| 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 | 45.7 | Very low | 46.7 | Very low | 249 Ų | 249 | 140.2 Ų | 140.2 | 100% | 1.227 | 84% | 0.835 | S | S | * | * | 0 | 99.6 | 0 | -166.8 | 109.2 | 113.2 | 0 | 0 | 108.4 | |||||
| 2 | S | 41.2 | Very low | 47.5 | Very low | 116 Ų | 116 | 144.1 Ų | 144.1 | 81% | 0.811 | 84% | 0.838 | S | S | * | * | trans | -177.2 | 92.8 | 132 | -158.1 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 3 | E | 46.9 | Very low | 48.4 | Very low | 196 Ų | 196 | 137.3 Ų | 137.3 | 92% | 0.916 | 82% | 0.818 | S | S | * | * | trans | -56 | 150.4 | 146.9 | -81.4 | 156.7 | 94 | 0 | 0 | 108.9 | ||||
| 4 | G | 49.5 | Very low | 49.2 | Very low | 71 Ų | 71 | 141 Ų | 141 | 73% | 0.732 | 82% | 0.818 | S | S | * | * | trans | 167.8 | 87.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 5 | D | 44.7 | Very low | 49.9 | Very low | 165 Ų | 165 | 135.8 Ų | 135.8 | 88% | 0.882 | 79% | 0.791 | S | S | * | * | trans | 77.6 | 84.9 | 147.9 | -62.6 | -9.9 | 0 | 0 | 0 | 120.6 | ||||
| 6 | S | 51.4 | Low | 51.5 | Low | 96 Ų | 96 | 131.6 Ų | 131.6 | 67% | 0.671 | 77% | 0.771 | S | S | * | * | trans | -67.5 | 155.2 | 134.1 | 61.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 7 | I | 48.9 | Very low | 52.8 | Low | 170 Ų | 170 | 133.4 Ų | 133.4 | 87% | 0.872 | 77% | 0.773 | S | S | * | * | trans | 98.7 | 93.9 | 159.4 | -51.3 | 158.4 | 0 | 0 | 0 | 114.8 | ||||
| 8 | G | 43.4 | Very low | 54.2 | Low | 73 Ų | 73 | 130.8 Ų | 130.8 | 75% | 0.753 | 76% | 0.759 | S | S | * | * | trans | -158.9 | 34.8 | 166 | 0 | 0 | 0 | 0 | 0 | 112.1 | S10 | G8-S10 PolarHBondContact O-N 3.45Š| ||
| 9 | E | 44.3 | Very low | 55.6 | Low | 175 Ų | 175 | 131.7 Ų | 131.7 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | trans | -66.4 | 100.8 | 173 | -148.8 | -177.9 | 162.4 | 0 | 0 | 108 | V11 | E9-V11 PolarHBondContact O-N 2.97Š| ||
| 10 | S | 49.3 | Very low | 56.7 | Low | 114 Ų | 114 | 131.9 Ų | 131.9 | 80% | 0.797 | 74% | 0.738 | S | S | * | * | trans | -73.2 | 81.2 | 176.1 | 44.9 | 0 | 0 | 0 | 0 | 109.3 | G8 H12 | G8-S10 PolarHBondContact O-N 3.45Å; S10-H12 PolarHBondContact O-N 3.03Å | ||
| 11 | V | 48.7 | Very low | 57.9 | Low | 117 Ų | 117 | 131.6 Ų | 131.6 | 71% | 0.709 | 73% | 0.729 | S | S | * | * | trans | -67.5 | 82.7 | 167.8 | -177.7 | 0 | 0 | 0 | 0 | 107.9 | E9 G13 | E9-V11 PolarHBondContact O-N 2.97Å; V11-G13 PolarHBondContact O-N 2.84Å | ||
| 12 | H | 55.9 | Low | 59.6 | Low | 187 Ų | 187 | 126.1 Ų | 126.1 | 87% | 0.866 | 70% | 0.699 | S | S | * | * | trans | -74.4 | 80.6 | 165.8 | -138.1 | 37.3 | 0 | 0 | 0 | 107.5 | S10 K14 | S10-H12 PolarHBondContact O-N 3.03Å; H12-K14 PolarHBondContact O-N 3.11Å; H12-K14 VanDerWaalsContact O-N 3.15Å | ||
| 13 | G | 58.6 | Low | 61.5 | Low | 56 Ų | 56 | 123.2 Ų | 123.2 | 58% | 0.577 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 119.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110 | V11 | V11-G13 PolarHBondContact O-N 2.84Š|
| 14 | K | 60.8 | Low | 63.1 | Low | 189 Ų | 189 | 122.3 Ų | 122.3 | 82% | 0.822 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -46.4 | 126.5 | 175.2 | -66.2 | 173.4 | -179.2 | 172.2 | 0 | 108.3 | H12 S16 | H12-K14 PolarHBondContact O-N 3.11Å; H12-K14 VanDerWaalsContact O-N 3.15Å; K14-S16 PolarHBondContact O-N 3.1Å; K14-S16 VanDerWaalsContact O-N 3.11Å |
| 15 | P | 58.6 | Low | 64.7 | Low | 63 Ų | 63 | 122.8 Ų | 122.8 | 41% | 0.409 | 65% | 0.649 | S | S | . | * | P | Polyproline II helix | trans | -59.5 | 125.1 | -177.3 | 17.1 | -26.9 | 0 | 0 | 0 | 109.1 | Y19 R20 | P15-Y19 HydrophobicContact CB-CD1 3.84Å; P15-Y19 HydrophobicContact CB-CE1 4.39Å; P15-R20 HydrophobicContact CB-CG 4.45Å; P15-R20 PolarHBondContact O-NE 3.39Å; P15-R20 VanDerWaalsContact O-NE 3.1Å |
| 16 | S | 75.5 | Confident | 66.4 | Low | 68 Ų | 68 | 116.6 Ų | 116.6 | 48% | 0.476 | 63% | 0.625 | S | S | . | * | trans | -44.2 | 139.4 | -177.5 | 168.8 | 0 | 0 | 0 | 0 | 111.4 | K14 V18 Y19 R20 | K14-S16 PolarHBondContact O-N 3.1Å; K14-S16 VanDerWaalsContact O-N 3.11Å; S16-V18 PolarHBondContact O-N 3.35Å; S16-V18 VanDerWaalsContact O-N 3.1Å; S16-V18 PolarHBondContact OG-N 2.97Å; S16-Y19 WeakPolarHBondContact O-CA 3.35Å; S16-Y19 WeakPolarHBondContact O-CB 3.45Å; S16-Y19 PolarHBondContact O-N 2.88Å; S16-R20 PolarHBondContact O-N 3.1Å | ||
| 17 | M | 74.1 | Confident | 67.9 | Low | 163 Ų | 163 | 118.2 Ų | 118.2 | 80% | 0.803 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -53.3 | -33.6 | 177 | -172.4 | 175.5 | -71.7 | 0 | 0 | 111.7 | R20 F21 | M17-R20 PolarHBondContact O-N 3.2Å; M17-F21 WeakPolarHBondContact O-CB 3.28Å; M17-F21 PolarHBondContact O-N 2.63Å |
| 18 | V | 77.8 | Confident | 69.4 | Low | 87 Ų | 87 | 115.8 Ų | 115.8 | 53% | 0.527 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -65.3 | -47 | 174 | -178.7 | 0 | 0 | 0 | 0 | 110.9 | S16 R20 F21 F22 | S16-V18 PolarHBondContact O-N 3.35Å; S16-V18 VanDerWaalsContact O-N 3.1Å; S16-V18 PolarHBondContact OG-N 2.97Å; V18-R20 VanDerWaalsContact C-N 3.33Å; V18-R20 PolarHBondContact O-N 3.41Å; V18-F21 PolarHBondContact O-N 2.91Å; V18-F22 HydrophobicContact CG1-CD2 3.56Å; V18-F22 HydrophobicContact CG1-CE2 3.31Å; V18-F22 WeakPolarHBondContact O-CD2 3.42Å; V18-F22 PolarHBondContact O-N 3.48Å |
| 19 | Y | 80.5 | Confident | 71.3 | Confident | 147 Ų | 147 | 117.9 Ų | 117.9 | 58% | 0.576 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -59.5 | -43.8 | 175.6 | 179.2 | -93.3 | 0 | 0 | 0 | 111.7 | P15 S16 F21 F22 T23 | P15-Y19 HydrophobicContact CB-CD1 3.84Å; P15-Y19 HydrophobicContact CB-CE1 4.39Å; S16-Y19 WeakPolarHBondContact O-CA 3.35Å; S16-Y19 WeakPolarHBondContact O-CB 3.45Å; S16-Y19 PolarHBondContact O-N 2.88Å; Y19-F21 VanDerWaalsContact C-N 3.34Å; Y19-F21 PolarHBondContact O-N 3.29Å; Y19-F22 PolarHBondContact O-N 3.2Å; Y19-T23 HydrophobicContact CE1-CG2 4.15Å; Y19-T23 PolarHBondContact O-N 3.02Å; Y19-T23 PolarHBondContact O-OG1 2.96Å |
| 20 | R | 78.4 | Confident | 73 | Confident | 136 Ų | 136 | 114.3 Ų | 114.3 | 51% | 0.513 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63.4 | -37.7 | 176.6 | -65.5 | -178 | -175.9 | -149.9 | -8.1 | 112.5 | P15 S16 M17 V18 T23 R24 | P15-R20 HydrophobicContact CB-CG 4.45Å; P15-R20 PolarHBondContact O-NE 3.39Å; P15-R20 VanDerWaalsContact O-NE 3.1Å; S16-R20 PolarHBondContact O-N 3.1Å; M17-R20 PolarHBondContact O-N 3.2Å; V18-R20 VanDerWaalsContact C-N 3.33Å; V18-R20 PolarHBondContact O-N 3.41Å; R20-T23 VanDerWaalsContact CA-OG1 3.26Å; R20-T23 WeakPolarHBondContact CA-OG1 3.32Å; R20-T23 PolarHBondContact O-OG1 3.35Å; R20-R24 WeakPolarHBondContact O-CB 3.22Å; R20-R24 WeakPolarHBondContact O-CG 3.33Å; R20-R24 PolarHBondContact O-N 2.88Å |
| 21 | F | 81.7 | Confident | 74.4 | Confident | 125 Ų | 125 | 112.5 Ų | 112.5 | 55% | 0.548 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -68.2 | -46.1 | 175.7 | -175.6 | -102.3 | 0 | 0 | 0 | 111.7 | M17 V18 Y19 T23 R24 L25 | M17-F21 WeakPolarHBondContact O-CB 3.28Å; M17-F21 PolarHBondContact O-N 2.63Å; V18-F21 PolarHBondContact O-N 2.91Å; Y19-F21 VanDerWaalsContact C-N 3.34Å; Y19-F21 PolarHBondContact O-N 3.29Å; F21-T23 VanDerWaalsContact C-N 3.33Å; F21-T23 PolarHBondContact O-N 2.9Å; F21-R24 PolarHBondContact O-N 2.88Å; F21-L25 HydrophobicContact CD1-CD1 3.73Å; F21-L25 HydrophobicContact CD1-CG 4.29Å; F21-L25 HydrophobicContact CE1-CD1 3.24Å; F21-L25 HydrophobicContact CE1-CG 3.97Å; F21-L25 HydrophobicContact CZ-CD1 3.77Å; F21-L25 HydrophobicContact CZ-CD2 4.39Å; F21-L25 HydrophobicContact CZ-CG 4.12Å; F21-L25 PolarHBondContact O-N 3.24Å |
| 22 | F | 82.1 | Confident | 75.8 | Confident | 135 Ų | 135 | 115.1 Ų | 115.1 | 59% | 0.592 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -62.3 | -38 | 174.7 | -79.4 | -66.9 | 0 | 0 | 0 | 112.6 | V18 Y19 G26 | V18-F22 HydrophobicContact CG1-CD2 3.56Å; V18-F22 HydrophobicContact CG1-CE2 3.31Å; V18-F22 WeakPolarHBondContact O-CD2 3.42Å; V18-F22 PolarHBondContact O-N 3.48Å; Y19-F22 PolarHBondContact O-N 3.2Å; F22-G26 PolarHBondContact O-N 3.44Å |
| 23 | T | 80.5 | Confident | 76.9 | Confident | 54 Ų | 54 | 106.7 Ų | 106.7 | 33% | 0.331 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.3 | -41.8 | 174.4 | 20 | 0 | 0 | 0 | 0 | 111.7 | Y19 R20 F21 G26 Q27 | Y19-T23 HydrophobicContact CE1-CG2 4.15Å; Y19-T23 PolarHBondContact O-N 3.02Å; Y19-T23 PolarHBondContact O-OG1 2.96Å; R20-T23 VanDerWaalsContact CA-OG1 3.26Å; R20-T23 WeakPolarHBondContact CA-OG1 3.32Å; R20-T23 PolarHBondContact O-OG1 3.35Å; F21-T23 VanDerWaalsContact C-N 3.33Å; F21-T23 PolarHBondContact O-N 2.9Å; T23-G26 PolarHBondContact O-N 3.47Å; T23-Q27 WeakPolarHBondContact O-CB 3.26Å; T23-Q27 VanDerWaalsContact O-CG 3.23Å; T23-Q27 WeakPolarHBondContact O-CG 3.49Å; T23-Q27 PolarHBondContact O-N 3.33Å |
| 24 | R | 81.1 | Confident | 78 | Confident | 178 Ų | 178 | 108.2 Ų | 108.2 | 67% | 0.672 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.3 | -43.6 | 175.4 | -76.8 | -178.5 | 177.1 | -172.6 | -0.9 | 112.7 | R20 F21 G26 Q27 L28 | R20-R24 WeakPolarHBondContact O-CB 3.22Å; R20-R24 WeakPolarHBondContact O-CG 3.33Å; R20-R24 PolarHBondContact O-N 2.88Å; F21-R24 PolarHBondContact O-N 2.88Å; R24-G26 VanDerWaalsContact C-N 3.34Å; R24-Q27 PolarHBondContact O-N 2.88Å; R24-L28 WeakPolarHBondContact O-CG 3.34Å; R24-L28 PolarHBondContact O-N 2.88Å |
| 25 | L | 82.3 | Confident | 78.8 | Confident | 80 Ų | 80 | 106.9 Ų | 106.9 | 42% | 0.419 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.1 | -42.6 | 174.3 | -76.7 | -179.9 | 0 | 0 | 0 | 111.7 | F21 Q27 L28 Y29 | F21-L25 HydrophobicContact CD1-CD1 3.73Å; F21-L25 HydrophobicContact CD1-CG 4.29Å; F21-L25 HydrophobicContact CE1-CD1 3.24Å; F21-L25 HydrophobicContact CE1-CG 3.97Å; F21-L25 HydrophobicContact CZ-CD1 3.77Å; F21-L25 HydrophobicContact CZ-CD2 4.39Å; F21-L25 HydrophobicContact CZ-CG 4.12Å; F21-L25 PolarHBondContact O-N 3.24Å; L25-Q27 VanDerWaalsContact C-N 3.33Å; L25-Q27 PolarHBondContact O-N 3.43Å; L25-L28 PolarHBondContact O-N 2.88Å; L25-Y29 VanDerWaalsContact O-CB 3.26Å; L25-Y29 WeakPolarHBondContact O-CB 3.23Å; L25-Y29 PolarHBondContact O-N 2.89Å |
| 26 | G | 79.9 | Confident | 79.7 | Confident | 36 Ų | 36 | 104.9 Ų | 104.9 | 37% | 0.371 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.1 | -42.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | F22 T23 R24 Y29 Q30 | F22-G26 PolarHBondContact O-N 3.44Å; T23-G26 PolarHBondContact O-N 3.47Å; R24-G26 VanDerWaalsContact C-N 3.34Å; G26-Y29 PolarHBondContact O-N 2.94Å; G26-Q30 VanDerWaalsContact O-CB 3.28Å; G26-Q30 WeakPolarHBondContact O-CB 3.41Å; G26-Q30 PolarHBondContact O-N 3.05Å |
| 27 | Q | 82.9 | Confident | 79.8 | Confident | 129 Ų | 129 | 104.8 Ų | 104.8 | 60% | 0.603 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65.2 | -42.9 | 176.9 | -74.4 | 169.1 | -14.9 | 0 | 0 | 112.6 | T23 R24 L25 Q30 S31 | T23-Q27 WeakPolarHBondContact O-CB 3.26Å; T23-Q27 VanDerWaalsContact O-CG 3.23Å; T23-Q27 WeakPolarHBondContact O-CG 3.49Å; T23-Q27 PolarHBondContact O-N 3.33Å; R24-Q27 PolarHBondContact O-N 2.88Å; L25-Q27 VanDerWaalsContact C-N 3.33Å; L25-Q27 PolarHBondContact O-N 3.43Å; Q27-Q30 PolarHBondContact O-N 3.35Å; Q27-S31 WeakPolarHBondContact O-CB 3.26Å; Q27-S31 PolarHBondContact O-N 2.96Å |
| 28 | L | 82 | Confident | 80.3 | Confident | 119 Ų | 119 | 101.5 Ų | 101.5 | 62% | 0.623 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -65.4 | -43.6 | 176.4 | -72.4 | 170.5 | 0 | 0 | 0 | 111.7 | R24 L25 Q30 S31 W32 | R24-L28 WeakPolarHBondContact O-CG 3.34Å; R24-L28 PolarHBondContact O-N 2.88Å; L25-L28 PolarHBondContact O-N 2.88Å; L28-Q30 VanDerWaalsContact C-N 3.35Å; L28-S31 PolarHBondContact O-N 3.2Å; L28-W32 WeakPolarHBondContact O-CB 3.13Å; L28-W32 PolarHBondContact O-N 3.47Å |
| 29 | Y | 81.6 | Confident | 80.6 | Confident | 118 Ų | 118 | 104.2 Ų | 104.2 | 46% | 0.463 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.6 | -44.5 | 176.1 | -178.8 | -111.9 | 0 | 0 | 0 | 111.5 | L25 G26 W32 L33 H123 | L25-Y29 VanDerWaalsContact O-CB 3.26Å; L25-Y29 WeakPolarHBondContact O-CB 3.23Å; L25-Y29 PolarHBondContact O-N 2.89Å; G26-Y29 PolarHBondContact O-N 2.94Å; Y29-W32 PolarHBondContact O-N 3.32Å; Y29-L33 HydrophobicContact CD1-CD1 3.76Å; Y29-L33 HydrophobicContact CD1-CG 4.49Å; Y29-L33 HydrophobicContact CE1-CD1 3.45Å; Y29-L33 VanDerWaalsContact CE1-CD1 3.45Å; Y29-L33 HydrophobicContact CE1-CG 4.29Å; Y29-L33 HydrophobicContact CG-CD1 4.45Å; Y29-L33 WeakPolarHBondContact O-CB 3.47Å; Y29-L33 VanDerWaalsContact O-CG 3.31Å; Y29-L33 WeakPolarHBondContact O-CG 3.38Å; Y29-L33 PolarHBondContact O-N 3.34Å; Y29-H123 AromaticContact CZ-NE2 3.69Å; Y29-H123 PolarHBondContact OH-CE1 3.37Å; Y29-H123 PolarHBondContact OH-NE2 3.44Å |
| 30 | Q | 81.2 | Confident | 80.8 | Confident | 99 Ų | 99 | 99.7 Ų | 99.7 | 46% | 0.463 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.9 | -43.7 | 176 | -165.4 | 64.8 | 37.5 | 0 | 0 | 111.5 | G26 Q27 L28 W32 L33 D34 | G26-Q30 VanDerWaalsContact O-CB 3.28Å; G26-Q30 WeakPolarHBondContact O-CB 3.41Å; G26-Q30 PolarHBondContact O-N 3.05Å; Q27-Q30 PolarHBondContact O-N 3.35Å; L28-Q30 VanDerWaalsContact C-N 3.35Å; Q30-W32 VanDerWaalsContact C-N 3.32Å; Q30-W32 PolarHBondContact O-N 3.4Å; Q30-L33 WeakPolarHBondContact O-CB 3.35Å; Q30-L33 PolarHBondContact O-N 2.99Å; Q30-D34 PolarHBondContact NE2-OD1 2.94Å; Q30-D34 PolarHBondContact O-N 3.22Å |
| 31 | S | 79.4 | Confident | 81.1 | Confident | 76 Ų | 76 | 96.6 Ų | 96.6 | 53% | 0.531 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.6 | -40.5 | 176.2 | -178.7 | 0 | 0 | 0 | 0 | 112.5 | Q27 L28 D34 K35 | Q27-S31 WeakPolarHBondContact O-CB 3.26Å; Q27-S31 PolarHBondContact O-N 2.96Å; L28-S31 PolarHBondContact O-N 3.2Å; S31-D34 PolarHBondContact O-N 3.39Å; S31-K35 PolarHBondContact O-N 2.81Å |
| 32 | W | 77.3 | Confident | 81.5 | Confident | 172 Ų | 172 | 94.6 Ų | 94.6 | 65% | 0.652 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -69 | -37.9 | 176.9 | -163.1 | 82.4 | 0 | 0 | 0 | 112.5 | L28 Y29 Q30 K35 S36 | L28-W32 WeakPolarHBondContact O-CB 3.13Å; L28-W32 PolarHBondContact O-N 3.47Å; Y29-W32 PolarHBondContact O-N 3.32Å; Q30-W32 VanDerWaalsContact C-N 3.32Å; Q30-W32 PolarHBondContact O-N 3.4Å; W32-K35 PolarHBondContact O-N 3.45Å; W32-S36 PolarHBondContact O-N 2.86Å; W32-S36 PolarHBondContact O-OG 3.25Å |
