| 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 | 30.9 | Very low | 35 | Very low | 247 Ų | 247 | 138.8 Ų | 138.8 | 100% | 1.217 | 83% | 0.832 | S | S | * | * | 0 | 94.3 | 0 | -87.3 | 176.9 | 163.5 | 0 | 0 | 108.7 | |||||
| 2 | M | 33.1 | Very low | 35.7 | Very low | 198 Ų | 198 | 137.7 Ų | 137.7 | 98% | 0.975 | 82% | 0.818 | S | S | * | * | trans | -167.9 | 96.6 | 153.4 | -111.1 | 173.1 | 178.1 | 0 | 0 | 105.2 | ||||
| 3 | S | 32.5 | Very low | 36.3 | Very low | 112 Ų | 112 | 141.2 Ų | 141.2 | 78% | 0.783 | 81% | 0.811 | S | S | * | * | trans | -77.6 | 136.5 | -178.7 | 51.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 4 | T | 31.9 | Very low | 36.9 | Very low | 131 Ų | 131 | 140.7 Ų | 140.7 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | -59 | 125.2 | 166.1 | 42.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 5 | C | 32.1 | Very low | 37.5 | Very low | 131 Ų | 131 | 139.8 Ų | 139.8 | 89% | 0.885 | 78% | 0.783 | S | S | * | * | trans | -89.5 | 107 | 165 | -78.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 6 | E | 32.4 | Very low | 37.8 | Very low | 181 Ų | 181 | 139.4 Ų | 139.4 | 85% | 0.846 | 77% | 0.773 | S | S | * | * | trans | -74.8 | 153.1 | 166 | -73.9 | -179.3 | 149.3 | 0 | 0 | 111.2 | ||||
| 7 | G | 32.9 | Very low | 38.2 | Very low | 77 Ų | 77 | 139.1 Ų | 139.1 | 79% | 0.794 | 76% | 0.764 | S | S | * | * | trans | -76.2 | 154.4 | -169.3 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 8 | T | 35.7 | Very low | 38.8 | Very low | 134 Ų | 134 | 138.4 Ų | 138.4 | 82% | 0.822 | 76% | 0.755 | S | S | * | * | trans | -125.8 | 99.3 | 164.1 | 36.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 9 | T | 37.7 | Very low | 39.1 | Very low | 115 Ų | 115 | 136.2 Ų | 136.2 | 71% | 0.706 | 74% | 0.742 | S | S | * | * | trans | 38.9 | 111.4 | 138 | 25.1 | 0 | 0 | 0 | 0 | 120.9 | G11 | T9-G11 PolarHBondContact O-N 3.4Å; T9-G11 VanDerWaalsContact O-N 3.15Å | ||
| 10 | I | 42.6 | Very low | 39.4 | Very low | 145 Ų | 145 | 137.3 Ų | 137.3 | 74% | 0.744 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63 | -10.1 | 172 | -66 | 167.1 | 0 | 0 | 0 | 113.8 | N12 | I10-N12 PolarHBondContact O-N 3.25Š|
| 11 | G | 43.7 | Very low | 40.3 | Very low | 56 Ų | 56 | 133.8 Ų | 133.8 | 58% | 0.577 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -67.9 | -28.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | T9 | T9-G11 PolarHBondContact O-N 3.4Å; T9-G11 VanDerWaalsContact O-N 3.15Å |
| 12 | N | 42.8 | Very low | 41.3 | Very low | 125 Ų | 125 | 124.9 Ų | 124.9 | 67% | 0.668 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -80.1 | -22.9 | -175.8 | -82.9 | -5.7 | 0 | 0 | 0 | 114 | I10 Q16 | I10-N12 PolarHBondContact O-N 3.25Å; N12-Q16 PolarHBondContact O-N 2.77Å |
| 13 | Y | 43.2 | Very low | 42.2 | Very low | 183 Ų | 183 | 120.7 Ų | 120.7 | 72% | 0.718 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -71.7 | -39.6 | -177.6 | -89.6 | -82.6 | 0 | 0 | 0 | 112.9 | H17 | Y13-H17 WeakPolarHBondContact O-CB 3.29Å; Y13-H17 PolarHBondContact O-N 3.07Å; Y13-H17 VanDerWaalsContact O-N 3.08Å |
| 14 | H | 45.3 | Very low | 43.5 | Very low | 135 Ų | 135 | 119 Ų | 119 | 63% | 0.625 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -66 | -40.8 | -179.9 | -91.1 | -68.3 | 0 | 0 | 0 | 112.3 | H17 E18 | H14-H17 PolarHBondContact O-N 3.34Å; H14-E18 PolarHBondContact O-N 3.38Å; H14-E18 VanDerWaalsContact O-N 3.13Å |
| 15 | H | 46.3 | Very low | 44.7 | Very low | 127 Ų | 127 | 118.5 Ų | 118.5 | 59% | 0.588 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -70.9 | -35.3 | -177.9 | -144.1 | -39 | 0 | 0 | 0 | 112.7 | L19 | H15-L19 PolarHBondContact O-N 2.94Å |
| 16 | Q | 41.7 | Very low | 46.1 | Very low | 133 Ų | 133 | 115.2 Ų | 115.2 | 62% | 0.621 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -67.8 | -37.6 | 172.3 | -90.3 | -179.5 | -34.6 | 0 | 0 | 112.2 | N12 Y20 | N12-Q16 PolarHBondContact O-N 2.77Å; Q16-Y20 WeakPolarHBondContact O-CB 3.37Å; Q16-Y20 PolarHBondContact O-N 3.46Å; Q16-Y20 VanDerWaalsContact O-N 3.08Å |
| 17 | H | 44.8 | Very low | 47.6 | Very low | 134 Ų | 134 | 111.8 Ų | 111.8 | 62% | 0.62 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -66.2 | -43.6 | 179.5 | -147.4 | -66.1 | 0 | 0 | 0 | 111.4 | Y13 H14 Y20 T21 | Y13-H17 WeakPolarHBondContact O-CB 3.29Å; Y13-H17 PolarHBondContact O-N 3.07Å; Y13-H17 VanDerWaalsContact O-N 3.08Å; H14-H17 PolarHBondContact O-N 3.34Å; H17-Y20 PolarHBondContact O-N 3.43Å; H17-T21 PolarHBondContact O-N 3.23Å; H17-T21 PolarHBondContact O-OG1 3.14Å |
| 18 | E | 48.3 | Very low | 48.8 | Very low | 128 Ų | 128 | 112.2 Ų | 112.2 | 60% | 0.598 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -62.7 | -43.4 | 177.7 | -74.9 | -178.8 | 176.4 | 0 | 0 | 112.8 | H14 Y20 T21 S22 | H14-E18 PolarHBondContact O-N 3.38Å; H14-E18 VanDerWaalsContact O-N 3.13Å; E18-Y20 PolarHBondContact O-N 3.27Å; E18-T21 PolarHBondContact O-N 3.41Å; E18-T21 PolarHBondContact O-OG1 2.88Å; E18-S22 PolarHBondContact O-N 3.03Å; E18-S22 PolarHBondContact O-OG 3.31Å |
| 19 | L | 45.5 | Very low | 49.6 | Very low | 95 Ų | 95 | 112.2 Ų | 112.2 | 50% | 0.497 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -58.9 | -45.8 | 174.2 | -85.7 | 156.7 | 0 | 0 | 0 | 111.3 | H15 T21 S22 E23 | H15-L19 PolarHBondContact O-N 2.94Å; L19-T21 PolarHBondContact O-N 3.02Å; L19-S22 PolarHBondContact O-N 3.02Å; L19-S22 PolarHBondContact O-OG 2.96Å; L19-E23 PolarHBondContact O-N 3.18Å |
| 20 | Y | 45.2 | Very low | 50.2 | Low | 158 Ų | 158 | 112 Ų | 112 | 62% | 0.62 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -64.9 | -40.6 | -180 | -148.3 | -98.9 | 0 | 0 | 0 | 112.4 | Q16 H17 E18 I24 | Q16-Y20 WeakPolarHBondContact O-CB 3.37Å; Q16-Y20 PolarHBondContact O-N 3.46Å; Q16-Y20 VanDerWaalsContact O-N 3.08Å; H17-Y20 PolarHBondContact O-N 3.43Å; E18-Y20 PolarHBondContact O-N 3.27Å; Y20-I24 HydrophobicContact CD1-CD1 3.55Å; Y20-I24 HydrophobicContact CD1-CG1 4.3Å; Y20-I24 HydrophobicContact CE1-CD1 3.73Å; Y20-I24 HydrophobicContact CE1-CG1 4.41Å; Y20-I24 VanDerWaalsContact O-CG1 3.28Å; Y20-I24 WeakPolarHBondContact O-CG1 3.24Å; Y20-I24 PolarHBondContact O-N 2.74Å |
| 21 | T | 57 | Low | 50.5 | Low | 64 Ų | 64 | 107.4 Ų | 107.4 | 39% | 0.393 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65.5 | -37.3 | 175.3 | 4.4 | 0 | 0 | 0 | 0 | 113 | H17 E18 L19 Q25 | H17-T21 PolarHBondContact O-N 3.23Å; H17-T21 PolarHBondContact O-OG1 3.14Å; E18-T21 PolarHBondContact O-N 3.41Å; E18-T21 PolarHBondContact O-OG1 2.88Å; L19-T21 PolarHBondContact O-N 3.02Å; T21-Q25 WeakPolarHBondContact O-CG 3.32Å; T21-Q25 PolarHBondContact O-N 3.44Å |
| 22 | S | 53.5 | Low | 50.7 | Low | 61 Ų | 61 | 109.3 Ų | 109.3 | 43% | 0.427 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -71.9 | -37 | 178.4 | 62.1 | 0 | 0 | 0 | 0 | 112.6 | E18 L19 Q25 S26 | E18-S22 PolarHBondContact O-N 3.03Å; E18-S22 PolarHBondContact O-OG 3.31Å; L19-S22 PolarHBondContact O-N 3.02Å; L19-S22 PolarHBondContact O-OG 2.96Å; S22-Q25 PolarHBondContact O-N 3.02Å; S22-S26 WeakPolarHBondContact O-CB 3.29Å; S22-S26 PolarHBondContact O-N 3.02Å |
| 23 | E | 50.2 | Low | 50.9 | Low | 109 Ų | 109 | 108.9 Ų | 108.9 | 51% | 0.509 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.8 | -45.7 | 171.5 | -76.3 | -178.3 | 167.6 | 0 | 0 | 111.7 | L19 Q25 S26 I27 | L19-E23 PolarHBondContact O-N 3.18Å; E23-Q25 PolarHBondContact O-N 3.46Å; E23-S26 PolarHBondContact O-N 3.02Å; E23-S26 PolarHBondContact O-OG 2.98Å; E23-I27 WeakPolarHBondContact O-CG1 3.46Å; E23-I27 PolarHBondContact O-N 3.22Å |
| 24 | I | 60.9 | Low | 51 | Low | 76 Ų | 76 | 103.9 Ų | 103.9 | 39% | 0.39 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.1 | -45.5 | 176 | -69 | 167.9 | 0 | 0 | 0 | 111.1 | Y20 S26 I27 D28 | Y20-I24 HydrophobicContact CD1-CD1 3.55Å; Y20-I24 HydrophobicContact CD1-CG1 4.3Å; Y20-I24 HydrophobicContact CE1-CD1 3.73Å; Y20-I24 HydrophobicContact CE1-CG1 4.41Å; Y20-I24 VanDerWaalsContact O-CG1 3.28Å; Y20-I24 WeakPolarHBondContact O-CG1 3.24Å; Y20-I24 PolarHBondContact O-N 2.74Å; I24-S26 VanDerWaalsContact C-N 3.29Å; I24-S26 PolarHBondContact O-N 2.85Å; I24-I27 PolarHBondContact O-N 3.22Å; I24-D28 WeakPolarHBondContact O-CB 3.38Å; I24-D28 PolarHBondContact O-N 3.07Å |
| 25 | Q | 57.5 | Low | 50.9 | Low | 121 Ų | 121 | 101.4 Ų | 101.4 | 57% | 0.565 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.4 | -36.4 | 177.3 | -76.5 | 178.9 | -6.3 | 0 | 0 | 112.3 | T21 S22 E23 Q29 | T21-Q25 WeakPolarHBondContact O-CG 3.32Å; T21-Q25 PolarHBondContact O-N 3.44Å; S22-Q25 PolarHBondContact O-N 3.02Å; E23-Q25 PolarHBondContact O-N 3.46Å; Q25-Q29 VanDerWaalsContact O-CB 3.31Å; Q25-Q29 WeakPolarHBondContact O-CB 3.19Å; Q25-Q29 VanDerWaalsContact O-CG 3.24Å; Q25-Q29 WeakPolarHBondContact O-CG 3.49Å; Q25-Q29 PolarHBondContact O-N 3.39Å |
| 26 | S | 60.3 | Low | 50.8 | Low | 62 Ų | 62 | 100.5 Ų | 100.5 | 43% | 0.434 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -69.1 | -37.5 | 176 | 77.2 | 0 | 0 | 0 | 0 | 112.5 | S22 E23 I24 Q29 L30 | S22-S26 WeakPolarHBondContact O-CB 3.29Å; S22-S26 PolarHBondContact O-N 3.02Å; E23-S26 PolarHBondContact O-N 3.02Å; E23-S26 PolarHBondContact O-OG 2.98Å; I24-S26 VanDerWaalsContact C-N 3.29Å; I24-S26 PolarHBondContact O-N 2.85Å; S26-Q29 PolarHBondContact O-N 3.42Å; S26-L30 VanDerWaalsContact O-CB 3.26Å; S26-L30 WeakPolarHBondContact O-CB 3.26Å; S26-L30 PolarHBondContact O-N 3.15Å |
| 27 | I | 64 | Low | 50.8 | Low | 109 Ų | 109 | 101.3 Ų | 101.3 | 56% | 0.559 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -68.7 | -41.7 | 175.4 | -68.5 | 167.2 | 0 | 0 | 0 | 110.2 | E23 I24 L30 S31 | E23-I27 WeakPolarHBondContact O-CG1 3.46Å; E23-I27 PolarHBondContact O-N 3.22Å; I24-I27 PolarHBondContact O-N 3.22Å; I27-L30 PolarHBondContact O-N 3.42Å; I27-S31 WeakPolarHBondContact O-CB 3.44Å; I27-S31 PolarHBondContact O-N 3.34Å |
| 28 | D | 57.8 | Low | 50.7 | Low | 87 Ų | 87 | 99.3 Ų | 99.3 | 47% | 0.465 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.8 | -39.4 | 175.6 | -80.1 | -20.7 | 0 | 0 | 0 | 111.5 | I24 N32 | I24-D28 WeakPolarHBondContact O-CB 3.38Å; I24-D28 PolarHBondContact O-N 3.07Å; D28-N32 WeakPolarHBondContact O-CB 3.44Å; D28-N32 PolarHBondContact O-N 3.33Å; D28-N32 PolarHBondContact O-ND2 3.4Å |
| 29 | Q | 52.5 | Low | 50.6 | Low | 134 Ų | 134 | 97.7 Ų | 97.7 | 63% | 0.626 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.9 | -44.3 | 173.2 | -78.2 | 178.3 | -1 | 0 | 0 | 111.5 | Q25 S26 N32 H33 | Q25-Q29 VanDerWaalsContact O-CB 3.31Å; Q25-Q29 WeakPolarHBondContact O-CB 3.19Å; Q25-Q29 VanDerWaalsContact O-CG 3.24Å; Q25-Q29 WeakPolarHBondContact O-CG 3.49Å; Q25-Q29 PolarHBondContact O-N 3.39Å; S26-Q29 PolarHBondContact O-N 3.42Å; Q29-N32 PolarHBondContact O-N 2.98Å; Q29-H33 VanDerWaalsContact O-CB 3.32Å; Q29-H33 WeakPolarHBondContact O-CB 3.47Å; Q29-H33 PolarHBondContact O-N 3.48Å |
