 | 0 | 0 | 0 | 0 | 114.7 | A77 | A77-T80 PolarHBondContact O-OG1 3.04Å |
| 81 | E | 48.9 | Very low | 48.4 | Very low | 133 Ų | 133 | 109.6 Ų | 109.6 | 62% | 0.621 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -94.2 | -19.3 | -173.9 | -59.6 | -75.7 | 156.1 | 0 | 0 | 112.8 | S79 S84 | S79-E81 VanDerWaalsContact C-N 3.29Å; S79-E81 PolarHBondContact O-N 3.37Å; E81-S84 PolarHBondContact O-OG 3.36Å |
| 82 | F | 50 | Low | 48.5 | Very low | 96 Ų | 96 | 103.2 Ų | 103.2 | 42% | 0.421 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -100.6 | -19.4 | -179.2 | -76.2 | -85.2 | 0 | 0 | 0 | 114.5 | F20 S84 I85 | F20-F82 HydrophobicContact CD1-CB 4.37Å; F20-F82 HydrophobicContact CD1-CG 4.5Å; F20-F82 HydrophobicContact CE1-CB 3.73Å; F20-F82 HydrophobicContact CE1-CD1 4.01Å; F20-F82 AromaticContact CE1-CD2 3.47Å; F20-F82 HydrophobicContact CE1-CD2 3.47Å; F20-F82 VanDerWaalsContact CE1-CD2 3.47Å; F20-F82 HydrophobicContact CE1-CE2 4.03Å; F20-F82 AromaticContact CE1-CG 3.45Å; F20-F82 HydrophobicContact CE1-CG 3.45Å; F20-F82 VanDerWaalsContact CE1-CG 3.45Å; F20-F82 HydrophobicContact CE2-CD1 4.03Å; F20-F82 HydrophobicContact CE2-CE1 4.42Å; F20-F82 HydrophobicContact CE2-CG 4.26Å; F20-F82 HydrophobicContact CZ-CB 3.87Å; F20-F82 AromaticContact CZ-CD1 3.33Å; F20-F82 HydrophobicContact CZ-CD1 3.33Å; F20-F82 AromaticContact CZ-CD2 3.59Å; F20-F82 HydrophobicContact CZ-CD2 3.59Å; F20-F82 AromaticContact CZ-CE1 3.66Å; F20-F82 HydrophobicContact CZ-CE1 3.66Å; F20-F82 AromaticContact CZ-CE2 3.89Å; F20-F82 HydrophobicContact CZ-CE2 3.89Å; F20-F82 AromaticContact CZ-CG 3.29Å; F20-F82 HydrophobicContact CZ-CG 3.29Å; F20-F82 AromaticContact CZ-CZ 3.93Å; F20-F82 HydrophobicContact CZ-CZ 3.93Å; F82-S84 PolarHBondContact O-N 3.48Å; F82-I85 HydrophobicContact CD1-CD1 3.81Å; F82-I85 HydrophobicContact CE1-CD1 4.08Å; F82-I85 PolarHBondContact O-N 3.3Å |
| 83 | C | 45.8 | Very low | 48.6 | Very low | 75 Ų | 75 | 102.5 Ų | 102.5 | 51% | 0.507 | 57% | 0.566 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.2 | -19.5 | 166.7 | -72.6 | 0 | 0 | 0 | 0 | 112.7 | ||
| 84 | S | 47.1 | Very low | 48.5 | Very low | 68 Ų | 68 | 101.4 Ų | 101.4 | 48% | 0.476 | 56% | 0.556 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.4 | -11.2 | -179.4 | 76.9 | 0 | 0 | 0 | 0 | 115 | E81 F82 | E81-S84 PolarHBondContact O-OG 3.36Å; F82-S84 PolarHBondContact O-N 3.48Å |
| 85 | I | 53.4 | Low | 48.3 | Very low | 97 Ų | 97 | 101.4 Ų | 101.4 | 50% | 0.497 | 56% | 0.557 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.3 | -23.6 | -173 | -64.9 | 174.4 | 0 | 0 | 0 | 111.9 | F82 | F82-I85 HydrophobicContact CD1-CD1 3.81Å; F82-I85 HydrophobicContact CE1-CD1 4.08Å; F82-I85 PolarHBondContact O-N 3.3Å |
| 86 | N | 46.5 | Very low | 48.3 | Very low | 102 Ų | 102 | 105 Ų | 105 | 55% | 0.545 | 57% | 0.567 | S | S | . | * | G | 310 helix | trans | -85.6 | -6.6 | 177.1 | -103.7 | 0.5 | 0 | 0 | 0 | 114.5 | K88 | N86-K88 PolarHBondContact O-N 3.44Š|
| 87 | D | 50.2 | Low | 48.3 | Very low | 150 Ų | 150 | 103.5 Ų | 103.5 | 80% | 0.802 | 56% | 0.559 | S | S | * | * | G | 310 helix | trans | -79.4 | 6.2 | 173.4 | -104.9 | -18.6 | 0 | 0 | 0 | 113.2 | ||
| 88 | K | 48.4 | Very low | 48.1 | Very low | 187 Ų | 187 | 107.6 Ų | 107.6 | 81% | 0.813 | 57% | 0.568 | S | S | * | * | G | 310 helix | trans | -133.5 | 12.5 | -174.2 | -72.4 | -172.3 | 178.2 | 179.3 | 0 | 115.8 | N86 | N86-K88 PolarHBondContact O-N 3.44Š|
| 89 | L | 43.2 | Very low | 48 | Very low | 209 Ų | 209 | 112.8 Ų | 112.8 | 100% | 1.094 | 60% | 0.596 | S | S | * | * | trans | -112.2 | 0 | 171.6 | -86.7 | 160 | 0 | 0 | 0 | 110.3 |
Retrieved 89 of 89 residues in 96.4 ms
(Link to these results)