| 33 | L | 79.3 | Confident | 81.9 | Confident | 11 Ų | 11 | 88.9 Ų | 88.9 | 6% | 0.058 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -61.4 | -46.8 | 171.6 | -75.2 | 174.4 | 0 | 0 | 0 | 111.3 | Y29 Q30 K35 S36 T37 F119 H123 | Y29-L33 HydrophobicContact CD1-CD1 3.76Å; Y29-L33 HydrophobicContact CD1-CG 4.49Å; Y29-L33 HydrophobicContact CE1-CD1 3.45Å; Y29-L33 VanDerWaalsContact CE1-CD1 3.45Å; Y29-L33 HydrophobicContact CE1-CG 4.29Å; Y29-L33 HydrophobicContact CG-CD1 4.45Å; Y29-L33 WeakPolarHBondContact O-CB 3.47Å; Y29-L33 VanDerWaalsContact O-CG 3.31Å; Y29-L33 WeakPolarHBondContact O-CG 3.38Å; Y29-L33 PolarHBondContact O-N 3.34Å; Q30-L33 WeakPolarHBondContact O-CB 3.35Å; Q30-L33 PolarHBondContact O-N 2.99Å; L33-K35 VanDerWaalsContact C-N 3.28Å; L33-K35 PolarHBondContact O-N 2.9Å; L33-S36 WeakPolarHBondContact O-CB 3.48Å; L33-S36 PolarHBondContact O-N 3.34Å; L33-T37 PolarHBondContact O-N 3.37Å; L33-T37 PolarHBondContact O-OG1 3.32Å; L33-F119 HydrophobicContact CB-CE1 4.29Å; L33-F119 HydrophobicContact CB-CZ 3.95Å; L33-F119 HydrophobicContact CD2-CE1 4.35Å; L33-F119 HydrophobicContact CD2-CZ 3.99Å; L33-F119 WeakPolarHBondContact O-CZ 3.28Å; L33-H123 VanDerWaalsContact CD2-CD2 3.48Å; L33-H123 WeakPolarHBondContact CD2-CD2 3.41Å |
| 34 | D | 80.5 | Confident | 82.4 | Confident | 88 Ų | 88 | 90 Ų | 90 | 47% | 0.471 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -61.8 | -38.5 | -179.8 | -65.1 | -19.2 | 0 | 0 | 0 | 111.1 | Q30 S31 S36 T37 | Q30-D34 PolarHBondContact NE2-OD1 2.94Å; Q30-D34 PolarHBondContact O-N 3.22Å; S31-D34 PolarHBondContact O-N 3.39Å; D34-S36 VanDerWaalsContact C-N 3.26Å; D34-S36 PolarHBondContact O-N 2.98Å; D34-T37 WeakPolarHBondContact CA-OG1 3.31Å; D34-T37 WeakPolarHBondContact O-CB 3.49Å; D34-T37 PolarHBondContact O-N 3.49Å; D34-T37 PolarHBondContact O-OG1 3.35Å |
| 35 | K | 78.9 | Confident | 82.9 | Confident | 160 Ų | 160 | 87.1 Ų | 87.1 | 70% | 0.696 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -65.8 | -25.3 | 174.5 | -166.7 | 170.4 | -176.1 | 175.2 | 0 | 113.7 | S31 W32 L33 P38 | S31-K35 PolarHBondContact O-N 2.81Å; W32-K35 PolarHBondContact O-N 3.45Å; L33-K35 VanDerWaalsContact C-N 3.28Å; L33-K35 PolarHBondContact O-N 2.9Å; K35-P38 WeakPolarHBondContact O-CD 3.3Å |
| 36 | S | 77.1 | Confident | 83.5 | Confident | 21 Ų | 21 | 86.7 Ų | 86.7 | 15% | 0.147 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -86.4 | -10.5 | 179.2 | -58.4 | 0 | 0 | 0 | 0 | 113.3 | W32 L33 D34 P38 Y39 R43 | W32-S36 PolarHBondContact O-N 2.86Å; W32-S36 PolarHBondContact O-OG 3.25Å; L33-S36 WeakPolarHBondContact O-CB 3.48Å; L33-S36 PolarHBondContact O-N 3.34Å; D34-S36 VanDerWaalsContact C-N 3.26Å; D34-S36 PolarHBondContact O-N 2.98Å; S36-P38 VanDerWaalsContact C-CD 3.46Å; S36-Y39 PolarHBondContact O-N 3.16Å; S36-R43 VanDerWaalsContact O-CD 3.3Å; S36-R43 WeakPolarHBondContact O-CD 3.41Å; S36-R43 PolarHBondContact O-NE 2.65Å |
| 37 | T | 77.6 | Confident | 84.1 | Confident | 66 Ų | 66 | 85.4 Ų | 85.4 | 41% | 0.405 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.8 | -48.3 | -179.9 | -52 | 0 | 0 | 0 | 0 | 114.7 | L33 D34 Y39 R43 | L33-T37 PolarHBondContact O-N 3.37Å; L33-T37 PolarHBondContact O-OG1 3.32Å; D34-T37 WeakPolarHBondContact CA-OG1 3.31Å; D34-T37 WeakPolarHBondContact O-CB 3.49Å; D34-T37 PolarHBondContact O-N 3.49Å; D34-T37 PolarHBondContact O-OG1 3.35Å; T37-Y39 VanDerWaalsContact C-N 3.3Å; T37-Y39 PolarHBondContact O-N 3.12Å; T37-R43 PolarHBondContact O-NH2 3.42Å |
| 38 | P | 84.3 | Confident | 84.7 | Confident | 94 Ų | 94 | 84.7 Ų | 84.7 | 61% | 0.61 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -21.2 | -173.3 | 28.3 | -34.3 | 0 | 0 | 0 | 113.6 | K35 S36 T40 | K35-P38 WeakPolarHBondContact O-CD 3.3Å; S36-P38 VanDerWaalsContact C-CD 3.46Å; P38-T40 VanDerWaalsContact C-N 3.29Å; P38-T40 PolarHBondContact O-N 3.16Å |
| 39 | Y | 84.7 | Confident | 85.4 | Confident | 144 Ų | 144 | 80.6 Ų | 80.6 | 57% | 0.565 | 42% | 0.421 | S | S | * | . | trans | -89.1 | 55.9 | -171.9 | -57.9 | -71.4 | 0 | 0 | 0 | 112.9 | S36 T37 A41 V42 R43 | S36-Y39 PolarHBondContact O-N 3.16Å; T37-Y39 VanDerWaalsContact C-N 3.3Å; T37-Y39 PolarHBondContact O-N 3.12Å; Y39-A41 PolarHBondContact O-N 3.45Å; Y39-V42 PolarHBondContact O-N 3.42Å; Y39-R43 WeakPolarHBondContact O-CB 3.43Å; Y39-R43 VanDerWaalsContact O-CG 3.28Å; Y39-R43 WeakPolarHBondContact O-CG 3.28Å; Y39-R43 PolarHBondContact O-N 3.05Å | ||
| 40 | T | 84.1 | Confident | 86 | Confident | 52 Ų | 52 | 77.3 Ų | 77.3 | 32% | 0.319 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -56 | -47 | -176.5 | -58.6 | 0 | 0 | 0 | 0 | 113.1 | P38 V42 R43 W44 E118 | P38-T40 VanDerWaalsContact C-N 3.29Å; P38-T40 PolarHBondContact O-N 3.16Å; T40-V42 PolarHBondContact O-N 3.28Å; T40-R43 WeakPolarHBondContact O-CB 3.29Å; T40-R43 PolarHBondContact O-N 2.93Å; T40-R43 PolarHBondContact OG1-NH2 3.15Å; T40-W44 PolarHBondContact O-N 3.37Å; T40-W44 VanDerWaalsContact O-N 3.13Å; T40-E118 WeakPolarHBondContact CG2-OE1 3.36Å |
| 41 | A | 85.7 | Confident | 86.7 | Confident | 71 Ų | 71 | 74.2 Ų | 74.2 | 59% | 0.587 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -61.3 | -48 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y39 R43 W44 I45 | Y39-A41 PolarHBondContact O-N 3.45Å; A41-R43 VanDerWaalsContact C-N 3.33Å; A41-R43 PolarHBondContact O-N 3.42Å; A41-W44 PolarHBondContact O-N 3.21Å; A41-I45 VanDerWaalsContact O-CG1 3.25Å; A41-I45 WeakPolarHBondContact O-CG1 3.39Å; A41-I45 PolarHBondContact O-N 3.09Å |
| 42 | V | 88.5 | Confident | 87.5 | Confident | 83 Ų | 83 | 77.3 Ų | 77.3 | 50% | 0.503 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61 | -44.2 | 179.5 | -179.2 | 0 | 0 | 0 | 0 | 110.8 | Y39 T40 W44 I45 V46 | Y39-V42 PolarHBondContact O-N 3.42Å; T40-V42 PolarHBondContact O-N 3.28Å; V42-W44 VanDerWaalsContact C-N 3.34Å; V42-W44 PolarHBondContact O-N 2.87Å; V42-I45 PolarHBondContact O-N 3.32Å; V42-V46 HydrophobicContact CG1-CG2 4.35Å; V42-V46 VanDerWaalsContact O-CG2 3.31Å; V42-V46 WeakPolarHBondContact O-CG2 3.41Å; V42-V46 PolarHBondContact O-N 3.45Å |
| 43 | R | 90.4 | Very high | 88.4 | Confident | 16 Ų | 16 | 73.7 Ų | 73.7 | 6% | 0.06 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -53.4 | -51 | 176.4 | -80 | -167.4 | -63.1 | 122.3 | 0.3 | 111.4 | S36 T37 Y39 T40 A41 V46 T47 W122 | S36-R43 VanDerWaalsContact O-CD 3.3Å; S36-R43 WeakPolarHBondContact O-CD 3.41Å; S36-R43 PolarHBondContact O-NE 2.65Å; T37-R43 PolarHBondContact O-NH2 3.42Å; Y39-R43 WeakPolarHBondContact O-CB 3.43Å; Y39-R43 VanDerWaalsContact O-CG 3.28Å; Y39-R43 WeakPolarHBondContact O-CG 3.28Å; Y39-R43 PolarHBondContact O-N 3.05Å; T40-R43 WeakPolarHBondContact O-CB 3.29Å; T40-R43 PolarHBondContact O-N 2.93Å; T40-R43 PolarHBondContact OG1-NH2 3.15Å; A41-R43 VanDerWaalsContact C-N 3.33Å; A41-R43 PolarHBondContact O-N 3.42Å; R43-V46 PolarHBondContact O-N 2.92Å; R43-T47 PolarHBondContact O-N 2.92Å; R43-T47 VanDerWaalsContact O-N 3.07Å; R43-T47 PolarHBondContact O-OG1 3.07Å; R43-T47 VanDerWaalsContact O-OG1 3.1Å; R43-W122 HydrophobicContact CB-CD2 3.97Å; R43-W122 VanDerWaalsContact CB-CE2 3.43Å; R43-W122 HydrophobicContact CB-CG 4.28Å; R43-W122 HydrophobicContact CB-CH2 4.44Å; R43-W122 HydrophobicContact CB-CZ2 3.71Å; R43-W122 HydrophobicContact CG-CD2 4.17Å; R43-W122 HydrophobicContact CG-CE3 4.41Å; R43-W122 HydrophobicContact CG-CH2 3.8Å; R43-W122 HydrophobicContact CG-CZ2 3.52Å; R43-W122 HydrophobicContact CG-CZ3 4.23Å; R43-W122 PolarHBondContact O-NE1 3.27Å |
| 44 | W | 91 | Very high | 89.2 | Confident | 77 Ų | 77 | 73.2 Ų | 73.2 | 29% | 0.292 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -69.6 | -38.7 | -180 | -74.5 | 110 | 0 | 0 | 0 | 113.3 | T40 A41 V42 V46 T47 L48 E118 F121 W122 | T40-W44 PolarHBondContact O-N 3.37Å; T40-W44 VanDerWaalsContact O-N 3.13Å; A41-W44 PolarHBondContact O-N 3.21Å; V42-W44 VanDerWaalsContact C-N 3.34Å; V42-W44 PolarHBondContact O-N 2.87Å; W44-V46 VanDerWaalsContact C-N 3.32Å; W44-V46 PolarHBondContact O-N 3.29Å; W44-T47 PolarHBondContact O-N 3.27Å; W44-L48 WeakPolarHBondContact O-CB 3.46Å; W44-L48 VanDerWaalsContact O-CG 3.27Å; W44-L48 WeakPolarHBondContact O-CG 3.42Å; W44-L48 PolarHBondContact O-N 3.44Å; W44-E118 HydrophobicContact CZ2-CG 4.15Å; W44-E118 PolarHBondContact NE1-OE1 3.29Å; W44-F121 AromaticContact CH2-CD1 3.41Å; W44-F121 HydrophobicContact CH2-CD1 3.41Å; W44-F121 VanDerWaalsContact CH2-CD1 3.41Å; W44-F121 AromaticContact CH2-CE1 3.31Å; W44-F121 HydrophobicContact CH2-CE1 3.31Å; W44-F121 AromaticContact CZ2-CD1 4Å; W44-F121 HydrophobicContact CZ2-CD1 4Å; W44-F121 HydrophobicContact CZ2-CE1 4.31Å; W44-F121 HydrophobicContact CZ3-CD1 4.31Å; W44-F121 AromaticContact CZ3-CE1 3.9Å; W44-F121 HydrophobicContact CZ3-CE1 3.9Å; W44-W122 HydrophobicContact CZ2-CB 4.42Å |
| 45 | I | 93.3 | Very high | 89.9 | Confident | 117 Ų | 117 | 73.5 Ų | 73.5 | 60% | 0.6 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -58.5 | -46.1 | 174.5 | -70 | 165 | 0 | 0 | 0 | 110.4 | A41 V42 L48 G49 | A41-I45 VanDerWaalsContact O-CG1 3.25Å; A41-I45 WeakPolarHBondContact O-CG1 3.39Å; A41-I45 PolarHBondContact O-N 3.09Å; V42-I45 PolarHBondContact O-N 3.32Å; I45-L48 PolarHBondContact O-N 3.45Å; I45-G49 PolarHBondContact O-N 3.4Å |
| 46 | V | 93.5 | Very high | 90.7 | Very high | 72 Ų | 72 | 69.3 Ų | 69.3 | 44% | 0.436 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61.8 | -45.9 | 177.5 | 170.8 | 0 | 0 | 0 | 0 | 111.1 | V42 R43 W44 L48 G49 L50 | V42-V46 HydrophobicContact CG1-CG2 4.35Å; V42-V46 VanDerWaalsContact O-CG2 3.31Å; V42-V46 WeakPolarHBondContact O-CG2 3.41Å; V42-V46 PolarHBondContact O-N 3.45Å; R43-V46 PolarHBondContact O-N 2.92Å; W44-V46 VanDerWaalsContact C-N 3.32Å; W44-V46 PolarHBondContact O-N 3.29Å; V46-L48 PolarHBondContact O-N 3.49Å; V46-G49 PolarHBondContact O-N 3.27Å; V46-L50 HydrophobicContact CG1-CD1 4.02Å; V46-L50 HydrophobicContact CG1-CG 4.45Å; V46-L50 WeakPolarHBondContact O-CB 3.29Å; V46-L50 WeakPolarHBondContact O-CG 3.31Å; V46-L50 PolarHBondContact O-N 3.47Å |
| 47 | T | 93.3 | Very high | 91.5 | Very high | 8 Ų | 8 | 71.5 Ų | 71.5 | 5% | 0.049 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -64 | -41.8 | 178.9 | -59.3 | 0 | 0 | 0 | 0 | 112.4 | R43 W44 L50 S51 W122 T126 I129 | R43-T47 PolarHBondContact O-N 2.92Å; R43-T47 VanDerWaalsContact O-N 3.07Å; R43-T47 PolarHBondContact O-OG1 3.07Å; R43-T47 VanDerWaalsContact O-OG1 3.1Å; W44-T47 PolarHBondContact O-N 3.27Å; T47-L50 PolarHBondContact O-N 3.34Å; T47-S51 WeakPolarHBondContact O-CB 3.44Å; T47-S51 PolarHBondContact O-N 3.33Å; T47-W122 VanDerWaalsContact OG1-CD1 3.28Å; T47-W122 PolarHBondContact OG1-NE1 2.89Å; T47-T126 PolarHBondContact OG1-OG1 3.47Å; T47-I129 HydrophobicContact CG2-CD1 3.79Å |
| 48 | L | 94.4 | Very high | 92.3 | Very high | 115 Ų | 115 | 69 Ų | 69 | 60% | 0.602 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -65.8 | -41.8 | 176.2 | -70.6 | 174.4 | 0 | 0 | 0 | 111.3 | W44 I45 V46 S51 F52 | W44-L48 WeakPolarHBondContact O-CB 3.46Å; W44-L48 VanDerWaalsContact O-CG 3.27Å; W44-L48 WeakPolarHBondContact O-CG 3.42Å; W44-L48 PolarHBondContact O-N 3.44Å; I45-L48 PolarHBondContact O-N 3.45Å; V46-L48 PolarHBondContact O-N 3.49Å; L48-S51 WeakPolarHBondContact O-CB 3.42Å; L48-S51 PolarHBondContact O-N 3.49Å; L48-F52 WeakPolarHBondContact O-CB 3.25Å; L48-F52 PolarHBondContact O-N 3.44Å |
| 49 | G | 96.8 | Very high | 92.7 | Very high | 33 Ų | 33 | 72.8 Ų | 72.8 | 34% | 0.34 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -60.3 | -47.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112.4 | I45 V46 S51 F52 I53 | I45-G49 PolarHBondContact O-N 3.4Å; V46-G49 PolarHBondContact O-N 3.27Å; G49-S51 PolarHBondContact O-N 2.97Å; G49-F52 PolarHBondContact O-N 2.87Å; G49-I53 VanDerWaalsContact O-CG1 3.28Å; G49-I53 WeakPolarHBondContact O-CG1 3.46Å; G49-I53 PolarHBondContact O-N 2.9Å |
| 50 | L | 95.8 | Very high | 93.1 | Very high | 48 Ų | 48 | 71.9 Ų | 71.9 | 25% | 0.251 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.7 | -42.2 | 175.5 | -74.4 | 172.2 | 0 | 0 | 0 | 112.3 | V46 T47 F52 I53 Y54 T126 I129 L130 | V46-L50 HydrophobicContact CG1-CD1 4.02Å; V46-L50 HydrophobicContact CG1-CG 4.45Å; V46-L50 WeakPolarHBondContact O-CB 3.29Å; V46-L50 WeakPolarHBondContact O-CG 3.31Å; V46-L50 PolarHBondContact O-N 3.47Å; T47-L50 PolarHBondContact O-N 3.34Å; L50-F52 VanDerWaalsContact C-N 3.34Å; L50-I53 PolarHBondContact O-N 2.88Å; L50-Y54 WeakPolarHBondContact O-CB 3.42Å; L50-Y54 PolarHBondContact O-N 3.46Å; L50-T126 HydrophobicContact CD1-CG2 4Å; L50-I129 HydrophobicContact CB-CG2 4.1Å; L50-L130 HydrophobicContact CD1-CD2 4.25Å; L50-L130 HydrophobicContact CD2-CD2 4.48Å |
| 51 | S | 95.2 | Very high | 93.4 | Very high | 35 Ų | 35 | 73.4 Ų | 73.4 | 25% | 0.245 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -60.7 | -44.1 | 175.1 | -173 | 0 | 0 | 0 | 0 | 111.3 | T47 L48 G49 Y54 M55 | T47-S51 WeakPolarHBondContact O-CB 3.44Å; T47-S51 PolarHBondContact O-N 3.33Å; L48-S51 WeakPolarHBondContact O-CB 3.42Å; L48-S51 PolarHBondContact O-N 3.49Å; G49-S51 PolarHBondContact O-N 2.97Å; S51-Y54 WeakPolarHBondContact O-CB 3.36Å; S51-Y54 PolarHBondContact O-N 2.95Å; S51-M55 WeakPolarHBondContact O-CG 3.46Å; S51-M55 PolarHBondContact O-N 3.45Å |
| 52 | F | 96.3 | Very high | 93.6 | Very high | 140 Ų | 140 | 75 Ų | 75 | 61% | 0.614 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -64.2 | -44.4 | 178.6 | -173.9 | -113.2 | 0 | 0 | 0 | 112.2 | L48 G49 L50 Y54 M55 I56 | L48-F52 WeakPolarHBondContact O-CB 3.25Å; L48-F52 PolarHBondContact O-N 3.44Å; G49-F52 PolarHBondContact O-N 2.87Å; L50-F52 VanDerWaalsContact C-N 3.34Å; F52-Y54 VanDerWaalsContact C-N 3.3Å; F52-Y54 PolarHBondContact O-N 3.21Å; F52-M55 PolarHBondContact O-N 2.99Å; F52-I56 HydrophobicContact CD1-CD1 3.62Å; F52-I56 HydrophobicContact CE1-CD1 3.26Å; F52-I56 HydrophobicContact CE1-CG1 4.24Å; F52-I56 HydrophobicContact CE2-CD1 4.34Å; F52-I56 HydrophobicContact CG-CD1 4.32Å; F52-I56 HydrophobicContact CZ-CD1 3.66Å; F52-I56 HydrophobicContact CZ-CG1 4.24Å; F52-I56 WeakPolarHBondContact O-CG1 3.36Å; F52-I56 PolarHBondContact O-N 2.86Å |
| 53 | I | 96.4 | Very high | 93.6 | Very high | 97 Ų | 97 | 71.1 Ų | 71.1 | 50% | 0.497 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -59.8 | -42.7 | 174.8 | -66.8 | 164 | 0 | 0 | 0 | 110.8 | G49 L50 I56 R57 M133 | G49-I53 VanDerWaalsContact O-CG1 3.28Å; G49-I53 WeakPolarHBondContact O-CG1 3.46Å; G49-I53 PolarHBondContact O-N 2.9Å; L50-I53 PolarHBondContact O-N 2.88Å; I53-I56 PolarHBondContact O-N 3.24Å; I53-R57 WeakPolarHBondContact O-CB 3.47Å; I53-R57 PolarHBondContact O-N 2.87Å; I53-M133 HydrophobicContact CG2-CE 3.98Å |
