| 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 | 57.5 | Low | 69.6 | Low | 195 Ų | 195 | 128.8 Ų | 128.8 | 96% | 0.961 | 61% | 0.608 | S | S | * | * | 0 | 116.3 | 0 | -144.8 | 163.5 | 167.6 | 0 | 0 | 108.2 | |||||
| 2 | K | 58.4 | Low | 70.7 | Confident | 168 Ų | 168 | 133 Ų | 133 | 73% | 0.73 | 61% | 0.614 | S | S | * | * | trans | -71 | 137.8 | -172.9 | -78.1 | 179 | 176.8 | 175.5 | 0 | 109.5 | K4 D5 | K2-K4 PolarHBondContact O-N 2.91Å; K2-D5 PolarHBondContact O-N 3.06Å | ||
| 3 | K | 66.6 | Low | 72 | Confident | 156 Ų | 156 | 130.2 Ų | 130.2 | 68% | 0.678 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -49.3 | -37.5 | -176.2 | -163.6 | 175.7 | -179.5 | -179.5 | 0 | 112.7 | D5 R6 D7 | K3-D5 VanDerWaalsContact C-N 3.31Å; K3-D5 PolarHBondContact O-N 3.48Å; K3-R6 PolarHBondContact O-N 3.29Å; K3-R6 VanDerWaalsContact O-N 3.12Å; K3-D7 PolarHBondContact O-N 3.4Å |
| 4 | K | 66.3 | Low | 73.3 | Confident | 176 Ų | 176 | 125.4 Ų | 125.4 | 77% | 0.765 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -60.4 | -30.5 | 177.3 | -154.9 | 176 | -175.6 | -179.4 | 0 | 114.7 | K2 S8 | K2-K4 PolarHBondContact O-N 2.91Å; K4-S8 PolarHBondContact O-N 2.98Å |
| 5 | D | 68.6 | Low | 74.3 | Confident | 83 Ų | 83 | 124.8 Ų | 124.8 | 44% | 0.444 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -77.8 | -27.8 | 177.3 | -63.1 | -36 | 0 | 0 | 0 | 112 | K2 K3 S8 V9 | K2-D5 PolarHBondContact O-N 3.06Å; K3-D5 VanDerWaalsContact C-N 3.31Å; K3-D5 PolarHBondContact O-N 3.48Å; D5-S8 PolarHBondContact O-OG 3.12Å; D5-S8 VanDerWaalsContact O-OG 3.05Å; D5-V9 VanDerWaalsContact O-CG2 3.27Å; D5-V9 WeakPolarHBondContact O-CG2 3.36Å; D5-V9 PolarHBondContact O-N 3.05Å |
| 6 | R | 67.7 | Low | 75.4 | Confident | 153 Ų | 153 | 122.9 Ų | 122.9 | 58% | 0.577 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -72.4 | -39.8 | 176.1 | -72.5 | -167.1 | -71 | -159.5 | -3.1 | 111.6 | K3 S8 V9 F10 | K3-R6 PolarHBondContact O-N 3.29Å; K3-R6 VanDerWaalsContact O-N 3.12Å; R6-S8 VanDerWaalsContact C-N 3.34Å; R6-V9 PolarHBondContact O-N 3.33Å; R6-F10 WeakPolarHBondContact O-CB 3.27Å; R6-F10 PolarHBondContact O-N 3.31Å |
| 7 | D | 73.1 | Confident | 76.4 | Confident | 94 Ų | 94 | 123.6 Ų | 123.6 | 50% | 0.503 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -67.8 | -35.8 | 180 | -59.1 | -28.5 | 0 | 0 | 0 | 111.4 | K3 F10 H11 | K3-D7 PolarHBondContact O-N 3.4Å; D7-F10 PolarHBondContact O-N 3.01Å; D7-H11 PolarHBondContact O-N 3.24Å |
| 8 | S | 73.4 | Confident | 77.3 | Confident | 59 Ų | 59 | 121.3 Ų | 121.3 | 41% | 0.413 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -70.8 | -39.1 | 177.4 | 70.1 | 0 | 0 | 0 | 0 | 113.1 | K4 D5 R6 R12 | K4-S8 PolarHBondContact O-N 2.98Å; D5-S8 PolarHBondContact O-OG 3.12Å; D5-S8 VanDerWaalsContact O-OG 3.05Å; R6-S8 VanDerWaalsContact C-N 3.34Å; S8-R12 PolarHBondContact O-N 2.98Å; S8-R12 VanDerWaalsContact O-N 3.13Å |
| 9 | V | 76.2 | Confident | 78.1 | Confident | 77 Ų | 77 | 118.8 Ų | 118.8 | 47% | 0.467 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -66.4 | -40.5 | 173.9 | 173.8 | 0 | 0 | 0 | 0 | 110.5 | D5 R6 R12 N13 | D5-V9 VanDerWaalsContact O-CG2 3.27Å; D5-V9 WeakPolarHBondContact O-CG2 3.36Å; D5-V9 PolarHBondContact O-N 3.05Å; R6-V9 PolarHBondContact O-N 3.33Å; V9-R12 PolarHBondContact O-N 3.24Å; V9-N13 VanDerWaalsContact O-CG 3.32Å; V9-N13 PolarHBondContact O-N 3.01Å |
| 10 | F | 77.7 | Confident | 78.9 | Confident | 134 Ų | 134 | 117.7 Ų | 117.7 | 59% | 0.588 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -63.5 | -44.5 | 177.2 | -172.8 | -106.7 | 0 | 0 | 0 | 112.1 | R6 D7 R12 N13 I14 | R6-F10 WeakPolarHBondContact O-CB 3.27Å; R6-F10 PolarHBondContact O-N 3.31Å; D7-F10 PolarHBondContact O-N 3.01Å; F10-R12 PolarHBondContact O-N 3.43Å; F10-N13 PolarHBondContact O-N 3.48Å; F10-I14 HydrophobicContact CD1-CD1 3.68Å; F10-I14 HydrophobicContact CE1-CD1 3.21Å; F10-I14 HydrophobicContact CE1-CG1 4.25Å; F10-I14 HydrophobicContact CE2-CD1 4.42Å; F10-I14 HydrophobicContact CG-CD1 4.46Å; F10-I14 HydrophobicContact CZ-CD1 3.64Å; F10-I14 HydrophobicContact CZ-CG1 4.35Å; F10-I14 WeakPolarHBondContact O-CG1 3.4Å; F10-I14 PolarHBondContact O-N 3.47Å |
| 11 | H | 79.9 | Confident | 79.6 | Confident | 122 Ų | 122 | 116.7 Ų | 116.7 | 57% | 0.565 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -60.2 | -45 | 176.1 | -113.7 | -75.3 | 0 | 0 | 0 | 112.5 | D7 N13 I14 E15 | D7-H11 PolarHBondContact O-N 3.24Å; H11-N13 VanDerWaalsContact C-N 3.34Å; H11-N13 PolarHBondContact O-N 3.42Å; H11-I14 PolarHBondContact O-N 2.98Å; H11-E15 WeakPolarHBondContact O-CG 3.33Å; H11-E15 PolarHBondContact O-N 3.43Å |
| 12 | R | 83.3 | Confident | 81.3 | Confident | 179 Ų | 179 | 111.7 Ų | 111.7 | 68% | 0.675 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -60.8 | -41.9 | 175.3 | -81.5 | -175.2 | -168.9 | 176.5 | 4.3 | 112.4 | S8 V9 F10 I14 E15 I16 | S8-R12 PolarHBondContact O-N 2.98Å; S8-R12 VanDerWaalsContact O-N 3.13Å; V9-R12 PolarHBondContact O-N 3.24Å; F10-R12 PolarHBondContact O-N 3.43Å; R12-I14 VanDerWaalsContact C-N 3.3Å; R12-I14 PolarHBondContact O-N 3.48Å; R12-E15 PolarHBondContact O-N 3.43Å; R12-I16 VanDerWaalsContact O-CG1 3.25Å; R12-I16 WeakPolarHBondContact O-CG1 3.25Å; R12-I16 PolarHBondContact O-N 2.92Å |
| 13 | N | 88 | Confident | 82.9 | Confident | 96 Ų | 96 | 108.2 Ų | 108.2 | 51% | 0.513 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.3 | -37.2 | 178.6 | -73.7 | -8.9 | 0 | 0 | 0 | 111.8 | V9 F10 H11 F17 | V9-N13 VanDerWaalsContact O-CG 3.32Å; V9-N13 PolarHBondContact O-N 3.01Å; F10-N13 PolarHBondContact O-N 3.48Å; H11-N13 VanDerWaalsContact C-N 3.34Å; H11-N13 PolarHBondContact O-N 3.42Å; N13-F17 WeakPolarHBondContact O-CB 3.49Å; N13-F17 PolarHBondContact O-N 3.13Å |
| 14 | I | 89.5 | Confident | 84 | Confident | 64 Ų | 64 | 104 Ų | 104 | 33% | 0.328 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.7 | -45.9 | 173.9 | -71.7 | 174 | 0 | 0 | 0 | 111 | F10 H11 R12 I16 F17 I18 | F10-I14 HydrophobicContact CD1-CD1 3.68Å; F10-I14 HydrophobicContact CE1-CD1 3.21Å; F10-I14 HydrophobicContact CE1-CG1 4.25Å; F10-I14 HydrophobicContact CE2-CD1 4.42Å; F10-I14 HydrophobicContact CG-CD1 4.46Å; F10-I14 HydrophobicContact CZ-CD1 3.64Å; F10-I14 HydrophobicContact CZ-CG1 4.35Å; F10-I14 WeakPolarHBondContact O-CG1 3.4Å; F10-I14 PolarHBondContact O-N 3.47Å; H11-I14 PolarHBondContact O-N 2.98Å; R12-I14 VanDerWaalsContact C-N 3.3Å; R12-I14 PolarHBondContact O-N 3.48Å; I14-I16 VanDerWaalsContact C-N 3.31Å; I14-I16 PolarHBondContact O-N 2.87Å; I14-F17 PolarHBondContact O-N 3.29Å; I14-F17 VanDerWaalsContact O-N 3.15Å; I14-I18 HydrophobicContact CG2-CD1 3.63Å; I14-I18 HydrophobicContact CG2-CG1 4.23Å; I14-I18 WeakPolarHBondContact O-CG1 3.48Å; I14-I18 PolarHBondContact O-N 2.92Å |