| 30 | L | 51.4 | Low | 50.9 | Low | 109 Ų | 109 | 96 Ų | 96 | 57% | 0.571 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -66.6 | -41.3 | 177 | -172.8 | 69 | 0 | 0 | 0 | 111.5 | S26 I27 H33 I34 | S26-L30 VanDerWaalsContact O-CB 3.26Å; S26-L30 WeakPolarHBondContact O-CB 3.26Å; S26-L30 PolarHBondContact O-N 3.15Å; I27-L30 PolarHBondContact O-N 3.42Å; L30-H33 PolarHBondContact O-N 2.91Å; L30-I34 HydrophobicContact CD1-CD1 4.42Å; L30-I34 HydrophobicContact CD2-CD1 4.44Å; L30-I34 HydrophobicContact CG-CD1 3.89Å; L30-I34 HydrophobicContact CG-CG1 4.45Å; L30-I34 VanDerWaalsContact O-CB 3.29Å; L30-I34 WeakPolarHBondContact O-CB 3.28Å; L30-I34 WeakPolarHBondContact O-CG1 3.47Å; L30-I34 PolarHBondContact O-N 3.45Å |
| 31 | S | 48.7 | Very low | 51.7 | Low | 49 Ų | 49 | 96.9 Ų | 96.9 | 34% | 0.343 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.7 | -45.6 | 172.8 | 173.7 | 0 | 0 | 0 | 0 | 110.9 | I27 I34 N35 | I27-S31 WeakPolarHBondContact O-CB 3.44Å; I27-S31 PolarHBondContact O-N 3.34Å; S31-I34 PolarHBondContact O-N 3.14Å; S31-N35 WeakPolarHBondContact O-CB 3.28Å; S31-N35 PolarHBondContact O-N 3.01Å; S31-N35 PolarHBondContact O-ND2 2.91Å; S31-N35 VanDerWaalsContact O-ND2 3.1Å |
| 32 | N | 48.3 | Very low | 52.5 | Low | 97 Ų | 97 | 96.4 Ų | 96.4 | 52% | 0.519 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.3 | -39.5 | 174.7 | -75.5 | -35.5 | 0 | 0 | 0 | 111.6 | D28 Q29 N35 E36 | D28-N32 WeakPolarHBondContact O-CB 3.44Å; D28-N32 PolarHBondContact O-N 3.33Å; D28-N32 PolarHBondContact O-ND2 3.4Å; Q29-N32 PolarHBondContact O-N 2.98Å; N32-N35 CarbonylContact O-C 3.35Å; N32-N35 PolarHBondContact O-N 2.89Å; N32-E36 VanDerWaalsContact O-CB 3.31Å; N32-E36 WeakPolarHBondContact O-CB 3.35Å; N32-E36 VanDerWaalsContact O-CG 3.26Å; N32-E36 WeakPolarHBondContact O-CG 3.31Å; N32-E36 PolarHBondContact O-N 3.3Å |
| 33 | H | 46.1 | Very low | 53.9 | Low | 116 Ų | 116 | 95.9 Ų | 95.9 | 54% | 0.537 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -68.3 | -41.4 | 177.3 | -137.2 | -61.4 | 0 | 0 | 0 | 111.7 | Q29 L30 N35 E36 E37 | Q29-H33 VanDerWaalsContact O-CB 3.32Å; Q29-H33 WeakPolarHBondContact O-CB 3.47Å; Q29-H33 PolarHBondContact O-N 3.48Å; L30-H33 PolarHBondContact O-N 2.91Å; H33-N35 VanDerWaalsContact C-N 3.34Å; H33-E36 PolarHBondContact O-N 3.34Å; H33-E37 WeakPolarHBondContact O-CB 3.49Å; H33-E37 WeakPolarHBondContact O-CG 3.48Å; H33-E37 PolarHBondContact O-N 3.35Å |
| 34 | I | 45.8 | Very low | 55.8 | Low | 78 Ų | 78 | 94.2 Ų | 94.2 | 40% | 0.4 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -63.6 | -41.4 | 171.8 | -70.9 | 167.4 | 0 | 0 | 0 | 109.7 | L30 S31 E36 N38 | L30-I34 HydrophobicContact CD1-CD1 4.42Å; L30-I34 HydrophobicContact CD2-CD1 4.44Å; L30-I34 HydrophobicContact CG-CD1 3.89Å; L30-I34 HydrophobicContact CG-CG1 4.45Å; L30-I34 VanDerWaalsContact O-CB 3.29Å; L30-I34 WeakPolarHBondContact O-CB 3.28Å; L30-I34 WeakPolarHBondContact O-CG1 3.47Å; L30-I34 PolarHBondContact O-N 3.45Å; S31-I34 PolarHBondContact O-N 3.14Å; I34-E36 VanDerWaalsContact C-N 3.33Å; I34-N38 VanDerWaalsContact CG2-ND2 3.28Å; I34-N38 WeakPolarHBondContact CG2-ND2 3.43Å; I34-N38 WeakPolarHBondContact O-CA 3.44Å; I34-N38 WeakPolarHBondContact O-CB 3.23Å; I34-N38 PolarHBondContact O-N 3.16Å; I34-N38 PolarHBondContact O-ND2 3.08Å; I34-N38 VanDerWaalsContact O-ND2 3.14Å |
| 35 | N | 42.9 | Very low | 57.4 | Low | 82 Ų | 82 | 91.3 Ų | 91.3 | 44% | 0.439 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -69.5 | -29 | 175.5 | -73.1 | -28.5 | 0 | 0 | 0 | 112.1 | S31 N32 H33 N38 K39 | S31-N35 WeakPolarHBondContact O-CB 3.28Å; S31-N35 PolarHBondContact O-N 3.01Å; S31-N35 PolarHBondContact O-ND2 2.91Å; S31-N35 VanDerWaalsContact O-ND2 3.1Å; N32-N35 CarbonylContact O-C 3.35Å; N32-N35 PolarHBondContact O-N 2.89Å; H33-N35 VanDerWaalsContact C-N 3.34Å; N35-N38 CarbonylContact O-C 3.54Å; N35-K39 WeakPolarHBondContact O-CA 3.44Å; N35-K39 WeakPolarHBondContact O-CB 3.39Å; N35-K39 VanDerWaalsContact O-CG 3.25Å; N35-K39 WeakPolarHBondContact O-CG 3.13Å; N35-K39 PolarHBondContact O-N 3.46Å |
| 36 | E | 43.8 | Very low | 58.8 | Low | 109 Ų | 109 | 93.3 Ų | 93.3 | 51% | 0.509 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -81.6 | -32.1 | 175.4 | -75.9 | -157.9 | 149.1 | 0 | 0 | 113.6 | N32 H33 I34 K39 | N32-E36 VanDerWaalsContact O-CB 3.31Å; N32-E36 WeakPolarHBondContact O-CB 3.35Å; N32-E36 VanDerWaalsContact O-CG 3.26Å; N32-E36 WeakPolarHBondContact O-CG 3.31Å; N32-E36 PolarHBondContact O-N 3.3Å; H33-E36 PolarHBondContact O-N 3.34Å; I34-E36 VanDerWaalsContact C-N 3.33Å; E36-K39 HydrophobicContact CG-CD 4.2Å; E36-K39 WeakPolarHBondContact O-CB 3.33Å; E36-K39 IonicContact OE1-NZ 3.55Å; E36-K39 PolarHBondContact OE1-NZ 3.24Å |
| 37 | E | 42.3 | Very low | 60.1 | Low | 150 Ų | 150 | 91.8 Ų | 91.8 | 70% | 0.701 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -73.1 | -35.8 | 168 | -75 | -170.5 | 161.4 | 0 | 0 | 111.2 | H33 | H33-E37 WeakPolarHBondContact O-CB 3.49Å; H33-E37 WeakPolarHBondContact O-CG 3.48Å; H33-E37 PolarHBondContact O-N 3.35Å |
| 38 | N | 43.1 | Very low | 61.4 | Low | 92 Ų | 92 | 95.5 Ų | 95.5 | 49% | 0.492 | 46% | 0.463 | S | S | . | . | S | Bend | trans | -82.8 | -7 | 172.4 | -70.5 | -33 | 0 | 0 | 0 | 113.6 | I34 N35 M40 | I34-N38 VanDerWaalsContact CG2-ND2 3.28Å; I34-N38 WeakPolarHBondContact CG2-ND2 3.43Å; I34-N38 WeakPolarHBondContact O-CA 3.44Å; I34-N38 WeakPolarHBondContact O-CB 3.23Å; I34-N38 PolarHBondContact O-N 3.16Å; I34-N38 PolarHBondContact O-ND2 3.08Å; I34-N38 VanDerWaalsContact O-ND2 3.14Å; N35-N38 CarbonylContact O-C 3.54Å; N38-M40 VanDerWaalsContact C-N 3.28Å; N38-M40 PolarHBondContact O-N 3.49Å |
| 39 | K | 45.9 | Very low | 63.1 | Low | 93 Ų | 93 | 94.6 Ų | 94.6 | 40% | 0.404 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -61.7 | 99.1 | 170 | -99.5 | 173.1 | -163.1 | 168.6 | 0 | 105.3 | N35 E36 K41 | N35-K39 WeakPolarHBondContact O-CA 3.44Å; N35-K39 WeakPolarHBondContact O-CB 3.39Å; N35-K39 VanDerWaalsContact O-CG 3.25Å; N35-K39 WeakPolarHBondContact O-CG 3.13Å; N35-K39 PolarHBondContact O-N 3.46Å; E36-K39 HydrophobicContact CG-CD 4.2Å; E36-K39 WeakPolarHBondContact O-CB 3.33Å; E36-K39 IonicContact OE1-NZ 3.55Å; E36-K39 PolarHBondContact OE1-NZ 3.24Å; K39-K41 PolarHBondContact O-N 3.46Å |
| 40 | M | 52.1 | Low | 65.2 | Low | 61 Ų | 61 | 88.9 Ų | 88.9 | 30% | 0.3 | 43% | 0.431 | S | S | . | . | trans | -58.5 | 90.1 | 171.6 | -70.2 | -171.3 | -67.6 | 0 | 0 | 107.9 | N38 K42 P425 M429 | N38-M40 VanDerWaalsContact C-N 3.28Å; N38-M40 PolarHBondContact O-N 3.49Å; M40-K42 PolarHBondContact O-N 3.29Å; M40-P425 HydrophobicContact SD-CB 4.38Å; M40-M429 HydrophobicContact CB-CE 4.14Å; M40-M429 HydrophobicContact CB-SD 4.11Å; M40-M429 HydrophobicContact CG-CE 4.29Å; M40-M429 HydrophobicContact CG-SD 3.84Å | ||
| 41 | K | 61.6 | Low | 67.3 | Low | 176 Ų | 176 | 83.8 Ų | 83.8 | 77% | 0.765 | 40% | 0.404 | S | S | * | . | trans | -73.1 | 69.3 | 176.9 | -73.6 | -177.6 | -176.4 | 172 | 0 | 108.8 | K39 | K39-K41 PolarHBondContact O-N 3.46Š| ||
| 42 | K | 72.9 | Confident | 69.6 | Low | 54 Ų | 54 | 82.4 Ų | 82.4 | 24% | 0.235 | 39% | 0.392 | C | S | . | . | trans | -59.5 | 144.8 | 169.9 | -174.6 | 167.6 | 176.1 | 170.4 | 0 | 108.5 | M40 Y44 R107 S320 Y321 | M40-K42 PolarHBondContact O-N 3.29Å; K42-Y44 WeakPolarHBondContact O-CD2 3.37Å; K42-Y44 WeakPolarHBondContact O-CE2 3.4Å; K42-R107 WeakPolarHBondContact CD-O 3.18Å; K42-R107 PolarHBondContact NZ-O 3.3Å; K42-S320 WeakPolarHBondContact CE-O 3.47Å; K42-S320 WeakPolarHBondContact CE-OG 3.48Å; K42-S320 VanDerWaalsContact NZ-CB 3.35Å; K42-S320 PolarHBondContact NZ-OG 3.3Å; K42-Y321 HydrophobicContact CG-CE1 4.43Å | ||
| 43 | E | 84.3 | Confident | 71.8 | Confident | 50 Ų | 50 | 78.2 Ų | 78.2 | 23% | 0.234 | 37% | 0.369 | C | S | . | . | trans | -66.7 | 156.9 | -179.8 | -54.1 | -157.4 | 114.7 | 0 | 0 | 111.1 | R107 I245 K246 Y321 | E43-R107 PolarHBondContact O-NH2 3.49Å; E43-R107 VanDerWaalsContact O-NH2 3.15Å; E43-I245 HydrophobicContact CB-CG2 3.62Å; E43-I245 HydrophobicContact CG-CG2 4.46Å; E43-I245 WeakPolarHBondContact OE2-CG2 3.28Å; E43-I245 PolarHBondContact OE2-N 3.08Å; E43-I245 VanDerWaalsContact OE2-N 3.12Å; E43-K246 WeakPolarHBondContact OE1-CD 3.42Å; E43-K246 VanDerWaalsContact OE1-CE 3.29Å; E43-K246 WeakPolarHBondContact OE1-CE 3.38Å; E43-K246 IonicContact OE1-NZ 3.26Å; E43-K246 PolarHBondContact OE1-NZ 2.86Å; E43-Y321 HydrophobicContact CB-CD1 4.41Å; E43-Y321 HydrophobicContact CB-CE1 4.28Å; E43-Y321 WeakPolarHBondContact O-CD1 3.32Å | ||
| 44 | Y | 90.4 | Very high | 74.2 | Confident | 74 Ų | 74 | 72.7 Ų | 72.7 | 29% | 0.29 | 34% | 0.344 | S | S | . | . | trans | -127.4 | 154.4 | 170.9 | -65.1 | -102.4 | 0 | 0 | 0 | 108.4 | K42 K46 Y321 K323 D601 | K42-Y44 WeakPolarHBondContact O-CD2 3.37Å; K42-Y44 WeakPolarHBondContact O-CE2 3.4Å; Y44-K46 PolarHBondContact O-N 3.35Å; Y44-Y321 VanDerWaalsContact CA-O 3.24Å; Y44-Y321 WeakPolarHBondContact CA-O 3.19Å; Y44-K323 HydrophobicContact CD1-CB 4.39Å; Y44-K323 HydrophobicContact CD1-CG 3.78Å; Y44-K323 HydrophobicContact CE1-CG 4.39Å; Y44-K323 HydrophobicContact CG-CG 4.47Å; Y44-D601 PolarHBondContact OH-OD2 3.13Å; Y44-D601 VanDerWaalsContact OH-OD2 3.11Å | ||
| 45 | W | 92.8 | Very high | 76.6 | Confident | 14 Ų | 14 | 69 Ų | 69 | 5% | 0.053 | 33% | 0.325 | C | S | . | . | trans | -55 | 132.7 | 160 | -61.7 | 121.2 | 0 | 0 | 0 | 109.9 | D50 F51 A54 I245 A249 M252 F318 Y321 N322 | W45-D50 HydrophobicContact CB-CB 4.01Å; W45-D50 HydrophobicContact CD2-CB 4.03Å; W45-D50 HydrophobicContact CE3-CB 3.58Å; W45-D50 HydrophobicContact CG-CB 4.22Å; W45-D50 HydrophobicContact CZ3-CB 4.34Å; W45-F51 HydrophobicContact CG-CB 4.3Å; W45-F51 AromaticContact NE1-CD2 3.83Å; W45-A54 HydrophobicContact CH2-CB 3.61Å; W45-A54 HydrophobicContact CZ2-CB 3.99Å; W45-A54 HydrophobicContact CZ3-CB 4.3Å; W45-I245 HydrophobicContact CD2-CG1 4.48Å; W45-I245 HydrophobicContact CE3-CG1 3.88Å; W45-I245 HydrophobicContact CH2-CD1 3.27Å; W45-I245 HydrophobicContact CH2-CG1 3.37Å; W45-I245 HydrophobicContact CZ2-CD1 4.04Å; W45-I245 HydrophobicContact CZ2-CG1 3.99Å; W45-I245 HydrophobicContact CZ3-CD1 3.63Å; W45-I245 HydrophobicContact CZ3-CG1 3.31Å; W45-A249 HydrophobicContact CE3-CB 4.2Å; W45-A249 HydrophobicContact CZ3-CB 3.96Å; W45-M252 HydrophobicContact CH2-CE 4.07Å; W45-M252 HydrophobicContact CZ3-CE 4.07Å; W45-F318 HydrophobicContact CH2-CD1 4.41Å; W45-F318 HydrophobicContact CZ2-CB 4.28Å; W45-F318 AromaticContact CZ2-CD1 4Å; W45-F318 HydrophobicContact CZ2-CD1 4Å; W45-F318 HydrophobicContact CZ2-CG 4.15Å; W45-F318 PolarHBondContact NE1-O 2.93Å; W45-Y321 HydrophobicContact CZ2-CD2 4.16Å; W45-Y321 PolarHBondContact N-O 3.36Å; W45-Y321 VanDerWaalsContact N-O 3.08Å; W45-Y321 VanDerWaalsContact NE1-CB 3.32Å; W45-N322 PolarHBondContact NE1-OD1 3.04Å | ||