| 54 | Y | 96.1 | Very high | 93.7 | Very high | 1 Ų | 1 | 71.6 Ų | 71.6 | 0% | 0.004 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -59.8 | -47.1 | 175 | 175.9 | -92.4 | 0 | 0 | 0 | 112 | L50 S51 F52 I56 R57 V58 T68 L71 A132 M133 T136 | L50-Y54 WeakPolarHBondContact O-CB 3.42Å; L50-Y54 PolarHBondContact O-N 3.46Å; S51-Y54 WeakPolarHBondContact O-CB 3.36Å; S51-Y54 PolarHBondContact O-N 2.95Å; F52-Y54 VanDerWaalsContact C-N 3.3Å; F52-Y54 PolarHBondContact O-N 3.21Å; Y54-I56 PolarHBondContact O-N 2.93Å; Y54-R57 WeakPolarHBondContact O-CB 3.42Å; Y54-R57 PolarHBondContact O-N 2.99Å; Y54-V58 HydrophobicContact CD1-CG2 4.32Å; Y54-V58 HydrophobicContact CE1-CG2 3.78Å; Y54-V58 HydrophobicContact CE2-CG2 4.12Å; Y54-V58 WeakPolarHBondContact O-CG2 3.38Å; Y54-V58 PolarHBondContact O-N 2.96Å; Y54-T68 HydrophobicContact CE1-CG2 4.18Å; Y54-T68 WeakPolarHBondContact OH-CA 3.49Å; Y54-T68 PolarHBondContact OH-N 3.42Å; Y54-T68 PolarHBondContact OH-OG1 3.27Å; Y54-L71 HydrophobicContact CD1-CD2 4.08Å; Y54-L71 HydrophobicContact CE1-CD2 3.74Å; Y54-A132 HydrophobicContact CD2-CB 4.44Å; Y54-A132 HydrophobicContact CE2-CB 3.75Å; Y54-M133 HydrophobicContact CD2-CB 4.4Å; Y54-M133 HydrophobicContact CD2-CE 4.18Å; Y54-M133 HydrophobicContact CD2-SD 4.28Å; Y54-M133 HydrophobicContact CG-CE 4.47Å; Y54-T136 HydrophobicContact CE2-CG2 3.74Å |
| 55 | M | 94 | Very high | 93.8 | Very high | 94 Ų | 94 | 69.9 Ų | 69.9 | 46% | 0.463 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.3 | -42.8 | 179.3 | -69.1 | -62.3 | 172.6 | 0 | 0 | 112 | S51 F52 R57 V58 Y59 | S51-M55 WeakPolarHBondContact O-CG 3.46Å; S51-M55 PolarHBondContact O-N 3.45Å; F52-M55 PolarHBondContact O-N 2.99Å; M55-R57 VanDerWaalsContact C-N 3.32Å; M55-R57 PolarHBondContact O-N 3.47Å; M55-V58 PolarHBondContact O-N 3.36Å; M55-Y59 VanDerWaalsContact O-CB 3.3Å; M55-Y59 WeakPolarHBondContact O-CB 3.47Å; M55-Y59 PolarHBondContact O-N 3.26Å |
| 56 | I | 95.9 | Very high | 93.8 | Very high | 71 Ų | 71 | 67.7 Ų | 67.7 | 36% | 0.364 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -57.8 | -47.4 | 173.8 | -72.1 | 168.2 | 0 | 0 | 0 | 110.2 | F52 I53 Y54 V58 Y59 L60 | F52-I56 HydrophobicContact CD1-CD1 3.62Å; F52-I56 HydrophobicContact CE1-CD1 3.26Å; F52-I56 HydrophobicContact CE1-CG1 4.24Å; F52-I56 HydrophobicContact CE2-CD1 4.34Å; F52-I56 HydrophobicContact CG-CD1 4.32Å; F52-I56 HydrophobicContact CZ-CD1 3.66Å; F52-I56 HydrophobicContact CZ-CG1 4.24Å; F52-I56 WeakPolarHBondContact O-CG1 3.36Å; F52-I56 PolarHBondContact O-N 2.86Å; I53-I56 PolarHBondContact O-N 3.24Å; Y54-I56 PolarHBondContact O-N 2.93Å; I56-V58 PolarHBondContact O-N 3.46Å; I56-Y59 PolarHBondContact O-N 2.91Å; I56-L60 HydrophobicContact CG2-CD1 3.7Å; I56-L60 HydrophobicContact CG2-CG 4.17Å; I56-L60 WeakPolarHBondContact O-CG 3.49Å; I56-L60 PolarHBondContact O-N 2.92Å |
| 57 | R | 94.6 | Very high | 93.9 | Very high | 68 Ų | 68 | 65 Ų | 65 | 26% | 0.257 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -58.9 | -49.3 | -179.7 | 178.9 | 179.2 | 175.8 | 88.4 | 3 | 111.8 | I53 Y54 M55 Y59 L60 L61 M133 T136 | I53-R57 WeakPolarHBondContact O-CB 3.47Å; I53-R57 PolarHBondContact O-N 2.87Å; Y54-R57 WeakPolarHBondContact O-CB 3.42Å; Y54-R57 PolarHBondContact O-N 2.99Å; M55-R57 VanDerWaalsContact C-N 3.32Å; M55-R57 PolarHBondContact O-N 3.47Å; R57-Y59 VanDerWaalsContact C-N 3.32Å; R57-Y59 PolarHBondContact O-N 3.4Å; R57-L60 PolarHBondContact O-N 3.21Å; R57-L61 HydrophobicContact CG-CD1 3.68Å; R57-L61 HydrophobicContact CG-CG 4.43Å; R57-L61 WeakPolarHBondContact O-CB 3.35Å; R57-L61 WeakPolarHBondContact O-CG 3.3Å; R57-L61 PolarHBondContact O-N 3.45Å; R57-M133 VanDerWaalsContact CD-SD 3.57Å; R57-T136 PolarHBondContact NE-OG1 3.49Å; R57-T136 PolarHBondContact NH2-O 3.15Å |
| 58 | V | 93.3 | Very high | 94 | Very high | 14 Ų | 14 | 66.1 Ų | 66.1 | 9% | 0.085 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.7 | -40.2 | 178.5 | 170.7 | 0 | 0 | 0 | 0 | 111.2 | Y54 M55 I56 Q62 | Y54-V58 HydrophobicContact CD1-CG2 4.32Å; Y54-V58 HydrophobicContact CE1-CG2 3.78Å; Y54-V58 HydrophobicContact CE2-CG2 4.12Å; Y54-V58 WeakPolarHBondContact O-CG2 3.38Å; Y54-V58 PolarHBondContact O-N 2.96Å; M55-V58 PolarHBondContact O-N 3.36Å; I56-V58 PolarHBondContact O-N 3.46Å; V58-Q62 WeakPolarHBondContact O-CA 3.48Å; V58-Q62 PolarHBondContact O-N 2.92Å |
| 59 | Y | 92.7 | Very high | 94 | Very high | 172 Ų | 172 | 63.9 Ų | 63.9 | 68% | 0.675 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -65.8 | -41.5 | 177.1 | -178.4 | -97.3 | 0 | 0 | 0 | 112.6 | M55 I56 R57 Q62 | M55-Y59 VanDerWaalsContact O-CB 3.3Å; M55-Y59 WeakPolarHBondContact O-CB 3.47Å; M55-Y59 PolarHBondContact O-N 3.26Å; I56-Y59 PolarHBondContact O-N 2.91Å; R57-Y59 VanDerWaalsContact C-N 3.32Å; R57-Y59 PolarHBondContact O-N 3.4Å; Y59-Q62 PolarHBondContact O-NE2 2.86Å |
| 60 | L | 93 | Very high | 93.9 | Very high | 126 Ų | 126 | 64.9 Ų | 64.9 | 66% | 0.66 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -72 | -39.2 | 178.8 | -68.8 | 176.4 | 0 | 0 | 0 | 112.3 | I56 R57 | I56-L60 HydrophobicContact CG2-CD1 3.7Å; I56-L60 HydrophobicContact CG2-CG 4.17Å; I56-L60 WeakPolarHBondContact O-CG 3.49Å; I56-L60 PolarHBondContact O-N 2.92Å; R57-L60 PolarHBondContact O-N 3.21Å |
| 61 | L | 90.8 | Very high | 93.8 | Very high | 83 Ų | 83 | 63.2 Ų | 63.2 | 44% | 0.435 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -84.9 | -11.4 | -177.2 | -63.3 | 176.3 | 0 | 0 | 0 | 113.7 | R57 G63 W64 | R57-L61 HydrophobicContact CG-CD1 3.68Å; R57-L61 HydrophobicContact CG-CG 4.43Å; R57-L61 WeakPolarHBondContact O-CB 3.35Å; R57-L61 WeakPolarHBondContact O-CG 3.3Å; R57-L61 PolarHBondContact O-N 3.45Å; L61-G63 PolarHBondContact O-N 2.71Å; L61-G63 VanDerWaalsContact O-N 3.15Å; L61-W64 HydrophobicContact CB-CE3 4.32Å; L61-W64 HydrophobicContact CB-CZ3 3.82Å; L61-W64 HydrophobicContact CD1-CE3 4.48Å; L61-W64 HydrophobicContact CD1-CH2 4.47Å; L61-W64 HydrophobicContact CD1-CZ3 3.97Å; L61-W64 HydrophobicContact CG-CZ3 4.47Å |
| 62 | Q | 90.1 | Very high | 93.8 | Very high | 105 Ų | 105 | 62.4 Ų | 62.4 | 49% | 0.491 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.7 | 41.8 | 178.7 | -65.4 | -72.6 | -49.5 | 0 | 0 | 113 | V58 Y59 Y65 | V58-Q62 WeakPolarHBondContact O-CA 3.48Å; V58-Q62 PolarHBondContact O-N 2.92Å; Y59-Q62 PolarHBondContact O-NE2 2.86Å; Q62-Y65 VanDerWaalsContact C-CZ 3.5Å; Q62-Y65 VanDerWaalsContact CA-OH 3.32Å; Q62-Y65 WeakPolarHBondContact CA-OH 3.32Å; Q62-Y65 VanDerWaalsContact O-CE2 3.32Å; Q62-Y65 WeakPolarHBondContact O-CE2 3.22Å; Q62-Y65 PolarHBondContact O-OH 3.34Å; Q62-Y65 PolarHBondContact OE1-OH 3.28Å |
| 63 | G | 89.1 | Confident | 93.7 | Very high | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.01 | 29% | 0.291 | C | S | . | . | trans | -151.7 | -176.1 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | L61 Y65 | L61-G63 PolarHBondContact O-N 2.71Å; L61-G63 VanDerWaalsContact O-N 3.15Å; G63-Y65 VanDerWaalsContact C-N 3.25Å; G63-Y65 PolarHBondContact O-N 3.25Å | ||
| 64 | W | 92.3 | Very high | 93.6 | Very high | 27 Ų | 27 | 57.7 Ų | 57.7 | 10% | 0.102 | 28% | 0.283 | C | S | . | . | trans | 56.4 | 36.2 | -179.7 | -60.8 | -94.4 | 0 | 0 | 0 | 113.9 | L61 I66 V67 T68 T136 F138 N142 | L61-W64 HydrophobicContact CB-CE3 4.32Å; L61-W64 HydrophobicContact CB-CZ3 3.82Å; L61-W64 HydrophobicContact CD1-CE3 4.48Å; L61-W64 HydrophobicContact CD1-CH2 4.47Å; L61-W64 HydrophobicContact CD1-CZ3 3.97Å; L61-W64 HydrophobicContact CG-CZ3 4.47Å; W64-I66 VanDerWaalsContact C-N 3.31Å; W64-I66 PolarHBondContact O-N 3.15Å; W64-V67 HydrophobicContact CB-CB 4.27Å; W64-V67 HydrophobicContact CB-CG2 4.25Å; W64-V67 PolarHBondContact O-N 2.8Å; W64-T68 PolarHBondContact O-N 3.45Å; W64-T68 PolarHBondContact O-OG1 2.74Å; W64-T136 HydrophobicContact CB-CG2 4.02Å; W64-T136 HydrophobicContact CG-CG2 4.04Å; W64-F138 PolarHBondContact NE1-O 3.34Å; W64-N142 HydrophobicContact CD2-CB 4.03Å; W64-N142 HydrophobicContact CG-CB 4.28Å; W64-N142 HydrophobicContact CZ2-CB 4.01Å; W64-N142 PolarHBondContact N-OD1 2.85Å | ||
| 65 | Y | 93.5 | Very high | 93.6 | Very high | 41 Ų | 41 | 60 Ų | 60 | 16% | 0.161 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.6 | -35.4 | 179.7 | -59.4 | -66.1 | 0 | 0 | 0 | 113 | Q62 G63 T68 Y69 V145 W147 | Q62-Y65 VanDerWaalsContact C-CZ 3.5Å; Q62-Y65 VanDerWaalsContact CA-OH 3.32Å; Q62-Y65 WeakPolarHBondContact CA-OH 3.32Å; Q62-Y65 VanDerWaalsContact O-CE2 3.32Å; Q62-Y65 WeakPolarHBondContact O-CE2 3.22Å; Q62-Y65 PolarHBondContact O-OH 3.34Å; Q62-Y65 PolarHBondContact OE1-OH 3.28Å; G63-Y65 VanDerWaalsContact C-N 3.25Å; G63-Y65 PolarHBondContact O-N 3.25Å; Y65-T68 PolarHBondContact O-N 2.72Å; Y65-Y69 VanDerWaalsContact O-CB 3.27Å; Y65-Y69 WeakPolarHBondContact O-CB 3.48Å; Y65-Y69 PolarHBondContact O-N 3.34Å; Y65-V145 HydrophobicContact CD2-CG2 4.38Å; Y65-W147 HydrophobicContact CD1-CB 3.45Å; Y65-W147 VanDerWaalsContact CD1-CB 3.45Å; Y65-W147 AromaticContact CD1-CG 3.97Å; Y65-W147 HydrophobicContact CD1-CG 3.97Å; Y65-W147 HydrophobicContact CD2-CB 3.79Å; Y65-W147 HydrophobicContact CD2-CG 4.4Å; Y65-W147 HydrophobicContact CE1-CB 3.77Å; Y65-W147 HydrophobicContact CE1-CD2 4.24Å; Y65-W147 AromaticContact CE1-CG 3.74Å; Y65-W147 HydrophobicContact CE1-CG 3.74Å; Y65-W147 HydrophobicContact CE2-CB 4.09Å; Y65-W147 AromaticContact CE2-CD1 3.95Å; Y65-W147 HydrophobicContact CE2-CG 4.21Å; Y65-W147 HydrophobicContact CG-CB 3.45Å; Y65-W147 VanDerWaalsContact CG-CB 3.45Å; Y65-W147 HydrophobicContact CG-CG 4.28Å; Y65-W147 AromaticContact CZ-CD1 3.7Å; Y65-W147 AromaticContact CZ-CG 3.87Å |
| 66 | I | 93.4 | Very high | 93.4 | Very high | 70 Ų | 70 | 56 Ų | 56 | 36% | 0.359 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -64.3 | -42.7 | 176 | -59.4 | -176.1 | 0 | 0 | 0 | 110.8 | W64 T68 Y69 A70 V143 V145 | W64-I66 VanDerWaalsContact C-N 3.31Å; W64-I66 PolarHBondContact O-N 3.15Å; I66-T68 VanDerWaalsContact C-N 3.34Å; I66-T68 PolarHBondContact O-N 3.13Å; I66-Y69 PolarHBondContact O-N 3.39Å; I66-A70 WeakPolarHBondContact O-CB 3.4Å; I66-A70 PolarHBondContact O-N 3.49Å; I66-V143 HydrophobicContact CD1-CB 3.71Å; I66-V143 HydrophobicContact CD1-CG1 4.33Å; I66-V143 HydrophobicContact CD1-CG2 4.14Å; I66-V145 HydrophobicContact CD1-CG1 3.91Å; I66-V145 HydrophobicContact CG1-CG1 4.14Å; I66-V145 HydrophobicContact CG1-CG2 4.09Å |
| 67 | V | 94.9 | Very high | 93.2 | Very high | 17 Ų | 17 | 57.2 Ų | 57.2 | 10% | 0.103 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.8 | -44.6 | 177.5 | -178.9 | 0 | 0 | 0 | 0 | 110.2 | W64 Y69 A70 L71 A132 C135 F141 | W64-V67 HydrophobicContact CB-CB 4.27Å; W64-V67 HydrophobicContact CB-CG2 4.25Å; W64-V67 PolarHBondContact O-N 2.8Å; V67-Y69 VanDerWaalsContact C-N 3.34Å; V67-Y69 PolarHBondContact O-N 2.99Å; V67-A70 PolarHBondContact O-N 3.43Å; V67-L71 WeakPolarHBondContact O-CB 3.44Å; V67-L71 PolarHBondContact O-N 2.95Å; V67-A132 HydrophobicContact CG1-CB 3.89Å; V67-C135 HydrophobicContact CG1-CB 3.89Å; V67-C135 HydrophobicContact CG2-CB 4.21Å; V67-F141 HydrophobicContact CG2-CB 3.66Å; V67-F141 HydrophobicContact CG2-CG 4.44Å |
| 68 | T | 94.8 | Very high | 93 | Very high | 31 Ų | 31 | 54.6 Ų | 54.6 | 19% | 0.19 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.8 | -41.3 | 176.5 | -56.9 | 0 | 0 | 0 | 0 | 112 | Y54 W64 Y65 I66 L71 G72 | Y54-T68 HydrophobicContact CE1-CG2 4.18Å; Y54-T68 WeakPolarHBondContact OH-CA 3.49Å; Y54-T68 PolarHBondContact OH-N 3.42Å; Y54-T68 PolarHBondContact OH-OG1 3.27Å; W64-T68 PolarHBondContact O-N 3.45Å; W64-T68 PolarHBondContact O-OG1 2.74Å; Y65-T68 PolarHBondContact O-N 2.72Å; I66-T68 VanDerWaalsContact C-N 3.34Å; I66-T68 PolarHBondContact O-N 3.13Å; T68-L71 WeakPolarHBondContact O-CB 3.48Å; T68-L71 PolarHBondContact O-N 3.04Å; T68-G72 PolarHBondContact O-N 3.21Å |
| 69 | Y | 94.1 | Very high | 92.7 | Very high | 67 Ų | 67 | 57.4 Ų | 57.4 | 26% | 0.263 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -64.1 | -46.4 | 176.5 | 178.9 | -107.5 | 0 | 0 | 0 | 112 | Y65 I66 V67 L71 G72 I73 L150 F154 | Y65-Y69 VanDerWaalsContact O-CB 3.27Å; Y65-Y69 WeakPolarHBondContact O-CB 3.48Å; Y65-Y69 PolarHBondContact O-N 3.34Å; I66-Y69 PolarHBondContact O-N 3.39Å; V67-Y69 VanDerWaalsContact C-N 3.34Å; V67-Y69 PolarHBondContact O-N 2.99Å; Y69-L71 VanDerWaalsContact C-N 3.32Å; Y69-L71 PolarHBondContact O-N 2.77Å; Y69-G72 PolarHBondContact O-N 2.98Å; Y69-G72 VanDerWaalsContact O-N 3.16Å; Y69-I73 HydrophobicContact CD1-CD1 3.92Å; Y69-I73 HydrophobicContact CE1-CD1 3.31Å; Y69-I73 HydrophobicContact CE1-CG1 4.41Å; Y69-I73 HydrophobicContact CE2-CD1 4.05Å; Y69-I73 HydrophobicContact CE2-CG1 4.46Å; Y69-I73 PolarHBondContact O-N 2.72Å; Y69-L150 HydrophobicContact CD1-CD2 4.44Å; Y69-L150 HydrophobicContact CD2-CB 4.09Å; Y69-L150 HydrophobicContact CD2-CD2 4.43Å; Y69-L150 HydrophobicContact CE1-CD2 4.49Å; Y69-L150 HydrophobicContact CE2-CD2 4.5Å; Y69-L150 HydrophobicContact CG-CD2 4.39Å; Y69-F154 HydrophobicContact CD2-CB 4.33Å; Y69-F154 HydrophobicContact CE2-CB 4.07Å |
| 70 | A | 94.9 | Very high | 92.4 | Very high | 54 Ų | 54 | 50.6 Ų | 50.6 | 45% | 0.446 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60.6 | -42.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | I66 V67 G72 I73 Y74 | I66-A70 WeakPolarHBondContact O-CB 3.4Å; I66-A70 PolarHBondContact O-N 3.49Å; V67-A70 PolarHBondContact O-N 3.43Å; A70-G72 VanDerWaalsContact C-N 3.33Å; A70-G72 PolarHBondContact O-N 2.91Å; A70-I73 PolarHBondContact O-N 2.94Å; A70-Y74 VanDerWaalsContact O-CB 3.26Å; A70-Y74 WeakPolarHBondContact O-CB 3.31Å; A70-Y74 PolarHBondContact O-N 3.49Å |
| 71 | L | 95.3 | Very high | 91.9 | Very high | 14 Ų | 14 | 45.6 Ų | 45.6 | 7% | 0.073 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.2 | -42.7 | 174.1 | -174.5 | 66.4 | 0 | 0 | 0 | 111.5 | Y54 V67 T68 Y69 Y74 H75 G128 I129 A132 | Y54-L71 HydrophobicContact CD1-CD2 4.08Å; Y54-L71 HydrophobicContact CE1-CD2 3.74Å; V67-L71 WeakPolarHBondContact O-CB 3.44Å; V67-L71 PolarHBondContact O-N 2.95Å; T68-L71 WeakPolarHBondContact O-CB 3.48Å; T68-L71 PolarHBondContact O-N 3.04Å; Y69-L71 VanDerWaalsContact C-N 3.32Å; Y69-L71 PolarHBondContact O-N 2.77Å; L71-Y74 PolarHBondContact O-N 2.8Å; L71-H75 VanDerWaalsContact CD1-CE1 3.45Å; L71-H75 WeakPolarHBondContact CD1-CE1 3.32Å; L71-H75 PolarHBondContact O-N 3.49Å; L71-H75 PolarHBondContact O-ND1 2.95Å; L71-G128 VanDerWaalsContact CD1-C 3.44Å; L71-G128 WeakPolarHBondContact CD1-O 3.49Å; L71-I129 HydrophobicContact CD2-CG1 4.47Å; L71-A132 HydrophobicContact CB-CB 4.27Å; L71-A132 HydrophobicContact CD1-CB 3.9Å; L71-A132 HydrophobicContact CD2-CB 3.78Å; L71-A132 HydrophobicContact CG-CB 4.19Å |
| 72 | G | 94.4 | Very high | 91.5 | Very high | 18 Ų | 18 | 43 Ų | 43 | 19% | 0.186 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.5 | -49.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | T68 Y69 A70 Y74 H75 L76 F154 | T68-G72 PolarHBondContact O-N 3.21Å; Y69-G72 PolarHBondContact O-N 2.98Å; Y69-G72 VanDerWaalsContact O-N 3.16Å; A70-G72 VanDerWaalsContact C-N 3.33Å; A70-G72 PolarHBondContact O-N 2.91Å; G72-Y74 VanDerWaalsContact C-N 3.28Å; G72-Y74 PolarHBondContact O-N 3.4Å; G72-H75 PolarHBondContact O-N 3Å; G72-L76 PolarHBondContact O-N 3.49Å; G72-F154 VanDerWaalsContact C-CE2 3.42Å; G72-F154 WeakPolarHBondContact O-CE2 3.29Å |