| 15 | E | 89 | Confident | 85.1 | Confident | 116 Ų | 116 | 99.6 Ų | 99.6 | 54% | 0.542 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.7 | -43 | 178.2 | -75.1 | 176.7 | 177.1 | 0 | 0 | 111.7 | H11 R12 I18 T19 | H11-E15 WeakPolarHBondContact O-CG 3.33Å; H11-E15 PolarHBondContact O-N 3.43Å; R12-E15 PolarHBondContact O-N 3.43Å; E15-I18 PolarHBondContact O-N 3.29Å; E15-T19 WeakPolarHBondContact O-CB 3.44Å; E15-T19 PolarHBondContact O-N 3.34Å; E15-T19 PolarHBondContact O-OG1 3.47Å |
| 16 | I | 91.7 | Very high | 86.1 | Confident | 94 Ų | 94 | 100.5 Ų | 100.5 | 48% | 0.482 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.2 | -46.2 | 175 | -68.1 | 165.1 | 0 | 0 | 0 | 110.1 | R12 I14 I18 T19 I20 | R12-I16 VanDerWaalsContact O-CG1 3.25Å; R12-I16 WeakPolarHBondContact O-CG1 3.25Å; R12-I16 PolarHBondContact O-N 2.92Å; I14-I16 VanDerWaalsContact C-N 3.31Å; I14-I16 PolarHBondContact O-N 2.87Å; I16-I18 PolarHBondContact O-N 2.96Å; I16-T19 PolarHBondContact O-N 3.15Å; I16-I20 HydrophobicContact CG2-CD1 3.74Å; I16-I20 HydrophobicContact CG2-CG1 4.42Å; I16-I20 VanDerWaalsContact O-CG1 3.28Å; I16-I20 WeakPolarHBondContact O-CG1 3.3Å; I16-I20 PolarHBondContact O-N 2.92Å |
| 17 | F | 92.5 | Very high | 87 | Confident | 135 Ų | 135 | 98.1 Ų | 98.1 | 59% | 0.592 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.5 | -45.6 | 179.4 | -177.2 | -97.6 | 0 | 0 | 0 | 112.3 | N13 I14 T19 I20 L21 | N13-F17 WeakPolarHBondContact O-CB 3.49Å; N13-F17 PolarHBondContact O-N 3.13Å; I14-F17 PolarHBondContact O-N 3.29Å; I14-F17 VanDerWaalsContact O-N 3.15Å; F17-T19 VanDerWaalsContact C-N 3.33Å; F17-T19 PolarHBondContact O-N 3.41Å; F17-I20 PolarHBondContact O-N 2.95Å; F17-L21 WeakPolarHBondContact O-CB 3.28Å; F17-L21 PolarHBondContact O-N 2.73Å |
| 18 | I | 92.7 | Very high | 87.5 | Confident | 82 Ų | 82 | 100.3 Ų | 100.3 | 42% | 0.421 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.8 | -44 | 177.1 | -68.4 | 170.7 | 0 | 0 | 0 | 110.3 | I14 E15 I16 I20 L21 I22 | I14-I18 HydrophobicContact CG2-CD1 3.63Å; I14-I18 HydrophobicContact CG2-CG1 4.23Å; I14-I18 WeakPolarHBondContact O-CG1 3.48Å; I14-I18 PolarHBondContact O-N 2.92Å; E15-I18 PolarHBondContact O-N 3.29Å; I16-I18 PolarHBondContact O-N 2.96Å; I18-I20 PolarHBondContact O-N 3.01Å; I18-L21 WeakPolarHBondContact O-CB 3.37Å; I18-L21 PolarHBondContact O-N 3.47Å; I18-I22 HydrophobicContact CG2-CD1 3.76Å; I18-I22 HydrophobicContact CG2-CG1 4.39Å; I18-I22 WeakPolarHBondContact O-CG1 3.36Å; I18-I22 PolarHBondContact O-N 2.92Å |
| 19 | T | 93 | Very high | 87.9 | Confident | 75 Ų | 75 | 100.1 Ų | 100.1 | 46% | 0.46 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.5 | -43.4 | 179.1 | -55.1 | 0 | 0 | 0 | 0 | 111.3 | E15 I16 F17 L21 I22 N23 | E15-T19 WeakPolarHBondContact O-CB 3.44Å; E15-T19 PolarHBondContact O-N 3.34Å; E15-T19 PolarHBondContact O-OG1 3.47Å; I16-T19 PolarHBondContact O-N 3.15Å; F17-T19 VanDerWaalsContact C-N 3.33Å; F17-T19 PolarHBondContact O-N 3.41Å; T19-L21 VanDerWaalsContact C-N 3.35Å; T19-L21 PolarHBondContact O-N 3.27Å; T19-I22 PolarHBondContact O-N 3.37Å; T19-N23 WeakPolarHBondContact O-CB 3.49Å; T19-N23 VanDerWaalsContact O-CG 3.31Å; T19-N23 PolarHBondContact O-N 3.27Å; T19-N23 PolarHBondContact O-ND2 3.15Å |
| 20 | I | 93.7 | Very high | 88.3 | Confident | 96 Ų | 96 | 103 Ų | 103 | 49% | 0.492 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.7 | -45.9 | 174.5 | -69.1 | 167.4 | 0 | 0 | 0 | 110.3 | I16 F17 I18 I22 N23 V24 | I16-I20 HydrophobicContact CG2-CD1 3.74Å; I16-I20 HydrophobicContact CG2-CG1 4.42Å; I16-I20 VanDerWaalsContact O-CG1 3.28Å; I16-I20 WeakPolarHBondContact O-CG1 3.3Å; I16-I20 PolarHBondContact O-N 2.92Å; F17-I20 PolarHBondContact O-N 2.95Å; I18-I20 PolarHBondContact O-N 3.01Å; I20-I22 PolarHBondContact O-N 3.5Å; I20-N23 PolarHBondContact O-N 3.02Å; I20-V24 HydrophobicContact CG2-CG2 4.36Å; I20-V24 VanDerWaalsContact O-CG2 3.3Å; I20-V24 WeakPolarHBondContact O-CG2 3.48Å; I20-V24 PolarHBondContact O-N 3.44Å |
| 21 | L | 93.9 | Very high | 88.4 | Confident | 97 Ų | 97 | 101.4 Ų | 101.4 | 51% | 0.508 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.7 | -45.5 | -179.6 | -166.3 | 77.9 | 0 | 0 | 0 | 111.7 | F17 I18 T19 N23 V24 V25 | F17-L21 WeakPolarHBondContact O-CB 3.28Å; F17-L21 PolarHBondContact O-N 2.73Å; I18-L21 WeakPolarHBondContact O-CB 3.37Å; I18-L21 PolarHBondContact O-N 3.47Å; T19-L21 VanDerWaalsContact C-N 3.35Å; T19-L21 PolarHBondContact O-N 3.27Å; L21-N23 PolarHBondContact O-N 3.45Å; L21-V24 PolarHBondContact O-N 2.92Å; L21-V25 WeakPolarHBondContact O-CG2 3.32Å; L21-V25 PolarHBondContact O-N 3.47Å |
| 22 | I | 93.5 | Very high | 88.3 | Confident | 90 Ų | 90 | 101 Ų | 101 | 46% | 0.462 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.9 | -47.6 | 176.8 | -69.7 | 168.5 | 0 | 0 | 0 | 110.3 | I18 T19 I20 V24 V25 I26 | I18-I22 HydrophobicContact CG2-CD1 3.76Å; I18-I22 HydrophobicContact CG2-CG1 4.39Å; I18-I22 WeakPolarHBondContact O-CG1 3.36Å; I18-I22 PolarHBondContact O-N 2.92Å; T19-I22 PolarHBondContact O-N 3.37Å; I20-I22 PolarHBondContact O-N 3.5Å; I22-V24 VanDerWaalsContact C-N 3.31Å; I22-V24 PolarHBondContact O-N 3.5Å; I22-V25 PolarHBondContact O-N 3.31Å; I22-V25 VanDerWaalsContact O-N 3.15Å; I22-I26 HydrophobicContact CG2-CD1 3.7Å; I22-I26 HydrophobicContact CG2-CG1 4.37Å; I22-I26 WeakPolarHBondContact O-CG1 3.36Å; I22-I26 PolarHBondContact O-N 3.48Å |
| 23 | N | 90.4 | Very high | 88 | Confident | 94 Ų | 94 | 97.6 Ų | 97.6 | 50% | 0.503 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.7 | -38.3 | 178.7 | -73.1 | -23.8 | 0 | 0 | 0 | 112.3 | T19 I20 L21 I26 L27 | T19-N23 WeakPolarHBondContact O-CB 3.49Å; T19-N23 VanDerWaalsContact O-CG 3.31Å; T19-N23 PolarHBondContact O-N 3.27Å; T19-N23 PolarHBondContact O-ND2 3.15Å; I20-N23 PolarHBondContact O-N 3.02Å; L21-N23 PolarHBondContact O-N 3.45Å; N23-I26 PolarHBondContact O-N 3.42Å; N23-L27 VanDerWaalsContact O-CB 3.29Å; N23-L27 WeakPolarHBondContact O-CB 3.29Å; N23-L27 PolarHBondContact O-N 3.31Å |
| 24 | V | 90.3 | Very high | 87.4 | Confident | 67 Ų | 67 | 94.8 Ų | 94.8 | 41% | 0.406 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.3 | -41 | 175.2 | 169.9 | 0 | 0 | 0 | 0 | 111.5 | I20 L21 I22 L27 K28 | I20-V24 HydrophobicContact CG2-CG2 4.36Å; I20-V24 VanDerWaalsContact O-CG2 3.3Å; I20-V24 WeakPolarHBondContact O-CG2 3.48Å; I20-V24 PolarHBondContact O-N 3.44Å; L21-V24 PolarHBondContact O-N 2.92Å; I22-V24 VanDerWaalsContact C-N 3.31Å; I22-V24 PolarHBondContact O-N 3.5Å; V24-L27 PolarHBondContact O-N 3.2Å; V24-K28 PolarHBondContact O-N 3.19Å |