| 46 | K | 88 | Confident | 79.1 | Confident | 164 Ų | 164 | 65.5 Ų | 65.5 | 71% | 0.713 | 31% | 0.306 | S | S | * | . | trans | -91.3 | -47.2 | -176.7 | -77.3 | -168.6 | 172.7 | -169.7 | 0 | 111 | Y44 D50 | Y44-K46 PolarHBondContact O-N 3.35Å; K46-D50 PolarHBondContact N-OD2 2.7Å | ||
| 47 | G | 87.6 | Confident | 81.5 | Confident | 30 Ų | 30 | 60.3 Ų | 60.3 | 31% | 0.309 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -80.3 | 153.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | I49 D50 | G47-I49 PolarHBondContact O-N 2.99Å; G47-D50 VanDerWaalsContact CA-OD1 3.32Å; G47-D50 WeakPolarHBondContact CA-OD1 3.29Å; G47-D50 WeakPolarHBondContact CA-OD2 3.1Å; G47-D50 VanDerWaalsContact N-CG 3.32Å; G47-D50 PolarHBondContact N-OD2 2.95Å; G47-D50 PolarHBondContact O-N 3Å |
| 48 | K | 90.2 | Very high | 83.9 | Confident | 186 Ų | 186 | 53.7 Ų | 53.7 | 81% | 0.809 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -18.1 | -178.2 | -67.2 | -177.6 | 177.7 | -178.9 | 0 | 113.8 | H326 | K48-H326 PolarHBondContact O-CE1 3.37Š|
| 49 | I | 94.8 | Very high | 86.3 | Confident | 69 Ų | 69 | 49.5 Ų | 49.5 | 35% | 0.354 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -122.1 | 7.4 | -178.1 | 67.5 | 178.5 | 0 | 0 | 0 | 112.6 | G47 F51 F52 I53 Y253 | G47-I49 PolarHBondContact O-N 2.99Å; I49-F51 VanDerWaalsContact C-N 3.3Å; I49-F51 PolarHBondContact O-N 3.35Å; I49-F52 PolarHBondContact O-N 3.04Å; I49-F52 VanDerWaalsContact O-N 3.15Å; I49-I53 HydrophobicContact CD1-CG1 4.44Å; I49-I53 HydrophobicContact CG1-CG1 4.27Å; I49-I53 WeakPolarHBondContact O-CG1 3.41Å; I49-I53 PolarHBondContact O-N 3.24Å; I49-Y253 HydrophobicContact CD1-CE1 3.94Å; I49-Y253 HydrophobicContact CG1-CE1 3.95Å; I49-Y253 WeakPolarHBondContact CG1-OH 3.5Å |
| 50 | D | 95.2 | Very high | 88.3 | Confident | 13 Ų | 13 | 45.5 Ų | 45.5 | 7% | 0.07 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.5 | -43.2 | -178.2 | -65.1 | -3.7 | 0 | 0 | 0 | 111.1 | W45 K46 G47 I53 A54 A249 Y253 | W45-D50 HydrophobicContact CB-CB 4.01Å; W45-D50 HydrophobicContact CD2-CB 4.03Å; W45-D50 HydrophobicContact CE3-CB 3.58Å; W45-D50 HydrophobicContact CG-CB 4.22Å; W45-D50 HydrophobicContact CZ3-CB 4.34Å; K46-D50 PolarHBondContact N-OD2 2.7Å; G47-D50 VanDerWaalsContact CA-OD1 3.32Å; G47-D50 WeakPolarHBondContact CA-OD1 3.29Å; G47-D50 WeakPolarHBondContact CA-OD2 3.1Å; G47-D50 VanDerWaalsContact N-CG 3.32Å; G47-D50 PolarHBondContact N-OD2 2.95Å; G47-D50 PolarHBondContact O-N 3Å; D50-I53 PolarHBondContact O-N 3.3Å; D50-A54 WeakPolarHBondContact O-CB 3.36Å; D50-A54 PolarHBondContact O-N 2.89Å; D50-A249 HydrophobicContact CB-CB 4.33Å; D50-Y253 WeakPolarHBondContact OD1-CE2 3.31Å; D50-Y253 PolarHBondContact OD1-OH 3.02Å |
| 51 | F | 95.9 | Very high | 90.1 | Very high | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.009 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58 | -49 | 174.8 | 170.2 | -104.3 | 0 | 0 | 0 | 111.8 | W45 I49 I53 A54 C55 V100 F318 N322 H326 D331 | W45-F51 HydrophobicContact CG-CB 4.3Å; W45-F51 AromaticContact NE1-CD2 3.83Å; I49-F51 VanDerWaalsContact C-N 3.3Å; I49-F51 PolarHBondContact O-N 3.35Å; F51-I53 PolarHBondContact O-N 3.18Å; F51-A54 WeakPolarHBondContact O-CB 3.38Å; F51-A54 PolarHBondContact O-N 3.08Å; F51-C55 WeakPolarHBondContact CE2-SG 3.35Å; F51-C55 WeakPolarHBondContact CZ-SG 3.46Å; F51-C55 PolarHBondContact O-N 3.32Å; F51-C55 PolarHBondContact O-SG 2.86Å; F51-C55 VanDerWaalsContact O-SG 3.32Å; F51-V100 HydrophobicContact CE1-CG1 4.26Å; F51-V100 HydrophobicContact CE2-CG1 3.95Å; F51-V100 HydrophobicContact CE2-CG2 4.25Å; F51-V100 HydrophobicContact CZ-CB 4.28Å; F51-V100 HydrophobicContact CZ-CG1 3.45Å; F51-V100 VanDerWaalsContact CZ-CG1 3.45Å; F51-V100 HydrophobicContact CZ-CG2 3.75Å; F51-F318 HydrophobicContact CD2-CB 4.11Å; F51-F318 HydrophobicContact CE2-CB 3.91Å; F51-N322 VanDerWaalsContact CB-OD1 3.24Å; F51-N322 WeakPolarHBondContact CB-OD1 3.24Å; F51-N322 WeakPolarHBondContact CD2-OD1 3.35Å; F51-N322 VanDerWaalsContact CG-OD1 3.24Å; F51-N322 WeakPolarHBondContact CG-OD1 3.44Å; F51-H326 AromaticContact CD1-NE2 3.94Å; F51-D331 HydrophobicContact CD1-CB 3.87Å; F51-D331 WeakPolarHBondContact CD1-OD2 3.27Å; F51-D331 HydrophobicContact CE1-CB 3.83Å |
| 52 | F | 97 | Very high | 91.6 | Very high | 21 Ų | 21 | 34.4 Ų | 34.4 | 9% | 0.092 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.3 | -47.2 | 179.4 | 173.9 | -108.5 | 0 | 0 | 0 | 111.7 | I49 A54 C55 L56 D331 L334 F335 V338 | I49-F52 PolarHBondContact O-N 3.04Å; I49-F52 VanDerWaalsContact O-N 3.15Å; F52-A54 VanDerWaalsContact C-N 3.32Å; F52-A54 PolarHBondContact O-N 2.87Å; F52-C55 PolarHBondContact O-N 3.1Å; F52-L56 HydrophobicContact CD1-CD1 4.16Å; F52-L56 HydrophobicContact CE1-CD1 3.48Å; F52-L56 VanDerWaalsContact CE1-CD1 3.48Å; F52-L56 HydrophobicContact CE1-CG 4.12Å; F52-L56 HydrophobicContact CE2-CD1 4.34Å; F52-L56 HydrophobicContact CE2-CD2 4.11Å; F52-L56 HydrophobicContact CE2-CG 4.15Å; F52-L56 HydrophobicContact CZ-CD1 3.59Å; F52-L56 HydrophobicContact CZ-CD2 3.95Å; F52-L56 HydrophobicContact CZ-CG 3.89Å; F52-L56 WeakPolarHBondContact O-CG 3.28Å; F52-L56 PolarHBondContact O-N 2.9Å; F52-D331 HydrophobicContact CB-CB 4.27Å; F52-D331 HydrophobicContact CD2-CB 4.28Å; F52-L334 HydrophobicContact CD1-CD2 4.38Å; F52-L334 HydrophobicContact CD2-CB 4.47Å; F52-L334 HydrophobicContact CD2-CD2 4.21Å; F52-L334 HydrophobicContact CD2-CG 4.41Å; F52-L334 HydrophobicContact CE1-CD2 3.86Å; F52-L334 HydrophobicContact CE1-CG 4.38Å; F52-L334 HydrophobicContact CE2-CB 3.85Å; F52-L334 HydrophobicContact CE2-CD2 3.69Å; F52-L334 HydrophobicContact CE2-CG 3.55Å; F52-L334 HydrophobicContact CZ-CB 4.35Å; F52-L334 HydrophobicContact CZ-CD2 3.49Å; F52-L334 VanDerWaalsContact CZ-CD2 3.49Å; F52-L334 HydrophobicContact CZ-CG 3.52Å; F52-F335 HydrophobicContact CE2-CB 4.19Å; F52-V338 HydrophobicContact CZ-CG2 4.19Å |
| 53 | I | 96 | Very high | 92.5 | Very high | 8 Ų | 8 | 32.9 Ų | 32.9 | 4% | 0.041 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.7 | -38.6 | 176.5 | -64.4 | -61.1 | 0 | 0 | 0 | 111.4 | I49 D50 F51 L56 G57 M252 Y253 A256 L257 | I49-I53 HydrophobicContact CD1-CG1 4.44Å; I49-I53 HydrophobicContact CG1-CG1 4.27Å; I49-I53 WeakPolarHBondContact O-CG1 3.41Å; I49-I53 PolarHBondContact O-N 3.24Å; D50-I53 PolarHBondContact O-N 3.3Å; F51-I53 PolarHBondContact O-N 3.18Å; I53-L56 HydrophobicContact CD1-CD1 4.3Å; I53-L56 PolarHBondContact O-N 3.28Å; I53-G57 PolarHBondContact O-N 2.91Å; I53-M252 HydrophobicContact CG2-CB 4.03Å; I53-Y253 HydrophobicContact CG1-CD1 4.1Å; I53-Y253 HydrophobicContact CG1-CE1 3.78Å; I53-Y253 HydrophobicContact CG2-CD1 4.47Å; I53-Y253 HydrophobicContact CG2-CG 4.38Å; I53-A256 HydrophobicContact CG2-CB 4.38Å; I53-L257 HydrophobicContact CD1-CD2 4.27Å |
| 54 | A | 95.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.1 | -43.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | W45 D50 F51 F52 G57 F58 M252 F318 | W45-A54 HydrophobicContact CH2-CB 3.61Å; W45-A54 HydrophobicContact CZ2-CB 3.99Å; W45-A54 HydrophobicContact CZ3-CB 4.3Å; D50-A54 WeakPolarHBondContact O-CB 3.36Å; D50-A54 PolarHBondContact O-N 2.89Å; F51-A54 WeakPolarHBondContact O-CB 3.38Å; F51-A54 PolarHBondContact O-N 3.08Å; F52-A54 VanDerWaalsContact C-N 3.32Å; F52-A54 PolarHBondContact O-N 2.87Å; A54-G57 PolarHBondContact O-N 2.82Å; A54-F58 WeakPolarHBondContact O-CB 3.19Å; A54-F58 PolarHBondContact O-N 3.27Å; A54-M252 HydrophobicContact CB-CE 3.45Å; A54-M252 VanDerWaalsContact CB-CE 3.45Å; A54-M252 HydrophobicContact CB-SD 3.81Å; A54-F318 HydrophobicContact CB-CD2 4.05Å; A54-F318 HydrophobicContact CB-CE2 3.76Å; A54-F318 HydrophobicContact CB-CZ 4.09Å; A54-F318 WeakPolarHBondContact O-CE2 3.49Å |
| 55 | C | 96.4 | Very high | 93 | Very high | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.007 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.5 | -40 | 174.2 | -68.5 | 0 | 0 | 0 | 0 | 112 | F51 F52 S59 F96 F335 | F51-C55 WeakPolarHBondContact CE2-SG 3.35Å; F51-C55 WeakPolarHBondContact CZ-SG 3.46Å; F51-C55 PolarHBondContact O-N 3.32Å; F51-C55 PolarHBondContact O-SG 2.86Å; F51-C55 VanDerWaalsContact O-SG 3.32Å; F52-C55 PolarHBondContact O-N 3.1Å; C55-S59 WeakPolarHBondContact O-CB 3.49Å; C55-S59 PolarHBondContact O-N 2.91Å; C55-S59 VanDerWaalsContact O-N 3.07Å; C55-S59 PolarHBondContact O-OG 2.88Å; C55-F96 HydrophobicContact CB-CZ 3.97Å; C55-F335 HydrophobicContact CB-CD2 4.22Å |
| 56 | L | 95.3 | Very high | 92.8 | Very high | 8 Ų | 8 | 27.9 Ų | 27.9 | 4% | 0.042 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.9 | -52.9 | 173.3 | -68.2 | -177.1 | 0 | 0 | 0 | 111.1 | F52 I53 F58 S59 I60 F335 V338 | F52-L56 HydrophobicContact CD1-CD1 4.16Å; F52-L56 HydrophobicContact CE1-CD1 3.48Å; F52-L56 VanDerWaalsContact CE1-CD1 3.48Å; F52-L56 HydrophobicContact CE1-CG 4.12Å; F52-L56 HydrophobicContact CE2-CD1 4.34Å; F52-L56 HydrophobicContact CE2-CD2 4.11Å; F52-L56 HydrophobicContact CE2-CG 4.15Å; F52-L56 HydrophobicContact CZ-CD1 3.59Å; F52-L56 HydrophobicContact CZ-CD2 3.95Å; F52-L56 HydrophobicContact CZ-CG 3.89Å; F52-L56 WeakPolarHBondContact O-CG 3.28Å; F52-L56 PolarHBondContact O-N 2.9Å; I53-L56 HydrophobicContact CD1-CD1 4.3Å; I53-L56 PolarHBondContact O-N 3.28Å; L56-F58 VanDerWaalsContact C-N 3.31Å; L56-F58 PolarHBondContact O-N 3.06Å; L56-S59 PolarHBondContact O-N 2.94Å; L56-I60 HydrophobicContact CB-CD1 4.29Å; L56-I60 HydrophobicContact CD2-CD1 3.53Å; L56-I60 HydrophobicContact CD2-CG1 4.43Å; L56-I60 HydrophobicContact CG-CD1 4.46Å; L56-I60 WeakPolarHBondContact O-CA 3.4Å; L56-I60 WeakPolarHBondContact O-CB 3.42Å; L56-I60 WeakPolarHBondContact O-CG1 3.36Å; L56-I60 PolarHBondContact O-N 2.95Å; L56-F335 HydrophobicContact CD2-CD2 3.95Å; L56-V338 HydrophobicContact CD1-CG1 4.32Å; L56-V338 HydrophobicContact CD2-CB 3.84Å; L56-V338 HydrophobicContact CD2-CG1 3.57Å |
| 57 | G | 93.3 | Very high | 93.1 | Very high | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.01 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -59.8 | -39.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | I53 A54 D407 | I53-G57 PolarHBondContact O-N 2.91Å; A54-G57 PolarHBondContact O-N 2.82Å; G57-D407 VanDerWaalsContact C-CB 3.48Å; G57-D407 WeakPolarHBondContact O-CB 3.25Å |