| 73 | I | 94.6 | Very high | 90.9 | Very high | 58 Ų | 58 | 38.9 Ų | 38.9 | 30% | 0.297 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -60.2 | -42.1 | 175.5 | -70.5 | 173.9 | 0 | 0 | 0 | 110.8 | Y69 A70 H75 L76 N77 F154 L157 | Y69-I73 HydrophobicContact CD1-CD1 3.92Å; Y69-I73 HydrophobicContact CE1-CD1 3.31Å; Y69-I73 HydrophobicContact CE1-CG1 4.41Å; Y69-I73 HydrophobicContact CE2-CD1 4.05Å; Y69-I73 HydrophobicContact CE2-CG1 4.46Å; Y69-I73 PolarHBondContact O-N 2.72Å; A70-I73 PolarHBondContact O-N 2.94Å; I73-H75 PolarHBondContact O-N 3.1Å; I73-L76 WeakPolarHBondContact O-CB 3.45Å; I73-L76 PolarHBondContact O-N 2.88Å; I73-N77 WeakPolarHBondContact O-CB 3.47Å; I73-N77 PolarHBondContact O-N 3.01Å; I73-F154 HydrophobicContact CG1-CD2 4.43Å; I73-L157 HydrophobicContact CG1-CD2 4.27Å |
| 74 | Y | 94.9 | Very high | 90.3 | Very high | 80 Ų | 80 | 39.7 Ų | 39.7 | 31% | 0.314 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -60.7 | -44.2 | 177.4 | 173.4 | -104.1 | 0 | 0 | 0 | 112 | A70 L71 G72 N77 L78 S124 | A70-Y74 VanDerWaalsContact O-CB 3.26Å; A70-Y74 WeakPolarHBondContact O-CB 3.31Å; A70-Y74 PolarHBondContact O-N 3.49Å; L71-Y74 PolarHBondContact O-N 2.8Å; G72-Y74 VanDerWaalsContact C-N 3.28Å; G72-Y74 PolarHBondContact O-N 3.4Å; Y74-N77 PolarHBondContact O-N 3.25Å; Y74-L78 HydrophobicContact CD1-CD1 3.89Å; Y74-L78 HydrophobicContact CE1-CD1 3.38Å; Y74-L78 HydrophobicContact CE1-CG 4.23Å; Y74-L78 HydrophobicContact CE2-CD1 4.36Å; Y74-L78 HydrophobicContact CE2-CG 4.39Å; Y74-L78 WeakPolarHBondContact O-CG 3.37Å; Y74-L78 PolarHBondContact O-N 3.13Å; Y74-S124 WeakPolarHBondContact CE1-O 3.26Å; Y74-S124 WeakPolarHBondContact OH-CB 3.42Å; Y74-S124 PolarHBondContact OH-O 3.42Å |
| 75 | H | 94.1 | Very high | 89.3 | Confident | 49 Ų | 49 | 39.3 Ų | 39.3 | 23% | 0.227 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64 | -40.3 | 174.2 | -79 | 81.8 | 0 | 0 | 0 | 112.5 | L71 G72 I73 N77 L78 F79 | L71-H75 VanDerWaalsContact CD1-CE1 3.45Å; L71-H75 WeakPolarHBondContact CD1-CE1 3.32Å; L71-H75 PolarHBondContact O-N 3.49Å; L71-H75 PolarHBondContact O-ND1 2.95Å; G72-H75 PolarHBondContact O-N 3Å; I73-H75 PolarHBondContact O-N 3.1Å; H75-N77 VanDerWaalsContact C-N 3.32Å; H75-N77 PolarHBondContact O-N 3.36Å; H75-L78 PolarHBondContact O-N 2.86Å; H75-F79 WeakPolarHBondContact O-CB 3.41Å; H75-F79 PolarHBondContact O-N 3.34Å |
| 76 | L | 91.6 | Very high | 87.8 | Confident | 10 Ų | 10 | 44.3 Ų | 44.3 | 5% | 0.052 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.8 | -44.5 | 173.9 | 177.1 | 56.1 | 0 | 0 | 0 | 111 | G72 I73 L78 F79 I80 F154 L157 F158 | G72-L76 PolarHBondContact O-N 3.49Å; I73-L76 WeakPolarHBondContact O-CB 3.45Å; I73-L76 PolarHBondContact O-N 2.88Å; L76-L78 PolarHBondContact O-N 3.4Å; L76-F79 WeakPolarHBondContact O-CB 3.27Å; L76-F79 PolarHBondContact O-N 3.05Å; L76-F79 VanDerWaalsContact O-N 3.16Å; L76-I80 HydrophobicContact CD1-CD1 4.29Å; L76-I80 HydrophobicContact CD1-CG1 4.39Å; L76-I80 HydrophobicContact CG-CD1 4.14Å; L76-I80 VanDerWaalsContact O-CG1 3.28Å; L76-I80 WeakPolarHBondContact O-CG1 3.33Å; L76-I80 PolarHBondContact O-N 3.2Å; L76-F154 HydrophobicContact CB-CE2 4.49Å; L76-L157 HydrophobicContact CD2-CD2 4.3Å; L76-L157 HydrophobicContact CD2-CG 4.24Å; L76-F158 HydrophobicContact CD1-CD2 3.6Å; L76-F158 HydrophobicContact CD1-CE2 3.98Å; L76-F158 HydrophobicContact CD2-CB 4.39Å; L76-F158 HydrophobicContact CD2-CD2 4.38Å; L76-F158 HydrophobicContact CG-CD2 4.47Å |
| 77 | N | 91.5 | Very high | 86.3 | Confident | 96 Ų | 96 | 45.1 Ų | 45.1 | 51% | 0.513 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.5 | -43.1 | 176.7 | -175.9 | 49.9 | 0 | 0 | 0 | 112.4 | I73 Y74 H75 F79 I80 A81 | I73-N77 WeakPolarHBondContact O-CB 3.47Å; I73-N77 PolarHBondContact O-N 3.01Å; Y74-N77 PolarHBondContact O-N 3.25Å; H75-N77 VanDerWaalsContact C-N 3.32Å; H75-N77 PolarHBondContact O-N 3.36Å; N77-F79 VanDerWaalsContact C-N 3.27Å; N77-F79 PolarHBondContact O-N 3.28Å; N77-I80 PolarHBondContact O-N 3.07Å; N77-A81 WeakPolarHBondContact O-CB 3.32Å; N77-A81 PolarHBondContact O-N 3.36Å |
| 78 | L | 89.1 | Confident | 84.8 | Confident | 13 Ų | 13 | 47.4 Ų | 47.4 | 7% | 0.068 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.1 | -39.9 | 173.3 | -72.9 | 171.4 | 0 | 0 | 0 | 111.6 | Y74 H75 L76 A81 F82 L116 F121 A125 | Y74-L78 HydrophobicContact CD1-CD1 3.89Å; Y74-L78 HydrophobicContact CE1-CD1 3.38Å; Y74-L78 HydrophobicContact CE1-CG 4.23Å; Y74-L78 HydrophobicContact CE2-CD1 4.36Å; Y74-L78 HydrophobicContact CE2-CG 4.39Å; Y74-L78 WeakPolarHBondContact O-CG 3.37Å; Y74-L78 PolarHBondContact O-N 3.13Å; H75-L78 PolarHBondContact O-N 2.86Å; L76-L78 PolarHBondContact O-N 3.4Å; L78-A81 PolarHBondContact O-N 3.1Å; L78-F82 WeakPolarHBondContact O-CB 3.33Å; L78-F82 PolarHBondContact O-N 2.75Å; L78-L116 HydrophobicContact CD2-CD2 3.86Å; L78-F121 HydrophobicContact CB-CD2 3.97Å; L78-F121 HydrophobicContact CB-CE2 3.68Å; L78-A125 HydrophobicContact CD1-CB 4.26Å |
| 79 | F | 87.6 | Confident | 83.1 | Confident | 74 Ų | 74 | 47.5 Ų | 47.5 | 33% | 0.325 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -67.9 | -40.5 | 180 | -169.1 | -113.6 | 0 | 0 | 0 | 111.8 | H75 L76 N77 F82 L83 M162 | H75-F79 WeakPolarHBondContact O-CB 3.41Å; H75-F79 PolarHBondContact O-N 3.34Å; L76-F79 WeakPolarHBondContact O-CB 3.27Å; L76-F79 PolarHBondContact O-N 3.05Å; L76-F79 VanDerWaalsContact O-N 3.16Å; N77-F79 VanDerWaalsContact C-N 3.27Å; N77-F79 PolarHBondContact O-N 3.28Å; F79-F82 WeakPolarHBondContact O-CB 3.32Å; F79-F82 PolarHBondContact O-N 3.29Å; F79-L83 HydrophobicContact CD1-CD1 3.89Å; F79-L83 HydrophobicContact CE1-CD1 3.52Å; F79-L83 HydrophobicContact CE1-CG 4.36Å; F79-L83 HydrophobicContact CZ-CD1 3.93Å; F79-L83 HydrophobicContact CZ-CG 4.42Å; F79-L83 WeakPolarHBondContact O-CG 3.17Å; F79-L83 PolarHBondContact O-N 2.96Å; F79-M162 HydrophobicContact CD1-CE 4.22Å; F79-M162 HydrophobicContact CD1-SD 3.61Å; F79-M162 HydrophobicContact CE1-CE 3.54Å; F79-M162 HydrophobicContact CE1-SD 3.54Å; F79-M162 VanDerWaalsContact CE1-SD 3.54Å |
| 80 | I | 86.3 | Confident | 81.5 | Confident | 29 Ų | 29 | 45.8 Ų | 45.8 | 15% | 0.149 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.8 | -49.6 | 171.7 | -64.2 | 159.1 | 0 | 0 | 0 | 110 | L76 N77 F82 L83 S84 T161 Q165 | L76-I80 HydrophobicContact CD1-CD1 4.29Å; L76-I80 HydrophobicContact CD1-CG1 4.39Å; L76-I80 HydrophobicContact CG-CD1 4.14Å; L76-I80 VanDerWaalsContact O-CG1 3.28Å; L76-I80 WeakPolarHBondContact O-CG1 3.33Å; L76-I80 PolarHBondContact O-N 3.2Å; N77-I80 PolarHBondContact O-N 3.07Å; I80-F82 PolarHBondContact O-N 3.16Å; I80-L83 CarbonylContact O-C 3.56Å; I80-L83 PolarHBondContact O-N 2.96Å; I80-S84 WeakPolarHBondContact O-CB 3.39Å; I80-S84 PolarHBondContact O-N 3.37Å; I80-S84 PolarHBondContact O-OG 3.16Å; I80-T161 HydrophobicContact CD1-CG2 3.22Å; I80-T161 HydrophobicContact CG1-CG2 3.89Å; I80-Q165 HydrophobicContact CG1-CG 4.16Å; I80-Q165 HydrophobicContact CG2-CG 4.13Å |
| 81 | A | 83.6 | Confident | 79.8 | Confident | 20 Ų | 20 | 48.9 Ų | 48.9 | 17% | 0.165 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.8 | -26.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | N77 L78 R115 L116 | N77-A81 WeakPolarHBondContact O-CB 3.32Å; N77-A81 PolarHBondContact O-N 3.36Å; L78-A81 PolarHBondContact O-N 3.1Å; A81-R115 WeakPolarHBondContact O-CB 3.41Å; A81-L116 HydrophobicContact CB-CB 4.44Å; A81-L116 PolarHBondContact O-N 2.86Å |
| 82 | F | 82 | Confident | 78.1 | Confident | 29 Ų | 29 | 51.9 Ų | 51.9 | 13% | 0.127 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -73.4 | -38.4 | 172.6 | 177.8 | -97.6 | 0 | 0 | 0 | 112.6 | L78 F79 I80 E118 F121 | L78-F82 WeakPolarHBondContact O-CB 3.33Å; L78-F82 PolarHBondContact O-N 2.75Å; F79-F82 WeakPolarHBondContact O-CB 3.32Å; F79-F82 PolarHBondContact O-N 3.29Å; I80-F82 PolarHBondContact O-N 3.16Å; F82-E118 HydrophobicContact CE2-CB 4.49Å; F82-F121 HydrophobicContact CB-CD2 3.94Å; F82-F121 HydrophobicContact CB-CE2 4.36Å; F82-F121 HydrophobicContact CD2-CB 4.37Å; F82-F121 HydrophobicContact CD2-CD2 4.42Å; F82-F121 HydrophobicContact CD2-CG 4.45Å; F82-F121 HydrophobicContact CG-CD2 4.4Å |
| 83 | L | 78.1 | Confident | 76.3 | Confident | 18 Ų | 18 | 56.5 Ų | 56.5 | 9% | 0.094 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -81.2 | -25.9 | 179.2 | -67.6 | 177.6 | 0 | 0 | 0 | 113.5 | F79 I80 M162 M169 Y174 P176 | F79-L83 HydrophobicContact CD1-CD1 3.89Å; F79-L83 HydrophobicContact CE1-CD1 3.52Å; F79-L83 HydrophobicContact CE1-CG 4.36Å; F79-L83 HydrophobicContact CZ-CD1 3.93Å; F79-L83 HydrophobicContact CZ-CG 4.42Å; F79-L83 WeakPolarHBondContact O-CG 3.17Å; F79-L83 PolarHBondContact O-N 2.96Å; I80-L83 CarbonylContact O-C 3.56Å; I80-L83 PolarHBondContact O-N 2.96Å; L83-M162 HydrophobicContact CD1-CE 3.87Å; L83-M162 HydrophobicContact CD1-SD 4.4Å; L83-M169 HydrophobicContact CD2-CE 4.44Å; L83-Y174 WeakPolarHBondContact O-CE2 3.26Å; L83-P176 HydrophobicContact CD2-CB 4.29Å; L83-P176 HydrophobicContact CD2-CG 4.08Å |
| 84 | S | 76.3 | Confident | 74.5 | Confident | 19 Ų | 19 | 60.2 Ų | 60.2 | 13% | 0.133 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -75.1 | 139.7 | 178.8 | -59.2 | 0 | 0 | 0 | 0 | 111.4 | I80 R115 | I80-S84 WeakPolarHBondContact O-CB 3.39Å; I80-S84 PolarHBondContact O-N 3.37Å; I80-S84 PolarHBondContact O-OG 3.16Å; S84-R115 VanDerWaalsContact O-CB 3.3Å; S84-R115 WeakPolarHBondContact O-CB 3.45Å; S84-R115 PolarHBondContact O-N 3.48Å |
| 85 | P | 70.4 | Confident | 72.6 | Confident | 18 Ų | 18 | 60.9 Ų | 60.9 | 12% | 0.117 | 33% | 0.326 | C | S | . | . | B | Isolated β-bridge | trans | -67.6 | 153.5 | 175.1 | 29.7 | -34.4 | 0 | 0 | 0 | 110.4 | V87 P89 F112 Y174 | P85-V87 VanDerWaalsContact C-N 3.28Å; P85-V87 WeakPolarHBondContact CB-O 3.48Å; P85-V87 PolarHBondContact O-N 3.35Å; P85-P89 HydrophobicContact CG-CG 4.18Å; P85-F112 HydrophobicContact CB-CD1 4.44Å; P85-F112 HydrophobicContact CB-CE1 4.3Å; P85-Y174 VanDerWaalsContact CD-CZ 3.41Å; P85-Y174 WeakPolarHBondContact CD-OH 3.08Å; P85-Y174 HydrophobicContact CG-CD1 4.33Å; P85-Y174 HydrophobicContact CG-CE1 3.9Å; P85-Y174 HydrophobicContact CG-CE2 4.4Å |
| 86 | K | 62.8 | Low | 70.7 | Confident | 146 Ų | 146 | 64 Ų | 64 | 64% | 0.635 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -64.1 | -34 | 178.7 | -172.9 | 179 | 176.4 | -173.9 | 0 | 112.7 | I113 | K86-I113 HydrophobicContact CB-CG2 4.32Å; K86-I113 WeakPolarHBondContact CB-O 3.37Å; K86-I113 HydrophobicContact CD-CG2 4.04Å; K86-I113 PolarHBondContact N-O 2.91Å |
| 87 | V | 60.8 | Low | 68.7 | Low | 87 Ų | 87 | 71.9 Ų | 71.9 | 53% | 0.527 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -116.4 | 125.4 | 173.8 | -172.4 | 0 | 0 | 0 | 0 | 106.9 | P85 P89 M92 | P85-V87 VanDerWaalsContact C-N 3.28Å; P85-V87 WeakPolarHBondContact CB-O 3.48Å; P85-V87 PolarHBondContact O-N 3.35Å; V87-P89 VanDerWaalsContact O-CD 3.31Å; V87-P89 WeakPolarHBondContact O-CD 3.42Å; V87-M92 HydrophobicContact CB-CE 4.21Å; V87-M92 HydrophobicContact CG1-CE 3.53Å |
| 88 | D | 63.6 | Low | 67.3 | Low | 65 Ų | 65 | 69.1 Ų | 69.1 | 35% | 0.348 | 38% | 0.38 | S | S | . | . | trans | -71.8 | 118.4 | -178 | -163.9 | -26.5 | 0 | 0 | 0 | 109.8 | S90 L91 H168 | D88-S90 PolarHBondContact O-N 3.01Å; D88-S90 PolarHBondContact OD1-N 2.91Å; D88-S90 VanDerWaalsContact OD1-N 3.13Å; D88-S90 PolarHBondContact OD1-OG 3.14Å; D88-S90 PolarHBondContact OD2-OG 2.96Å; D88-L91 HydrophobicContact CB-CD1 4.04Å; D88-L91 HydrophobicContact CB-CG 4.14Å; D88-L91 PolarHBondContact O-N 2.86Å; D88-H168 IonicContact OD1-CE1 3.85Å; D88-H168 IonicContact OD1-NE2 3.99Å | ||
| 89 | P | 59.6 | Low | 65.4 | Low | 33 Ų | 33 | 75.3 Ų | 75.3 | 21% | 0.214 | 42% | 0.422 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -25.8 | 179.6 | -23.5 | 34.6 | 0 | 0 | 0 | 113.5 | P85 V87 L91 M92 E93 Y172 Y174 | P85-P89 HydrophobicContact CG-CG 4.18Å; V87-P89 VanDerWaalsContact O-CD 3.31Å; V87-P89 WeakPolarHBondContact O-CD 3.42Å; P89-L91 VanDerWaalsContact C-N 3.26Å; P89-L91 PolarHBondContact O-N 2.95Å; P89-M92 PolarHBondContact O-N 3.42Å; P89-M92 VanDerWaalsContact O-N 3.13Å; P89-E93 PolarHBondContact O-N 3.25Å; P89-Y172 HydrophobicContact CB-CD1 3.71Å; P89-Y172 HydrophobicContact CB-CE1 4.33Å; P89-Y172 HydrophobicContact CB-CG 4.05Å; P89-Y172 HydrophobicContact CG-CG 4.49Å; P89-Y174 HydrophobicContact CG-CD1 4.17Å; P89-Y174 HydrophobicContact CG-CE1 4.49Å |
| 90 | S | 60.5 | Low | 63.9 | Low | 31 Ų | 31 | 76 Ų | 76 | 22% | 0.217 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -63.4 | -32.8 | 177.7 | 58.8 | 0 | 0 | 0 | 0 | 112.6 | D88 M92 E93 D94 | D88-S90 PolarHBondContact O-N 3.01Å; D88-S90 PolarHBondContact OD1-N 2.91Å; D88-S90 VanDerWaalsContact OD1-N 3.13Å; D88-S90 PolarHBondContact OD1-OG 3.14Å; D88-S90 PolarHBondContact OD2-OG 2.96Å; S90-M92 VanDerWaalsContact C-N 3.29Å; S90-M92 PolarHBondContact O-N 2.98Å; S90-E93 PolarHBondContact O-N 2.76Å; S90-D94 PolarHBondContact O-N 2.99Å |
| 91 | L | 59.4 | Low | 62.1 | Low | 119 Ų | 119 | 81.8 Ų | 81.8 | 62% | 0.623 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -73.3 | -20.3 | 176.3 | -62.4 | 175.2 | 0 | 0 | 0 | 113.2 | D88 P89 | D88-L91 HydrophobicContact CB-CD1 4.04Å; D88-L91 HydrophobicContact CB-CG 4.14Å; D88-L91 PolarHBondContact O-N 2.86Å; P89-L91 VanDerWaalsContact C-N 3.26Å; P89-L91 PolarHBondContact O-N 2.95Å |
| 92 | M | 58.8 | Low | 60.3 | Low | 77 Ų | 77 | 86.6 Ų | 86.6 | 38% | 0.379 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -81.4 | -34.2 | 174.1 | -64.3 | -171.6 | 177.2 | 0 | 0 | 111.3 | V87 P89 S90 D94 S95 | V87-M92 HydrophobicContact CB-CE 4.21Å; V87-M92 HydrophobicContact CG1-CE 3.53Å; P89-M92 PolarHBondContact O-N 3.42Å; P89-M92 VanDerWaalsContact O-N 3.13Å; S90-M92 VanDerWaalsContact C-N 3.29Å; S90-M92 PolarHBondContact O-N 2.98Å; M92-D94 VanDerWaalsContact C-N 3.31Å; M92-D94 PolarHBondContact O-N 3.35Å; M92-S95 PolarHBondContact O-N 3.42Å; M92-S95 PolarHBondContact O-OG 2.98Å |
| 93 | E | 56.9 | Low | 58.6 | Low | 115 Ų | 115 | 91.3 Ų | 91.3 | 54% | 0.537 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.5 | -37.4 | 178.7 | -150.6 | 172 | -158 | 0 | 0 | 111.5 | P89 S90 S95 Y172 | P89-E93 PolarHBondContact O-N 3.25Å; S90-E93 PolarHBondContact O-N 2.76Å; E93-S95 PolarHBondContact O-N 2.91Å; E93-Y172 VanDerWaalsContact OE2-CE1 3.26Å; E93-Y172 WeakPolarHBondContact OE2-CE1 3.44Å; E93-Y172 PolarHBondContact OE2-OH 2.91Å |