| 25 | V | 90 | Very high | 86.7 | Confident | 85 Ų | 85 | 95.3 Ų | 95.3 | 52% | 0.515 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.1 | -44.5 | 177.3 | 172.3 | 0 | 0 | 0 | 0 | 110.9 | L21 I22 K28 S29 | L21-V25 WeakPolarHBondContact O-CG2 3.32Å; L21-V25 PolarHBondContact O-N 3.47Å; I22-V25 PolarHBondContact O-N 3.31Å; I22-V25 VanDerWaalsContact O-N 3.15Å; V25-K28 PolarHBondContact O-N 2.97Å; V25-S29 WeakPolarHBondContact O-CB 3.35Å; V25-S29 PolarHBondContact O-N 2.88Å; V25-S29 PolarHBondContact O-OG 2.92Å |
| 26 | I | 88.6 | Confident | 85.8 | Confident | 101 Ų | 101 | 94.4 Ų | 94.4 | 52% | 0.518 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.6 | -46.5 | 176.1 | -67.4 | 169.7 | 0 | 0 | 0 | 110.4 | I22 N23 K28 S29 F30 | I22-I26 HydrophobicContact CG2-CD1 3.7Å; I22-I26 HydrophobicContact CG2-CG1 4.37Å; I22-I26 WeakPolarHBondContact O-CG1 3.36Å; I22-I26 PolarHBondContact O-N 3.48Å; N23-I26 PolarHBondContact O-N 3.42Å; I26-K28 PolarHBondContact O-N 2.88Å; I26-S29 WeakPolarHBondContact O-CB 3.48Å; I26-S29 PolarHBondContact O-N 3.44Å; I26-F30 WeakPolarHBondContact O-CB 3.41Å; I26-F30 PolarHBondContact O-N 2.97Å |
| 27 | L | 87.1 | Confident | 85 | Confident | 103 Ų | 103 | 93.7 Ų | 93.7 | 54% | 0.539 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.6 | -45.6 | 179.6 | -175.2 | 65.6 | 0 | 0 | 0 | 111.9 | N23 V24 S29 F30 L31 | N23-L27 VanDerWaalsContact O-CB 3.29Å; N23-L27 WeakPolarHBondContact O-CB 3.29Å; N23-L27 PolarHBondContact O-N 3.31Å; V24-L27 PolarHBondContact O-N 3.2Å; L27-S29 VanDerWaalsContact C-N 3.3Å; L27-S29 PolarHBondContact O-N 3.42Å; L27-F30 PolarHBondContact O-N 2.94Å; L27-L31 HydrophobicContact CG-CD1 4.29Å; L27-L31 WeakPolarHBondContact O-CG 3.36Å; L27-L31 PolarHBondContact O-N 2.72Å |
| 28 | K | 83.9 | Confident | 84.1 | Confident | 141 Ų | 141 | 92 Ų | 92 | 61% | 0.613 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -60.4 | -41.6 | 175 | -81.3 | -174.4 | 175.5 | -178.8 | 0 | 111.9 | V24 V25 I26 L31 L32 | V24-K28 PolarHBondContact O-N 3.19Å; V25-K28 PolarHBondContact O-N 2.97Å; I26-K28 PolarHBondContact O-N 2.88Å; K28-L31 PolarHBondContact O-N 2.97Å; K28-L32 WeakPolarHBondContact O-CG 3.28Å; K28-L32 PolarHBondContact O-N 3.16Å |
| 29 | S | 81.9 | Confident | 83 | Confident | 54 Ų | 54 | 91.7 Ų | 91.7 | 38% | 0.378 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.3 | -43.1 | 179.4 | -54.8 | 0 | 0 | 0 | 0 | 110.9 | V25 I26 L27 L32 I33 | V25-S29 WeakPolarHBondContact O-CB 3.35Å; V25-S29 PolarHBondContact O-N 2.88Å; V25-S29 PolarHBondContact O-OG 2.92Å; I26-S29 WeakPolarHBondContact O-CB 3.48Å; I26-S29 PolarHBondContact O-N 3.44Å; L27-S29 VanDerWaalsContact C-N 3.3Å; L27-S29 PolarHBondContact O-N 3.42Å; S29-L32 PolarHBondContact O-N 3.12Å; S29-I33 WeakPolarHBondContact O-CD1 3.49Å; S29-I33 VanDerWaalsContact O-CG1 3.26Å; S29-I33 WeakPolarHBondContact O-CG1 3.43Å; S29-I33 PolarHBondContact O-N 3.35Å |
| 30 | F | 84.4 | Confident | 81.8 | Confident | 138 Ų | 138 | 90.2 Ų | 90.2 | 61% | 0.605 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -63.5 | -43.7 | 175.9 | -176.4 | -96.6 | 0 | 0 | 0 | 112.7 | I26 L27 L32 I33 S34 | I26-F30 WeakPolarHBondContact O-CB 3.41Å; I26-F30 PolarHBondContact O-N 2.97Å; L27-F30 PolarHBondContact O-N 2.94Å; F30-L32 VanDerWaalsContact C-N 3.34Å; F30-L32 PolarHBondContact O-N 2.94Å; F30-I33 PolarHBondContact O-N 3Å; F30-S34 WeakPolarHBondContact O-CB 3.34Å; F30-S34 PolarHBondContact O-N 3.22Å; F30-S34 PolarHBondContact O-OG 3.32Å |
| 31 | L | 80.2 | Confident | 80.3 | Confident | 101 Ų | 101 | 89.9 Ų | 89.9 | 53% | 0.529 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.4 | -39.3 | 176.6 | -72.5 | 173.1 | 0 | 0 | 0 | 112.2 | L27 K28 S34 S35 | L27-L31 HydrophobicContact CG-CD1 4.29Å; L27-L31 WeakPolarHBondContact O-CG 3.36Å; L27-L31 PolarHBondContact O-N 2.72Å; K28-L31 PolarHBondContact O-N 2.97Å; L31-S34 WeakPolarHBondContact CA-OG 3.38Å; L31-S34 PolarHBondContact O-OG 3.02Å; L31-S35 WeakPolarHBondContact O-CB 3.35Å; L31-S35 PolarHBondContact O-N 3.4Å |
| 32 | L | 76.8 | Confident | 78.8 | Confident | 112 Ų | 112 | 89.4 Ų | 89.4 | 59% | 0.586 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -63.9 | -50.6 | 174.5 | -74.2 | 170.9 | 0 | 0 | 0 | 111 | K28 S29 F30 S34 S35 W36 | K28-L32 WeakPolarHBondContact O-CG 3.28Å; K28-L32 PolarHBondContact O-N 3.16Å; S29-L32 PolarHBondContact O-N 3.12Å; F30-L32 VanDerWaalsContact C-N 3.34Å; F30-L32 PolarHBondContact O-N 2.94Å; L32-S34 VanDerWaalsContact C-N 3.34Å; L32-S34 PolarHBondContact O-N 3.05Å; L32-S35 PolarHBondContact O-N 2.98Å; L32-W36 PolarHBondContact O-N 2.86Å |
| 33 | I | 77.1 | Confident | 77.2 | Confident | 109 Ų | 109 | 86.5 Ų | 86.5 | 56% | 0.559 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -59.3 | -46.5 | -179.4 | -67.2 | 163.9 | 0 | 0 | 0 | 110.7 | S29 F30 W36 V37 | S29-I33 WeakPolarHBondContact O-CD1 3.49Å; S29-I33 VanDerWaalsContact O-CG1 3.26Å; S29-I33 WeakPolarHBondContact O-CG1 3.43Å; S29-I33 PolarHBondContact O-N 3.35Å; F30-I33 PolarHBondContact O-N 3Å; I33-W36 PolarHBondContact O-N 2.91Å; I33-V37 HydrophobicContact CG2-CG2 4.36Å; I33-V37 WeakPolarHBondContact O-CG2 3.48Å; I33-V37 PolarHBondContact O-N 3.38Å |
| 34 | S | 75.9 | Confident | 75.7 | Confident | 36 Ų | 36 | 85.9 Ų | 85.9 | 25% | 0.252 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -63.2 | -43.4 | 179.4 | 53.1 | 0 | 0 | 0 | 0 | 112.6 | F30 L31 L32 W36 V37 I38 | F30-S34 WeakPolarHBondContact O-CB 3.34Å; F30-S34 PolarHBondContact O-N 3.22Å; F30-S34 PolarHBondContact O-OG 3.32Å; L31-S34 WeakPolarHBondContact CA-OG 3.38Å; L31-S34 PolarHBondContact O-OG 3.02Å; L32-S34 VanDerWaalsContact C-N 3.34Å; L32-S34 PolarHBondContact O-N 3.05Å; S34-W36 VanDerWaalsContact C-N 3.28Å; S34-W36 PolarHBondContact O-N 3.47Å; S34-V37 PolarHBondContact O-N 2.99Å; S34-I38 WeakPolarHBondContact O-CG1 3.48Å; S34-I38 PolarHBondContact O-N 3.4Å |
| 35 | S | 75 | Confident | 74.2 | Confident | 75 Ų | 75 | 88.5 Ų | 88.5 | 52% | 0.524 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -58.9 | -39.7 | 174.4 | -176.7 | 0 | 0 | 0 | 0 | 112.2 | L31 L32 L39 | L31-S35 WeakPolarHBondContact O-CB 3.35Å; L31-S35 PolarHBondContact O-N 3.4Å; L32-S35 PolarHBondContact O-N 2.98Å; S35-L39 WeakPolarHBondContact O-CB 3.26Å; S35-L39 PolarHBondContact O-N 2.96Å |
| 36 | W | 69 | Low | 72.3 | Confident | 98 Ų | 98 | 89 Ų | 89 | 37% | 0.371 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -70.3 | -41 | 177.6 | -84.8 | 101.2 | 0 | 0 | 0 | 112.5 | L32 I33 S34 I38 L39 V40 F90 | L32-W36 PolarHBondContact O-N 2.86Å; I33-W36 PolarHBondContact O-N 2.91Å; S34-W36 VanDerWaalsContact C-N 3.28Å; S34-W36 PolarHBondContact O-N 3.47Å; W36-I38 VanDerWaalsContact C-N 3.3Å; W36-I38 PolarHBondContact O-N 3.36Å; W36-L39 HydrophobicContact CE3-CD2 3.98Å; W36-L39 HydrophobicContact CZ3-CD2 3.92Å; W36-L39 PolarHBondContact O-N 3.35Å; W36-V40 WeakPolarHBondContact O-CG2 3.42Å; W36-V40 PolarHBondContact O-N 3.5Å; W36-F90 HydrophobicContact CZ2-CE2 4.45Å |