| 58 | F | 94.2 | Very high | 93.5 | Very high | 11 Ų | 11 | 21.7 Ų | 21.7 | 5% | 0.048 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -68.6 | -49.2 | -179.4 | 176.9 | -138.4 | 0 | 0 | 0 | 112.9 | A54 L56 S309 L312 V314 L315 F318 S408 A411 | A54-F58 WeakPolarHBondContact O-CB 3.19Å; A54-F58 PolarHBondContact O-N 3.27Å; L56-F58 VanDerWaalsContact C-N 3.31Å; L56-F58 PolarHBondContact O-N 3.06Å; F58-S309 WeakPolarHBondContact CE1-OG 3.22Å; F58-L312 HydrophobicContact CZ-CD1 3.97Å; F58-V314 HydrophobicContact CD1-CB 4.2Å; F58-V314 HydrophobicContact CD1-CG1 3.72Å; F58-V314 HydrophobicContact CD2-CG1 4.32Å; F58-V314 HydrophobicContact CE1-CB 3.4Å; F58-V314 VanDerWaalsContact CE1-CB 3.4Å; F58-V314 HydrophobicContact CE1-CG1 3.42Å; F58-V314 VanDerWaalsContact CE1-CG1 3.42Å; F58-V314 HydrophobicContact CE1-CG2 4.05Å; F58-V314 HydrophobicContact CE2-CB 4.33Å; F58-V314 HydrophobicContact CE2-CG1 4.07Å; F58-V314 HydrophobicContact CE2-CG2 4.2Å; F58-V314 HydrophobicContact CG-CG1 4.15Å; F58-V314 HydrophobicContact CZ-CB 3.47Å; F58-V314 VanDerWaalsContact CZ-CB 3.47Å; F58-V314 HydrophobicContact CZ-CG1 3.61Å; F58-V314 HydrophobicContact CZ-CG2 3.56Å; F58-L315 HydrophobicContact CD1-CD2 4.22Å; F58-L315 HydrophobicContact CE1-CD2 4.41Å; F58-F318 HydrophobicContact CB-CE2 3.94Å; F58-F318 HydrophobicContact CD1-CE2 4.47Å; F58-F318 HydrophobicContact CG-CE2 4.43Å; F58-S408 PolarHBondContact O-OG 3.23Å; F58-S408 VanDerWaalsContact O-OG 3.11Å; F58-A411 HydrophobicContact CB-CB 3.54Å; F58-A411 HydrophobicContact CD1-CB 4.42Å; F58-A411 HydrophobicContact CD2-CB 3.27Å; F58-A411 HydrophobicContact CE2-CB 4.03Å; F58-A411 HydrophobicContact CG-CB 3.49Å; F58-A411 VanDerWaalsContact CG-CB 3.49Å |
| 59 | S | 92.1 | Very high | 93.8 | Very high | 4 Ų | 4 | 12.8 Ų | 12.8 | 3% | 0.028 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -94.4 | -24.9 | -166.5 | -58.7 | 0 | 0 | 0 | 0 | 112.9 | C55 L56 G61 N64 S307 Y308 S309 F335 | C55-S59 WeakPolarHBondContact O-CB 3.49Å; C55-S59 PolarHBondContact O-N 2.91Å; C55-S59 VanDerWaalsContact O-N 3.07Å; C55-S59 PolarHBondContact O-OG 2.88Å; L56-S59 PolarHBondContact O-N 2.94Å; S59-G61 PolarHBondContact O-N 3.33Å; S59-N64 PolarHBondContact O-OD1 2.95Å; S59-N64 VanDerWaalsContact O-OD1 3.11Å; S59-S307 VanDerWaalsContact CB-O 3.3Å; S59-S307 WeakPolarHBondContact CB-O 3.19Å; S59-Y308 PolarHBondContact OG-O 3.14Å; S59-S309 PolarHBondContact OG-OG 2.66Å; S59-F335 VanDerWaalsContact CB-CE2 3.49Å |
| 60 | I | 89.4 | Confident | 93.8 | Very high | 8 Ų | 8 | 12.4 Ų | 12.4 | 4% | 0.041 | 6% | 0.061 | C | C | . | . | S | Bend | trans | -87.8 | 89.8 | 171.6 | -57.5 | -175.5 | 0 | 0 | 0 | 108.1 | L56 Y260 V338 N339 T342 L404 | L56-I60 HydrophobicContact CB-CD1 4.29Å; L56-I60 HydrophobicContact CD2-CD1 3.53Å; L56-I60 HydrophobicContact CD2-CG1 4.43Å; L56-I60 HydrophobicContact CG-CD1 4.46Å; L56-I60 WeakPolarHBondContact O-CA 3.4Å; L56-I60 WeakPolarHBondContact O-CB 3.42Å; L56-I60 WeakPolarHBondContact O-CG1 3.36Å; L56-I60 PolarHBondContact O-N 2.95Å; I60-Y260 WeakPolarHBondContact CD1-OH 3.38Å; I60-V338 HydrophobicContact CD1-CG1 3.94Å; I60-N339 HydrophobicContact CG1-CB 4.42Å; I60-T342 HydrophobicContact CG2-CG2 3.41Å; I60-T342 VanDerWaalsContact CG2-CG2 3.41Å; I60-L404 HydrophobicContact CG2-CD2 4.47Å; I60-L404 WeakPolarHBondContact O-CD2 3.46Å |
| 61 | G | 90.2 | Very high | 93.8 | Very high | 4 Ų | 4 | 12.3 Ų | 12.3 | 4% | 0.041 | 6% | 0.061 | C | C | . | . | S | Bend | trans | -127 | -159.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | S59 G63 N64 V65 | S59-G61 PolarHBondContact O-N 3.33Å; G61-G63 PolarHBondContact O-N 3.04Å; G61-N64 PolarHBondContact N-OD1 2.87Å; G61-N64 VanDerWaalsContact N-OD1 3.09Å; G61-N64 PolarHBondContact O-N 3.3Å; G61-N64 VanDerWaalsContact O-N 3.09Å; G61-N64 PolarHBondContact O-OD1 3.01Å; G61-V65 PolarHBondContact O-N 3.26Å |
| 62 | L | 92 | Very high | 93.9 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -62 | -28.9 | 179.3 | -60 | 175.6 | 0 | 0 | 0 | 112 | N64 V65 W66 Y138 I141 I401 L404 | L62-N64 VanDerWaalsContact C-N 3.27Å; L62-N64 PolarHBondContact O-N 3.46Å; L62-V65 PolarHBondContact O-N 3.39Å; L62-W66 HydrophobicContact CB-CD2 4.05Å; L62-W66 VanDerWaalsContact CB-CE2 3.49Å; L62-W66 HydrophobicContact CB-CH2 4.33Å; L62-W66 HydrophobicContact CB-CZ2 3.65Å; L62-W66 HydrophobicContact CD1-CH2 3.78Å; L62-W66 HydrophobicContact CD1-CZ2 3.75Å; L62-W66 HydrophobicContact CD1-CZ3 4.38Å; L62-W66 HydrophobicContact CG-CZ2 4.27Å; L62-W66 VanDerWaalsContact O-CG 3.28Å; L62-W66 PolarHBondContact O-N 3.36Å; L62-W66 PolarHBondContact O-NE1 3.22Å; L62-Y138 HydrophobicContact CB-CE2 4.49Å; L62-Y138 HydrophobicContact CD1-CE2 4.28Å; L62-Y138 WeakPolarHBondContact CG-OH 3.08Å; L62-Y138 PolarHBondContact N-OH 3.2Å; L62-I141 HydrophobicContact CD1-CB 4.32Å; L62-I141 HydrophobicContact CD1-CD1 4.46Å; L62-I141 HydrophobicContact CD1-CG2 3.39Å; L62-I401 HydrophobicContact CD1-CG2 4.41Å; L62-I401 HydrophobicContact CD2-CB 4.19Å; L62-I401 HydrophobicContact CD2-CG1 4.13Å; L62-I401 HydrophobicContact CD2-CG2 3.84Å; L62-L404 HydrophobicContact CD2-CB 4.21Å; L62-L404 HydrophobicContact CD2-CD1 4.42Å |
| 63 | G | 91 | Very high | 93.9 | Very high | 23 Ų | 23 | 13.3 Ų | 13.3 | 24% | 0.237 | 6% | 0.064 | C | C | . | . | I | π-helix | trans | -55.5 | -37.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | G61 R67 F68 Q303 | G61-G63 PolarHBondContact O-N 3.04Å; G63-R67 WeakPolarHBondContact O-CB 3.49Å; G63-R67 PolarHBondContact O-N 2.7Å; G63-F68 PolarHBondContact O-N 3.45Å; G63-Q303 PolarHBondContact O-NE2 3.45Å |
| 64 | N | 94.3 | Very high | 93.8 | Very high | 1 Ų | 1 | 17.3 Ų | 17.3 | 1% | 0.005 | 8% | 0.081 | C | C | . | . | I | π-helix | trans | -72.2 | -34.9 | 175.1 | -57.1 | 73.8 | 0 | 0 | 0 | 111.5 | S59 G61 L62 P69 S307 N339 S343 S346 | S59-N64 PolarHBondContact O-OD1 2.95Å; S59-N64 VanDerWaalsContact O-OD1 3.11Å; G61-N64 PolarHBondContact N-OD1 2.87Å; G61-N64 VanDerWaalsContact N-OD1 3.09Å; G61-N64 PolarHBondContact O-N 3.3Å; G61-N64 VanDerWaalsContact O-N 3.09Å; G61-N64 PolarHBondContact O-OD1 3.01Å; L62-N64 VanDerWaalsContact C-N 3.27Å; L62-N64 PolarHBondContact O-N 3.46Å; N64-P69 WeakPolarHBondContact O-CD 3.4Å; N64-S307 PolarHBondContact ND2-OG 3.35Å; N64-N339 PolarHBondContact ND2-OD1 3.17Å; N64-S343 PolarHBondContact ND2-OG 2.93Å; N64-S346 WeakPolarHBondContact O-CB 3.38Å |
| 65 | V | 91.9 | Very high | 93.9 | Very high | 10 Ų | 10 | 17.4 Ų | 17.4 | 6% | 0.061 | 8% | 0.082 | C | C | . | . | I | π-helix | trans | -78.8 | -45.5 | -174.2 | 179.3 | 0 | 0 | 0 | 0 | 112.9 | G61 L62 P69 I350 M400 L404 | G61-V65 PolarHBondContact O-N 3.26Å; L62-V65 PolarHBondContact O-N 3.39Å; V65-P69 WeakPolarHBondContact O-CG 3.32Å; V65-I350 HydrophobicContact CG1-CD1 4.19Å; V65-I350 WeakPolarHBondContact O-CD1 3.26Å; V65-I350 WeakPolarHBondContact O-CG1 3.17Å; V65-M400 HydrophobicContact CG1-CE 4.44Å; V65-L404 HydrophobicContact CG2-CD1 3.5Å |
| 66 | W | 89.5 | Confident | 93.8 | Very high | 22 Ų | 22 | 17.8 Ų | 17.8 | 8% | 0.083 | 9% | 0.086 | C | C | . | . | I | π-helix | trans | -119.2 | -13.7 | -169.7 | 61 | 23.8 | 0 | 0 | 0 | 115.6 | L62 I141 L375 F377 | L62-W66 HydrophobicContact CB-CD2 4.05Å; L62-W66 VanDerWaalsContact CB-CE2 3.49Å; L62-W66 HydrophobicContact CB-CH2 4.33Å; L62-W66 HydrophobicContact CB-CZ2 3.65Å; L62-W66 HydrophobicContact CD1-CH2 3.78Å; L62-W66 HydrophobicContact CD1-CZ2 3.75Å; L62-W66 HydrophobicContact CD1-CZ3 4.38Å; L62-W66 HydrophobicContact CG-CZ2 4.27Å; L62-W66 VanDerWaalsContact O-CG 3.28Å; L62-W66 PolarHBondContact O-N 3.36Å; L62-W66 PolarHBondContact O-NE1 3.22Å; W66-I141 HydrophobicContact CH2-CD1 4.09Å; W66-I141 HydrophobicContact CH2-CG2 3.36Å; W66-I141 HydrophobicContact CZ2-CD1 3.86Å; W66-I141 HydrophobicContact CZ2-CG2 4.09Å; W66-I141 HydrophobicContact CZ3-CG2 4.22Å; W66-L375 HydrophobicContact CB-CD2 3.81Å; W66-L375 HydrophobicContact CB-CG 4.47Å; W66-F377 HydrophobicContact CH2-CE2 4.19Å; W66-F377 AromaticContact CZ3-CE2 3.97Å; W66-F377 HydrophobicContact CZ3-CE2 3.97Å |
| 67 | R | 93.3 | Very high | 93.9 | Very high | 63 Ų | 63 | 17.4 Ų | 17.4 | 24% | 0.238 | 8% | 0.084 | C | C | . | . | I | π-helix | trans | -103.7 | -52.8 | -174.2 | -178.2 | -179.3 | 175.8 | 175.6 | -3.3 | 109.3 | G63 Y70 L71 Q303 | G63-R67 WeakPolarHBondContact O-CB 3.49Å; G63-R67 PolarHBondContact O-N 2.7Å; R67-Y70 PolarHBondContact O-N 3.18Å; R67-L71 HydrophobicContact CG-CD1 3.95Å; R67-L71 HydrophobicContact CG-CG 4.22Å; R67-L71 WeakPolarHBondContact O-CG 3.47Å; R67-L71 PolarHBondContact O-N 3.06Å; R67-Q303 VanDerWaalsContact CD-OE1 3.31Å |
| 68 | F | 96.5 | Very high | 94 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -53.7 | -48.4 | 176.7 | 171.1 | -91.6 | 0 | 0 | 0 | 113.2 | G63 Y70 L71 C72 F80 L81 Y84 Y283 Q303 S343 L344 | G63-F68 PolarHBondContact O-N 3.45Å; F68-Y70 VanDerWaalsContact C-N 3.33Å; F68-Y70 PolarHBondContact O-N 3.42Å; F68-L71 PolarHBondContact O-N 2.99Å; F68-C72 WeakPolarHBondContact O-CB 3.45Å; F68-C72 PolarHBondContact O-N 3.01Å; F68-F80 HydrophobicContact CD2-CE1 4.24Å; F68-F80 HydrophobicContact CE2-CE1 4.03Å; F68-L81 HydrophobicContact CE2-CD2 4.45Å; F68-L81 HydrophobicContact CZ-CD2 3.85Å; F68-Y84 AromaticContact CD2-CD2 3.98Å; F68-Y84 HydrophobicContact CD2-CD2 3.98Å; F68-Y84 AromaticContact CD2-CE2 3.59Å; F68-Y84 HydrophobicContact CD2-CE2 3.59Å; F68-Y84 HydrophobicContact CE2-CD1 4.28Å; F68-Y84 AromaticContact CE2-CD2 3.6Å; F68-Y84 HydrophobicContact CE2-CD2 3.6Å; F68-Y84 HydrophobicContact CE2-CE1 4.19Å; F68-Y84 AromaticContact CE2-CE2 3.44Å; F68-Y84 HydrophobicContact CE2-CE2 3.44Å; F68-Y84 VanDerWaalsContact CE2-CE2 3.44Å; F68-Y84 HydrophobicContact CE2-CG 4.02Å; F68-Y84 AromaticContact CE2-CZ 3.78Å; F68-Y283 WeakPolarHBondContact CE1-OH 3.41Å; F68-Q303 HydrophobicContact CB-CG 4.46Å; F68-Q303 HydrophobicContact CD2-CG 4.22Å; F68-S343 WeakPolarHBondContact CD1-O 3.33Å; F68-S343 VanDerWaalsContact CE1-C 3.41Å; F68-S343 VanDerWaalsContact CE1-O 3.25Å; F68-S343 WeakPolarHBondContact CE1-O 3.31Å; F68-L344 HydrophobicContact CE1-CD2 4.18Å; F68-L344 HydrophobicContact CZ-CD2 3.99Å |
| 69 | P | 95.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -62.3 | -41.8 | -178.4 | -29.1 | 41.5 | 0 | 0 | 0 | 112.6 | N64 V65 C72 Y73 G347 I350 F351 | N64-P69 WeakPolarHBondContact O-CD 3.4Å; V65-P69 WeakPolarHBondContact O-CG 3.32Å; P69-C72 PolarHBondContact O-N 2.97Å; P69-Y73 PolarHBondContact O-N 2.74Å; P69-G347 VanDerWaalsContact CG-CA 3.44Å; P69-I350 HydrophobicContact CB-CB 4.13Å; P69-I350 HydrophobicContact CB-CG1 4.15Å; P69-I350 HydrophobicContact CB-CG2 4.28Å; P69-I350 HydrophobicContact CG-CB 4.43Å; P69-I350 HydrophobicContact CG-CG1 3.97Å; P69-F351 HydrophobicContact CB-CD2 4.09Å; P69-F351 HydrophobicContact CB-CE2 3.72Å; P69-F351 VanDerWaalsContact O-CE2 3.32Å; P69-F351 WeakPolarHBondContact O-CE2 3.43Å |