| 94 | D | 56.3 | Low | 57.4 | Low | 136 Ų | 136 | 99.9 Ų | 99.9 | 73% | 0.727 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | -8.1 | 177.8 | -67.3 | -26.7 | 0 | 0 | 0 | 114.2 | S90 M92 | S90-D94 PolarHBondContact O-N 2.99Å; M92-D94 VanDerWaalsContact C-N 3.31Å; M92-D94 PolarHBondContact O-N 3.35Å |
| 95 | S | 55.9 | Low | 56 | Low | 95 Ų | 95 | 107.8 Ų | 107.8 | 66% | 0.664 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.6 | -1.3 | -177.9 | 57.1 | 0 | 0 | 0 | 0 | 114.6 | M92 E93 | M92-S95 PolarHBondContact O-N 3.42Å; M92-S95 PolarHBondContact O-OG 2.98Å; E93-S95 PolarHBondContact O-N 2.91Å |
| 96 | D | 53.9 | Low | 54.9 | Low | 115 Ų | 115 | 114.1 Ų | 114.1 | 62% | 0.615 | 63% | 0.631 | S | S | * | * | trans | -110.8 | 29.1 | -172.9 | -140.5 | 19.1 | 0 | 0 | 0 | 112.7 | G98 | D96-G98 PolarHBondContact O-N 3.43Š| ||
| 97 | D | 50 | Low | 54.2 | Low | 174 Ų | 174 | 112.9 Ų | 112.9 | 93% | 0.93 | 63% | 0.627 | S | S | * | * | trans | -79.9 | 48 | 176.6 | -141 | 14.2 | 0 | 0 | 0 | 111.6 | ||||
| 98 | G | 61.3 | Low | 53.6 | Low | 38 Ų | 38 | 114.9 Ų | 114.9 | 39% | 0.392 | 63% | 0.631 | S | S | . | * | S | Bend | trans | -123.4 | 143.8 | 170 | 0 | 0 | 0 | 0 | 0 | 109.4 | D96 S100 | D96-G98 PolarHBondContact O-N 3.43Å; G98-S100 PolarHBondContact O-N 2.87Å |
| 99 | P | 48.3 | Very low | 52.7 | Low | 144 Ų | 144 | 117.6 Ų | 117.6 | 94% | 0.935 | 64% | 0.64 | S | S | * | * | trans | -66.4 | 96.9 | -172.4 | 26.6 | -32.4 | 0 | 0 | 0 | 110.4 | ||||
| 100 | S | 56.7 | Low | 52.5 | Low | 87 Ų | 87 | 122.4 Ų | 122.4 | 61% | 0.608 | 65% | 0.654 | S | S | * | * | trans | -95.4 | 132.3 | 177.2 | 60.4 | 0 | 0 | 0 | 0 | 110.7 | G98 | G98-S100 PolarHBondContact O-N 2.87Š| ||
| 101 | L | 48.3 | Very low | 52.2 | Low | 152 Ų | 152 | 125.7 Ų | 125.7 | 80% | 0.796 | 67% | 0.674 | S | S | * | * | trans | -62.7 | 139.6 | -179.8 | -79 | 131.5 | 0 | 0 | 0 | 110.5 | T103 | L101-T103 PolarHBondContact O-N 2.91Š| ||
| 102 | P | 45.6 | Very low | 51.9 | Low | 120 Ų | 120 | 123.1 Ų | 123.1 | 78% | 0.779 | 66% | 0.658 | S | S | * | * | trans | -75 | 83.1 | -174.5 | 29.8 | -33.2 | 0 | 0 | 0 | 111.5 | K104 | P102-K104 PolarHBondContact O-N 2.8Š| ||
| 103 | T | 47.2 | Very low | 51.8 | Low | 128 Ų | 128 | 125 Ų | 125 | 79% | 0.785 | 67% | 0.669 | S | S | * | * | trans | -89 | 75.1 | 167.2 | 40.3 | 0 | 0 | 0 | 0 | 110.9 | L101 Q105 | L101-T103 PolarHBondContact O-N 2.91Å; T103-Q105 PolarHBondContact O-N 2.95Å | ||
| 104 | K | 51.8 | Low | 52.3 | Low | 199 Ų | 199 | 123.7 Ų | 123.7 | 87% | 0.865 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.9 | 78.6 | 161.5 | -76.9 | -179.2 | 175 | 175.8 | 0 | 109.6 | P102 | P102-K104 PolarHBondContact O-N 2.8Š|
| 105 | Q | 47.1 | Very low | 52.7 | Low | 184 Ų | 184 | 125.1 Ų | 125.1 | 86% | 0.86 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -174.7 | 9.2 | 157.9 | -112.2 | 171.4 | 20.4 | 0 | 0 | 117.1 | T103 | T103-Q105 PolarHBondContact O-N 2.95Š|
| 106 | N | 47.3 | Very low | 53.5 | Low | 151 Ų | 151 | 122 Ų | 122 | 81% | 0.807 | 63% | 0.63 | S | S | * | * | trans | -121.7 | 85.7 | 164.9 | -78.3 | -46.3 | 0 | 0 | 0 | 107.9 | E108 | N106-E108 PolarHBondContact O-N 3.46Š| ||
| 107 | E | 49.5 | Very low | 54.8 | Low | 120 Ų | 120 | 119.7 Ų | 119.7 | 56% | 0.561 | 62% | 0.621 | S | S | * | * | trans | -57.4 | 91.1 | 157.1 | -68.7 | -173.4 | 163.2 | 0 | 0 | 106.4 | F109 R173 | E107-F109 VanDerWaalsContact C-N 3.27Å; E107-F109 PolarHBondContact O-N 2.89Å; E107-R173 IonicContact OE1-CZ 3.52Å; E107-R173 IonicContact OE1-NH1 3.62Å; E107-R173 IonicContact OE1-NH2 2.66Å; E107-R173 PolarHBondContact OE1-NH2 3.38Å | ||
| 108 | E | 47.5 | Very low | 56.4 | Low | 129 Ų | 129 | 114.4 Ų | 114.4 | 60% | 0.603 | 59% | 0.591 | S | S | * | * | trans | -59.1 | 97.3 | 176.1 | -168.2 | -172.2 | 155.2 | 0 | 0 | 106.3 | N106 R110 | N106-E108 PolarHBondContact O-N 3.46Å; E108-R110 HydrophobicContact CG-CG 4.27Å; E108-R110 PolarHBondContact O-N 3.16Å; E108-R110 IonicContact OE1-CZ 2.78Å; E108-R110 IonicContact OE1-NE 3.51Å; E108-R110 IonicContact OE1-NH1 3.94Å; E108-R110 PolarHBondContact OE1-NH1 3.38Å; E108-R110 IonicContact OE2-CZ 3.5Å; E108-R110 IonicContact OE2-NH1 3.74Å; E108-R110 IonicContact OE2-NH2 3.65Å | ||
| 109 | F | 44.9 | Very low | 57.5 | Low | 123 Ų | 123 | 114.6 Ų | 114.6 | 54% | 0.539 | 58% | 0.581 | S | S | . | * | trans | -71.3 | 82.6 | -179.6 | -161.1 | -89.2 | 0 | 0 | 0 | 106.7 | E107 P111 | E107-F109 VanDerWaalsContact C-N 3.27Å; E107-F109 PolarHBondContact O-N 2.89Å; F109-P111 WeakPolarHBondContact O-CD 3.44Å | ||
| 110 | R | 56.3 | Low | 59.2 | Low | 134 Ų | 134 | 113.8 Ų | 113.8 | 51% | 0.506 | 56% | 0.563 | S | S | . | * | trans | -69.4 | 113.9 | 173.7 | -58.9 | -155.4 | -156.2 | -108.1 | 17.1 | 106.9 | E108 F112 | E108-R110 HydrophobicContact CG-CG 4.27Å; E108-R110 PolarHBondContact O-N 3.16Å; E108-R110 IonicContact OE1-CZ 2.78Å; E108-R110 IonicContact OE1-NE 3.51Å; E108-R110 IonicContact OE1-NH1 3.94Å; E108-R110 PolarHBondContact OE1-NH1 3.38Å; E108-R110 IonicContact OE2-CZ 3.5Å; E108-R110 IonicContact OE2-NH1 3.74Å; E108-R110 IonicContact OE2-NH2 3.65Å; R110-F112 PolarHBondContact O-N 3.45Å; R110-F112 VanDerWaalsContact O-N 3.15Å | ||
| 111 | P | 53.2 | Low | 60.7 | Low | 100 Ų | 100 | 110.7 Ų | 110.7 | 65% | 0.649 | 54% | 0.538 | S | S | * | . | trans | -57.2 | 124.5 | 178.9 | -20.9 | 32.5 | 0 | 0 | 0 | 108.9 | F109 I113 | F109-P111 WeakPolarHBondContact O-CD 3.44Å; P111-I113 PolarHBondContact O-N 2.89Å | ||
| 112 | F | 52.7 | Low | 62.8 | Low | 65 Ų | 65 | 104.5 Ų | 104.5 | 29% | 0.285 | 50% | 0.504 | S | S | . | . | trans | -63.8 | 98 | 177.8 | -87 | -78.4 | 0 | 0 | 0 | 110.6 | P85 R110 R114 Y174 I175 | P85-F112 HydrophobicContact CB-CD1 4.44Å; P85-F112 HydrophobicContact CB-CE1 4.3Å; R110-F112 PolarHBondContact O-N 3.45Å; R110-F112 VanDerWaalsContact O-N 3.15Å; F112-R114 PolarHBondContact O-N 3.44Å; F112-Y174 AromaticContact CD1-CD2 3.79Å; F112-Y174 HydrophobicContact CD1-CD2 3.79Å; F112-Y174 HydrophobicContact CD1-CG 4.14Å; F112-Y174 HydrophobicContact CE1-CD1 4.01Å; F112-Y174 AromaticContact CE1-CD2 3.27Å; F112-Y174 HydrophobicContact CE1-CD2 3.27Å; F112-Y174 HydrophobicContact CE1-CE2 4.32Å; F112-Y174 AromaticContact CE1-CG 3.16Å; F112-Y174 HydrophobicContact CE1-CG 3.16Å; F112-Y174 VanDerWaalsContact CE2-CA 3.4Å; F112-Y174 HydrophobicContact CZ-CD1 4.39Å; F112-Y174 AromaticContact CZ-CD2 3.93Å; F112-Y174 HydrophobicContact CZ-CD2 3.93Å; F112-Y174 AromaticContact CZ-CG 3.48Å; F112-Y174 HydrophobicContact CZ-CG 3.48Å; F112-Y174 VanDerWaalsContact CZ-CG 3.48Å; F112-I175 VanDerWaalsContact CD2-O 3.29Å; F112-I175 WeakPolarHBondContact CD2-O 3.35Å | ||
| 113 | I | 57 | Low | 64.9 | Low | 116 Ų | 116 | 100.9 Ų | 100.9 | 60% | 0.595 | 48% | 0.477 | S | S | * | . | trans | -84.5 | 100.7 | 165.2 | -56.1 | 175.1 | 0 | 0 | 0 | 106.4 | K86 P111 | K86-I113 HydrophobicContact CB-CG2 4.32Å; K86-I113 WeakPolarHBondContact CB-O 3.37Å; K86-I113 HydrophobicContact CD-CG2 4.04Å; K86-I113 PolarHBondContact N-O 2.91Å; P111-I113 PolarHBondContact O-N 2.89Å | ||
| 114 | R | 66.9 | Low | 67.1 | Low | 88 Ų | 88 | 96.2 Ų | 96.2 | 33% | 0.332 | 45% | 0.449 | S | S | . | . | B | Isolated β-bridge | trans | -54 | 136.3 | 173.1 | -70.3 | 174.2 | -86.9 | 169.8 | -4.6 | 109.9 | F112 L116 | F112-R114 PolarHBondContact O-N 3.44Å; R114-L116 PolarHBondContact O-N 3.37Å |
| 115 | R | 64.6 | Low | 69 | Low | 165 Ų | 165 | 86.8 Ų | 86.8 | 62% | 0.623 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -61.2 | -35.6 | 179.3 | -176.2 | 179.2 | -179.8 | -171 | 1.9 | 111.7 | A81 S84 | A81-R115 WeakPolarHBondContact O-CB 3.41Å; S84-R115 VanDerWaalsContact O-CB 3.3Å; S84-R115 WeakPolarHBondContact O-CB 3.45Å; S84-R115 PolarHBondContact O-N 3.48Å |
| 116 | L | 74.1 | Confident | 71.3 | Confident | 30 Ų | 30 | 78.8 Ų | 78.8 | 16% | 0.157 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -113.8 | 111.7 | 173.8 | -159.6 | 69.8 | 0 | 0 | 0 | 111.4 | L78 A81 R114 K120 F121 | L78-L116 HydrophobicContact CD2-CD2 3.86Å; A81-L116 HydrophobicContact CB-CB 4.44Å; A81-L116 PolarHBondContact O-N 2.86Å; R114-L116 PolarHBondContact O-N 3.37Å; L116-K120 HydrophobicContact CD1-CB 3.82Å; L116-K120 HydrophobicContact CG-CB 4.15Å; L116-F121 HydrophobicContact CD2-CB 3.84Å; L116-F121 HydrophobicContact CD2-CD2 4.09Å; L116-F121 HydrophobicContact CD2-CG 4.46Å; L116-F121 HydrophobicContact CG-CB 4.34Å |
| 117 | P | 80.7 | Confident | 73.5 | Confident | 66 Ų | 66 | 77.5 Ų | 77.5 | 43% | 0.429 | 36% | 0.36 | S | S | . | . | trans | -57.5 | 145.4 | 170.6 | -23.3 | 32.8 | 0 | 0 | 0 | 111.4 | F119 K120 F121 | P117-F119 PolarHBondContact O-N 2.84Å; P117-F119 VanDerWaalsContact O-N 3.14Å; P117-K120 HydrophobicContact CG-CD 4.44Å; P117-K120 PolarHBondContact O-N 3.37Å; P117-F121 PolarHBondContact O-N 2.83Å | ||
| 118 | E | 82.9 | Confident | 75.7 | Confident | 63 Ų | 63 | 72.2 Ų | 72.2 | 29% | 0.294 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -52.4 | -40 | -178.5 | -172.3 | -163.4 | 147.6 | 0 | 0 | 112.8 | T40 W44 F82 K120 F121 W122 | T40-E118 WeakPolarHBondContact CG2-OE1 3.36Å; W44-E118 HydrophobicContact CZ2-CG 4.15Å; W44-E118 PolarHBondContact NE1-OE1 3.29Å; F82-E118 HydrophobicContact CE2-CB 4.49Å; E118-K120 VanDerWaalsContact C-N 3.34Å; E118-K120 PolarHBondContact O-N 3.09Å; E118-F121 WeakPolarHBondContact O-CB 3.48Å; E118-F121 PolarHBondContact O-N 3.36Å; E118-W122 WeakPolarHBondContact O-CB 3.43Å; E118-W122 PolarHBondContact O-N 2.91Å |
| 119 | F | 84 | Confident | 78 | Confident | 43 Ų | 43 | 66.3 Ų | 66.3 | 19% | 0.189 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.4 | -43.1 | 177.6 | -174 | -94.6 | 0 | 0 | 0 | 112.4 | L33 P117 W122 H123 | L33-F119 HydrophobicContact CB-CE1 4.29Å; L33-F119 HydrophobicContact CB-CZ 3.95Å; L33-F119 HydrophobicContact CD2-CE1 4.35Å; L33-F119 HydrophobicContact CD2-CZ 3.99Å; L33-F119 WeakPolarHBondContact O-CZ 3.28Å; P117-F119 PolarHBondContact O-N 2.84Å; P117-F119 VanDerWaalsContact O-N 3.14Å; F119-W122 HydrophobicContact CE2-CE3 4.36Å; F119-W122 HydrophobicContact CE2-CZ3 4.22Å; F119-W122 HydrophobicContact CZ-CZ3 4.39Å; F119-H123 VanDerWaalsContact O-CB 3.29Å; F119-H123 WeakPolarHBondContact O-CB 3.42Å; F119-H123 PolarHBondContact O-N 3.5Å |
| 120 | K | 84.6 | Confident | 80.5 | Confident | 127 Ų | 127 | 64.9 Ų | 64.9 | 55% | 0.552 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -72.3 | -32.9 | 177.4 | -67 | -168.8 | 177.9 | -178.5 | 0 | 112.1 | L116 P117 E118 S124 | L116-K120 HydrophobicContact CD1-CB 3.82Å; L116-K120 HydrophobicContact CG-CB 4.15Å; P117-K120 HydrophobicContact CG-CD 4.44Å; P117-K120 PolarHBondContact O-N 3.37Å; E118-K120 VanDerWaalsContact C-N 3.34Å; E118-K120 PolarHBondContact O-N 3.09Å; K120-S124 WeakPolarHBondContact O-CB 3.27Å; K120-S124 PolarHBondContact O-N 3.14Å; K120-S124 PolarHBondContact O-OG 3.31Å |
| 121 | F | 88.6 | Confident | 82.4 | Confident | 22 Ų | 22 | 62.2 Ų | 62.2 | 10% | 0.096 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61 | -55 | 172.1 | 176.9 | -84.2 | 0 | 0 | 0 | 110.3 | W44 L78 F82 L116 P117 E118 H123 S124 A125 | W44-F121 AromaticContact CH2-CD1 3.41Å; W44-F121 HydrophobicContact CH2-CD1 3.41Å; W44-F121 VanDerWaalsContact CH2-CD1 3.41Å; W44-F121 AromaticContact CH2-CE1 3.31Å; W44-F121 HydrophobicContact CH2-CE1 3.31Å; W44-F121 AromaticContact CZ2-CD1 4Å; W44-F121 HydrophobicContact CZ2-CD1 4Å; W44-F121 HydrophobicContact CZ2-CE1 4.31Å; W44-F121 HydrophobicContact CZ3-CD1 4.31Å; W44-F121 AromaticContact CZ3-CE1 3.9Å; W44-F121 HydrophobicContact CZ3-CE1 3.9Å; L78-F121 HydrophobicContact CB-CD2 3.97Å; L78-F121 HydrophobicContact CB-CE2 3.68Å; F82-F121 HydrophobicContact CB-CD2 3.94Å; F82-F121 HydrophobicContact CB-CE2 4.36Å; F82-F121 HydrophobicContact CD2-CB 4.37Å; F82-F121 HydrophobicContact CD2-CD2 4.42Å; F82-F121 HydrophobicContact CD2-CG 4.45Å; F82-F121 HydrophobicContact CG-CD2 4.4Å; L116-F121 HydrophobicContact CD2-CB 3.84Å; L116-F121 HydrophobicContact CD2-CD2 4.09Å; L116-F121 HydrophobicContact CD2-CG 4.46Å; L116-F121 HydrophobicContact CG-CB 4.34Å; P117-F121 PolarHBondContact O-N 2.83Å; E118-F121 WeakPolarHBondContact O-CB 3.48Å; E118-F121 PolarHBondContact O-N 3.36Å; F121-H123 PolarHBondContact O-N 3.47Å; F121-S124 PolarHBondContact O-N 3.47Å; F121-A125 HydrophobicContact CE1-CB 4.45Å; F121-A125 WeakPolarHBondContact O-CB 3.39Å; F121-A125 PolarHBondContact O-N 3.4Å |
| 122 | W | 92 | Very high | 84.4 | Confident | 22 Ų | 22 | 57.7 Ų | 57.7 | 8% | 0.083 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -56.2 | -51.5 | 179.5 | 166.6 | 78.9 | 0 | 0 | 0 | 111.1 | R43 W44 T47 E118 F119 S124 A125 T126 | R43-W122 HydrophobicContact CB-CD2 3.97Å; R43-W122 VanDerWaalsContact CB-CE2 3.43Å; R43-W122 HydrophobicContact CB-CG 4.28Å; R43-W122 HydrophobicContact CB-CH2 4.44Å; R43-W122 HydrophobicContact CB-CZ2 3.71Å; R43-W122 HydrophobicContact CG-CD2 4.17Å; R43-W122 HydrophobicContact CG-CE3 4.41Å; R43-W122 HydrophobicContact CG-CH2 3.8Å; R43-W122 HydrophobicContact CG-CZ2 3.52Å; R43-W122 HydrophobicContact CG-CZ3 4.23Å; R43-W122 PolarHBondContact O-NE1 3.27Å; W44-W122 HydrophobicContact CZ2-CB 4.42Å; T47-W122 VanDerWaalsContact OG1-CD1 3.28Å; T47-W122 PolarHBondContact OG1-NE1 2.89Å; E118-W122 WeakPolarHBondContact O-CB 3.43Å; E118-W122 PolarHBondContact O-N 2.91Å; F119-W122 HydrophobicContact CE2-CE3 4.36Å; F119-W122 HydrophobicContact CE2-CZ3 4.22Å; F119-W122 HydrophobicContact CZ-CZ3 4.39Å; W122-S124 PolarHBondContact O-N 3.24Å; W122-A125 PolarHBondContact O-N 3.5Å; W122-T126 PolarHBondContact NE1-OG1 3.16Å; W122-T126 PolarHBondContact O-N 3.31Å; W122-T126 PolarHBondContact O-OG1 2.95Å |
| 123 | H | 90.4 | Very high | 86.4 | Confident | 43 Ų | 43 | 56 Ų | 56 | 20% | 0.199 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.6 | -45.2 | -178.1 | -177.4 | -95.9 | 0 | 0 | 0 | 112.4 | Y29 L33 F119 F121 A125 T126 K127 | Y29-H123 AromaticContact CZ-NE2 3.69Å; Y29-H123 PolarHBondContact OH-CE1 3.37Å; Y29-H123 PolarHBondContact OH-NE2 3.44Å; L33-H123 VanDerWaalsContact CD2-CD2 3.48Å; L33-H123 WeakPolarHBondContact CD2-CD2 3.41Å; F119-H123 VanDerWaalsContact O-CB 3.29Å; F119-H123 WeakPolarHBondContact O-CB 3.42Å; F119-H123 PolarHBondContact O-N 3.5Å; F121-H123 PolarHBondContact O-N 3.47Å; H123-A125 PolarHBondContact O-N 2.85Å; H123-T126 PolarHBondContact O-N 3.23Å; H123-K127 VanDerWaalsContact O-CB 3.31Å; H123-K127 WeakPolarHBondContact O-CB 3.46Å; H123-K127 PolarHBondContact O-N 2.92Å |