| 37 | V | 76 | Confident | 70.7 | Confident | 78 Ų | 78 | 89.6 Ų | 89.6 | 47% | 0.473 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -60.3 | -43.2 | 175.1 | 170.3 | 0 | 0 | 0 | 0 | 110.4 | I33 S34 V40 L41 | I33-V37 HydrophobicContact CG2-CG2 4.36Å; I33-V37 WeakPolarHBondContact O-CG2 3.48Å; I33-V37 PolarHBondContact O-N 3.38Å; S34-V37 PolarHBondContact O-N 2.99Å; V37-V40 PolarHBondContact O-N 2.92Å; V37-L41 HydrophobicContact CG1-CD1 3.75Å; V37-L41 WeakPolarHBondContact O-CB 3.32Å; V37-L41 PolarHBondContact O-N 3.45Å |
| 38 | I | 73.1 | Confident | 68.7 | Low | 100 Ų | 100 | 88.4 Ų | 88.4 | 51% | 0.513 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.7 | -43.8 | 175.1 | -66.9 | 166.9 | 0 | 0 | 0 | 110.8 | S34 W36 V40 L41 L42 | S34-I38 WeakPolarHBondContact O-CG1 3.48Å; S34-I38 PolarHBondContact O-N 3.4Å; W36-I38 VanDerWaalsContact C-N 3.3Å; W36-I38 PolarHBondContact O-N 3.36Å; I38-V40 PolarHBondContact O-N 3.28Å; I38-L41 PolarHBondContact O-N 2.99Å; I38-L42 HydrophobicContact CG2-CD1 3.89Å; I38-L42 HydrophobicContact CG2-CG 4.34Å; I38-L42 WeakPolarHBondContact O-CB 3.38Å; I38-L42 WeakPolarHBondContact O-CG 3.01Å; I38-L42 PolarHBondContact O-N 3Å |
| 39 | L | 69.8 | Low | 66.8 | Low | 76 Ų | 76 | 84 Ų | 84 | 40% | 0.398 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -61.2 | -44.8 | 177.2 | -174.3 | 72.2 | 0 | 0 | 0 | 111.6 | S35 W36 L42 L43 | S35-L39 WeakPolarHBondContact O-CB 3.26Å; S35-L39 PolarHBondContact O-N 2.96Å; W36-L39 HydrophobicContact CE3-CD2 3.98Å; W36-L39 HydrophobicContact CZ3-CD2 3.92Å; W36-L39 PolarHBondContact O-N 3.35Å; L39-L42 PolarHBondContact O-N 2.99Å; L39-L43 HydrophobicContact CG-CD1 4.07Å; L39-L43 WeakPolarHBondContact O-CB 3.39Å; L39-L43 VanDerWaalsContact O-CG 3.24Å; L39-L43 WeakPolarHBondContact O-CG 3.3Å; L39-L43 PolarHBondContact O-N 2.86Å |
| 40 | V | 66.6 | Low | 65 | Low | 44 Ų | 44 | 82.8 Ų | 82.8 | 27% | 0.267 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -64.4 | -44.3 | 177 | 173.5 | 0 | 0 | 0 | 0 | 110.5 | W36 V37 I38 L42 L43 V44 L82 | W36-V40 WeakPolarHBondContact O-CG2 3.42Å; W36-V40 PolarHBondContact O-N 3.5Å; V37-V40 PolarHBondContact O-N 2.92Å; I38-V40 PolarHBondContact O-N 3.28Å; V40-L42 PolarHBondContact O-N 3.08Å; V40-L43 PolarHBondContact O-N 3.47Å; V40-V44 HydrophobicContact CG1-CG2 4.14Å; V40-V44 WeakPolarHBondContact O-CB 3.38Å; V40-V44 VanDerWaalsContact O-CG2 3.23Å; V40-V44 WeakPolarHBondContact O-CG2 3.47Å; V40-V44 PolarHBondContact O-N 3.48Å; V40-L82 HydrophobicContact CG1-CD1 4.5Å; V40-L82 HydrophobicContact CG2-CD1 4.28Å |
| 41 | L | 63.2 | Low | 63 | Low | 89 Ų | 89 | 83 Ų | 83 | 47% | 0.466 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -58.6 | -46.3 | 174.3 | -86.7 | 156.3 | 0 | 0 | 0 | 111.2 | V37 I38 L43 V44 I45 | V37-L41 HydrophobicContact CG1-CD1 3.75Å; V37-L41 WeakPolarHBondContact O-CB 3.32Å; V37-L41 PolarHBondContact O-N 3.45Å; I38-L41 PolarHBondContact O-N 2.99Å; L41-L43 VanDerWaalsContact C-N 3.33Å; L41-L43 PolarHBondContact O-N 2.88Å; L41-V44 PolarHBondContact O-N 3.27Å; L41-I45 HydrophobicContact CB-CD1 4.23Å; L41-I45 HydrophobicContact CD2-CD1 3.92Å; L41-I45 WeakPolarHBondContact O-CB 3.2Å; L41-I45 WeakPolarHBondContact O-CD1 3.32Å; L41-I45 WeakPolarHBondContact O-CG1 3.35Å; L41-I45 PolarHBondContact O-N 3.18Å |
| 42 | L | 61.6 | Low | 61.1 | Low | 86 Ų | 86 | 80.8 Ų | 80.8 | 45% | 0.45 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61.3 | -40.7 | 176.8 | -78.1 | 169.2 | 0 | 0 | 0 | 112 | I38 L39 V40 N46 | I38-L42 HydrophobicContact CG2-CD1 3.89Å; I38-L42 HydrophobicContact CG2-CG 4.34Å; I38-L42 WeakPolarHBondContact O-CB 3.38Å; I38-L42 WeakPolarHBondContact O-CG 3.01Å; I38-L42 PolarHBondContact O-N 3Å; L39-L42 PolarHBondContact O-N 2.99Å; V40-L42 PolarHBondContact O-N 3.08Å; L42-N46 VanDerWaalsContact O-CB 3.27Å; L42-N46 WeakPolarHBondContact O-CB 3.36Å; L42-N46 PolarHBondContact O-N 3.37Å; L42-N46 PolarHBondContact O-ND2 3.21Å |
| 43 | L | 59.5 | Low | 59.2 | Low | 29 Ų | 29 | 85.3 Ų | 85.3 | 15% | 0.152 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -69.3 | -37.9 | 178.1 | -73.7 | 166.7 | 0 | 0 | 0 | 112.7 | L39 V40 L41 L48 M50 L82 | L39-L43 HydrophobicContact CG-CD1 4.07Å; L39-L43 WeakPolarHBondContact O-CB 3.39Å; L39-L43 VanDerWaalsContact O-CG 3.24Å; L39-L43 WeakPolarHBondContact O-CG 3.3Å; L39-L43 PolarHBondContact O-N 2.86Å; V40-L43 PolarHBondContact O-N 3.47Å; L41-L43 VanDerWaalsContact C-N 3.33Å; L41-L43 PolarHBondContact O-N 2.88Å; L43-L48 HydrophobicContact CD2-CB 3.91Å; L43-L48 HydrophobicContact CD2-CD1 4.42Å; L43-L48 PolarHBondContact O-N 3.48Å; L43-M50 HydrophobicContact CD1-CG 4.34Å; L43-M50 HydrophobicContact CD1-SD 3.86Å; L43-M50 HydrophobicContact CD2-CG 3.92Å; L43-L82 HydrophobicContact CD1-CD1 4.49Å; L43-L82 HydrophobicContact CD1-CD2 4.37Å |
| 44 | V | 60.4 | Low | 57.5 | Low | 82 Ų | 82 | 85.8 Ų | 85.8 | 50% | 0.497 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -74.6 | -45.8 | 178.6 | 172.8 | 0 | 0 | 0 | 0 | 110.9 | V40 L41 D47 | V40-V44 HydrophobicContact CG1-CG2 4.14Å; V40-V44 WeakPolarHBondContact O-CB 3.38Å; V40-V44 VanDerWaalsContact O-CG2 3.23Å; V40-V44 WeakPolarHBondContact O-CG2 3.47Å; V40-V44 PolarHBondContact O-N 3.48Å; L41-V44 PolarHBondContact O-N 3.27Å; V44-D47 PolarHBondContact O-N 2.8Å |
| 45 | I | 57.9 | Low | 55.6 | Low | 122 Ų | 122 | 92.5 Ų | 92.5 | 63% | 0.626 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -69.4 | -44.9 | -177 | -67.9 | 167.2 | 0 | 0 | 0 | 111.4 | L41 D47 | L41-I45 HydrophobicContact CB-CD1 4.23Å; L41-I45 HydrophobicContact CD2-CD1 3.92Å; L41-I45 WeakPolarHBondContact O-CB 3.2Å; L41-I45 WeakPolarHBondContact O-CD1 3.32Å; L41-I45 WeakPolarHBondContact O-CG1 3.35Å; L41-I45 PolarHBondContact O-N 3.18Å; I45-D47 PolarHBondContact O-N 3.13Å |
| 46 | N | 51 | Low | 53.6 | Low | 94 Ų | 94 | 92.2 Ų | 92.2 | 50% | 0.503 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | 6.3 | -177.3 | -66.1 | -67.6 | 0 | 0 | 0 | 113.3 | L42 L48 | L42-N46 VanDerWaalsContact O-CB 3.27Å; L42-N46 WeakPolarHBondContact O-CB 3.36Å; L42-N46 PolarHBondContact O-N 3.37Å; L42-N46 PolarHBondContact O-ND2 3.21Å; N46-L48 HydrophobicContact CB-CD1 3.5Å; N46-L48 HydrophobicContact CB-CG 3.71Å; N46-L48 PolarHBondContact O-N 2.94Å |
| 47 | D | 54.7 | Low | 51.7 | Low | 115 Ų | 115 | 94.7 Ų | 94.7 | 62% | 0.615 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.7 | 25.6 | -175.5 | -126.1 | -16.7 | 0 | 0 | 0 | 113.6 | V44 I45 K78 | V44-D47 PolarHBondContact O-N 2.8Å; I45-D47 PolarHBondContact O-N 3.13Å; D47-K78 VanDerWaalsContact C-NZ 3.3Å; D47-K78 PolarHBondContact O-NZ 2.89Å; D47-K78 IonicContact OD1-NZ 2.67Å; D47-K78 PolarHBondContact OD1-NZ 3.15Å |