| 70 | Y | 95 | Very high | 94.5 | Very high | 60 Ų | 60 | 17.4 Ų | 17.4 | 24% | 0.235 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -63.7 | -45.6 | 176 | 174.5 | -98.1 | 0 | 0 | 0 | 111.8 | R67 F68 C72 Y73 K74 A369 S371 | R67-Y70 PolarHBondContact O-N 3.18Å; F68-Y70 VanDerWaalsContact C-N 3.33Å; F68-Y70 PolarHBondContact O-N 3.42Å; Y70-C72 VanDerWaalsContact C-N 3.32Å; Y70-C72 PolarHBondContact O-N 2.85Å; Y70-Y73 PolarHBondContact O-N 2.76Å; Y70-K74 HydrophobicContact CE1-CB 4.32Å; Y70-K74 HydrophobicContact CE1-CD 3.86Å; Y70-K74 VanDerWaalsContact O-CB 3.31Å; Y70-K74 WeakPolarHBondContact O-CB 3.44Å; Y70-K74 PolarHBondContact O-N 2.76Å; Y70-A369 VanDerWaalsContact CE2-O 3.25Å; Y70-A369 WeakPolarHBondContact CE2-O 3.18Å; Y70-S371 VanDerWaalsContact CD1-CB 3.47Å; Y70-S371 VanDerWaalsContact CG-CB 3.49Å |
| 71 | L | 96.1 | Very high | 94.9 | Very high | 11 Ų | 11 | 18.2 Ų | 18.2 | 6% | 0.058 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -61.1 | -42.1 | 177.1 | -70.3 | -178.7 | 0 | 0 | 0 | 111.5 | R67 F68 Y73 N75 F80 D299 Q303 | R67-L71 HydrophobicContact CG-CD1 3.95Å; R67-L71 HydrophobicContact CG-CG 4.22Å; R67-L71 WeakPolarHBondContact O-CG 3.47Å; R67-L71 PolarHBondContact O-N 3.06Å; F68-L71 PolarHBondContact O-N 2.99Å; L71-Y73 PolarHBondContact O-N 2.83Å; L71-N75 WeakPolarHBondContact O-CB 3.36Å; L71-N75 PolarHBondContact O-N 3.42Å; L71-N75 PolarHBondContact O-ND2 3.24Å; L71-N75 VanDerWaalsContact O-ND2 3.11Å; L71-F80 HydrophobicContact CB-CE1 4.3Å; L71-F80 HydrophobicContact CB-CE2 4.27Å; L71-F80 HydrophobicContact CB-CZ 3.84Å; L71-D299 HydrophobicContact CD2-CB 4.09Å; L71-Q303 HydrophobicContact CD1-CB 3.95Å; L71-Q303 HydrophobicContact CD1-CG 4.22Å |
| 72 | C | 97.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -57 | -51.8 | 174.6 | -172.7 | 0 | 0 | 0 | 0 | 110.9 | F68 P69 Y70 N75 G76 G77 F80 Y283 | F68-C72 WeakPolarHBondContact O-CB 3.45Å; F68-C72 PolarHBondContact O-N 3.01Å; P69-C72 PolarHBondContact O-N 2.97Å; Y70-C72 VanDerWaalsContact C-N 3.32Å; Y70-C72 PolarHBondContact O-N 2.85Å; C72-N75 PolarHBondContact O-N 2.88Å; C72-G76 PolarHBondContact O-N 3.46Å; C72-G77 WeakPolarHBondContact O-CA 3.35Å; C72-G77 PolarHBondContact O-N 2.78Å; C72-G77 PolarHBondContact SG-O 3.28Å; C72-G77 VanDerWaalsContact SG-O 3.33Å; C72-F80 VanDerWaalsContact CA-CD1 3.49Å; C72-F80 HydrophobicContact CB-CD1 3.9Å; C72-F80 HydrophobicContact CB-CE1 4.46Å; C72-Y283 HydrophobicContact CB-CD2 4.15Å; C72-Y283 HydrophobicContact CB-CE2 3.65Å; C72-Y283 WeakPolarHBondContact SG-CE2 3.49Å |
| 73 | Y | 95.7 | Very high | 95.6 | Very high | 44 Ų | 44 | 21.3 Ų | 21.3 | 17% | 0.173 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -63.2 | -51.7 | 179.7 | 172.8 | -110.4 | 0 | 0 | 0 | 113.6 | P69 Y70 L71 N75 G76 Q282 F351 L365 N366 A369 | P69-Y73 PolarHBondContact O-N 2.74Å; Y70-Y73 PolarHBondContact O-N 2.76Å; L71-Y73 PolarHBondContact O-N 2.83Å; Y73-N75 PolarHBondContact O-N 3.23Å; Y73-G76 PolarHBondContact O-N 3.05Å; Y73-Q282 HydrophobicContact CD2-CB 4.49Å; Y73-Q282 HydrophobicContact CE2-CB 4.15Å; Y73-F351 HydrophobicContact CD1-CE1 4.16Å; Y73-F351 HydrophobicContact CD1-CZ 4.07Å; Y73-F351 AromaticContact CD2-CE1 3.68Å; Y73-F351 HydrophobicContact CD2-CE1 3.68Å; Y73-F351 HydrophobicContact CD2-CZ 4.11Å; Y73-F351 HydrophobicContact CE2-CE1 4.35Å; Y73-F351 AromaticContact CG-CE1 3.58Å; Y73-F351 HydrophobicContact CG-CE1 3.58Å; Y73-F351 AromaticContact CG-CZ 3.54Å; Y73-F351 HydrophobicContact CG-CZ 3.54Å; Y73-L365 HydrophobicContact CD2-CD2 4.36Å; Y73-L365 HydrophobicContact CE2-CD2 3.74Å; Y73-L365 HydrophobicContact CE2-CG 4.27Å; Y73-N366 WeakPolarHBondContact OH-CA 3.35Å; Y73-N366 WeakPolarHBondContact OH-CB 3.03Å; Y73-N366 PolarHBondContact OH-N 3.28Å; Y73-A369 HydrophobicContact CD1-CB 3.86Å; Y73-A369 HydrophobicContact CE1-CB 3.66Å |
| 74 | K | 95.2 | Very high | 95.9 | Very high | 92 Ų | 92 | 20.3 Ų | 20.3 | 40% | 0.4 | 10% | 0.096 | S | C | . | . | H | α-helix | trans | -55.5 | -37.9 | 178.9 | 179.2 | -169.4 | 170.4 | -161.7 | 0 | 111.6 | Y70 G76 D299 | Y70-K74 HydrophobicContact CE1-CB 4.32Å; Y70-K74 HydrophobicContact CE1-CD 3.86Å; Y70-K74 VanDerWaalsContact O-CB 3.31Å; Y70-K74 WeakPolarHBondContact O-CB 3.44Å; Y70-K74 PolarHBondContact O-N 2.76Å; K74-G76 PolarHBondContact O-N 3.11Å; K74-D299 IonicContact NZ-OD2 3.09Å |
| 75 | N | 96.8 | Very high | 96.1 | Very high | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.011 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98 | 24.8 | -172.6 | -66 | -42 | 0 | 0 | 0 | 114.1 | L71 C72 Y73 F80 V296 D299 | L71-N75 WeakPolarHBondContact O-CB 3.36Å; L71-N75 PolarHBondContact O-N 3.42Å; L71-N75 PolarHBondContact O-ND2 3.24Å; L71-N75 VanDerWaalsContact O-ND2 3.11Å; C72-N75 PolarHBondContact O-N 2.88Å; Y73-N75 PolarHBondContact O-N 3.23Å; N75-F80 HydrophobicContact CB-CB 4.07Å; N75-F80 HydrophobicContact CB-CD2 3.44Å; N75-F80 VanDerWaalsContact CB-CD2 3.44Å; N75-F80 HydrophobicContact CB-CE2 4.19Å; N75-F80 HydrophobicContact CB-CG 4.07Å; N75-V296 HydrophobicContact CB-CB 4.3Å; N75-V296 HydrophobicContact CB-CG1 4.07Å; N75-V296 HydrophobicContact CB-CG2 3.81Å; N75-D299 WeakPolarHBondContact ND2-CB 3.44Å; N75-D299 PolarHBondContact ND2-OD2 3.26Å |
| 76 | G | 95.7 | Very high | 96.4 | Very high | 9 Ų | 9 | 26.3 Ų | 26.3 | 9% | 0.093 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 97.3 | 26.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 115 | C72 Y73 K74 G78 A79 P286 N287 | C72-G76 PolarHBondContact O-N 3.46Å; Y73-G76 PolarHBondContact O-N 3.05Å; K74-G76 PolarHBondContact O-N 3.11Å; G76-G78 PolarHBondContact O-N 3.48Å; G76-A79 WeakPolarHBondContact O-CB 3.12Å; G76-A79 PolarHBondContact O-N 2.92Å; G76-P286 WeakPolarHBondContact O-CA 3.47Å; G76-N287 PolarHBondContact O-N 3.1Å |
| 77 | G | 95.7 | Very high | 96.8 | Very high | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.01 | 12% | 0.12 | C | C | . | . | G | 310 helix | trans | 58.3 | -125.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | C72 A79 F80 Y283 | C72-G77 WeakPolarHBondContact O-CA 3.35Å; C72-G77 PolarHBondContact O-N 2.78Å; C72-G77 PolarHBondContact SG-O 3.28Å; C72-G77 VanDerWaalsContact SG-O 3.33Å; G77-A79 PolarHBondContact O-N 3.31Å; G77-F80 WeakPolarHBondContact O-CB 3.35Å; G77-F80 PolarHBondContact O-N 3.15Å; G77-Y283 CarbonylContact C-O 3.56Å; G77-Y283 WeakPolarHBondContact CA-O 3.21Å |
| 78 | G | 96.6 | Very high | 97.1 | Very high | 15 Ų | 15 | 22.6 Ų | 22.6 | 16% | 0.155 | 11% | 0.11 | C | C | . | . | G | 310 helix | trans | -55.7 | -22.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | G76 F80 L81 L284 | G76-G78 PolarHBondContact O-N 3.48Å; G78-F80 VanDerWaalsContact C-N 3.34Å; G78-L81 WeakPolarHBondContact O-CB 3.49Å; G78-L81 PolarHBondContact O-N 3.12Å; G78-L284 VanDerWaalsContact CA-O 3.25Å; G78-L284 WeakPolarHBondContact CA-O 3.42Å; G78-L284 PolarHBondContact N-O 3.29Å; G78-L284 VanDerWaalsContact N-O 3.15Å |
| 79 | A | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | G | 310 helix | trans | -65.7 | -35.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | G76 G77 L81 I82 P83 P286 N287 W288 L291 | G76-A79 WeakPolarHBondContact O-CB 3.12Å; G76-A79 PolarHBondContact O-N 2.92Å; G77-A79 PolarHBondContact O-N 3.31Å; A79-L81 PolarHBondContact O-N 2.96Å; A79-I82 PolarHBondContact O-N 3.17Å; A79-P83 VanDerWaalsContact O-CD 3.31Å; A79-P83 WeakPolarHBondContact O-CD 3.41Å; A79-P286 HydrophobicContact CB-CB 4.24Å; A79-N287 WeakPolarHBondContact CB-O 3.34Å; A79-W288 HydrophobicContact CB-CE3 4.19Å; A79-W288 HydrophobicContact CB-CZ3 4.44Å; A79-L291 HydrophobicContact CB-CD2 4.39Å; A79-L291 HydrophobicContact CB-CG 4.31Å; A79-L291 WeakPolarHBondContact O-CD2 3.37Å |
| 80 | F | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | G | 310 helix | trans | -61.2 | -25.8 | 177 | 175.6 | -100 | 0 | 0 | 0 | 112.9 | F68 L71 C72 N75 G77 G78 I82 P83 Y84 V296 D299 A300 | F68-F80 HydrophobicContact CD2-CE1 4.24Å; F68-F80 HydrophobicContact CE2-CE1 4.03Å; L71-F80 HydrophobicContact CB-CE1 4.3Å; L71-F80 HydrophobicContact CB-CE2 4.27Å; L71-F80 HydrophobicContact CB-CZ 3.84Å; C72-F80 VanDerWaalsContact CA-CD1 3.49Å; C72-F80 HydrophobicContact CB-CD1 3.9Å; C72-F80 HydrophobicContact CB-CE1 4.46Å; N75-F80 HydrophobicContact CB-CB 4.07Å; N75-F80 HydrophobicContact CB-CD2 3.44Å; N75-F80 VanDerWaalsContact CB-CD2 3.44Å; N75-F80 HydrophobicContact CB-CE2 4.19Å; N75-F80 HydrophobicContact CB-CG 4.07Å; G77-F80 WeakPolarHBondContact O-CB 3.35Å; G77-F80 PolarHBondContact O-N 3.15Å; G78-F80 VanDerWaalsContact C-N 3.34Å; F80-I82 PolarHBondContact O-N 3.4Å; F80-P83 WeakPolarHBondContact O-CD 3.47Å; F80-P83 VanDerWaalsContact O-CG 3.29Å; F80-P83 WeakPolarHBondContact O-CG 3.46Å; F80-Y84 HydrophobicContact CE1-CD2 4.15Å; F80-Y84 HydrophobicContact CE1-CG 4.48Å; F80-Y84 WeakPolarHBondContact O-CB 3.45Å; F80-Y84 PolarHBondContact O-N 3.26Å; F80-Y84 VanDerWaalsContact O-N 3.15Å; F80-V296 HydrophobicContact CD2-CG1 4.22Å; F80-D299 HydrophobicContact CE2-CB 4.15Å; F80-A300 HydrophobicContact CD2-CB 4.22Å; F80-A300 HydrophobicContact CE2-CB 3.59Å; F80-A300 HydrophobicContact CZ-CB 3.9Å |
| 81 | L | 97.8 | Very high | 97.4 | Very high | 26 Ų | 26 | 28.4 Ų | 28.4 | 14% | 0.136 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.2 | -28.1 | -179.9 | -59.4 | -178.5 | 0 | 0 | 0 | 112.2 | F68 G78 A79 Y84 F85 L284 L344 | F68-L81 HydrophobicContact CE2-CD2 4.45Å; F68-L81 HydrophobicContact CZ-CD2 3.85Å; G78-L81 WeakPolarHBondContact O-CB 3.49Å; G78-L81 PolarHBondContact O-N 3.12Å; A79-L81 PolarHBondContact O-N 2.96Å; L81-Y84 PolarHBondContact O-N 2.95Å; L81-F85 HydrophobicContact CB-CD2 4.08Å; L81-F85 HydrophobicContact CB-CE2 3.73Å; L81-F85 WeakPolarHBondContact O-CB 3.41Å; L81-F85 WeakPolarHBondContact O-CD2 3.21Å; L81-F85 VanDerWaalsContact O-CG 3.32Å; L81-F85 WeakPolarHBondContact O-CG 3.19Å; L81-F85 PolarHBondContact O-N 2.75Å; L81-L284 HydrophobicContact CD1-CD2 4.46Å; L81-L344 HydrophobicContact CD1-CD2 4.12Å; L81-L344 HydrophobicContact CD2-CD2 3.77Å |
| 82 | I | 98.3 | Very high | 97.5 | Very high | 69 Ų | 69 | 27.9 Ų | 27.9 | 35% | 0.354 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -61.7 | -61.7 | 176.9 | -66.4 | 174.7 | 0 | 0 | 0 | 111.6 | A79 F80 Y84 F85 I86 W288 L291 | A79-I82 PolarHBondContact O-N 3.17Å; F80-I82 PolarHBondContact O-N 3.4Å; I82-Y84 PolarHBondContact O-N 3.29Å; I82-F85 PolarHBondContact O-N 3.4Å; I82-I86 HydrophobicContact CG2-CD1 3.82Å; I82-I86 WeakPolarHBondContact O-CG1 3.44Å; I82-I86 PolarHBondContact O-N 3.49Å; I82-W288 HydrophobicContact CD1-CZ3 3.74Å; I82-L291 HydrophobicContact CD1-CD1 4.16Å |