| 124 | S | 92 | Very high | 88.2 | Confident | 30 Ų | 30 | 52.6 Ų | 52.6 | 21% | 0.21 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.3 | -38.4 | 177 | -63.3 | 0 | 0 | 0 | 0 | 112.6 | Y74 K120 F121 W122 G128 | Y74-S124 WeakPolarHBondContact CE1-O 3.26Å; Y74-S124 WeakPolarHBondContact OH-CB 3.42Å; Y74-S124 PolarHBondContact OH-O 3.42Å; K120-S124 WeakPolarHBondContact O-CB 3.27Å; K120-S124 PolarHBondContact O-N 3.14Å; K120-S124 PolarHBondContact O-OG 3.31Å; F121-S124 PolarHBondContact O-N 3.47Å; W122-S124 PolarHBondContact O-N 3.24Å; S124-G128 PolarHBondContact O-N 3.03Å |
| 125 | A | 93.7 | Very high | 89.5 | Confident | 2 Ų | 2 | 49.8 Ų | 49.8 | 2% | 0.017 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.8 | -50.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | L78 F121 W122 H123 K127 G128 I129 | L78-A125 HydrophobicContact CD1-CB 4.26Å; F121-A125 HydrophobicContact CE1-CB 4.45Å; F121-A125 WeakPolarHBondContact O-CB 3.39Å; F121-A125 PolarHBondContact O-N 3.4Å; W122-A125 PolarHBondContact O-N 3.5Å; H123-A125 PolarHBondContact O-N 2.85Å; A125-K127 VanDerWaalsContact C-N 3.34Å; A125-K127 PolarHBondContact O-N 3.3Å; A125-G128 PolarHBondContact O-N 2.95Å; A125-G128 VanDerWaalsContact O-N 3.1Å; A125-I129 WeakPolarHBondContact O-CG1 3.46Å; A125-I129 PolarHBondContact O-N 3.42Å |
| 126 | T | 94.1 | Very high | 90.8 | Very high | 16 Ų | 16 | 42 Ų | 42 | 10% | 0.098 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.6 | -45.4 | 176.9 | -51.6 | 0 | 0 | 0 | 0 | 111.5 | T47 L50 W122 H123 G128 I129 L130 | T47-T126 PolarHBondContact OG1-OG1 3.47Å; L50-T126 HydrophobicContact CD1-CG2 4Å; W122-T126 PolarHBondContact NE1-OG1 3.16Å; W122-T126 PolarHBondContact O-N 3.31Å; W122-T126 PolarHBondContact O-OG1 2.95Å; H123-T126 PolarHBondContact O-N 3.23Å; T126-G128 VanDerWaalsContact C-N 3.31Å; T126-G128 PolarHBondContact O-N 2.87Å; T126-I129 PolarHBondContact O-N 2.89Å; T126-L130 HydrophobicContact CG2-CD1 4.41Å; T126-L130 WeakPolarHBondContact O-CG 3.33Å; T126-L130 PolarHBondContact O-N 3.34Å |
| 127 | K | 93.9 | Very high | 91.7 | Very high | 123 Ų | 123 | 47 Ų | 47 | 54% | 0.535 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -59 | -43.3 | 175.4 | -178.4 | -177.2 | 170.4 | -176.7 | 0 | 111.5 | H123 A125 I129 L130 V131 | H123-K127 VanDerWaalsContact O-CB 3.31Å; H123-K127 WeakPolarHBondContact O-CB 3.46Å; H123-K127 PolarHBondContact O-N 2.92Å; A125-K127 VanDerWaalsContact C-N 3.34Å; A125-K127 PolarHBondContact O-N 3.3Å; K127-I129 PolarHBondContact O-N 3.36Å; K127-L130 PolarHBondContact O-N 3.32Å; K127-V131 HydrophobicContact CG-CG2 4.47Å; K127-V131 VanDerWaalsContact O-CG2 3.32Å; K127-V131 WeakPolarHBondContact O-CG2 3.45Å; K127-V131 PolarHBondContact O-N 3.31Å |
| 128 | G | 95.9 | Very high | 92.3 | Very high | 10 Ų | 10 | 49.7 Ų | 49.7 | 10% | 0.103 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -58.5 | -46 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L71 S124 A125 T126 V131 A132 | L71-G128 VanDerWaalsContact CD1-C 3.44Å; L71-G128 WeakPolarHBondContact CD1-O 3.49Å; S124-G128 PolarHBondContact O-N 3.03Å; A125-G128 PolarHBondContact O-N 2.95Å; A125-G128 VanDerWaalsContact O-N 3.1Å; T126-G128 VanDerWaalsContact C-N 3.31Å; T126-G128 PolarHBondContact O-N 2.87Å; G128-V131 PolarHBondContact O-N 3.06Å; G128-A132 WeakPolarHBondContact O-CB 3.37Å; G128-A132 PolarHBondContact O-N 3.47Å |
| 129 | I | 96.1 | Very high | 92.6 | Very high | 4 Ų | 4 | 54.4 Ų | 54.4 | 2% | 0.021 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.7 | -43.9 | 177.6 | -64.3 | 162.4 | 0 | 0 | 0 | 111 | T47 L50 L71 A125 T126 K127 V131 A132 M133 | T47-I129 HydrophobicContact CG2-CD1 3.79Å; L50-I129 HydrophobicContact CB-CG2 4.1Å; L71-I129 HydrophobicContact CD2-CG1 4.47Å; A125-I129 WeakPolarHBondContact O-CG1 3.46Å; A125-I129 PolarHBondContact O-N 3.42Å; T126-I129 PolarHBondContact O-N 2.89Å; K127-I129 PolarHBondContact O-N 3.36Å; I129-V131 PolarHBondContact O-N 3.5Å; I129-A132 PolarHBondContact O-N 2.91Å; I129-M133 VanDerWaalsContact O-CB 3.29Å; I129-M133 WeakPolarHBondContact O-CB 3.46Å; I129-M133 PolarHBondContact O-N 3.18Å |
| 130 | L | 96 | Very high | 92.9 | Very high | 94 Ų | 94 | 56.6 Ų | 56.6 | 49% | 0.492 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.6 | -41 | 178.1 | -69.8 | 175.8 | 0 | 0 | 0 | 112.2 | L50 T126 K127 M133 A134 | L50-L130 HydrophobicContact CD1-CD2 4.25Å; L50-L130 HydrophobicContact CD2-CD2 4.48Å; T126-L130 HydrophobicContact CG2-CD1 4.41Å; T126-L130 WeakPolarHBondContact O-CG 3.33Å; T126-L130 PolarHBondContact O-N 3.34Å; K127-L130 PolarHBondContact O-N 3.32Å; L130-M133 PolarHBondContact O-N 3.19Å; L130-A134 WeakPolarHBondContact O-CB 3.43Å; L130-A134 PolarHBondContact O-N 3.41Å |
| 131 | V | 95.9 | Very high | 93.1 | Very high | 77 Ų | 77 | 55.1 Ų | 55.1 | 47% | 0.467 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -65.6 | -46.2 | 175.5 | 171.8 | 0 | 0 | 0 | 0 | 110.6 | K127 G128 I129 M133 A134 C135 | K127-V131 HydrophobicContact CG-CG2 4.47Å; K127-V131 VanDerWaalsContact O-CG2 3.32Å; K127-V131 WeakPolarHBondContact O-CG2 3.45Å; K127-V131 PolarHBondContact O-N 3.31Å; G128-V131 PolarHBondContact O-N 3.06Å; I129-V131 PolarHBondContact O-N 3.5Å; V131-M133 VanDerWaalsContact C-N 3.31Å; V131-M133 PolarHBondContact O-N 2.94Å; V131-A134 WeakPolarHBondContact O-CB 3.46Å; V131-A134 PolarHBondContact O-N 3.49Å; V131-A134 VanDerWaalsContact O-N 3.16Å; V131-C135 PolarHBondContact O-N 3.2Å; V131-C135 PolarHBondContact O-SG 3.03Å |
| 132 | A | 95.4 | Very high | 93.2 | Very high | 5 Ų | 5 | 57 Ų | 57 | 4% | 0.041 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.3 | -43.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y54 V67 L71 G128 I129 A134 C135 T136 | Y54-A132 HydrophobicContact CD2-CB 4.44Å; Y54-A132 HydrophobicContact CE2-CB 3.75Å; V67-A132 HydrophobicContact CG1-CB 3.89Å; L71-A132 HydrophobicContact CB-CB 4.27Å; L71-A132 HydrophobicContact CD1-CB 3.9Å; L71-A132 HydrophobicContact CD2-CB 3.78Å; L71-A132 HydrophobicContact CG-CB 4.19Å; G128-A132 WeakPolarHBondContact O-CB 3.37Å; G128-A132 PolarHBondContact O-N 3.47Å; I129-A132 PolarHBondContact O-N 2.91Å; A132-A134 VanDerWaalsContact C-N 3.34Å; A132-A134 PolarHBondContact O-N 2.97Å; A132-C135 WeakPolarHBondContact O-CB 2.96Å; A132-C135 PolarHBondContact O-N 3.01Å; A132-C135 VanDerWaalsContact O-N 3.16Å; A132-T136 WeakPolarHBondContact O-CG2 3.3Å; A132-T136 PolarHBondContact O-N 3.24Å |
| 133 | M | 94.9 | Very high | 93 | Very high | 30 Ų | 30 | 59.3 Ų | 59.3 | 15% | 0.148 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -57 | -47.5 | 173.4 | -173.2 | 68.4 | 78.9 | 0 | 0 | 111.1 | I53 Y54 R57 I129 L130 V131 C135 T136 F137 | I53-M133 HydrophobicContact CG2-CE 3.98Å; Y54-M133 HydrophobicContact CD2-CB 4.4Å; Y54-M133 HydrophobicContact CD2-CE 4.18Å; Y54-M133 HydrophobicContact CD2-SD 4.28Å; Y54-M133 HydrophobicContact CG-CE 4.47Å; R57-M133 VanDerWaalsContact CD-SD 3.57Å; I129-M133 VanDerWaalsContact O-CB 3.29Å; I129-M133 WeakPolarHBondContact O-CB 3.46Å; I129-M133 PolarHBondContact O-N 3.18Å; L130-M133 PolarHBondContact O-N 3.19Å; V131-M133 VanDerWaalsContact C-N 3.31Å; V131-M133 PolarHBondContact O-N 2.94Å; M133-C135 VanDerWaalsContact C-N 3.33Å; M133-C135 PolarHBondContact O-N 2.99Å; M133-T136 PolarHBondContact O-N 2.79Å; M133-T136 VanDerWaalsContact O-N 3.12Å; M133-T136 PolarHBondContact O-OG1 3.36Å; M133-F137 HydrophobicContact CG-CE2 4.24Å; M133-F137 VanDerWaalsContact O-CD2 3.22Å; M133-F137 WeakPolarHBondContact O-CD2 3.46Å; M133-F137 WeakPolarHBondContact O-CE2 3.48Å |
| 134 | A | 95.1 | Very high | 92.9 | Very high | 45 Ų | 45 | 63.1 Ų | 63.1 | 37% | 0.372 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -58.4 | -43.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | L130 V131 A132 T136 F137 F138 | L130-A134 WeakPolarHBondContact O-CB 3.43Å; L130-A134 PolarHBondContact O-N 3.41Å; V131-A134 WeakPolarHBondContact O-CB 3.46Å; V131-A134 PolarHBondContact O-N 3.49Å; V131-A134 VanDerWaalsContact O-N 3.16Å; A132-A134 VanDerWaalsContact C-N 3.34Å; A132-A134 PolarHBondContact O-N 2.97Å; A134-T136 PolarHBondContact O-N 2.92Å; A134-F137 PolarHBondContact O-N 3.4Å; A134-F137 VanDerWaalsContact O-N 3.09Å; A134-F138 VanDerWaalsContact O-CD2 3.29Å; A134-F138 WeakPolarHBondContact O-CD2 3.4Å; A134-F138 WeakPolarHBondContact O-CE2 3.28Å |
| 135 | C | 94.2 | Very high | 92.7 | Very high | 28 Ų | 28 | 64 Ų | 64 | 19% | 0.189 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -61.3 | -30.4 | 176.7 | -67.3 | 0 | 0 | 0 | 0 | 112.9 | V67 V131 A132 M133 F137 F138 F141 | V67-C135 HydrophobicContact CG1-CB 3.89Å; V67-C135 HydrophobicContact CG2-CB 4.21Å; V131-C135 PolarHBondContact O-N 3.2Å; V131-C135 PolarHBondContact O-SG 3.03Å; A132-C135 WeakPolarHBondContact O-CB 2.96Å; A132-C135 PolarHBondContact O-N 3.01Å; A132-C135 VanDerWaalsContact O-N 3.16Å; M133-C135 VanDerWaalsContact C-N 3.33Å; M133-C135 PolarHBondContact O-N 2.99Å; C135-F137 PolarHBondContact O-N 2.9Å; C135-F138 PolarHBondContact O-N 2.82Å; C135-F138 VanDerWaalsContact O-N 3.15Å; C135-F141 HydrophobicContact CB-CD2 3.97Å; C135-F141 HydrophobicContact CB-CE2 4.35Å; C135-F141 HydrophobicContact CB-CG 4.47Å |
| 136 | T | 92.7 | Very high | 92.5 | Very high | 2 Ų | 2 | 72.1 Ų | 72.1 | 1% | 0.012 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -2.9 | 176.1 | 67.9 | 0 | 0 | 0 | 0 | 114.8 | Y54 R57 W64 A132 M133 A134 | Y54-T136 HydrophobicContact CE2-CG2 3.74Å; R57-T136 PolarHBondContact NE-OG1 3.49Å; R57-T136 PolarHBondContact NH2-O 3.15Å; W64-T136 HydrophobicContact CB-CG2 4.02Å; W64-T136 HydrophobicContact CG-CG2 4.04Å; A132-T136 WeakPolarHBondContact O-CG2 3.3Å; A132-T136 PolarHBondContact O-N 3.24Å; M133-T136 PolarHBondContact O-N 2.79Å; M133-T136 VanDerWaalsContact O-N 3.12Å; M133-T136 PolarHBondContact O-OG1 3.36Å; A134-T136 PolarHBondContact O-N 2.92Å |
| 137 | F | 91.9 | Very high | 92.3 | Very high | 134 Ų | 134 | 77 Ų | 77 | 59% | 0.588 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -14 | 170.1 | -66.8 | -80.3 | 0 | 0 | 0 | 112.8 | M133 A134 C135 | M133-F137 HydrophobicContact CG-CE2 4.24Å; M133-F137 VanDerWaalsContact O-CD2 3.22Å; M133-F137 WeakPolarHBondContact O-CD2 3.46Å; M133-F137 WeakPolarHBondContact O-CE2 3.48Å; A134-F137 PolarHBondContact O-N 3.4Å; A134-F137 VanDerWaalsContact O-N 3.09Å; C135-F137 PolarHBondContact O-N 2.9Å |
| 138 | F | 93.3 | Very high | 92.3 | Very high | 124 Ų | 124 | 74 Ų | 74 | 54% | 0.544 | 40% | 0.396 | S | S | . | . | trans | -104.8 | 124.8 | -179.8 | -56.4 | -83.1 | 0 | 0 | 0 | 110.1 | W64 A134 C135 A140 F141 | W64-F138 PolarHBondContact NE1-O 3.34Å; A134-F138 VanDerWaalsContact O-CD2 3.29Å; A134-F138 WeakPolarHBondContact O-CD2 3.4Å; A134-F138 WeakPolarHBondContact O-CE2 3.28Å; C135-F138 PolarHBondContact O-N 2.82Å; C135-F138 VanDerWaalsContact O-N 3.15Å; F138-A140 PolarHBondContact O-N 2.78Å; F138-F141 HydrophobicContact CB-CD2 3.85Å; F138-F141 HydrophobicContact CB-CE2 4.02Å; F138-F141 HydrophobicContact CD2-CE2 4.28Å; F138-F141 HydrophobicContact CG-CE2 4.4Å; F138-F141 PolarHBondContact O-N 3.49Å | ||
| 139 | E | 89.1 | Confident | 92.1 | Very high | 162 Ų | 162 | 77.6 Ų | 77.6 | 76% | 0.757 | 41% | 0.412 | S | S | * | . | G | 310 helix | trans | -67.4 | -22.2 | 177.5 | -66.5 | -174.9 | 168.9 | 0 | 0 | 112.8 | F141 N142 | E139-F141 PolarHBondContact O-N 3.42Å; E139-F141 VanDerWaalsContact O-N 3.07Å; E139-N142 WeakPolarHBondContact O-CB 3.27Å; E139-N142 PolarHBondContact O-N 3.37Å |
| 140 | A | 90.7 | Very high | 91.9 | Very high | 88 Ų | 88 | 79 Ų | 79 | 73% | 0.727 | 42% | 0.42 | S | S | * | . | G | 310 helix | trans | -56.2 | -27.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | F138 | F138-A140 PolarHBondContact O-N 2.78Š|
| 141 | F | 88.8 | Confident | 91.7 | Very high | 97 Ų | 97 | 77.8 Ų | 77.8 | 43% | 0.425 | 42% | 0.416 | S | S | . | . | G | 310 helix | trans | -93.4 | 0.5 | 177.2 | -55.7 | -68.8 | 0 | 0 | 0 | 113.6 | V67 C135 F138 E139 V143 | V67-F141 HydrophobicContact CG2-CB 3.66Å; V67-F141 HydrophobicContact CG2-CG 4.44Å; C135-F141 HydrophobicContact CB-CD2 3.97Å; C135-F141 HydrophobicContact CB-CE2 4.35Å; C135-F141 HydrophobicContact CB-CG 4.47Å; F138-F141 HydrophobicContact CB-CD2 3.85Å; F138-F141 HydrophobicContact CB-CE2 4.02Å; F138-F141 HydrophobicContact CD2-CE2 4.28Å; F138-F141 HydrophobicContact CG-CE2 4.4Å; F138-F141 PolarHBondContact O-N 3.49Å; E139-F141 PolarHBondContact O-N 3.42Å; E139-F141 VanDerWaalsContact O-N 3.07Å; F141-V143 PolarHBondContact O-N 3.46Å |
| 142 | N | 90.4 | Very high | 91.6 | Very high | 62 Ų | 62 | 80.4 Ų | 80.4 | 33% | 0.332 | 43% | 0.425 | S | S | . | . | trans | -94.7 | 77.5 | -179.8 | -165.8 | 16.9 | 0 | 0 | 0 | 110.9 | W64 E139 | W64-N142 HydrophobicContact CD2-CB 4.03Å; W64-N142 HydrophobicContact CG-CB 4.28Å; W64-N142 HydrophobicContact CZ2-CB 4.01Å; W64-N142 PolarHBondContact N-OD1 2.85Å; E139-N142 WeakPolarHBondContact O-CB 3.27Å; E139-N142 PolarHBondContact O-N 3.37Å | ||
| 143 | V | 87.9 | Confident | 91.4 | Very high | 69 Ų | 69 | 85.9 Ų | 85.9 | 42% | 0.418 | 45% | 0.445 | S | S | . | . | trans | -93.2 | 129.3 | 177.5 | -176.4 | 0 | 0 | 0 | 0 | 109.6 | I66 F141 V145 | I66-V143 HydrophobicContact CD1-CB 3.71Å; I66-V143 HydrophobicContact CD1-CG1 4.33Å; I66-V143 HydrophobicContact CD1-CG2 4.14Å; F141-V143 PolarHBondContact O-N 3.46Å; V143-V145 HydrophobicContact CG1-CG1 4.24Å; V143-V145 PolarHBondContact O-N 3.21Å; V143-V145 VanDerWaalsContact O-N 3.16Å | ||
| 144 | P | 88.3 | Confident | 91.4 | Very high | 123 Ų | 123 | 87.1 Ų | 87.1 | 80% | 0.799 | 45% | 0.45 | S | S | * | . | trans | -66.3 | 115.1 | 176.2 | 27.3 | -33.4 | 0 | 0 | 0 | 109.8 | ||||
| 145 | V | 89.3 | Confident | 91.3 | Very high | 50 Ų | 50 | 89.1 Ų | 89.1 | 30% | 0.303 | 45% | 0.453 | S | S | . | . | trans | -135.3 | 152.6 | 179.4 | -66.4 | 0 | 0 | 0 | 0 | 109.6 | Y65 I66 V143 W147 L150 | Y65-V145 HydrophobicContact CD2-CG2 4.38Å; I66-V145 HydrophobicContact CD1-CG1 3.91Å; I66-V145 HydrophobicContact CG1-CG1 4.14Å; I66-V145 HydrophobicContact CG1-CG2 4.09Å; V143-V145 HydrophobicContact CG1-CG1 4.24Å; V143-V145 PolarHBondContact O-N 3.21Å; V143-V145 VanDerWaalsContact O-N 3.16Å; V145-W147 VanDerWaalsContact C-N 3.28Å; V145-W147 PolarHBondContact O-N 3.42Å; V145-L150 HydrophobicContact CB-CD1 4.48Å; V145-L150 HydrophobicContact CG2-CD1 3.68Å | ||
| 146 | F | 89.1 | Confident | 91.3 | Very high | 171 Ų | 171 | 92.7 Ų | 92.7 | 75% | 0.75 | 47% | 0.468 | S | S | * | . | trans | -67.3 | 88.7 | 169.7 | -99.4 | -94 | 0 | 0 | 0 | 109.7 | P148 I149 | F146-P148 VanDerWaalsContact C-N 3.31Å; F146-I149 HydrophobicContact CB-CG2 3.9Å; F146-I149 WeakPolarHBondContact O-CG2 3.13Å; F146-I149 PolarHBondContact O-N 2.84Å | ||