| 48 | L | 44.4 | Very low | 49.4 | Very low | 78 Ų | 78 | 96.6 Ų | 96.6 | 41% | 0.408 | 50% | 0.497 | S | S | . | . | trans | -57 | 130.8 | -170.4 | -87.2 | 150 | 0 | 0 | 0 | 108.8 | L43 N46 M50 | L43-L48 HydrophobicContact CD2-CB 3.91Å; L43-L48 HydrophobicContact CD2-CD1 4.42Å; L43-L48 PolarHBondContact O-N 3.48Å; N46-L48 HydrophobicContact CB-CD1 3.5Å; N46-L48 HydrophobicContact CB-CG 3.71Å; N46-L48 PolarHBondContact O-N 2.94Å; L48-M50 PolarHBondContact O-N 2.86Å | ||
| 49 | P | 45.4 | Very low | 47.1 | Very low | 48 Ų | 48 | 100.8 Ų | 100.8 | 31% | 0.312 | 51% | 0.508 | S | S | . | . | trans | -63.2 | 108.1 | 178.3 | 25.1 | -31.8 | 0 | 0 | 0 | 108.4 | Y51 | P49-Y51 HydrophobicContact CB-CE1 4.09Å; P49-Y51 HydrophobicContact CB-CE2 4.05Å; P49-Y51 HydrophobicContact CG-CE1 4.46Å; P49-Y51 HydrophobicContact CG-CE2 3.75Å; P49-Y51 WeakPolarHBondContact O-CD2 3.24Å; P49-Y51 PolarHBondContact O-N 3.36Å; P49-Y51 VanDerWaalsContact O-N 3.13Å | ||
| 50 | M | 44 | Very low | 45 | Very low | 28 Ų | 28 | 106.5 Ų | 106.5 | 14% | 0.138 | 53% | 0.53 | C | S | . | . | trans | -75 | 103.6 | 167.4 | -84 | -158.9 | -85.8 | 0 | 0 | 108.9 | L43 L48 C52 K78 L82 | L43-M50 HydrophobicContact CD1-CG 4.34Å; L43-M50 HydrophobicContact CD1-SD 3.86Å; L43-M50 HydrophobicContact CD2-CG 3.92Å; L48-M50 PolarHBondContact O-N 2.86Å; M50-C52 PolarHBondContact O-N 3.35Å; M50-K78 HydrophobicContact CE-CB 3.75Å; M50-K78 HydrophobicContact CE-CG 4.34Å; M50-L82 HydrophobicContact CE-CD1 3.15Å; M50-L82 HydrophobicContact CE-CD2 4.24Å; M50-L82 HydrophobicContact CE-CG 3.39Å; M50-L82 HydrophobicContact SD-CD1 3.67Å; M50-L82 HydrophobicContact SD-CD2 3.59Å; M50-L82 VanDerWaalsContact SD-CD2 3.59Å; M50-L82 HydrophobicContact SD-CG 3.35Å; M50-L82 WeakPolarHBondContact SD-CG 3.35Å | ||
| 51 | Y | 41.9 | Very low | 43.1 | Very low | 143 Ų | 143 | 112.7 Ų | 112.7 | 56% | 0.561 | 56% | 0.561 | S | S | * | * | trans | -76.8 | 97.5 | 172.3 | -58.7 | -67.9 | 0 | 0 | 0 | 108.8 | P49 Y53 F69 | P49-Y51 HydrophobicContact CB-CE1 4.09Å; P49-Y51 HydrophobicContact CB-CE2 4.05Å; P49-Y51 HydrophobicContact CG-CE1 4.46Å; P49-Y51 HydrophobicContact CG-CE2 3.75Å; P49-Y51 WeakPolarHBondContact O-CD2 3.24Å; P49-Y51 PolarHBondContact O-N 3.36Å; P49-Y51 VanDerWaalsContact O-N 3.13Å; Y51-Y53 PolarHBondContact O-N 2.91Å; Y51-F69 HydrophobicContact CD1-CB 4.16Å; Y51-F69 AromaticContact CD1-CD1 3.28Å; Y51-F69 HydrophobicContact CD1-CD1 3.28Å; Y51-F69 AromaticContact CD1-CE1 3.94Å; Y51-F69 HydrophobicContact CD1-CE1 3.94Å; Y51-F69 HydrophobicContact CD1-CG 4.07Å; Y51-F69 HydrophobicContact CE1-CB 4.22Å; Y51-F69 AromaticContact CE1-CD1 3.81Å; Y51-F69 HydrophobicContact CE1-CD1 3.81Å; Y51-F69 HydrophobicContact CE1-CE1 4.47Å; Y51-F69 HydrophobicContact CE1-CG 4.24Å; Y51-F69 HydrophobicContact CG-CD1 4.02Å; Y51-F69 HydrophobicContact CG-CE1 4.29Å | ||
| 52 | C | 40.3 | Very low | 41.2 | Very low | 54 Ų | 54 | 112 Ų | 112 | 37% | 0.365 | 57% | 0.574 | S | S | . | * | trans | -73 | 117.7 | 168.6 | -77.2 | 0 | 0 | 0 | 0 | 109.9 | M50 H54 H81 | M50-C52 PolarHBondContact O-N 3.35Å; C52-H54 PolarHBondContact O-N 3.2Å; C52-H81 VanDerWaalsContact SG-CB 3.55Å; C52-H81 PolarHBondContact SG-CD2 2.94Å; C52-H81 VanDerWaalsContact SG-CG 3.6Å | ||
| 53 | Y | 36.9 | Very low | 39.5 | Very low | 207 Ų | 207 | 114.1 Ų | 114.1 | 81% | 0.812 | 60% | 0.595 | S | S | * | * | trans | -67.6 | 94.5 | 165.9 | -99.5 | -92.4 | 0 | 0 | 0 | 109.3 | Y51 H55 | Y51-Y53 PolarHBondContact O-N 2.91Å; Y53-H55 PolarHBondContact O-N 2.8Å | ||
| 54 | H | 41 | Very low | 38 | Very low | 120 Ų | 120 | 116.5 Ų | 116.5 | 56% | 0.556 | 62% | 0.615 | S | S | * | * | trans | -83.7 | 99.5 | 166.2 | -158.3 | -52.5 | 0 | 0 | 0 | 108.6 | C52 S56 Y102 | C52-H54 PolarHBondContact O-N 3.2Å; H54-S56 VanDerWaalsContact C-N 3.29Å; H54-S56 PolarHBondContact O-N 2.98Å; H54-Y102 PolarHBondContact CD2-OH 3.4Å; H54-Y102 PolarHBondContact NE2-OH 2.97Å | ||
| 55 | H | 35 | Very low | 36.6 | Very low | 176 Ų | 176 | 122.8 Ų | 122.8 | 82% | 0.815 | 64% | 0.635 | S | S | * | * | trans | -69.8 | 91.8 | 163.3 | -123.4 | -79.2 | 0 | 0 | 0 | 107 | Y53 L57 | Y53-H55 PolarHBondContact O-N 2.8Å; H55-L57 PolarHBondContact O-N 3.45Å | ||
| 56 | S | 33.1 | Very low | 35.2 | Very low | 69 Ų | 69 | 122 Ų | 122 | 48% | 0.483 | 63% | 0.629 | S | S | . | * | trans | -66 | 114 | 169.7 | 48 | 0 | 0 | 0 | 0 | 108.1 | H54 T58 | H54-S56 VanDerWaalsContact C-N 3.29Å; H54-S56 PolarHBondContact O-N 2.98Å; S56-T58 PolarHBondContact O-N 3.32Å; S56-T58 VanDerWaalsContact O-N 3.08Å | ||
| 57 | L | 29.9 | Very low | 34.5 | Very low | 150 Ų | 150 | 122.6 Ų | 122.6 | 79% | 0.785 | 64% | 0.636 | S | S | * | * | trans | -70.9 | 101.9 | 176.3 | -146.8 | 120.2 | 0 | 0 | 0 | 107.3 | H55 Y59 | H55-L57 PolarHBondContact O-N 3.45Å; L57-Y59 HydrophobicContact CD2-CD2 3.52Å; L57-Y59 HydrophobicContact CD2-CE2 4.02Å; L57-Y59 HydrophobicContact CG-CD2 4.34Å; L57-Y59 PolarHBondContact O-N 2.96Å; L57-Y59 VanDerWaalsContact O-N 3.16Å | ||
| 58 | T | 28.3 | Very low | 33.6 | Very low | 118 Ų | 118 | 124.6 Ų | 124.6 | 72% | 0.724 | 64% | 0.636 | S | S | * | * | trans | -71.8 | 96.8 | 173 | 22.6 | 0 | 0 | 0 | 0 | 108.8 | S56 | S56-T58 PolarHBondContact O-N 3.32Å; S56-T58 VanDerWaalsContact O-N 3.08Å | ||
| 59 | Y | 25.3 | Very low | 33.3 | Very low | 189 Ų | 189 | 127.6 Ų | 127.6 | 74% | 0.741 | 65% | 0.646 | S | S | * | * | trans | -135 | 118.3 | 159.9 | -88.5 | -91.8 | 0 | 0 | 0 | 108.1 | L57 | L57-Y59 HydrophobicContact CD2-CD2 3.52Å; L57-Y59 HydrophobicContact CD2-CE2 4.02Å; L57-Y59 HydrophobicContact CG-CD2 4.34Å; L57-Y59 PolarHBondContact O-N 2.96Å; L57-Y59 VanDerWaalsContact O-N 3.16Å | ||
| 60 | F | 25.6 | Very low | 33.2 | Very low | 196 Ų | 196 | 132.3 Ų | 132.3 | 86% | 0.86 | 66% | 0.664 | S | S | * | * | S | Bend | trans | 79.1 | 111 | -178.1 | -71.7 | -95.1 | 0 | 0 | 0 | 116.4 | ||
| 61 | L | 25 | Very low | 33 | Very low | 174 Ų | 174 | 141.8 Ų | 141.8 | 91% | 0.911 | 70% | 0.698 | S | S | * | * | S | Bend | trans | 89 | 91.2 | 170.3 | -55.4 | 161.4 | 0 | 0 | 0 | 115.8 | ||
| 62 | G | 23.9 | Very low | 33.4 | Very low | 73 Ų | 73 | 135.9 Ų | 135.9 | 75% | 0.753 | 68% | 0.676 | S | S | * | * | trans | 41 | 110.4 | 142.7 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 63 | C | 26.5 | Very low | 33.6 | Very low | 131 Ų | 131 | 136.3 Ų | 136.3 | 89% | 0.885 | 69% | 0.689 | S | S | * | * | trans | 40.8 | 97.1 | 145.1 | -70 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 64 | S | 27.1 | Very low | 34.2 | Very low | 80 Ų | 80 | 134 Ų | 134 | 56% | 0.559 | 68% | 0.68 | S | S | * | * | -170.8 | 122 | 117.5 | 52.7 | 0 | 0 | 0 | 0 | 110.5 | Q66 | S64-Q66 PolarHBondContact O-N 3.27Š| |||
| 65 | K | 31 | Very low | 34.6 | Very low | 213 Ų | 213 | 132.8 Ų | 132.8 | 93% | 0.926 | 68% | 0.683 | S | S | * | * | trans | -75.3 | 78.1 | 167.6 | -71.2 | 176.7 | 177.9 | 175.2 | 0 | 108 | ||||