| 83 | P | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.2 | -29 | 178.2 | 23.7 | -33 | 0 | 0 | 0 | 112.3 | A79 F80 S87 L291 V296 W297 A300 | A79-P83 VanDerWaalsContact O-CD 3.31Å; A79-P83 WeakPolarHBondContact O-CD 3.41Å; F80-P83 WeakPolarHBondContact O-CD 3.47Å; F80-P83 VanDerWaalsContact O-CG 3.29Å; F80-P83 WeakPolarHBondContact O-CG 3.46Å; P83-S87 VanDerWaalsContact O-CB 3.31Å; P83-S87 WeakPolarHBondContact O-CB 3.23Å; P83-S87 PolarHBondContact O-N 3.3Å; P83-S87 PolarHBondContact O-OG 3.43Å; P83-L291 HydrophobicContact CG-CD2 4.42Å; P83-V296 HydrophobicContact CG-CG1 3.88Å; P83-W297 HydrophobicContact CB-CD2 3.74Å; P83-W297 HydrophobicContact CB-CE3 3.48Å; P83-W297 VanDerWaalsContact CB-CE3 3.48Å; P83-W297 HydrophobicContact CB-CG 4.36Å; P83-W297 HydrophobicContact CB-CH2 4.2Å; P83-W297 HydrophobicContact CB-CZ2 4.42Å; P83-W297 HydrophobicContact CB-CZ3 3.73Å; P83-A300 HydrophobicContact CB-CB 3.77Å; P83-A300 HydrophobicContact CG-CB 4.03Å |
| 84 | Y | 98.3 | Very high | 97.6 | Very high | 1 Ų | 1 | 27.7 Ų | 27.7 | 0% | 0.004 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.8 | -53.1 | 172.9 | 178 | -88.1 | 0 | 0 | 0 | 111.9 | F68 F80 L81 I82 I86 S87 V88 Q303 I304 T340 | F68-Y84 AromaticContact CD2-CD2 3.98Å; F68-Y84 HydrophobicContact CD2-CD2 3.98Å; F68-Y84 AromaticContact CD2-CE2 3.59Å; F68-Y84 HydrophobicContact CD2-CE2 3.59Å; F68-Y84 HydrophobicContact CE2-CD1 4.28Å; F68-Y84 AromaticContact CE2-CD2 3.6Å; F68-Y84 HydrophobicContact CE2-CD2 3.6Å; F68-Y84 HydrophobicContact CE2-CE1 4.19Å; F68-Y84 AromaticContact CE2-CE2 3.44Å; F68-Y84 HydrophobicContact CE2-CE2 3.44Å; F68-Y84 VanDerWaalsContact CE2-CE2 3.44Å; F68-Y84 HydrophobicContact CE2-CG 4.02Å; F68-Y84 AromaticContact CE2-CZ 3.78Å; F80-Y84 HydrophobicContact CE1-CD2 4.15Å; F80-Y84 HydrophobicContact CE1-CG 4.48Å; F80-Y84 WeakPolarHBondContact O-CB 3.45Å; F80-Y84 PolarHBondContact O-N 3.26Å; F80-Y84 VanDerWaalsContact O-N 3.15Å; L81-Y84 PolarHBondContact O-N 2.95Å; I82-Y84 PolarHBondContact O-N 3.29Å; Y84-I86 VanDerWaalsContact C-N 3.35Å; Y84-I86 PolarHBondContact O-N 3.44Å; Y84-S87 WeakPolarHBondContact O-CB 3.39Å; Y84-S87 PolarHBondContact O-N 2.92Å; Y84-S87 VanDerWaalsContact O-N 3.14Å; Y84-V88 HydrophobicContact CD1-CG2 4.36Å; Y84-V88 HydrophobicContact CE1-CG2 3.96Å; Y84-V88 PolarHBondContact O-N 3.21Å; Y84-Q303 HydrophobicContact CD2-CG 4.49Å; Y84-Q303 HydrophobicContact CE2-CG 4.15Å; Y84-I304 HydrophobicContact CD1-CD1 4.5Å; Y84-I304 HydrophobicContact CD2-CD1 3.66Å; Y84-I304 HydrophobicContact CD2-CG1 4.42Å; Y84-I304 HydrophobicContact CE1-CD1 4.14Å; Y84-I304 HydrophobicContact CE2-CD1 3.26Å; Y84-I304 HydrophobicContact CE2-CG1 4.39Å; Y84-I304 HydrophobicContact CG-CD1 4.27Å; Y84-T340 HydrophobicContact CE1-CG2 3.89Å |
| 85 | F | 98.3 | Very high | 97.8 | Very high | 80 Ų | 80 | 23.3 Ų | 23.3 | 35% | 0.351 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -63.8 | -39.8 | 178.5 | -70.6 | -56.6 | 0 | 0 | 0 | 111.9 | L81 I82 S87 V88 F89 T340 | L81-F85 HydrophobicContact CB-CD2 4.08Å; L81-F85 HydrophobicContact CB-CE2 3.73Å; L81-F85 WeakPolarHBondContact O-CB 3.41Å; L81-F85 WeakPolarHBondContact O-CD2 3.21Å; L81-F85 VanDerWaalsContact O-CG 3.32Å; L81-F85 WeakPolarHBondContact O-CG 3.19Å; L81-F85 PolarHBondContact O-N 2.75Å; I82-F85 PolarHBondContact O-N 3.4Å; F85-S87 VanDerWaalsContact C-N 3.29Å; F85-S87 PolarHBondContact O-N 2.72Å; F85-V88 WeakPolarHBondContact O-CB 3.35Å; F85-V88 PolarHBondContact O-N 3.5Å; F85-F89 WeakPolarHBondContact O-CD2 3.45Å; F85-F89 PolarHBondContact O-N 2.9Å; F85-T340 HydrophobicContact CD1-CG2 4.23Å; F85-T340 HydrophobicContact CE1-CG2 3.53Å; F85-T340 HydrophobicContact CZ-CG2 4.43Å |
| 86 | I | 98.5 | Very high | 97.9 | Very high | 58 Ų | 58 | 23.3 Ų | 23.3 | 30% | 0.297 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -57.5 | -46.6 | 173.3 | -69.7 | 170.2 | 0 | 0 | 0 | 109.8 | I82 Y84 V88 F89 L90 W297 F520 | I82-I86 HydrophobicContact CG2-CD1 3.82Å; I82-I86 WeakPolarHBondContact O-CG1 3.44Å; I82-I86 PolarHBondContact O-N 3.49Å; Y84-I86 VanDerWaalsContact C-N 3.35Å; Y84-I86 PolarHBondContact O-N 3.44Å; I86-V88 VanDerWaalsContact C-N 3.32Å; I86-V88 PolarHBondContact O-N 2.88Å; I86-F89 PolarHBondContact O-N 3.21Å; I86-F89 VanDerWaalsContact O-N 3.17Å; I86-L90 HydrophobicContact CG2-CD1 3.46Å; I86-L90 VanDerWaalsContact CG2-CD1 3.46Å; I86-L90 HydrophobicContact CG2-CG 3.92Å; I86-L90 WeakPolarHBondContact O-CB 3.49Å; I86-L90 VanDerWaalsContact O-CG 3.31Å; I86-L90 WeakPolarHBondContact O-CG 3.32Å; I86-L90 PolarHBondContact O-N 3.17Å; I86-W297 HydrophobicContact CD1-CH2 3.82Å; I86-W297 HydrophobicContact CD1-CZ3 3.95Å; I86-W297 HydrophobicContact CG2-CZ3 4.44Å; I86-F520 HydrophobicContact CG2-CE2 4.12Å; I86-F520 HydrophobicContact CG2-CZ 4.36Å |
| 87 | S | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62.8 | -35.7 | 178.9 | -58.4 | 0 | 0 | 0 | 0 | 113 | P83 Y84 F85 F89 A91 G92 G301 I304 F520 | P83-S87 VanDerWaalsContact O-CB 3.31Å; P83-S87 WeakPolarHBondContact O-CB 3.23Å; P83-S87 PolarHBondContact O-N 3.3Å; P83-S87 PolarHBondContact O-OG 3.43Å; Y84-S87 WeakPolarHBondContact O-CB 3.39Å; Y84-S87 PolarHBondContact O-N 2.92Å; Y84-S87 VanDerWaalsContact O-N 3.14Å; F85-S87 VanDerWaalsContact C-N 3.29Å; F85-S87 PolarHBondContact O-N 2.72Å; S87-F89 PolarHBondContact O-N 3.39Å; S87-A91 PolarHBondContact O-N 3.46Å; S87-G92 PolarHBondContact O-N 2.95Å; S87-G301 WeakPolarHBondContact OG-CA 3.31Å; S87-I304 VanDerWaalsContact CB-CG1 3.47Å; S87-F520 WeakPolarHBondContact OG-CZ 3.33Å |
| 88 | V | 98.3 | Very high | 98.1 | Very high | 6 Ų | 6 | 23.1 Ų | 23.1 | 4% | 0.036 | 12% | 0.116 | C | C | . | . | I | π-helix | trans | -57.5 | -48.5 | 172.8 | 167.6 | 0 | 0 | 0 | 0 | 111.1 | Y84 F85 I86 G92 I93 I304 Y308 A336 | Y84-V88 HydrophobicContact CD1-CG2 4.36Å; Y84-V88 HydrophobicContact CE1-CG2 3.96Å; Y84-V88 PolarHBondContact O-N 3.21Å; F85-V88 WeakPolarHBondContact O-CB 3.35Å; F85-V88 PolarHBondContact O-N 3.5Å; I86-V88 VanDerWaalsContact C-N 3.32Å; I86-V88 PolarHBondContact O-N 2.88Å; V88-G92 WeakPolarHBondContact O-CA 3.36Å; V88-G92 PolarHBondContact O-N 3.01Å; V88-I93 HydrophobicContact CG1-CD1 3.95Å; V88-I93 HydrophobicContact CG1-CG1 4.14Å; V88-I93 PolarHBondContact O-N 3.18Å; V88-I304 HydrophobicContact CG2-CD1 3.45Å; V88-I304 VanDerWaalsContact CG2-CD1 3.45Å; V88-I304 HydrophobicContact CG2-CG1 4.2Å; V88-Y308 VanDerWaalsContact CG1-OH 3.3Å; V88-Y308 WeakPolarHBondContact CG1-OH 3.09Å; V88-Y308 HydrophobicContact CG2-CE2 4.38Å; V88-A336 HydrophobicContact CG1-CB 4.5Å |
| 89 | F | 98.1 | Very high | 98.1 | Very high | 128 Ų | 128 | 22.6 Ų | 22.6 | 56% | 0.561 | 11% | 0.11 | S | C | * | . | I | π-helix | trans | -77 | -37.4 | -176.4 | -72.7 | -70.7 | 0 | 0 | 0 | 113.4 | F85 I86 S87 I93 P94 F512 | F85-F89 WeakPolarHBondContact O-CD2 3.45Å; F85-F89 PolarHBondContact O-N 2.9Å; I86-F89 PolarHBondContact O-N 3.21Å; I86-F89 VanDerWaalsContact O-N 3.17Å; S87-F89 PolarHBondContact O-N 3.39Å; F89-I93 HydrophobicContact CD1-CD1 4.16Å; F89-I93 HydrophobicContact CE1-CD1 4.33Å; F89-P94 WeakPolarHBondContact O-CD 3.46Å; F89-P94 WeakPolarHBondContact O-CG 3.42Å; F89-F512 WeakPolarHBondContact O-CE1 3.35Å |
| 90 | L | 98.3 | Very high | 98.1 | Very high | 53 Ų | 53 | 22.6 Ų | 22.6 | 28% | 0.277 | 11% | 0.11 | S | C | . | . | I | π-helix | trans | -88.3 | -23.1 | -172.8 | -56.7 | -170.4 | 0 | 0 | 0 | 113.9 | I86 V516 T517 F520 | I86-L90 HydrophobicContact CG2-CD1 3.46Å; I86-L90 VanDerWaalsContact CG2-CD1 3.46Å; I86-L90 HydrophobicContact CG2-CG 3.92Å; I86-L90 WeakPolarHBondContact O-CB 3.49Å; I86-L90 VanDerWaalsContact O-CG 3.31Å; I86-L90 WeakPolarHBondContact O-CG 3.32Å; I86-L90 PolarHBondContact O-N 3.17Å; L90-V516 HydrophobicContact CB-CG1 4.08Å; L90-V516 HydrophobicContact CD2-CG1 3.58Å; L90-V516 HydrophobicContact CG-CG1 4.27Å; L90-T517 WeakPolarHBondContact O-CA 3.44Å; L90-T517 PolarHBondContact O-OG1 2.61Å; L90-F520 HydrophobicContact CB-CB 4.23Å; L90-F520 HydrophobicContact CB-CD1 3.76Å; L90-F520 HydrophobicContact CB-CD2 4.19Å; L90-F520 HydrophobicContact CB-CE1 4.12Å; L90-F520 HydrophobicContact CB-CG 3.79Å; L90-F520 HydrophobicContact CD1-CD2 3.65Å; L90-F520 HydrophobicContact CD1-CE2 3.95Å; L90-F520 HydrophobicContact CD1-CG 4.06Å |
| 91 | A | 97.9 | Very high | 98.1 | Very high | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.008 | 11% | 0.11 | C | C | . | . | I | π-helix | trans | -131.7 | -46.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | S87 P94 L95 F305 F520 | S87-A91 PolarHBondContact O-N 3.46Å; A91-P94 WeakPolarHBondContact O-CD 3.33Å; A91-L95 HydrophobicContact CB-CD1 4.34Å; A91-L95 VanDerWaalsContact O-CB 3.29Å; A91-L95 WeakPolarHBondContact O-CB 3.44Å; A91-L95 WeakPolarHBondContact O-CG 3.48Å; A91-L95 PolarHBondContact O-N 3.08Å; A91-F305 HydrophobicContact CB-CE2 3.94Å; A91-F305 HydrophobicContact CB-CZ 4.37Å; A91-F520 HydrophobicContact CB-CD1 3.86Å; A91-F520 HydrophobicContact CB-CE1 4.04Å |
| 92 | G | 98.1 | Very high | 98 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.105 | C | C | . | . | I | π-helix | trans | -54.2 | -68.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | S87 V88 F96 I304 | S87-G92 PolarHBondContact O-N 2.95Å; V88-G92 WeakPolarHBondContact O-CA 3.36Å; V88-G92 PolarHBondContact O-N 3.01Å; G92-F96 WeakPolarHBondContact O-CB 3.32Å; G92-F96 PolarHBondContact O-N 3.38Å; G92-I304 VanDerWaalsContact CA-CG2 3.46Å |
| 93 | I | 98 | Very high | 98 | Very high | 34 Ų | 34 | 18.4 Ų | 18.4 | 17% | 0.174 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -60.9 | -48.2 | -179.4 | -64.3 | 166.7 | 0 | 0 | 0 | 111.6 | V88 F89 L95 L97 A336 | V88-I93 HydrophobicContact CG1-CD1 3.95Å; V88-I93 HydrophobicContact CG1-CG1 4.14Å; V88-I93 PolarHBondContact O-N 3.18Å; F89-I93 HydrophobicContact CD1-CD1 4.16Å; F89-I93 HydrophobicContact CE1-CD1 4.33Å; I93-L95 PolarHBondContact O-N 2.86Å; I93-L97 WeakPolarHBondContact O-CB 3.31Å; I93-L97 PolarHBondContact O-N 3.22Å; I93-A336 HydrophobicContact CD1-CB 3.79Å; I93-A336 HydrophobicContact CG1-CB 3.58Å |
| 94 | P | 98 | Very high | 97.9 | Very high | 7 Ų | 7 | 18.4 Ų | 18.4 | 5% | 0.045 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -60.9 | -43.5 | -178.1 | -27 | 36.4 | 0 | 0 | 0 | 114.7 | F89 A91 L98 F512 W513 T517 | F89-P94 WeakPolarHBondContact O-CD 3.46Å; F89-P94 WeakPolarHBondContact O-CG 3.42Å; A91-P94 WeakPolarHBondContact O-CD 3.33Å; P94-L98 WeakPolarHBondContact O-CB 3.23Å; P94-L98 PolarHBondContact O-N 3.14Å; P94-L98 VanDerWaalsContact O-N 3.14Å; P94-F512 HydrophobicContact CB-CB 4.21Å; P94-F512 HydrophobicContact CB-CD1 4.06Å; P94-F512 HydrophobicContact CB-CG 4.34Å; P94-F512 HydrophobicContact CG-CB 4.4Å; P94-F512 HydrophobicContact CG-CD1 3.36Å; P94-F512 HydrophobicContact CG-CE1 3.78Å; P94-F512 HydrophobicContact CG-CG 4.01Å; P94-W513 PolarHBondContact O-NE1 3.36Å; P94-T517 HydrophobicContact CB-CG2 4.4Å; P94-T517 VanDerWaalsContact CB-OG1 3.32Å; P94-T517 WeakPolarHBondContact CB-OG1 3.19Å |