| 147 | W | 89.8 | Confident | 91.3 | Very high | 120 Ų | 120 | 95.8 Ų | 95.8 | 46% | 0.455 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -58.7 | -30.5 | -179.1 | 72.5 | -93.1 | 0 | 0 | 0 | 114.9 | Y65 V145 I149 L150 V151 | Y65-W147 HydrophobicContact CD1-CB 3.45Å; Y65-W147 VanDerWaalsContact CD1-CB 3.45Å; Y65-W147 AromaticContact CD1-CG 3.97Å; Y65-W147 HydrophobicContact CD1-CG 3.97Å; Y65-W147 HydrophobicContact CD2-CB 3.79Å; Y65-W147 HydrophobicContact CD2-CG 4.4Å; Y65-W147 HydrophobicContact CE1-CB 3.77Å; Y65-W147 HydrophobicContact CE1-CD2 4.24Å; Y65-W147 AromaticContact CE1-CG 3.74Å; Y65-W147 HydrophobicContact CE1-CG 3.74Å; Y65-W147 HydrophobicContact CE2-CB 4.09Å; Y65-W147 AromaticContact CE2-CD1 3.95Å; Y65-W147 HydrophobicContact CE2-CG 4.21Å; Y65-W147 HydrophobicContact CG-CB 3.45Å; Y65-W147 VanDerWaalsContact CG-CB 3.45Å; Y65-W147 HydrophobicContact CG-CG 4.28Å; Y65-W147 AromaticContact CZ-CD1 3.7Å; Y65-W147 AromaticContact CZ-CG 3.87Å; V145-W147 VanDerWaalsContact C-N 3.28Å; V145-W147 PolarHBondContact O-N 3.42Å; W147-I149 VanDerWaalsContact C-N 3.27Å; W147-I149 PolarHBondContact O-N 3.3Å; W147-L150 WeakPolarHBondContact O-CB 3.2Å; W147-L150 PolarHBondContact O-N 2.95Å; W147-L150 VanDerWaalsContact O-N 3.14Å; W147-V151 HydrophobicContact CE3-CG2 3.89Å; W147-V151 HydrophobicContact CZ3-CG2 4.16Å; W147-V151 PolarHBondContact O-N 3.35Å; W147-V151 VanDerWaalsContact O-N 3.09Å |
| 148 | P | 92.6 | Very high | 91.3 | Very high | 59 Ų | 59 | 93.1 Ų | 93.1 | 38% | 0.383 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.7 | -35.1 | 177.4 | -23.5 | 36.2 | 0 | 0 | 0 | 112.4 | F146 L150 V151 M152 | F146-P148 VanDerWaalsContact C-N 3.31Å; P148-L150 VanDerWaalsContact C-N 3.33Å; P148-L150 PolarHBondContact O-N 3.43Å; P148-V151 PolarHBondContact O-N 3.15Å; P148-M152 WeakPolarHBondContact O-CG 3.25Å; P148-M152 PolarHBondContact O-N 3.28Å |
| 149 | I | 92.9 | Very high | 91.3 | Very high | 85 Ų | 85 | 90.6 Ų | 90.6 | 44% | 0.436 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -68 | -37.2 | 178 | -165.8 | 65.5 | 0 | 0 | 0 | 110.8 | F146 W147 V151 M152 Y153 | F146-I149 HydrophobicContact CB-CG2 3.9Å; F146-I149 WeakPolarHBondContact O-CG2 3.13Å; F146-I149 PolarHBondContact O-N 2.84Å; W147-I149 VanDerWaalsContact C-N 3.27Å; W147-I149 PolarHBondContact O-N 3.3Å; I149-V151 VanDerWaalsContact C-N 3.34Å; I149-V151 PolarHBondContact O-N 2.92Å; I149-M152 PolarHBondContact O-N 3.23Å; I149-Y153 HydrophobicContact CD1-CD2 4.37Å; I149-Y153 HydrophobicContact CD1-CE2 3.98Å; I149-Y153 HydrophobicContact CG1-CD2 3.74Å; I149-Y153 HydrophobicContact CG1-CE2 3.39Å; I149-Y153 WeakPolarHBondContact O-CD2 3.37Å; I149-Y153 PolarHBondContact O-N 3Å |
| 150 | L | 91.4 | Very high | 91.4 | Very high | 35 Ų | 35 | 87.8 Ų | 87.8 | 18% | 0.183 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -63.6 | -40.5 | 176 | -65.9 | 178.3 | 0 | 0 | 0 | 111.9 | Y69 V145 W147 P148 Y153 F154 | Y69-L150 HydrophobicContact CD1-CD2 4.44Å; Y69-L150 HydrophobicContact CD2-CB 4.09Å; Y69-L150 HydrophobicContact CD2-CD2 4.43Å; Y69-L150 HydrophobicContact CE1-CD2 4.49Å; Y69-L150 HydrophobicContact CE2-CD2 4.5Å; Y69-L150 HydrophobicContact CG-CD2 4.39Å; V145-L150 HydrophobicContact CB-CD1 4.48Å; V145-L150 HydrophobicContact CG2-CD1 3.68Å; W147-L150 WeakPolarHBondContact O-CB 3.2Å; W147-L150 PolarHBondContact O-N 2.95Å; W147-L150 VanDerWaalsContact O-N 3.14Å; P148-L150 VanDerWaalsContact C-N 3.33Å; P148-L150 PolarHBondContact O-N 3.43Å; L150-Y153 PolarHBondContact O-N 3.02Å; L150-F154 WeakPolarHBondContact O-CB 3.43Å; L150-F154 PolarHBondContact O-N 3.02Å |
| 151 | V | 91.1 | Very high | 91.4 | Very high | 67 Ų | 67 | 84.9 Ų | 84.9 | 41% | 0.406 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -63.8 | -45.3 | 175.8 | 175.1 | 0 | 0 | 0 | 0 | 110.6 | W147 P148 I149 Y153 F154 I155 | W147-V151 HydrophobicContact CE3-CG2 3.89Å; W147-V151 HydrophobicContact CZ3-CG2 4.16Å; W147-V151 PolarHBondContact O-N 3.35Å; W147-V151 VanDerWaalsContact O-N 3.09Å; P148-V151 PolarHBondContact O-N 3.15Å; I149-V151 VanDerWaalsContact C-N 3.34Å; I149-V151 PolarHBondContact O-N 2.92Å; V151-Y153 PolarHBondContact O-N 3.22Å; V151-F154 PolarHBondContact O-N 2.63Å; V151-I155 HydrophobicContact CG1-CD1 3.81Å; V151-I155 HydrophobicContact CG1-CG1 4.4Å; V151-I155 WeakPolarHBondContact O-CG1 3.35Å; V151-I155 PolarHBondContact O-N 2.88Å |
| 152 | M | 93.8 | Very high | 91.3 | Very high | 132 Ų | 132 | 81.5 Ų | 81.5 | 65% | 0.65 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -60 | -45.6 | 176 | -73.6 | -63.8 | -147.3 | 0 | 0 | 112.1 | P148 I149 F154 I155 M156 | P148-M152 WeakPolarHBondContact O-CG 3.25Å; P148-M152 PolarHBondContact O-N 3.28Å; I149-M152 PolarHBondContact O-N 3.23Å; M152-F154 VanDerWaalsContact C-N 3.33Å; M152-F154 PolarHBondContact O-N 2.87Å; M152-I155 PolarHBondContact O-N 3.45Å; M152-M156 WeakPolarHBondContact O-CB 3.13Å; M152-M156 PolarHBondContact O-N 2.89Å |
| 153 | Y | 93 | Very high | 91.2 | Very high | 120 Ų | 120 | 86.3 Ų | 86.3 | 47% | 0.471 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -59.7 | -43.8 | 174.4 | -82.7 | -61.9 | 0 | 0 | 0 | 111.9 | I149 L150 V151 M156 L157 | I149-Y153 HydrophobicContact CD1-CD2 4.37Å; I149-Y153 HydrophobicContact CD1-CE2 3.98Å; I149-Y153 HydrophobicContact CG1-CD2 3.74Å; I149-Y153 HydrophobicContact CG1-CE2 3.39Å; I149-Y153 WeakPolarHBondContact O-CD2 3.37Å; I149-Y153 PolarHBondContact O-N 3Å; L150-Y153 PolarHBondContact O-N 3.02Å; V151-Y153 PolarHBondContact O-N 3.22Å; Y153-M156 HydrophobicContact CD1-CE 3.84Å; Y153-M156 HydrophobicContact CE1-CE 4.19Å; Y153-M156 PolarHBondContact O-N 3.48Å; Y153-L157 WeakPolarHBondContact O-CB 3.48Å; Y153-L157 PolarHBondContact O-N 3.44Å |
| 154 | F | 93.6 | Very high | 91.1 | Very high | 57 Ų | 57 | 92.2 Ų | 92.2 | 25% | 0.25 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -62 | -46.2 | 178.3 | -179.1 | -100.6 | 0 | 0 | 0 | 111.6 | Y69 G72 I73 L76 L150 V151 M152 L157 F158 | Y69-F154 HydrophobicContact CD2-CB 4.33Å; Y69-F154 HydrophobicContact CE2-CB 4.07Å; G72-F154 VanDerWaalsContact C-CE2 3.42Å; G72-F154 WeakPolarHBondContact O-CE2 3.29Å; I73-F154 HydrophobicContact CG1-CD2 4.43Å; L76-F154 HydrophobicContact CB-CE2 4.49Å; L150-F154 WeakPolarHBondContact O-CB 3.43Å; L150-F154 PolarHBondContact O-N 3.02Å; V151-F154 PolarHBondContact O-N 2.63Å; M152-F154 VanDerWaalsContact C-N 3.33Å; M152-F154 PolarHBondContact O-N 2.87Å; F154-L157 PolarHBondContact O-N 3.48Å; F154-F158 HydrophobicContact CZ-CD2 4.39Å; F154-F158 WeakPolarHBondContact O-CB 3.29Å; F154-F158 PolarHBondContact O-N 2.87Å |
| 155 | I | 94 | Very high | 90.9 | Very high | 86 Ų | 86 | 87.8 Ų | 87.8 | 44% | 0.441 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61.8 | -47.4 | 178.2 | -67.8 | 168 | 0 | 0 | 0 | 110.5 | V151 M152 F158 C159 | V151-I155 HydrophobicContact CG1-CD1 3.81Å; V151-I155 HydrophobicContact CG1-CG1 4.4Å; V151-I155 WeakPolarHBondContact O-CG1 3.35Å; V151-I155 PolarHBondContact O-N 2.88Å; M152-I155 PolarHBondContact O-N 3.45Å; I155-F158 PolarHBondContact O-N 2.95Å; I155-C159 WeakPolarHBondContact O-CB 3.2Å; I155-C159 PolarHBondContact O-N 3.13Å; I155-C159 PolarHBondContact O-SG 3.21Å |
| 156 | M | 94.3 | Very high | 90.7 | Very high | 103 Ų | 103 | 89.3 Ų | 89.3 | 51% | 0.507 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -60.4 | -49.3 | 178.2 | -177.9 | -180 | 64.8 | 0 | 0 | 111.4 | M152 Y153 F158 C159 I160 | M152-M156 WeakPolarHBondContact O-CB 3.13Å; M152-M156 PolarHBondContact O-N 2.89Å; Y153-M156 HydrophobicContact CD1-CE 3.84Å; Y153-M156 HydrophobicContact CE1-CE 4.19Å; Y153-M156 PolarHBondContact O-N 3.48Å; M156-F158 PolarHBondContact O-N 3.49Å; M156-C159 PolarHBondContact O-N 2.69Å; M156-I160 HydrophobicContact CG-CD1 3.73Å; M156-I160 HydrophobicContact CG-CG1 4.48Å; M156-I160 WeakPolarHBondContact O-CB 3.28Å; M156-I160 VanDerWaalsContact O-CG1 3.28Å; M156-I160 WeakPolarHBondContact O-CG1 3.16Å; M156-I160 PolarHBondContact O-N 3.24Å |
| 157 | L | 92.1 | Very high | 90.5 | Very high | 67 Ų | 67 | 88.8 Ų | 88.8 | 35% | 0.351 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -59.7 | -46.7 | 177.4 | -179.3 | 69.6 | 0 | 0 | 0 | 111.1 | I73 L76 Y153 F154 I160 T161 | I73-L157 HydrophobicContact CG1-CD2 4.27Å; L76-L157 HydrophobicContact CD2-CD2 4.3Å; L76-L157 HydrophobicContact CD2-CG 4.24Å; Y153-L157 WeakPolarHBondContact O-CB 3.48Å; Y153-L157 PolarHBondContact O-N 3.44Å; F154-L157 PolarHBondContact O-N 3.48Å; L157-I160 PolarHBondContact O-N 3.35Å; L157-T161 WeakPolarHBondContact O-CB 3.31Å; L157-T161 PolarHBondContact O-N 3.33Å; L157-T161 PolarHBondContact O-OG1 3.04Å |
| 158 | F | 91.9 | Very high | 90.1 | Very high | 79 Ų | 79 | 85.4 Ų | 85.4 | 35% | 0.346 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -57.2 | -52.6 | 178 | 179.4 | -90.6 | 0 | 0 | 0 | 110.8 | L76 F154 I155 M156 T161 M162 | L76-F158 HydrophobicContact CD1-CD2 3.6Å; L76-F158 HydrophobicContact CD1-CE2 3.98Å; L76-F158 HydrophobicContact CD2-CB 4.39Å; L76-F158 HydrophobicContact CD2-CD2 4.38Å; L76-F158 HydrophobicContact CG-CD2 4.47Å; F154-F158 HydrophobicContact CZ-CD2 4.39Å; F154-F158 WeakPolarHBondContact O-CB 3.29Å; F154-F158 PolarHBondContact O-N 2.87Å; I155-F158 PolarHBondContact O-N 2.95Å; M156-F158 PolarHBondContact O-N 3.49Å; F158-T161 PolarHBondContact O-N 2.93Å; F158-M162 HydrophobicContact CD1-CG 4.17Å; F158-M162 HydrophobicContact CD2-CG 4.36Å; F158-M162 HydrophobicContact CE1-CG 3.84Å; F158-M162 HydrophobicContact CE2-CG 4.03Å; F158-M162 HydrophobicContact CG-CG 4.41Å; F158-M162 HydrophobicContact CZ-CG 3.75Å; F158-M162 VanDerWaalsContact O-CB 3.25Å; F158-M162 WeakPolarHBondContact O-CB 3.43Å; F158-M162 VanDerWaalsContact O-CG 3.27Å; F158-M162 WeakPolarHBondContact O-CG 3.17Å; F158-M162 PolarHBondContact O-N 2.78Å |
| 159 | C | 92.9 | Very high | 89.4 | Confident | 70 Ų | 70 | 83.8 Ų | 83.8 | 47% | 0.473 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -62.3 | -47.1 | -179.3 | -72.6 | 0 | 0 | 0 | 0 | 112.4 | I155 M156 T161 K163 | I155-C159 WeakPolarHBondContact O-CB 3.2Å; I155-C159 PolarHBondContact O-N 3.13Å; I155-C159 PolarHBondContact O-SG 3.21Å; M156-C159 PolarHBondContact O-N 2.69Å; C159-T161 VanDerWaalsContact C-N 3.33Å; C159-T161 PolarHBondContact O-N 3.01Å; C159-K163 WeakPolarHBondContact O-CB 3.46Å; C159-K163 PolarHBondContact O-N 3.38Å |
| 160 | I | 92.1 | Very high | 88.7 | Confident | 104 Ų | 104 | 85.4 Ų | 85.4 | 53% | 0.533 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -61.1 | -46 | 177.8 | -70 | 171.6 | 0 | 0 | 0 | 110.3 | M156 L157 K163 R164 | M156-I160 HydrophobicContact CG-CD1 3.73Å; M156-I160 HydrophobicContact CG-CG1 4.48Å; M156-I160 WeakPolarHBondContact O-CB 3.28Å; M156-I160 VanDerWaalsContact O-CG1 3.28Å; M156-I160 WeakPolarHBondContact O-CG1 3.16Å; M156-I160 PolarHBondContact O-N 3.24Å; L157-I160 PolarHBondContact O-N 3.35Å; I160-K163 PolarHBondContact O-N 3.44Å; I160-R164 WeakPolarHBondContact O-CB 3.26Å; I160-R164 PolarHBondContact O-N 2.8Å |
| 161 | T | 89.7 | Confident | 88.1 | Confident | 26 Ų | 26 | 90.3 Ų | 90.3 | 16% | 0.16 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -67.2 | -46.5 | -176.8 | -52.9 | 0 | 0 | 0 | 0 | 110.9 | I80 L157 F158 C159 K163 R164 Q165 | I80-T161 HydrophobicContact CD1-CG2 3.22Å; I80-T161 HydrophobicContact CG1-CG2 3.89Å; L157-T161 WeakPolarHBondContact O-CB 3.31Å; L157-T161 PolarHBondContact O-N 3.33Å; L157-T161 PolarHBondContact O-OG1 3.04Å; F158-T161 PolarHBondContact O-N 2.93Å; C159-T161 VanDerWaalsContact C-N 3.33Å; C159-T161 PolarHBondContact O-N 3.01Å; T161-K163 PolarHBondContact O-N 2.79Å; T161-R164 PolarHBondContact O-N 3.23Å; T161-Q165 VanDerWaalsContact O-CG 3.31Å; T161-Q165 WeakPolarHBondContact O-CG 3.18Å; T161-Q165 PolarHBondContact O-N 2.94Å |
| 162 | M | 87.8 | Confident | 87 | Confident | 27 Ų | 27 | 89.2 Ų | 89.2 | 13% | 0.133 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -61.9 | -43.1 | 176.2 | -75 | -53.6 | -54.6 | 0 | 0 | 112.4 | F79 L83 F158 R164 Q165 I166 | F79-M162 HydrophobicContact CD1-CE 4.22Å; F79-M162 HydrophobicContact CD1-SD 3.61Å; F79-M162 HydrophobicContact CE1-CE 3.54Å; F79-M162 HydrophobicContact CE1-SD 3.54Å; F79-M162 VanDerWaalsContact CE1-SD 3.54Å; L83-M162 HydrophobicContact CD1-CE 3.87Å; L83-M162 HydrophobicContact CD1-SD 4.4Å; F158-M162 HydrophobicContact CD1-CG 4.17Å; F158-M162 HydrophobicContact CD2-CG 4.36Å; F158-M162 HydrophobicContact CE1-CG 3.84Å; F158-M162 HydrophobicContact CE2-CG 4.03Å; F158-M162 HydrophobicContact CG-CG 4.41Å; F158-M162 HydrophobicContact CZ-CG 3.75Å; F158-M162 VanDerWaalsContact O-CB 3.25Å; F158-M162 WeakPolarHBondContact O-CB 3.43Å; F158-M162 VanDerWaalsContact O-CG 3.27Å; F158-M162 WeakPolarHBondContact O-CG 3.17Å; F158-M162 PolarHBondContact O-N 2.78Å; M162-R164 VanDerWaalsContact C-N 3.33Å; M162-R164 PolarHBondContact O-N 3.03Å; M162-Q165 PolarHBondContact O-N 3.24Å; M162-I166 HydrophobicContact CE-CD1 4.35Å; M162-I166 WeakPolarHBondContact O-CB 3.28Å; M162-I166 VanDerWaalsContact O-CG1 3.26Å; M162-I166 WeakPolarHBondContact O-CG1 3.43Å; M162-I166 PolarHBondContact O-N 3.24Å |
| 163 | K | 87.8 | Confident | 85.7 | Confident | 162 Ų | 162 | 91.8 Ų | 91.8 | 70% | 0.704 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -59.4 | -44.2 | 174.7 | -177.5 | 179 | -179.8 | 179.1 | 0 | 111.4 | C159 I160 T161 K167 | C159-K163 WeakPolarHBondContact O-CB 3.46Å; C159-K163 PolarHBondContact O-N 3.38Å; I160-K163 PolarHBondContact O-N 3.44Å; T161-K163 PolarHBondContact O-N 2.79Å; K163-K167 WeakPolarHBondContact O-CB 3.31Å; K163-K167 PolarHBondContact O-N 3.18Å |
| 164 | R | 85.5 | Confident | 84.4 | Confident | 194 Ų | 194 | 86.3 Ų | 86.3 | 73% | 0.732 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -63.1 | -45.3 | 176.6 | -176 | 177.6 | 178.2 | 176.9 | 0.1 | 111.4 | I160 T161 M162 K167 H168 | I160-R164 WeakPolarHBondContact O-CB 3.26Å; I160-R164 PolarHBondContact O-N 2.8Å; T161-R164 PolarHBondContact O-N 3.23Å; M162-R164 VanDerWaalsContact C-N 3.33Å; M162-R164 PolarHBondContact O-N 3.03Å; R164-K167 PolarHBondContact O-N 2.91Å; R164-H168 PolarHBondContact O-N 3.38Å |
| 165 | Q | 84.6 | Confident | 82.9 | Confident | 29 Ų | 29 | 89 Ų | 89 | 14% | 0.136 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -61.9 | -48 | 177.9 | -68.2 | -52.2 | -41.1 | 0 | 0 | 111.5 | I80 T161 M162 K167 H168 M169 | I80-Q165 HydrophobicContact CG1-CG 4.16Å; I80-Q165 HydrophobicContact CG2-CG 4.13Å; T161-Q165 VanDerWaalsContact O-CG 3.31Å; T161-Q165 WeakPolarHBondContact O-CG 3.18Å; T161-Q165 PolarHBondContact O-N 2.94Å; M162-Q165 PolarHBondContact O-N 3.24Å; Q165-K167 PolarHBondContact O-N 2.94Å; Q165-H168 WeakPolarHBondContact O-CB 3.46Å; Q165-H168 PolarHBondContact O-N 3.04Å; Q165-M169 WeakPolarHBondContact O-CG 3.43Å; Q165-M169 PolarHBondContact O-N 2.78Å |