| 66 | Q | 29.4 | Very low | 35.2 | Very low | 105 Ų | 105 | 131.5 Ų | 131.5 | 49% | 0.491 | 68% | 0.679 | S | S | . | * | trans | -96.8 | 100.8 | 168.6 | -81.9 | 174.2 | -27.5 | 0 | 0 | 109.1 | S64 Y68 | S64-Q66 PolarHBondContact O-N 3.27Å; Q66-Y68 HydrophobicContact CB-CD2 3.87Å; Q66-Y68 HydrophobicContact CB-CE2 3.32Å; Q66-Y68 HydrophobicContact CG-CE2 4.38Å; Q66-Y68 WeakPolarHBondContact O-CD2 3.42Å; Q66-Y68 PolarHBondContact O-N 2.91Å; Q66-Y68 VanDerWaalsContact OE1-CZ 3.27Å; Q66-Y68 PolarHBondContact OE1-OH 3.43Å | ||
| 67 | T | 36.1 | Very low | 36.3 | Very low | 108 Ų | 108 | 132.8 Ų | 132.8 | 66% | 0.663 | 68% | 0.678 | S | S | * | * | trans | -69.5 | 97.9 | 162.6 | 42.5 | 0 | 0 | 0 | 0 | 108.1 | F69 | T67-F69 PolarHBondContact O-N 3.18Š| ||
| 68 | Y | 35.8 | Very low | 37.3 | Very low | 157 Ų | 157 | 126.4 Ų | 126.4 | 62% | 0.616 | 64% | 0.643 | S | S | * | * | trans | -83.5 | 109.1 | 174.7 | -69.7 | -85.2 | 0 | 0 | 0 | 109.8 | Q66 H70 | Q66-Y68 HydrophobicContact CB-CD2 3.87Å; Q66-Y68 HydrophobicContact CB-CE2 3.32Å; Q66-Y68 HydrophobicContact CG-CE2 4.38Å; Q66-Y68 WeakPolarHBondContact O-CD2 3.42Å; Q66-Y68 PolarHBondContact O-N 2.91Å; Q66-Y68 VanDerWaalsContact OE1-CZ 3.27Å; Q66-Y68 PolarHBondContact OE1-OH 3.43Å; Y68-H70 PolarHBondContact O-N 2.56Å | ||
| 69 | F | 37.1 | Very low | 38.6 | Very low | 141 Ų | 141 | 124.6 Ų | 124.6 | 62% | 0.618 | 63% | 0.629 | S | S | * | * | trans | -80.1 | 93.8 | 169.1 | -65.2 | -72.8 | 0 | 0 | 0 | 109.1 | Y51 T67 R71 | Y51-F69 HydrophobicContact CD1-CB 4.16Å; Y51-F69 AromaticContact CD1-CD1 3.28Å; Y51-F69 HydrophobicContact CD1-CD1 3.28Å; Y51-F69 AromaticContact CD1-CE1 3.94Å; Y51-F69 HydrophobicContact CD1-CE1 3.94Å; Y51-F69 HydrophobicContact CD1-CG 4.07Å; Y51-F69 HydrophobicContact CE1-CB 4.22Å; Y51-F69 AromaticContact CE1-CD1 3.81Å; Y51-F69 HydrophobicContact CE1-CD1 3.81Å; Y51-F69 HydrophobicContact CE1-CE1 4.47Å; Y51-F69 HydrophobicContact CE1-CG 4.24Å; Y51-F69 HydrophobicContact CG-CD1 4.02Å; Y51-F69 HydrophobicContact CG-CE1 4.29Å; T67-F69 PolarHBondContact O-N 3.18Å; F69-R71 PolarHBondContact O-N 3.36Å | ||
| 70 | H | 43 | Very low | 40.2 | Very low | 146 Ų | 146 | 124.9 Ų | 124.9 | 68% | 0.676 | 63% | 0.629 | S | S | * | * | trans | -79.3 | 120.8 | 172.3 | -87.7 | -80.5 | 0 | 0 | 0 | 110.6 | Y68 L72 | Y68-H70 PolarHBondContact O-N 2.56Å; H70-L72 PolarHBondContact O-N 3.17Å | ||
| 71 | R | 40.9 | Very low | 41.9 | Very low | 228 Ų | 228 | 119 Ų | 119 | 86% | 0.86 | 60% | 0.603 | S | S | * | * | trans | -70.7 | 105.9 | 164.5 | -143 | -178.6 | -154.7 | -170.2 | 5.2 | 107.2 | F69 G73 | F69-R71 PolarHBondContact O-N 3.36Å; R71-G73 PolarHBondContact O-N 3.31Å | ||
| 72 | L | 50.5 | Low | 43.6 | Very low | 19 Ų | 19 | 112.1 Ų | 112.1 | 10% | 0.099 | 57% | 0.568 | C | S | . | * | trans | -69.8 | 97.1 | 175 | -70.3 | 162.4 | 0 | 0 | 0 | 108 | H70 Y74 Q77 K78 H81 | H70-L72 PolarHBondContact O-N 3.17Å; L72-Y74 VanDerWaalsContact C-N 3.25Å; L72-Y74 PolarHBondContact O-N 3.26Å; L72-Q77 HydrophobicContact CD2-CB 3.78Å; L72-K78 HydrophobicContact CB-CG 3.55Å; L72-K78 HydrophobicContact CD1-CG 4.09Å; L72-K78 HydrophobicContact CG-CG 4.46Å; L72-K78 WeakPolarHBondContact O-CE 3.34Å; L72-H81 HydrophobicContact CD1-CB 4.23Å | ||
| 73 | G | 44.8 | Very low | 45.5 | Very low | 62 Ų | 62 | 113.7 Ų | 113.7 | 64% | 0.639 | 56% | 0.558 | S | S | * | * | trans | -72.4 | -13.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | R71 | R71-G73 PolarHBondContact O-N 3.31Š| ||
| 74 | Y | 49.7 | Very low | 47.2 | Very low | 159 Ų | 159 | 113.1 Ų | 113.1 | 62% | 0.624 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -121.8 | 132.8 | -176.7 | -60.2 | -78.2 | 0 | 0 | 0 | 111.8 | L72 M76 Q77 K78 | L72-Y74 VanDerWaalsContact C-N 3.25Å; L72-Y74 PolarHBondContact O-N 3.26Å; Y74-M76 PolarHBondContact O-N 2.85Å; Y74-M76 VanDerWaalsContact O-N 3.16Å; Y74-Q77 PolarHBondContact O-N 2.92Å; Y74-K78 PolarHBondContact O-N 3.49Å |
| 75 | P | 48.9 | Very low | 48.9 | Very low | 94 Ų | 94 | 115 Ų | 115 | 61% | 0.61 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -59 | -32.7 | -175 | 21.1 | -32 | 0 | 0 | 0 | 113 | Q77 K78 L79 | P75-Q77 VanDerWaalsContact C-N 3.32Å; P75-Q77 PolarHBondContact O-N 3.42Å; P75-K78 WeakPolarHBondContact O-CB 3.48Å; P75-K78 PolarHBondContact O-N 3.31Å; P75-L79 PolarHBondContact O-N 2.99Å |
| 76 | M | 47.6 | Very low | 50.1 | Low | 150 Ų | 150 | 110.8 Ų | 110.8 | 74% | 0.739 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.6 | -31 | 176.6 | -72.4 | -65.4 | -177.8 | 0 | 0 | 113.6 | Y74 R80 | Y74-M76 PolarHBondContact O-N 2.85Å; Y74-M76 VanDerWaalsContact O-N 3.16Å; M76-R80 PolarHBondContact O-N 2.93Å; M76-R80 VanDerWaalsContact O-N 3.11Å |
| 77 | Q | 54.9 | Low | 51.5 | Low | 96 Ų | 96 | 109.6 Ų | 109.6 | 45% | 0.449 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -79.4 | -32.2 | 177.3 | -62.8 | -180 | -11.2 | 0 | 0 | 111.8 | L72 Y74 P75 H81 | L72-Q77 HydrophobicContact CD2-CB 3.78Å; Y74-Q77 PolarHBondContact O-N 2.92Å; P75-Q77 VanDerWaalsContact C-N 3.32Å; P75-Q77 PolarHBondContact O-N 3.42Å; Q77-H81 PolarHBondContact O-N 3.32Å; Q77-H81 VanDerWaalsContact O-N 3.12Å; Q77-H81 PolarHBondContact O-ND1 3.32Å |
| 78 | K | 51.9 | Low | 52.4 | Low | 15 Ų | 15 | 107 Ų | 107 | 7% | 0.065 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -62.1 | -46.6 | 169.4 | -71.3 | -175 | -177.9 | -175.4 | 0 | 111 | D47 M50 L72 Y74 P75 R80 H81 L82 | D47-K78 VanDerWaalsContact C-NZ 3.3Å; D47-K78 PolarHBondContact O-NZ 2.89Å; D47-K78 IonicContact OD1-NZ 2.67Å; D47-K78 PolarHBondContact OD1-NZ 3.15Å; M50-K78 HydrophobicContact CE-CB 3.75Å; M50-K78 HydrophobicContact CE-CG 4.34Å; L72-K78 HydrophobicContact CB-CG 3.55Å; L72-K78 HydrophobicContact CD1-CG 4.09Å; L72-K78 HydrophobicContact CG-CG 4.46Å; L72-K78 WeakPolarHBondContact O-CE 3.34Å; Y74-K78 PolarHBondContact O-N 3.49Å; P75-K78 WeakPolarHBondContact O-CB 3.48Å; P75-K78 PolarHBondContact O-N 3.31Å; K78-R80 PolarHBondContact O-N 3.11Å; K78-H81 PolarHBondContact O-N 3.15Å; K78-L82 PolarHBondContact O-N 3.31Å |
| 79 | L | 54.5 | Low | 53.2 | Low | 81 Ų | 81 | 107.7 Ų | 107.7 | 42% | 0.424 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.3 | -44.8 | 177.3 | -168.9 | 75.4 | 0 | 0 | 0 | 111.9 | P75 H81 L82 L83 | P75-L79 PolarHBondContact O-N 2.99Å; L79-H81 VanDerWaalsContact C-N 3.32Å; L79-H81 PolarHBondContact O-N 2.91Å; L79-L82 PolarHBondContact O-N 2.85Å; L79-L83 HydrophobicContact CD2-CD1 4.43Å; L79-L83 HydrophobicContact CG-CD1 4.03Å; L79-L83 WeakPolarHBondContact O-CB 3.35Å; L79-L83 PolarHBondContact O-N 3.24Å |