| 95 | L | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -74.5 | -41.2 | -179.7 | -70 | 173.8 | 0 | 0 | 0 | 111.6 | A91 I93 L97 L98 E99 F305 L310 G477 T517 | A91-L95 HydrophobicContact CB-CD1 4.34Å; A91-L95 VanDerWaalsContact O-CB 3.29Å; A91-L95 WeakPolarHBondContact O-CB 3.44Å; A91-L95 WeakPolarHBondContact O-CG 3.48Å; A91-L95 PolarHBondContact O-N 3.08Å; I93-L95 PolarHBondContact O-N 2.86Å; L95-L97 VanDerWaalsContact C-N 3.31Å; L95-L97 PolarHBondContact O-N 3.49Å; L95-L98 HydrophobicContact CD2-CD2 4.37Å; L95-L98 WeakPolarHBondContact O-CB 3.31Å; L95-L98 PolarHBondContact O-N 3.05Å; L95-L98 VanDerWaalsContact O-N 3.08Å; L95-E99 PolarHBondContact O-N 2.84Å; L95-F305 HydrophobicContact CD1-CE1 3.78Å; L95-F305 HydrophobicContact CD1-CE2 4.42Å; L95-F305 HydrophobicContact CD1-CZ 3.52Å; L95-L310 HydrophobicContact CB-CD1 3.89Å; L95-L310 HydrophobicContact CB-CD2 3.98Å; L95-L310 HydrophobicContact CB-CG 4.48Å; L95-L310 HydrophobicContact CD1-CD1 3.93Å; L95-G477 WeakPolarHBondContact CD2-O 3.42Å; L95-T517 HydrophobicContact CD1-CG2 4.06Å; L95-T517 HydrophobicContact CD2-CG2 3.69Å; L95-T517 HydrophobicContact CG-CG2 3.6Å |
| 96 | F | 98.3 | Very high | 97.5 | Very high | 1 Ų | 1 | 16 Ų | 16 | 0% | 0.004 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -57.5 | -47.6 | 176.4 | -171.5 | -73.8 | 0 | 0 | 0 | 110.9 | C55 G92 L98 E99 V100 Y308 L310 L315 C332 F335 | C55-F96 HydrophobicContact CB-CZ 3.97Å; G92-F96 WeakPolarHBondContact O-CB 3.32Å; G92-F96 PolarHBondContact O-N 3.38Å; F96-L98 VanDerWaalsContact C-N 3.3Å; F96-L98 PolarHBondContact O-N 3.43Å; F96-E99 PolarHBondContact O-N 3.33Å; F96-V100 HydrophobicContact CD1-CG2 3.95Å; F96-V100 HydrophobicContact CE1-CG2 3.73Å; F96-V100 HydrophobicContact CZ-CG2 4.46Å; F96-V100 WeakPolarHBondContact O-CB 3.43Å; F96-V100 VanDerWaalsContact O-CG2 3.26Å; F96-V100 WeakPolarHBondContact O-CG2 3.24Å; F96-V100 PolarHBondContact O-N 3.08Å; F96-V100 VanDerWaalsContact O-N 3.13Å; F96-Y308 HydrophobicContact CB-CD1 4.15Å; F96-Y308 AromaticContact CD2-CD1 3.95Å; F96-Y308 HydrophobicContact CD2-CD1 3.95Å; F96-Y308 HydrophobicContact CG-CD1 4.36Å; F96-L310 HydrophobicContact CB-CD2 3.95Å; F96-L310 HydrophobicContact CD2-CD2 4.47Å; F96-L315 HydrophobicContact CB-CD1 4.44Å; F96-L315 HydrophobicContact CD2-CD1 3.4Å; F96-L315 VanDerWaalsContact CD2-CD1 3.4Å; F96-L315 HydrophobicContact CD2-CD2 4.09Å; F96-L315 HydrophobicContact CD2-CG 4.39Å; F96-L315 HydrophobicContact CE2-CD1 3.69Å; F96-L315 HydrophobicContact CE2-CD2 3.43Å; F96-L315 VanDerWaalsContact CE2-CD2 3.43Å; F96-L315 HydrophobicContact CE2-CG 4.21Å; F96-L315 HydrophobicContact CG-CD1 3.92Å; F96-L315 HydrophobicContact CZ-CD1 4.41Å; F96-L315 HydrophobicContact CZ-CD2 3.69Å; F96-C332 HydrophobicContact CD1-CB 3.97Å; F96-C332 WeakPolarHBondContact CD1-SG 3.47Å; F96-C332 HydrophobicContact CE1-CB 4.23Å; F96-C332 VanDerWaalsContact CE1-SG 3.52Å; F96-F335 AromaticContact CD2-CD1 3.92Å; F96-F335 HydrophobicContact CD2-CD1 3.92Å; F96-F335 AromaticContact CD2-CE1 3.64Å; F96-F335 HydrophobicContact CD2-CE1 3.64Å; F96-F335 HydrophobicContact CD2-CZ 4.46Å; F96-F335 HydrophobicContact CE1-CD1 4.27Å; F96-F335 AromaticContact CE2-CD1 3.55Å; F96-F335 HydrophobicContact CE2-CD1 3.55Å; F96-F335 AromaticContact CE2-CE1 3.37Å; F96-F335 HydrophobicContact CE2-CE1 3.37Å; F96-F335 HydrophobicContact CE2-CE2 4.47Å; F96-F335 HydrophobicContact CE2-CG 4.18Å; F96-F335 AromaticContact CE2-CZ 3.89Å; F96-F335 HydrophobicContact CE2-CZ 3.89Å; F96-F335 HydrophobicContact CG-CD1 4.42Å; F96-F335 HydrophobicContact CG-CE1 4.5Å; F96-F335 AromaticContact CZ-CD1 3.74Å; F96-F335 HydrophobicContact CZ-CD1 3.74Å; F96-F335 HydrophobicContact CZ-CE1 4.04Å; F96-F335 HydrophobicContact CZ-CG 4.03Å |
| 97 | L | 97.9 | Very high | 97.3 | Very high | 7 Ų | 7 | 14.7 Ų | 14.7 | 4% | 0.037 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -61.9 | -39.2 | 176.8 | 179.8 | 64.6 | 0 | 0 | 0 | 111.8 | I93 L95 T101 L329 C332 M497 L505 W513 | I93-L97 WeakPolarHBondContact O-CB 3.31Å; I93-L97 PolarHBondContact O-N 3.22Å; L95-L97 VanDerWaalsContact C-N 3.31Å; L95-L97 PolarHBondContact O-N 3.49Å; L97-T101 WeakPolarHBondContact O-CB 3.12Å; L97-T101 PolarHBondContact O-N 3.31Å; L97-T101 PolarHBondContact O-OG1 3.2Å; L97-L329 HydrophobicContact CD1-CB 4.2Å; L97-L329 HydrophobicContact CD1-CD1 3.93Å; L97-L329 HydrophobicContact CD2-CD1 3.57Å; L97-L329 HydrophobicContact CG-CD1 4.38Å; L97-C332 HydrophobicContact CD1-CB 4.48Å; L97-M497 HydrophobicContact CD1-CE 4.3Å; L97-M497 HydrophobicContact CD2-CE 3.91Å; L97-M497 HydrophobicContact CG-CE 3.79Å; L97-L505 HydrophobicContact CD2-CD1 4.07Å; L97-W513 HydrophobicContact CD2-CH2 4.33Å; L97-W513 HydrophobicContact CD2-CZ2 4.11Å; L97-W513 HydrophobicContact CG-CZ2 4.44Å |
| 98 | L | 97.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -62 | -52.1 | 179.1 | -166.9 | 64.3 | 0 | 0 | 0 | 111.3 | P94 L95 F96 V100 T101 V102 E480 I484 I493 W513 | P94-L98 WeakPolarHBondContact O-CB 3.23Å; P94-L98 PolarHBondContact O-N 3.14Å; P94-L98 VanDerWaalsContact O-N 3.14Å; L95-L98 HydrophobicContact CD2-CD2 4.37Å; L95-L98 WeakPolarHBondContact O-CB 3.31Å; L95-L98 PolarHBondContact O-N 3.05Å; L95-L98 VanDerWaalsContact O-N 3.08Å; F96-L98 VanDerWaalsContact C-N 3.3Å; F96-L98 PolarHBondContact O-N 3.43Å; L98-V100 PolarHBondContact O-N 2.94Å; L98-T101 PolarHBondContact O-N 3.46Å; L98-V102 WeakPolarHBondContact O-CB 3.38Å; L98-V102 VanDerWaalsContact O-CG2 3.28Å; L98-V102 WeakPolarHBondContact O-CG2 3.22Å; L98-V102 PolarHBondContact O-N 3.47Å; L98-E480 HydrophobicContact CD2-CB 4.4Å; L98-I484 HydrophobicContact CD1-CB 4.04Å; L98-I484 HydrophobicContact CD1-CD1 3.82Å; L98-I484 HydrophobicContact CD1-CG2 3.57Å; L98-I484 HydrophobicContact CD2-CB 4.28Å; L98-I484 HydrophobicContact CD2-CD1 3.71Å; L98-I484 HydrophobicContact CG-CD1 3.58Å; L98-I493 HydrophobicContact CD1-CG1 4.31Å; L98-W513 HydrophobicContact CD1-CD2 3.9Å; L98-W513 HydrophobicContact CD1-CE3 4.37Å; L98-W513 HydrophobicContact CD1-CG 4.23Å; L98-W513 HydrophobicContact CD1-CZ2 4.18Å; L98-W513 HydrophobicContact CD2-CG 4.45Å |
| 99 | E | 98.3 | Very high | 96.9 | Very high | 4 Ų | 4 | 16.6 Ų | 16.6 | 2% | 0.019 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -60.1 | -45.4 | 179.5 | -75.4 | -170.9 | -124.4 | 0 | 0 | 112.2 | L95 F96 G103 L310 G311 L315 T316 E480 | L95-E99 PolarHBondContact O-N 2.84Å; F96-E99 PolarHBondContact O-N 3.33Å; E99-G103 PolarHBondContact O-N 2.95Å; E99-L310 WeakPolarHBondContact OE1-CA 3.37Å; E99-G311 PolarHBondContact OE1-N 3.33Å; E99-L315 HydrophobicContact CB-CB 3.89Å; E99-L315 HydrophobicContact CB-CD1 4.45Å; E99-T316 WeakPolarHBondContact O-CA 3.37Å; E99-T316 PolarHBondContact O-OG1 2.7Å; E99-E480 WeakPolarHBondContact CG-OE2 3.09Å |
| 100 | V | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -64.6 | -42.9 | 179 | 172 | 0 | 0 | 0 | 0 | 110.9 | F51 F96 L98 G103 Q104 L315 | F51-V100 HydrophobicContact CE1-CG1 4.26Å; F51-V100 HydrophobicContact CE2-CG1 3.95Å; F51-V100 HydrophobicContact CE2-CG2 4.25Å; F51-V100 HydrophobicContact CZ-CB 4.28Å; F51-V100 HydrophobicContact CZ-CG1 3.45Å; F51-V100 VanDerWaalsContact CZ-CG1 3.45Å; F51-V100 HydrophobicContact CZ-CG2 3.75Å; F96-V100 HydrophobicContact CD1-CG2 3.95Å; F96-V100 HydrophobicContact CE1-CG2 3.73Å; F96-V100 HydrophobicContact CZ-CG2 4.46Å; F96-V100 WeakPolarHBondContact O-CB 3.43Å; F96-V100 VanDerWaalsContact O-CG2 3.26Å; F96-V100 WeakPolarHBondContact O-CG2 3.24Å; F96-V100 PolarHBondContact O-N 3.08Å; F96-V100 VanDerWaalsContact O-N 3.13Å; L98-V100 PolarHBondContact O-N 2.94Å; V100-G103 PolarHBondContact O-N 3Å; V100-Q104 WeakPolarHBondContact O-CB 3.38Å; V100-Q104 PolarHBondContact O-N 3Å; V100-L315 HydrophobicContact CG2-CB 4.12Å |
| 101 | T | 96.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 8.4 Ų | 8.4 | 0% | 0 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -63.6 | -47.2 | 179.5 | -65.5 | 0 | 0 | 0 | 0 | 111.4 | L97 L98 G103 Q104 V105 I493 M497 M500 | L97-T101 WeakPolarHBondContact O-CB 3.12Å; L97-T101 PolarHBondContact O-N 3.31Å; L97-T101 PolarHBondContact O-OG1 3.2Å; L98-T101 PolarHBondContact O-N 3.46Å; T101-G103 VanDerWaalsContact C-N 3.26Å; T101-G103 PolarHBondContact O-N 3Å; T101-Q104 PolarHBondContact O-N 3.06Å; T101-Q104 VanDerWaalsContact O-N 3.14Å; T101-V105 HydrophobicContact CG2-CG2 4.04Å; T101-V105 WeakPolarHBondContact O-CB 3.34Å; T101-V105 VanDerWaalsContact O-CG2 3.28Å; T101-V105 WeakPolarHBondContact O-CG2 3.48Å; T101-V105 PolarHBondContact O-N 2.97Å; T101-I493 HydrophobicContact CG2-CD1 3.72Å; T101-I493 HydrophobicContact CG2-CG1 4.2Å; T101-M497 HydrophobicContact CG2-CE 3.7Å; T101-M497 HydrophobicContact CG2-CG 4.03Å; T101-M497 WeakPolarHBondContact OG1-CE 3.33Å; T101-M500 HydrophobicContact CG2-CE 3.39Å |
| 102 | V | 97 | Very high | 96.6 | Very high | 6 Ų | 6 | 8.9 Ų | 8.9 | 4% | 0.036 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -57.7 | -43.2 | 176.4 | 168 | 0 | 0 | 0 | 0 | 110.5 | L98 T106 A113 I116 T316 I484 I493 | L98-V102 WeakPolarHBondContact O-CB 3.38Å; L98-V102 VanDerWaalsContact O-CG2 3.28Å; L98-V102 WeakPolarHBondContact O-CG2 3.22Å; L98-V102 PolarHBondContact O-N 3.47Å; V102-T106 WeakPolarHBondContact O-CB 3.18Å; V102-T106 VanDerWaalsContact O-CG2 3.24Å; V102-T106 WeakPolarHBondContact O-CG2 3.36Å; V102-T106 PolarHBondContact O-N 3.35Å; V102-T106 VanDerWaalsContact O-N 3.1Å; V102-T106 PolarHBondContact O-OG1 3.18Å; V102-A113 HydrophobicContact CG1-CB 3.79Å; V102-I116 HydrophobicContact CG1-CD1 4.04Å; V102-I116 HydrophobicContact CG2-CD1 3.97Å; V102-T316 HydrophobicContact CG1-CG2 4.35Å; V102-I484 HydrophobicContact CG2-CD1 3.58Å; V102-I493 HydrophobicContact CG2-CD1 4.41Å |
| 103 | G | 96.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 8.9 Ų | 8.9 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -61.5 | -46.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | E99 V100 T101 R107 T316 S320 | E99-G103 PolarHBondContact O-N 2.95Å; V100-G103 PolarHBondContact O-N 3Å; T101-G103 VanDerWaalsContact C-N 3.26Å; T101-G103 PolarHBondContact O-N 3Å; G103-R107 WeakPolarHBondContact O-CA 3.36Å; G103-R107 PolarHBondContact O-N 2.98Å; G103-T316 VanDerWaalsContact CA-O 3.27Å; G103-T316 WeakPolarHBondContact CA-O 3.29Å; G103-S320 WeakPolarHBondContact O-CA 3.02Å |