| 166 | I | 84.9 | Confident | 81 | Confident | 83 Ų | 83 | 86 Ų | 86 | 43% | 0.426 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -61.9 | -42.5 | 178.1 | -66.7 | 165.5 | 0 | 0 | 0 | 111.1 | M162 H168 M169 I170 | M162-I166 HydrophobicContact CE-CD1 4.35Å; M162-I166 WeakPolarHBondContact O-CB 3.28Å; M162-I166 VanDerWaalsContact O-CG1 3.26Å; M162-I166 WeakPolarHBondContact O-CG1 3.43Å; M162-I166 PolarHBondContact O-N 3.24Å; I166-H168 VanDerWaalsContact C-N 3.3Å; I166-H168 PolarHBondContact O-N 3.42Å; I166-M169 WeakPolarHBondContact O-CB 3.18Å; I166-M169 PolarHBondContact O-N 3.44Å; I166-I170 HydrophobicContact CG2-CD1 3.72Å; I166-I170 HydrophobicContact CG2-CG1 4.34Å; I166-I170 VanDerWaalsContact O-CG1 3.29Å; I166-I170 WeakPolarHBondContact O-CG1 3.44Å; I166-I170 PolarHBondContact O-N 3.39Å |
| 167 | K | 83.9 | Confident | 79.2 | Confident | 159 Ų | 159 | 87.3 Ų | 87.3 | 69% | 0.691 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -60.1 | -40.7 | 176.6 | -169.5 | 178.7 | -168.9 | -178.6 | 0 | 111.9 | K163 R164 Q165 I170 K171 | K163-K167 WeakPolarHBondContact O-CB 3.31Å; K163-K167 PolarHBondContact O-N 3.18Å; R164-K167 PolarHBondContact O-N 2.91Å; Q165-K167 PolarHBondContact O-N 2.94Å; K167-I170 PolarHBondContact O-N 3.48Å; K167-K171 WeakPolarHBondContact O-CB 3.43Å; K167-K171 PolarHBondContact O-N 2.76Å |
| 168 | H | 81.8 | Confident | 77.3 | Confident | 50 Ų | 50 | 89 Ų | 89 | 23% | 0.231 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -64.9 | -45 | 176.2 | -169 | -101.5 | 0 | 0 | 0 | 111.6 | D88 R164 Q165 I166 I170 K171 Y172 Y174 | D88-H168 IonicContact OD1-CE1 3.85Å; D88-H168 IonicContact OD1-NE2 3.99Å; R164-H168 PolarHBondContact O-N 3.38Å; Q165-H168 WeakPolarHBondContact O-CB 3.46Å; Q165-H168 PolarHBondContact O-N 3.04Å; I166-H168 VanDerWaalsContact C-N 3.3Å; I166-H168 PolarHBondContact O-N 3.42Å; H168-I170 VanDerWaalsContact C-N 3.3Å; H168-I170 PolarHBondContact O-N 3.37Å; H168-K171 PolarHBondContact O-N 3.4Å; H168-Y172 AromaticContact CD2-CD2 3.52Å; H168-Y172 AromaticContact CD2-CE2 3.43Å; H168-Y172 VanDerWaalsContact CD2-CE2 3.43Å; H168-Y172 WeakPolarHBondContact CD2-CE2 3.25Å; H168-Y172 AromaticContact CE1-CD2 3.57Å; H168-Y172 AromaticContact CE1-CE2 3.91Å; H168-Y172 AromaticContact CG-CD2 3.89Å; H168-Y172 AromaticContact ND1-CD2 3.92Å; H168-Y172 AromaticContact NE2-CD2 3.31Å; H168-Y172 VanDerWaalsContact NE2-CD2 3.31Å; H168-Y172 WeakPolarHBondContact NE2-CD2 3.49Å; H168-Y172 AromaticContact NE2-CE2 3.18Å; H168-Y172 WeakPolarHBondContact NE2-CE2 3.4Å; H168-Y172 WeakPolarHBondContact O-CD2 3.41Å; H168-Y172 PolarHBondContact O-N 2.96Å; H168-Y174 AromaticContact CE1-CE1 3.88Å; H168-Y174 AromaticContact ND1-CE1 3.4Å; H168-Y174 WeakPolarHBondContact ND1-CE1 3.35Å; H168-Y174 AromaticContact ND1-CZ 3.78Å; H168-Y174 PolarHBondContact ND1-OH 3.43Å |
| 169 | M | 78.5 | Confident | 75.1 | Confident | 24 Ų | 24 | 94 Ų | 94 | 12% | 0.118 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -58.5 | -41.4 | 175.6 | -65.9 | 165.6 | 75.1 | 0 | 0 | 112.3 | L83 Q165 I166 R173 Y174 P176 | L83-M169 HydrophobicContact CD2-CE 4.44Å; Q165-M169 WeakPolarHBondContact O-CG 3.43Å; Q165-M169 PolarHBondContact O-N 2.78Å; I166-M169 WeakPolarHBondContact O-CB 3.18Å; I166-M169 PolarHBondContact O-N 3.44Å; M169-R173 WeakPolarHBondContact O-CA 3.31Å; M169-R173 PolarHBondContact O-N 3.13Å; M169-Y174 HydrophobicContact CB-CD2 4.34Å; M169-Y174 HydrophobicContact CB-CE2 4.11Å; M169-Y174 HydrophobicContact CE-CE2 4.49Å; M169-Y174 HydrophobicContact CG-CD2 4.03Å; M169-Y174 HydrophobicContact CG-CE1 4.45Å; M169-Y174 HydrophobicContact CG-CE2 3.36Å; M169-Y174 WeakPolarHBondContact CG-OH 3.37Å; M169-Y174 PolarHBondContact O-N 3.28Å; M169-P176 HydrophobicContact CE-CB 4.47Å; M169-P176 HydrophobicContact CE-CG 3.52Å |
| 170 | I | 78.9 | Confident | 73 | Confident | 120 Ų | 120 | 93.6 Ų | 93.6 | 62% | 0.615 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -69.6 | -45 | 176.8 | -66.2 | 167.5 | 0 | 0 | 0 | 110.6 | I166 K167 H168 Y172 R173 | I166-I170 HydrophobicContact CG2-CD1 3.72Å; I166-I170 HydrophobicContact CG2-CG1 4.34Å; I166-I170 VanDerWaalsContact O-CG1 3.29Å; I166-I170 WeakPolarHBondContact O-CG1 3.44Å; I166-I170 PolarHBondContact O-N 3.39Å; K167-I170 PolarHBondContact O-N 3.48Å; H168-I170 VanDerWaalsContact C-N 3.3Å; H168-I170 PolarHBondContact O-N 3.37Å; I170-Y172 VanDerWaalsContact C-N 3.34Å; I170-Y172 PolarHBondContact O-N 3.25Å; I170-R173 PolarHBondContact O-N 2.66Å |
| 171 | K | 77.1 | Confident | 70.7 | Confident | 137 Ų | 137 | 98.4 Ų | 98.4 | 60% | 0.596 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -58.4 | -46.2 | 178.9 | -174.6 | -176.1 | 177.2 | -154.2 | 0 | 111.4 | K167 H168 R173 | K167-K171 WeakPolarHBondContact O-CB 3.43Å; K167-K171 PolarHBondContact O-N 2.76Å; H168-K171 PolarHBondContact O-N 3.4Å; K171-R173 VanDerWaalsContact C-N 3.35Å |
| 172 | Y | 69.3 | Low | 68.9 | Low | 45 Ų | 45 | 105.1 Ų | 105.1 | 18% | 0.176 | 49% | 0.487 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | 13.9 | -176.7 | -67.4 | -74.5 | 0 | 0 | 0 | 113.5 | P89 E93 H168 I170 Y174 | P89-Y172 HydrophobicContact CB-CD1 3.71Å; P89-Y172 HydrophobicContact CB-CE1 4.33Å; P89-Y172 HydrophobicContact CB-CG 4.05Å; P89-Y172 HydrophobicContact CG-CG 4.49Å; E93-Y172 VanDerWaalsContact OE2-CE1 3.26Å; E93-Y172 WeakPolarHBondContact OE2-CE1 3.44Å; E93-Y172 PolarHBondContact OE2-OH 2.91Å; H168-Y172 AromaticContact CD2-CD2 3.52Å; H168-Y172 AromaticContact CD2-CE2 3.43Å; H168-Y172 VanDerWaalsContact CD2-CE2 3.43Å; H168-Y172 WeakPolarHBondContact CD2-CE2 3.25Å; H168-Y172 AromaticContact CE1-CD2 3.57Å; H168-Y172 AromaticContact CE1-CE2 3.91Å; H168-Y172 AromaticContact CG-CD2 3.89Å; H168-Y172 AromaticContact ND1-CD2 3.92Å; H168-Y172 AromaticContact NE2-CD2 3.31Å; H168-Y172 VanDerWaalsContact NE2-CD2 3.31Å; H168-Y172 WeakPolarHBondContact NE2-CD2 3.49Å; H168-Y172 AromaticContact NE2-CE2 3.18Å; H168-Y172 WeakPolarHBondContact NE2-CE2 3.4Å; H168-Y172 WeakPolarHBondContact O-CD2 3.41Å; H168-Y172 PolarHBondContact O-N 2.96Å; I170-Y172 VanDerWaalsContact C-N 3.34Å; I170-Y172 PolarHBondContact O-N 3.25Å; Y172-Y174 VanDerWaalsContact O-CB 3.25Å; Y172-Y174 WeakPolarHBondContact O-CB 3.29Å; Y172-Y174 PolarHBondContact O-N 3.42Å |
| 173 | R | 65.8 | Low | 67 | Low | 186 Ų | 186 | 113.4 Ų | 113.4 | 70% | 0.702 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 41.8 | 66.5 | 174 | -75.7 | -123.5 | -80.2 | 158.3 | -2.9 | 114.6 | E107 M169 I170 K171 | E107-R173 IonicContact OE1-CZ 3.52Å; E107-R173 IonicContact OE1-NH1 3.62Å; E107-R173 IonicContact OE1-NH2 2.66Å; E107-R173 PolarHBondContact OE1-NH2 3.38Å; M169-R173 WeakPolarHBondContact O-CA 3.31Å; M169-R173 PolarHBondContact O-N 3.13Å; I170-R173 PolarHBondContact O-N 2.66Å; K171-R173 VanDerWaalsContact C-N 3.35Å |
| 174 | Y | 66.3 | Low | 65.3 | Low | 4 Ų | 4 | 116.2 Ų | 116.2 | 2% | 0.016 | 53% | 0.529 | C | S | . | . | trans | -142.6 | 108.9 | -156 | 126.5 | -160.4 | 0 | 0 | 0 | 106.6 | L83 P85 P89 F112 H168 M169 Y172 | L83-Y174 WeakPolarHBondContact O-CE2 3.26Å; P85-Y174 VanDerWaalsContact CD-CZ 3.41Å; P85-Y174 WeakPolarHBondContact CD-OH 3.08Å; P85-Y174 HydrophobicContact CG-CD1 4.33Å; P85-Y174 HydrophobicContact CG-CE1 3.9Å; P85-Y174 HydrophobicContact CG-CE2 4.4Å; P89-Y174 HydrophobicContact CG-CD1 4.17Å; P89-Y174 HydrophobicContact CG-CE1 4.49Å; F112-Y174 AromaticContact CD1-CD2 3.79Å; F112-Y174 HydrophobicContact CD1-CD2 3.79Å; F112-Y174 HydrophobicContact CD1-CG 4.14Å; F112-Y174 HydrophobicContact CE1-CD1 4.01Å; F112-Y174 AromaticContact CE1-CD2 3.27Å; F112-Y174 HydrophobicContact CE1-CD2 3.27Å; F112-Y174 HydrophobicContact CE1-CE2 4.32Å; F112-Y174 AromaticContact CE1-CG 3.16Å; F112-Y174 HydrophobicContact CE1-CG 3.16Å; F112-Y174 VanDerWaalsContact CE2-CA 3.4Å; F112-Y174 HydrophobicContact CZ-CD1 4.39Å; F112-Y174 AromaticContact CZ-CD2 3.93Å; F112-Y174 HydrophobicContact CZ-CD2 3.93Å; F112-Y174 AromaticContact CZ-CG 3.48Å; F112-Y174 HydrophobicContact CZ-CG 3.48Å; F112-Y174 VanDerWaalsContact CZ-CG 3.48Å; H168-Y174 AromaticContact CE1-CE1 3.88Å; H168-Y174 AromaticContact ND1-CE1 3.4Å; H168-Y174 WeakPolarHBondContact ND1-CE1 3.35Å; H168-Y174 AromaticContact ND1-CZ 3.78Å; H168-Y174 PolarHBondContact ND1-OH 3.43Å; M169-Y174 HydrophobicContact CB-CD2 4.34Å; M169-Y174 HydrophobicContact CB-CE2 4.11Å; M169-Y174 HydrophobicContact CE-CE2 4.49Å; M169-Y174 HydrophobicContact CG-CD2 4.03Å; M169-Y174 HydrophobicContact CG-CE1 4.45Å; M169-Y174 HydrophobicContact CG-CE2 3.36Å; M169-Y174 WeakPolarHBondContact CG-OH 3.37Å; M169-Y174 PolarHBondContact O-N 3.28Å; Y172-Y174 VanDerWaalsContact O-CB 3.25Å; Y172-Y174 WeakPolarHBondContact O-CB 3.29Å; Y172-Y174 PolarHBondContact O-N 3.42Å | ||
| 175 | I | 61.1 | Low | 63.4 | Low | 114 Ų | 114 | 116.8 Ų | 116.8 | 59% | 0.585 | 54% | 0.537 | S | S | * | . | trans | -113 | 119.9 | -168.8 | -53.9 | 176.9 | 0 | 0 | 0 | 108.1 | F112 F177 | F112-I175 VanDerWaalsContact CD2-O 3.29Å; F112-I175 WeakPolarHBondContact CD2-O 3.35Å; I175-F177 VanDerWaalsContact CG2-O 3.28Å; I175-F177 WeakPolarHBondContact CG2-O 3.4Å; I175-F177 PolarHBondContact O-N 2.9Å | ||
| 176 | P | 54.5 | Low | 61.6 | Low | 23 Ų | 23 | 117.9 Ų | 117.9 | 15% | 0.149 | 56% | 0.557 | C | S | . | * | S | Bend | trans | -70.8 | -14.1 | -176 | 28.4 | -34 | 0 | 0 | 0 | 112.5 | L83 M169 | L83-P176 HydrophobicContact CD2-CB 4.29Å; L83-P176 HydrophobicContact CD2-CG 4.08Å; M169-P176 HydrophobicContact CE-CB 4.47Å; M169-P176 HydrophobicContact CE-CG 3.52Å |
| 177 | F | 56.3 | Low | 59.8 | Low | 131 Ų | 131 | 123.3 Ų | 123.3 | 58% | 0.575 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -111.5 | 111 | 175.5 | -70.4 | -81.6 | 0 | 0 | 0 | 110 | I175 H179 | I175-F177 VanDerWaalsContact CG2-O 3.28Å; I175-F177 WeakPolarHBondContact CG2-O 3.4Å; I175-F177 PolarHBondContact O-N 2.9Å; F177-H179 VanDerWaalsContact C-N 3.3Å; F177-H179 PolarHBondContact O-N 2.78Å |
| 178 | T | 52.7 | Low | 58.4 | Low | 103 Ų | 103 | 123.9 Ų | 123.9 | 63% | 0.632 | 58% | 0.582 | S | S | * | * | trans | -73.4 | 84.4 | 168 | 54.3 | 0 | 0 | 0 | 0 | 108.9 | G180 | T178-G180 PolarHBondContact O-N 3.19Š| ||
| 179 | H | 46.8 | Very low | 56.8 | Low | 183 Ų | 183 | 128.6 Ų | 128.6 | 85% | 0.847 | 61% | 0.609 | S | S | * | * | trans | -81.6 | 113.6 | 167.5 | -100.3 | -74.5 | 0 | 0 | 0 | 109.3 | F177 | F177-H179 VanDerWaalsContact C-N 3.3Å; F177-H179 PolarHBondContact O-N 2.78Å | ||
| 180 | G | 47.1 | Very low | 55.3 | Low | 61 Ų | 61 | 133.9 Ų | 133.9 | 63% | 0.629 | 64% | 0.642 | S | S | * | * | S | Bend | trans | 101.5 | 106.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | T178 R182 | T178-G180 PolarHBondContact O-N 3.19Å; G180-R182 PolarHBondContact O-N 3.26Å |
| 181 | K | 44.5 | Very low | 53.9 | Low | 206 Ų | 206 | 131.3 Ų | 131.3 | 90% | 0.896 | 65% | 0.646 | S | S | * | * | trans | -58.9 | 122.1 | 160.6 | -61.9 | -171.4 | -179.6 | -174.6 | 0 | 106.9 | K183 | K181-K183 PolarHBondContact O-N 3.46Š| ||
| 182 | R | 52.2 | Low | 52.6 | Low | 167 Ų | 167 | 133.9 Ų | 133.9 | 63% | 0.63 | 66% | 0.657 | S | S | * | * | trans | -60.3 | 104.4 | 161.5 | -86.8 | -174.6 | 176.8 | 172.6 | 1.3 | 106.2 | G180 Y184 | G180-R182 PolarHBondContact O-N 3.26Å; R182-Y184 PolarHBondContact O-N 2.9Å | ||
| 183 | K | 46.9 | Very low | 51.6 | Low | 201 Ų | 201 | 137.2 Ų | 137.2 | 87% | 0.874 | 68% | 0.682 | S | S | * | * | trans | -60.7 | 107.3 | 161 | -88.1 | -174.3 | 175 | -176.1 | 0 | 105.2 | K181 K185 | K181-K183 PolarHBondContact O-N 3.46Å; K183-K185 PolarHBondContact O-N 2.93Å | ||
| 184 | Y | 52.5 | Low | 50.8 | Low | 220 Ų | 220 | 138.9 Ų | 138.9 | 86% | 0.863 | 70% | 0.695 | S | S | * | * | trans | -58 | 110.7 | 161.4 | -91.7 | -99.4 | 0 | 0 | 0 | 105.9 | R182 G186 | R182-Y184 PolarHBondContact O-N 2.9Å; Y184-G186 PolarHBondContact O-N 2.81Å | ||
| 185 | K | 46.9 | Very low | 49.8 | Very low | 207 Ų | 207 | 143.6 Ų | 143.6 | 90% | 0.9 | 73% | 0.734 | S | S | * | * | trans | -63.4 | 107 | 163.7 | -124.9 | -175.1 | 176.9 | -171.7 | 0 | 104.3 | K183 K187 | K183-K185 PolarHBondContact O-N 2.93Å; K185-K187 PolarHBondContact O-N 2.84Å | ||
| 186 | G | 45.1 | Very low | 48.9 | Very low | 52 Ų | 52 | 147.5 Ų | 147.5 | 54% | 0.536 | 77% | 0.772 | S | S | . | * | trans | -50.7 | 132.6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | Y184 E188 | Y184-G186 PolarHBondContact O-N 2.81Å; G186-E188 PolarHBondContact O-N 3.25Å | ||
| 187 | K | 48.2 | Very low | 48.6 | Very low | 196 Ų | 196 | 153.7 Ų | 153.7 | 85% | 0.852 | 80% | 0.803 | S | S | * | * | trans | -70.8 | 75.7 | 171.1 | -140.4 | -176.5 | -173.1 | -176.5 | 0 | 106.2 | K185 | K185-K187 PolarHBondContact O-N 2.84Š| ||
| 188 | E | 53.7 | Low | 48.2 | Very low | 171 Ų | 171 | 154.9 Ų | 154.9 | 80% | 0.799 | 82% | 0.815 | S | S | * | * | trans | -78.3 | 137.8 | 164.2 | -63.6 | -179 | -155.9 | 0 | 0 | 106.7 | G186 | G186-E188 PolarHBondContact O-N 3.25Š| ||
| 189 | D | 49.3 | Very low | 48 | Very low | 149 Ų | 149 | 157.8 Ų | 157.8 | 80% | 0.797 | 83% | 0.825 | S | S | * | * | trans | 84.8 | 64.2 | 179.1 | -54.5 | -37.9 | 0 | 0 | 0 | 118 | ||||
| 190 | V | 47.4 | Very low | 48.1 | Very low | 135 Ų | 135 | 156.3 Ų | 156.3 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | S | Bend | trans | -122.5 | 73.2 | 142.3 | -172.6 | 0 | 0 | 0 | 0 | 107.4 | ||
| 191 | G | 49.1 | Very low | 48.1 | Very low | 67 Ų | 67 | 162.3 Ų | 162.3 | 69% | 0.691 | 84% | 0.836 | S | S | * | * | trans | -166.8 | 20.6 | -172.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 192 | K | 49.2 | Very low | 48.4 | Very low | 190 Ų | 190 | 159.3 Ų | 159.3 | 83% | 0.826 | 83% | 0.832 | S | S | * | * | trans | -150.5 | 117.2 | 163.3 | -65.7 | -175.5 | -179.5 | 169.4 | 0 | 103.9 | ||||
| 193 | T | 48 | Very low | 48.1 | Very low | 115 Ų | 115 | 158.8 Ų | 158.8 | 71% | 0.706 | 85% | 0.846 | S | S | * | * | -172 | 116.2 | 57.2 | 36.8 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 194 | F | 48.2 | Very low | 48.2 | Very low | 222 Ų | 222 | 155.5 Ų | 155.5 | 97% | 0.974 | 84% | 0.844 | S | S | * | * | trans | -153.3 | 75.8 | 151.7 | -72.6 | -68 | 0 | 0 | 0 | 108.1 | ||||
| 195 | A | 46.3 | Very low | 47.8 | Very low | 102 Ų | 102 | 150.2 Ų | 150.2 | 84% | 0.843 | 84% | 0.843 | S | S | * | * | trans | -166.8 | 89.7 | 159 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 196 | S | 42.3 | Very low | 47.9 | Very low | 196 Ų | 196 | 145 Ų | 145 | 100% | 1.371 | 84% | 0.837 | S | S | * | * | trans | -165 | 0 | 134.7 | -160.7 | 0 | 0 | 0 | 0 | 110 |
Retrieved 196 of 196 residues in 1225.1 ms
(Link to these results)