| 80 | R | 60.3 | Low | 53.8 | Low | 194 Ų | 194 | 106.2 Ų | 106.2 | 73% | 0.732 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -60.8 | -40.8 | 177.4 | -173.3 | -178 | -73.4 | -156.5 | -1.7 | 112.2 | M76 K78 L83 Y84 | M76-R80 PolarHBondContact O-N 2.93Å; M76-R80 VanDerWaalsContact O-N 3.11Å; K78-R80 PolarHBondContact O-N 3.11Å; R80-L83 PolarHBondContact O-N 3.48Å; R80-Y84 WeakPolarHBondContact O-CB 3.2Å; R80-Y84 PolarHBondContact O-N 2.78Å |
| 81 | H | 60.1 | Low | 54 | Low | 72 Ų | 72 | 102.6 Ų | 102.6 | 33% | 0.333 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -68.9 | -39.7 | 177.5 | -84.5 | 97.1 | 0 | 0 | 0 | 112.8 | C52 L72 Q77 K78 L79 Y84 F85 | C52-H81 VanDerWaalsContact SG-CB 3.55Å; C52-H81 PolarHBondContact SG-CD2 2.94Å; C52-H81 VanDerWaalsContact SG-CG 3.6Å; L72-H81 HydrophobicContact CD1-CB 4.23Å; Q77-H81 PolarHBondContact O-N 3.32Å; Q77-H81 VanDerWaalsContact O-N 3.12Å; Q77-H81 PolarHBondContact O-ND1 3.32Å; K78-H81 PolarHBondContact O-N 3.15Å; L79-H81 VanDerWaalsContact C-N 3.32Å; L79-H81 PolarHBondContact O-N 2.91Å; H81-Y84 PolarHBondContact O-N 3.05Å; H81-F85 WeakPolarHBondContact O-CB 3.39Å; H81-F85 PolarHBondContact O-N 3.24Å |
| 82 | L | 60.6 | Low | 54.4 | Low | 30 Ų | 30 | 96.6 Ų | 96.6 | 16% | 0.157 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -60.4 | -47 | 171.7 | -89.2 | 166 | 0 | 0 | 0 | 112.1 | V40 L43 M50 K78 L79 Y84 F85 Y86 | V40-L82 HydrophobicContact CG1-CD1 4.5Å; V40-L82 HydrophobicContact CG2-CD1 4.28Å; L43-L82 HydrophobicContact CD1-CD1 4.49Å; L43-L82 HydrophobicContact CD1-CD2 4.37Å; M50-L82 HydrophobicContact CE-CD1 3.15Å; M50-L82 HydrophobicContact CE-CD2 4.24Å; M50-L82 HydrophobicContact CE-CG 3.39Å; M50-L82 HydrophobicContact SD-CD1 3.67Å; M50-L82 HydrophobicContact SD-CD2 3.59Å; M50-L82 VanDerWaalsContact SD-CD2 3.59Å; M50-L82 HydrophobicContact SD-CG 3.35Å; M50-L82 WeakPolarHBondContact SD-CG 3.35Å; K78-L82 PolarHBondContact O-N 3.31Å; L79-L82 PolarHBondContact O-N 2.85Å; L82-Y84 VanDerWaalsContact C-N 3.3Å; L82-Y84 PolarHBondContact O-N 3.42Å; L82-F85 PolarHBondContact O-N 3.5Å; L82-Y86 WeakPolarHBondContact O-CB 3.27Å; L82-Y86 PolarHBondContact O-N 3.41Å |
| 83 | L | 64.3 | Low | 54.1 | Low | 107 Ų | 107 | 107 Ų | 107 | 56% | 0.56 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -59.2 | -42 | 176 | -87 | 155.1 | 0 | 0 | 0 | 111.5 | L79 R80 Y86 Y87 | L79-L83 HydrophobicContact CD2-CD1 4.43Å; L79-L83 HydrophobicContact CG-CD1 4.03Å; L79-L83 WeakPolarHBondContact O-CB 3.35Å; L79-L83 PolarHBondContact O-N 3.24Å; R80-L83 PolarHBondContact O-N 3.48Å; L83-Y86 PolarHBondContact O-N 3.28Å; L83-Y87 WeakPolarHBondContact O-CB 3.39Å; L83-Y87 PolarHBondContact O-N 3.48Å |
| 84 | Y | 63 | Low | 54 | Low | 119 Ų | 119 | 112.2 Ų | 112.2 | 47% | 0.467 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.4 | -41.6 | 177.1 | -166.8 | -96.6 | 0 | 0 | 0 | 112.1 | R80 H81 L82 Y87 C88 | R80-Y84 WeakPolarHBondContact O-CB 3.2Å; R80-Y84 PolarHBondContact O-N 2.78Å; H81-Y84 PolarHBondContact O-N 3.05Å; L82-Y84 VanDerWaalsContact C-N 3.3Å; L82-Y84 PolarHBondContact O-N 3.42Å; Y84-Y87 PolarHBondContact O-N 2.84Å; Y84-C88 WeakPolarHBondContact CE1-SG 3.23Å; Y84-C88 PolarHBondContact O-N 3.11Å; Y84-C88 PolarHBondContact O-SG 3.41Å |
| 85 | F | 61.5 | Low | 53.8 | Low | 118 Ų | 118 | 113 Ų | 113 | 52% | 0.518 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.4 | -45 | 175.6 | -170.1 | -93.8 | 0 | 0 | 0 | 111.4 | H81 L82 Y87 C88 Y89 | H81-F85 WeakPolarHBondContact O-CB 3.39Å; H81-F85 PolarHBondContact O-N 3.24Å; L82-F85 PolarHBondContact O-N 3.5Å; F85-Y87 VanDerWaalsContact C-N 3.34Å; F85-Y87 PolarHBondContact O-N 3.18Å; F85-C88 PolarHBondContact O-N 2.95Å; F85-Y89 HydrophobicContact CE1-CD2 4.49Å; F85-Y89 HydrophobicContact CZ-CD2 4.46Å; F85-Y89 WeakPolarHBondContact O-CB 3.35Å; F85-Y89 PolarHBondContact O-N 3.12Å |
| 86 | Y | 58.1 | Low | 53.5 | Low | 125 Ų | 125 | 111.6 Ų | 111.6 | 49% | 0.49 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -56.5 | -47.3 | 172.9 | 177.5 | -95.9 | 0 | 0 | 0 | 111.6 | L82 L83 C88 Y89 F90 | L82-Y86 WeakPolarHBondContact O-CB 3.27Å; L82-Y86 PolarHBondContact O-N 3.41Å; L83-Y86 PolarHBondContact O-N 3.28Å; Y86-C88 PolarHBondContact O-N 3.31Å; Y86-Y89 PolarHBondContact O-N 2.87Å; Y86-F90 AromaticContact CD2-CD2 3.51Å; Y86-F90 HydrophobicContact CD2-CD2 3.51Å; Y86-F90 AromaticContact CD2-CE2 3.78Å; Y86-F90 HydrophobicContact CD2-CE2 3.78Å; Y86-F90 HydrophobicContact CD2-CG 4.48Å; Y86-F90 AromaticContact CE2-CD2 3.51Å; Y86-F90 HydrophobicContact CE2-CD2 3.51Å; Y86-F90 AromaticContact CE2-CE2 3.75Å; Y86-F90 HydrophobicContact CE2-CE2 3.75Å; Y86-F90 HydrophobicContact CE2-CG 4.16Å; Y86-F90 HydrophobicContact CG-CD2 4.23Å; Y86-F90 WeakPolarHBondContact O-CB 3.49Å; Y86-F90 PolarHBondContact O-N 3.3Å |
| 87 | Y | 57.9 | Low | 53.3 | Low | 81 Ų | 81 | 116.6 Ų | 116.6 | 32% | 0.318 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.5 | -43 | 178.1 | -166.5 | -98.1 | 0 | 0 | 0 | 112.1 | L83 Y84 F85 L91 W94 P96 | L83-Y87 WeakPolarHBondContact O-CB 3.39Å; L83-Y87 PolarHBondContact O-N 3.48Å; Y84-Y87 PolarHBondContact O-N 2.84Å; F85-Y87 VanDerWaalsContact C-N 3.34Å; F85-Y87 PolarHBondContact O-N 3.18Å; Y87-L91 HydrophobicContact CD2-CD1 3.57Å; Y87-L91 HydrophobicContact CE2-CD1 3.57Å; Y87-L91 HydrophobicContact CG-CD1 4.39Å; Y87-L91 WeakPolarHBondContact O-CA 3.43Å; Y87-L91 VanDerWaalsContact O-CB 3.32Å; Y87-L91 WeakPolarHBondContact O-CB 3.39Å; Y87-L91 PolarHBondContact O-N 3.5Å; Y87-W94 HydrophobicContact CE1-CB 3.97Å; Y87-W94 VanDerWaalsContact CE1-O 3.3Å; Y87-W94 WeakPolarHBondContact CE1-O 3.15Å; Y87-W94 WeakPolarHBondContact OH-CB 3.47Å; Y87-P96 HydrophobicContact CE1-CG 4.35Å |
| 88 | C | 55.6 | Low | 52.6 | Low | 53 Ų | 53 | 122.5 Ų | 122.5 | 36% | 0.358 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -69.2 | -34.1 | 178.1 | -73.9 | 0 | 0 | 0 | 0 | 113.8 | Y84 F85 Y86 | Y84-C88 WeakPolarHBondContact CE1-SG 3.23Å; Y84-C88 PolarHBondContact O-N 3.11Å; Y84-C88 PolarHBondContact O-SG 3.41Å; F85-C88 PolarHBondContact O-N 2.95Å; Y86-C88 PolarHBondContact O-N 3.31Å |
| 89 | Y | 52.2 | Low | 51.8 | Low | 172 Ų | 172 | 133.4 Ų | 133.4 | 68% | 0.675 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -81.9 | -40 | -176.5 | -157.4 | -94.1 | 0 | 0 | 0 | 112.4 | F85 Y86 | F85-Y89 HydrophobicContact CE1-CD2 4.49Å; F85-Y89 HydrophobicContact CZ-CD2 4.46Å; F85-Y89 WeakPolarHBondContact O-CB 3.35Å; F85-Y89 PolarHBondContact O-N 3.12Å; Y86-Y89 PolarHBondContact O-N 2.87Å |
| 90 | F | 49 | Very low | 51 | Low | 109 Ų | 109 | 135.1 Ų | 135.1 | 48% | 0.478 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -94.6 | -21.5 | -177.3 | -75.2 | -82.9 | 0 | 0 | 0 | 114.5 | W36 Y86 P92 | W36-F90 HydrophobicContact CZ2-CE2 4.45Å; Y86-F90 AromaticContact CD2-CD2 3.51Å; Y86-F90 HydrophobicContact CD2-CD2 3.51Å; Y86-F90 AromaticContact CD2-CE2 3.78Å; Y86-F90 HydrophobicContact CD2-CE2 3.78Å; Y86-F90 HydrophobicContact CD2-CG 4.48Å; Y86-F90 AromaticContact CE2-CD2 3.51Å; Y86-F90 HydrophobicContact CE2-CD2 3.51Å; Y86-F90 AromaticContact CE2-CE2 3.75Å; Y86-F90 HydrophobicContact CE2-CE2 3.75Å; Y86-F90 HydrophobicContact CE2-CG 4.16Å; Y86-F90 HydrophobicContact CG-CD2 4.23Å; Y86-F90 WeakPolarHBondContact O-CB 3.49Å; Y86-F90 PolarHBondContact O-N 3.3Å; F90-P92 VanDerWaalsContact O-CD 3.28Å; F90-P92 WeakPolarHBondContact O-CD 3.37Å |
| 91 | L | 47.9 | Very low | 49.6 | Very low | 71 Ų | 71 | 132 Ų | 132 | 37% | 0.372 | 58% | 0.583 | S | S | . | * | trans | -118.9 | 66.4 | 177.2 | -72.8 | 145.7 | 0 | 0 | 0 | 111.2 | Y87 R93 W94 | Y87-L91 HydrophobicContact CD2-CD1 3.57Å; Y87-L91 HydrophobicContact CE2-CD1 3.57Å; Y87-L91 HydrophobicContact CG-CD1 4.39Å; Y87-L91 WeakPolarHBondContact O-CA 3.43Å; Y87-L91 VanDerWaalsContact O-CB 3.32Å; Y87-L91 WeakPolarHBondContact O-CB 3.39Å; Y87-L91 PolarHBondContact O-N 3.5Å; L91-R93 PolarHBondContact O-N 2.67Å; L91-W94 PolarHBondContact O-N 2.98Å; L91-W94 VanDerWaalsContact O-N 3.12Å | ||
| 92 | P | 48.6 | Very low | 48.4 | Very low | 102 Ų | 102 | 136.4 Ų | 136.4 | 66% | 0.662 | 60% | 0.597 | S | S | * | * | G | 310 helix | trans | -57.9 | -19.4 | 178.8 | 22.6 | -32.2 | 0 | 0 | 0 | 113.1 | F90 | F90-P92 VanDerWaalsContact O-CD 3.28Å; F90-P92 WeakPolarHBondContact O-CD 3.37Å |
| 93 | R | 45.8 | Very low | 47.2 | Very low | 238 Ų | 238 | 143.9 Ų | 143.9 | 90% | 0.898 | 63% | 0.631 | S | S | * | * | G | 310 helix | trans | -80.4 | -9.4 | -179 | -107.9 | -179.7 | 177.7 | 171.5 | -0.5 | 115.9 | L91 | L91-R93 PolarHBondContact O-N 2.67Š|
| 94 | W | 42.4 | Very low | 45.9 | Very low | 170 Ų | 170 | 148.8 Ų | 148.8 | 64% | 0.644 | 64% | 0.642 | S | S | * | * | G | 310 helix | trans | -124.3 | 39.2 | -172.2 | -69.3 | 83.9 | 0 | 0 | 0 | 113.5 | Y87 L91 P96 | Y87-W94 HydrophobicContact CE1-CB 3.97Å; Y87-W94 VanDerWaalsContact CE1-O 3.3Å; Y87-W94 WeakPolarHBondContact CE1-O 3.15Å; Y87-W94 WeakPolarHBondContact OH-CB 3.47Å; L91-W94 PolarHBondContact O-N 2.98Å; L91-W94 VanDerWaalsContact O-N 3.12Å; W94-P96 WeakPolarHBondContact O-CD 3.2Å |
| 95 | K | 45.5 | Very low | 44.5 | Very low | 177 Ų | 177 | 153.3 Ų | 153.3 | 77% | 0.77 | 66% | 0.66 | S | S | * | * | trans | -55.2 | 111 | 168.7 | -80.3 | -174.1 | 178.1 | 179.1 | 0 | 109.5 | R97 | K95-R97 PolarHBondContact O-N 3.33Š| ||
| 96 | P | 41 | Very low | 43.2 | Very low | 64 Ų | 64 | 154.4 Ų | 154.4 | 42% | 0.416 | 67% | 0.666 | S | S | . | * | trans | -73.8 | 117.8 | 174.8 | -3.6 | 21.8 | 0 | 0 | 0 | 106.8 | Y87 W94 R98 | Y87-P96 HydrophobicContact CE1-CG 4.35Å; W94-P96 WeakPolarHBondContact O-CD 3.2Å; P96-R98 PolarHBondContact O-N 2.98Å | ||
| 97 | R | 43.5 | Very low | 42.2 | Very low | 254 Ų | 254 | 153.5 Ų | 153.5 | 96% | 0.958 | 68% | 0.676 | S | S | * | * | trans | -66.7 | 67.5 | 164.8 | -77.6 | -172.7 | -177.5 | -171.3 | 1.7 | 109.9 | K95 | K95-R97 PolarHBondContact O-N 3.33Š| ||
| 98 | R | 41.3 | Very low | 41.2 | Very low | 220 Ų | 220 | 162.9 Ų | 162.9 | 83% | 0.83 | 72% | 0.718 | S | S | * | * | trans | -119.4 | 112 | 168.8 | -71.1 | -162.9 | -170.3 | -170.5 | 5.3 | 109.5 | P96 L100 | P96-R98 PolarHBondContact O-N 2.98Å; R98-L100 PolarHBondContact O-N 3.16Å; R98-L100 VanDerWaalsContact O-N 3.11Å | ||
| 99 | R | 34 | Very low | 40.5 | Very low | 245 Ų | 245 | 168.4 Ų | 168.4 | 93% | 0.925 | 74% | 0.736 | S | S | * | * | trans | -51 | 111.1 | 166.3 | -76 | 177.9 | -126.5 | -164.8 | -0.3 | 107.9 | T101 | R99-T101 PolarHBondContact O-N 2.98Å; R99-T101 VanDerWaalsContact O-N 3.15Å | ||
| 100 | L | 38.8 | Very low | 39.9 | Very low | 116 Ų | 116 | 168.2 Ų | 168.2 | 61% | 0.607 | 74% | 0.739 | S | S | * | * | trans | -70.9 | 102.1 | 166.1 | -83.3 | 154.1 | 0 | 0 | 0 | 107.3 | R98 Y102 | R98-L100 PolarHBondContact O-N 3.16Å; R98-L100 VanDerWaalsContact O-N 3.11Å; L100-Y102 HydrophobicContact CB-CE2 3.98Å; L100-Y102 WeakPolarHBondContact O-CD2 3.04Å; L100-Y102 PolarHBondContact O-N 3.31Å | ||
| 101 | T | 30.6 | Very low | 39.4 | Very low | 130 Ų | 130 | 171.5 Ų | 171.5 | 80% | 0.798 | 75% | 0.754 | S | S | * | * | trans | -68.6 | 109.4 | 162.4 | 18.3 | 0 | 0 | 0 | 0 | 107.9 | R99 H103 | R99-T101 PolarHBondContact O-N 2.98Å; R99-T101 VanDerWaalsContact O-N 3.15Å; T101-H103 PolarHBondContact O-N 3.36Å | ||
| 102 | Y | 34.8 | Very low | 38.9 | Very low | 164 Ų | 164 | 177.4 Ų | 177.4 | 64% | 0.643 | 78% | 0.776 | S | S | * | * | trans | -78.5 | 112 | 173.6 | -74.3 | -89.2 | 0 | 0 | 0 | 109.5 | H54 L100 R104 | H54-Y102 PolarHBondContact CD2-OH 3.4Å; H54-Y102 PolarHBondContact NE2-OH 2.97Å; L100-Y102 HydrophobicContact CB-CE2 3.98Å; L100-Y102 WeakPolarHBondContact O-CD2 3.04Å; L100-Y102 PolarHBondContact O-N 3.31Å; Y102-R104 PolarHBondContact O-N 3.11Å | ||
| 103 | H | 34.7 | Very low | 38.2 | Very low | 186 Ų | 186 | 182.1 Ų | 182.1 | 86% | 0.861 | 78% | 0.783 | S | S | * | * | trans | -71.2 | 108.7 | 158.4 | -88 | -78.9 | 0 | 0 | 0 | 108.1 | T101 Y105 | T101-H103 PolarHBondContact O-N 3.36Å; H103-Y105 PolarHBondContact O-N 3.24Å; H103-Y105 VanDerWaalsContact O-N 3.11Å | ||
| 104 | R | 38.8 | Very low | 37.7 | Very low | 211 Ų | 211 | 178.4 Ų | 178.4 | 80% | 0.796 | 78% | 0.776 | S | S | * | * | trans | -63 | 106.3 | 170.2 | -169.3 | -177.6 | -76.6 | -179 | -5.3 | 107.8 | Y102 H106 | Y102-R104 PolarHBondContact O-N 3.11Å; R104-H106 VanDerWaalsContact CD-NE2 3.34Å; R104-H106 WeakPolarHBondContact CD-NE2 3.34Å; R104-H106 PolarHBondContact O-N 3.18Å | ||
| 105 | Y | 32.5 | Very low | 37.4 | Very low | 214 Ų | 214 | 179 Ų | 179 | 84% | 0.839 | 79% | 0.785 | S | S | * | * | trans | -73.6 | 102.4 | 170 | -153.8 | -92 | 0 | 0 | 0 | 107.1 | H103 P107 | H103-Y105 PolarHBondContact O-N 3.24Å; H103-Y105 VanDerWaalsContact O-N 3.11Å; Y105-P107 WeakPolarHBondContact O-CD 3.38Å | ||
| 106 | H | 33.7 | Very low | 36.8 | Very low | 141 Ų | 141 | 179.2 Ų | 179.2 | 65% | 0.653 | 79% | 0.786 | S | S | * | * | trans | -85.7 | 112.7 | 166.3 | -96.3 | -85.5 | 0 | 0 | 0 | 107.3 | R104 K108 | R104-H106 VanDerWaalsContact CD-NE2 3.34Å; R104-H106 WeakPolarHBondContact CD-NE2 3.34Å; R104-H106 PolarHBondContact O-N 3.18Å; H106-K108 PolarHBondContact O-N 3.33Å | ||
| 107 | P | 37.6 | Very low | 36.4 | Very low | 106 Ų | 106 | 188.8 Ų | 188.8 | 69% | 0.688 | 82% | 0.817 | S | S | * | * | trans | -63.2 | 126.2 | 164 | 27.1 | -29.8 | 0 | 0 | 0 | 107.7 | Y105 | Y105-P107 WeakPolarHBondContact O-CD 3.38Š| ||
| 108 | K | 37.1 | Very low | 35.8 | Very low | 278 Ų | 278 | 182.8 Ų | 182.8 | 100% | 1.209 | 80% | 0.804 | S | S | * | * | trans | -79.2 | 0 | 164.2 | -78.8 | -173.1 | 176.6 | -178.5 | 0 | 109.4 | H106 | H106-K108 PolarHBondContact O-N 3.33Š|
Retrieved 108 of 108 residues in 21.2 ms
(Link to these results)