| 104 | Q | 96.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 7.6 Ų | 7.6 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -69.4 | -40.1 | -176 | -175.7 | 168.9 | -26.5 | 0 | 0 | 113.1 | V100 T101 G319 N322 K323 F324 H326 S328 M500 | V100-Q104 WeakPolarHBondContact O-CB 3.38Å; V100-Q104 PolarHBondContact O-N 3Å; T101-Q104 PolarHBondContact O-N 3.06Å; T101-Q104 VanDerWaalsContact O-N 3.14Å; Q104-G319 VanDerWaalsContact CA-O 3.23Å; Q104-G319 WeakPolarHBondContact CA-O 3.48Å; Q104-N322 HydrophobicContact CB-CB 4.42Å; Q104-N322 HydrophobicContact CG-CB 3.82Å; Q104-N322 PolarHBondContact OE1-ND2 2.9Å; Q104-K323 PolarHBondContact NE2-O 2.83Å; Q104-F324 PolarHBondContact NE2-O 3.45Å; Q104-H326 PolarHBondContact NE2-O 3.02Å; Q104-S328 VanDerWaalsContact OE1-CB 3.26Å; Q104-S328 PolarHBondContact OE1-OG 3.08Å; Q104-M500 HydrophobicContact CB-SD 4Å; Q104-M500 HydrophobicContact CG-SD 3.64Å |
| 105 | V | 95.1 | Very high | 96.4 | Very high | 11 Ų | 11 | 9.2 Ų | 9.2 | 7% | 0.067 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -70.6 | -45.8 | 178.2 | 172.7 | 0 | 0 | 0 | 0 | 111 | T101 D496 M500 | T101-V105 HydrophobicContact CG2-CG2 4.04Å; T101-V105 WeakPolarHBondContact O-CB 3.34Å; T101-V105 VanDerWaalsContact O-CG2 3.28Å; T101-V105 WeakPolarHBondContact O-CG2 3.48Å; T101-V105 PolarHBondContact O-N 2.97Å; V105-D496 HydrophobicContact CG1-CB 4.31Å; V105-D496 HydrophobicContact CG2-CB 3.77Å; V105-M500 HydrophobicContact CG2-CE 3.82Å; V105-M500 HydrophobicContact CG2-CG 4.29Å; V105-M500 HydrophobicContact CG2-SD 3.51Å; V105-M500 VanDerWaalsContact CG2-SD 3.51Å |
| 106 | T | 94.3 | Very high | 96.3 | Very high | 19 Ų | 19 | 9.4 Ų | 9.4 | 12% | 0.117 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -80.2 | -24.8 | -176.1 | 62.9 | 0 | 0 | 0 | 0 | 112.7 | V102 R108 A113 I116 | V102-T106 WeakPolarHBondContact O-CB 3.18Å; V102-T106 VanDerWaalsContact O-CG2 3.24Å; V102-T106 WeakPolarHBondContact O-CG2 3.36Å; V102-T106 PolarHBondContact O-N 3.35Å; V102-T106 VanDerWaalsContact O-N 3.1Å; V102-T106 PolarHBondContact O-OG1 3.18Å; T106-R108 WeakPolarHBondContact O-CG 3.26Å; T106-R108 PolarHBondContact O-N 2.86Å; T106-R108 PolarHBondContact OG1-N 3.42Å; T106-A113 HydrophobicContact CG2-CB 4.3Å; T106-A113 WeakPolarHBondContact OG1-CB 3.13Å; T106-I116 HydrophobicContact CG2-CG2 3.73Å |
| 107 | R | 93 | Very high | 96.3 | Very high | 31 Ų | 31 | 9.3 Ų | 9.3 | 12% | 0.117 | 5% | 0.046 | C | C | . | . | trans | 55.9 | 26.9 | -171.9 | -62.9 | -76 | -62.8 | 163.3 | 13.7 | 112.6 | K42 E43 G103 S320 Y321 N322 | K42-R107 WeakPolarHBondContact CD-O 3.18Å; K42-R107 PolarHBondContact NZ-O 3.3Å; E43-R107 PolarHBondContact O-NH2 3.49Å; E43-R107 VanDerWaalsContact O-NH2 3.15Å; G103-R107 WeakPolarHBondContact O-CA 3.36Å; G103-R107 PolarHBondContact O-N 2.98Å; R107-S320 PolarHBondContact NE-O 3.29Å; R107-S320 PolarHBondContact NH1-O 3.15Å; R107-Y321 PolarHBondContact NH1-O 3.01Å; R107-N322 PolarHBondContact NH1-O 3.45Å | ||
| 108 | R | 93.8 | Very high | 96.2 | Very high | 47 Ų | 47 | 9.1 Ų | 9.1 | 18% | 0.177 | 5% | 0.046 | C | C | . | . | S | Bend | trans | -116.4 | 163.1 | -179.9 | -65 | -60.1 | -174.4 | 161.3 | 2.6 | 112.1 | T106 A112 A113 S320 D595 | T106-R108 WeakPolarHBondContact O-CG 3.26Å; T106-R108 PolarHBondContact O-N 2.86Å; T106-R108 PolarHBondContact OG1-N 3.42Å; R108-A112 HydrophobicContact CB-CB 3.92Å; R108-A112 HydrophobicContact CG-CB 4Å; R108-A113 HydrophobicContact CB-CB 4.3Å; R108-S320 WeakPolarHBondContact O-CB 3.45Å; R108-D595 IonicContact CZ-OD2 2.72Å; R108-D595 IonicContact NH2-OD2 3.45Å; R108-D595 PolarHBondContact NH2-OD2 3.23Å |
| 109 | G | 94.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 5% | 0.049 | C | C | . | . | trans | -67.3 | 173 | 165 | 0 | 0 | 0 | 0 | 0 | 111.9 | I111 A112 A113 V418 D422 | G109-I111 VanDerWaalsContact C-N 3.26Å; G109-I111 PolarHBondContact O-N 3.15Å; G109-I111 VanDerWaalsContact O-N 3.17Å; G109-A112 PolarHBondContact O-N 2.94Å; G109-A113 WeakPolarHBondContact O-CB 3.05Å; G109-A113 PolarHBondContact O-N 3.45Å; G109-V418 VanDerWaalsContact CA-CG1 3.49Å; G109-D422 WeakPolarHBondContact CA-OD2 3.21Å; G109-D422 VanDerWaalsContact N-CG 3.35Å; G109-D422 PolarHBondContact N-OD1 3.15Å; G109-D422 PolarHBondContact N-OD2 2.72Å; G109-D422 VanDerWaalsContact O-OD2 3.08Å | ||
| 110 | V | 97.3 | Very high | 96.2 | Very high | 1 Ų | 1 | 11 Ų | 11 | 1% | 0.006 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -56.7 | -38.6 | -170.9 | 70 | 0 | 0 | 0 | 0 | 112.6 | W114 C127 T128 T316 A419 | V110-W114 PolarHBondContact O-N 3.19Å; V110-C127 HydrophobicContact CG1-CB 4.44Å; V110-C127 HydrophobicContact CG2-CB 4.08Å; V110-T128 VanDerWaalsContact CG1-OG1 3.31Å; V110-T128 WeakPolarHBondContact CG1-OG1 3.29Å; V110-T316 HydrophobicContact CB-CG2 4.41Å; V110-A419 HydrophobicContact CG1-CB 4.09Å |
| 111 | I | 96.4 | Very high | 96.2 | Very high | 7 Ų | 7 | 11.2 Ų | 11.2 | 4% | 0.036 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -70.6 | -49.4 | -175.9 | -55 | 170.3 | 0 | 0 | 0 | 111.9 | G109 A113 W114 Q121 Y125 T128 A419 Y423 | G109-I111 VanDerWaalsContact C-N 3.26Å; G109-I111 PolarHBondContact O-N 3.15Å; G109-I111 VanDerWaalsContact O-N 3.17Å; I111-A113 VanDerWaalsContact C-N 3.33Å; I111-W114 PolarHBondContact O-N 3.34Å; I111-Q121 HydrophobicContact CG2-CG 4.04Å; I111-Q121 PolarHBondContact O-NE2 2.83Å; I111-Y125 HydrophobicContact CD1-CD1 3.93Å; I111-Y125 HydrophobicContact CD1-CE1 4.02Å; I111-Y125 HydrophobicContact CD1-CG 4.4Å; I111-Y125 HydrophobicContact CG2-CD2 3.81Å; I111-Y125 HydrophobicContact CG2-CE1 4.35Å; I111-Y125 HydrophobicContact CG2-CE2 3.55Å; I111-Y125 HydrophobicContact CG2-CG 4.36Å; I111-T128 HydrophobicContact CD1-CG2 4.48Å; I111-A419 HydrophobicContact CD1-CB 4.07Å; I111-A419 HydrophobicContact CG1-CB 4.23Å; I111-Y423 HydrophobicContact CB-CE2 4.08Å; I111-Y423 HydrophobicContact CD1-CE2 4.02Å; I111-Y423 HydrophobicContact CG2-CE2 3.59Å; I111-Y423 WeakPolarHBondContact CG2-OH 3.39Å |
| 112 | A | 95.3 | Very high | 96.2 | Very high | 12 Ų | 12 | 11.2 Ų | 11.2 | 10% | 0.099 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -77.6 | -21.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | R108 G109 W114 N115 D422 | R108-A112 HydrophobicContact CB-CB 3.92Å; R108-A112 HydrophobicContact CG-CB 4Å; G109-A112 PolarHBondContact O-N 2.94Å; A112-W114 PolarHBondContact O-N 3.46Å; A112-N115 WeakPolarHBondContact O-CB 3.45Å; A112-N115 VanDerWaalsContact O-CG 3.25Å; A112-N115 PolarHBondContact O-N 3.46Å; A112-N115 PolarHBondContact O-ND2 2.88Å; A112-D422 HydrophobicContact CB-CB 3.63Å; A112-D422 VanDerWaalsContact CB-CG 3.49Å; A112-D422 WeakPolarHBondContact CB-OD2 3.36Å; A112-D422 PolarHBondContact N-OD2 3.29Å |
| 113 | A | 96.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -61 | -30.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | V102 T106 R108 G109 I111 N115 I116 T316 | V102-A113 HydrophobicContact CG1-CB 3.79Å; T106-A113 HydrophobicContact CG2-CB 4.3Å; T106-A113 WeakPolarHBondContact OG1-CB 3.13Å; R108-A113 HydrophobicContact CB-CB 4.3Å; G109-A113 WeakPolarHBondContact O-CB 3.05Å; G109-A113 PolarHBondContact O-N 3.45Å; I111-A113 VanDerWaalsContact C-N 3.33Å; A113-N115 PolarHBondContact O-N 2.86Å; A113-N115 VanDerWaalsContact O-N 3.12Å; A113-I116 WeakPolarHBondContact O-CG1 3.45Å; A113-I116 WeakPolarHBondContact O-CG2 3.45Å; A113-I116 PolarHBondContact O-N 3.41Å; A113-T316 HydrophobicContact CB-CG2 3.7Å |
| 114 | W | 97.1 | Very high | 96.3 | Very high | 6 Ų | 6 | 10.9 Ų | 10.9 | 2% | 0.023 | 5% | 0.053 | C | C | . | . | G | 310 helix | trans | -69.9 | 1.7 | 171.4 | -75.8 | 102.7 | 0 | 0 | 0 | 115 | V110 I111 A112 I116 C117 F120 Q121 I123 G124 E480 V483 I484 | V110-W114 PolarHBondContact O-N 3.19Å; I111-W114 PolarHBondContact O-N 3.34Å; A112-W114 PolarHBondContact O-N 3.46Å; W114-I116 HydrophobicContact CE3-CD1 4.38Å; W114-I116 HydrophobicContact CE3-CG1 4.27Å; W114-I116 HydrophobicContact CZ3-CD1 4.31Å; W114-I116 PolarHBondContact O-N 2.89Å; W114-I116 VanDerWaalsContact O-N 3.08Å; W114-C117 CarbonylContact O-C 3.59Å; W114-C117 PolarHBondContact O-N 3.31Å; W114-C117 VanDerWaalsContact O-O 3.08Å; W114-F120 HydrophobicContact CE3-CB 4.46Å; W114-Q121 HydrophobicContact CB-CB 4.3Å; W114-Q121 HydrophobicContact CB-CG 4.38Å; W114-I123 HydrophobicContact CD2-CB 4.03Å; W114-I123 HydrophobicContact CD2-CD1 4.41Å; W114-I123 HydrophobicContact CD2-CG2 4.35Å; W114-I123 VanDerWaalsContact CE2-CG2 3.5Å; W114-I123 HydrophobicContact CE3-CD1 4.14Å; W114-I123 HydrophobicContact CG-CB 4.44Å; W114-I123 HydrophobicContact CH2-CD1 3.79Å; W114-I123 HydrophobicContact CH2-CG2 4.35Å; W114-I123 HydrophobicContact CZ2-CB 4.08Å; W114-I123 HydrophobicContact CZ2-CD1 4.05Å; W114-I123 HydrophobicContact CZ2-CG2 3.55Å; W114-I123 HydrophobicContact CZ3-CD1 3.8Å; W114-G124 VanDerWaalsContact CD1-CA 3.46Å; W114-E480 HydrophobicContact CH2-CB 4.13Å; W114-E480 HydrophobicContact CH2-CG 4Å; W114-E480 HydrophobicContact CZ2-CB 4.22Å; W114-E480 HydrophobicContact CZ2-CG 3.64Å; W114-V483 HydrophobicContact CZ3-CB 4.14Å; W114-V483 HydrophobicContact CZ3-CG1 3.81Å; W114-I484 HydrophobicContact CH2-CD1 3.81Å; W114-I484 HydrophobicContact CH2-CG1 4.04Å; W114-I484 HydrophobicContact CZ3-CD1 4.39Å; W114-I484 HydrophobicContact CZ3-CG1 4.2Å |
| 115 | N | 95.7 | Very high | 96.4 | Very high | 41 Ų | 41 | 14.4 Ų | 14.4 | 22% | 0.219 | 7% | 0.067 | C | C | . | . | G | 310 helix | trans | -62.8 | -8.7 | 164.4 | -71 | -14.3 | 0 | 0 | 0 | 112.5 | A112 A113 C117 P118 Q121 P592 I593 | A112-N115 WeakPolarHBondContact O-CB 3.45Å; A112-N115 VanDerWaalsContact O-CG 3.25Å; A112-N115 PolarHBondContact O-N 3.46Å; A112-N115 PolarHBondContact O-ND2 2.88Å; A113-N115 PolarHBondContact O-N 2.86Å; A113-N115 VanDerWaalsContact O-N 3.12Å; N115-C117 PolarHBondContact O-N 3.49Å; N115-P118 WeakPolarHBondContact O-CD 3.35Å; N115-Q121 PolarHBondContact OD1-NE2 2.85Å; N115-P592 CarbonylContact O-C 3.49Å; N115-P592 WeakPolarHBondContact O-CA 3.22Å; N115-I593 HydrophobicContact CB-CB 4.42Å; N115-I593 VanDerWaalsContact CB-O 3.29Å; N115-I593 WeakPolarHBondContact CB-O 3.45Å; N115-I593 PolarHBondContact O-N 3.4Å |
| 116 | I | 96.4 | Very high | 96.4 | Very high | 4 Ų | 4 | 13.9 Ų | 13.9 | 2% | 0.021 | 6% | 0.064 | C | C | . | . | G | 310 helix | trans | -58.5 | -27.7 | 163.3 | 64.2 | 174.4 | 0 | 0 | 0 | 112.6 | V102 T106 A113 W114 I484 Y488 P592 I594 | V102-I116 HydrophobicContact CG1-CD1 4.04Å; V102-I116 HydrophobicContact CG2-CD1 3.97Å; T106-I116 HydrophobicContact CG2-CG2 3.73Å; A113-I116 WeakPolarHBondContact O-CG1 3.45Å; A113-I116 WeakPolarHBondContact O-CG2 3.45Å; A113-I116 PolarHBondContact O-N 3.41Å; W114-I116 HydrophobicContact CE3-CD1 4.38Å; W114-I116 HydrophobicContact CE3-CG1 4.27Å; W114-I116 HydrophobicContact CZ3-CD1 4.31Å; W114-I116 PolarHBondContact O-N 2.89Å; W114-I116 VanDerWaalsContact O-N 3.08Å; I116-I484 HydrophobicContact CD1-CD1 4.09Å; I116-I484 HydrophobicContact CD1-CG1 3.89Å; I116-Y488 HydrophobicContact CB-CD2 3.67Å; I116-Y488 HydrophobicContact CB-CE2 3.65Å; I116-Y488 HydrophobicContact CB-CG 4.41Å; I116-Y488 HydrophobicContact CG1-CD2 4.48Å; I116-Y488 HydrophobicContact CG2-CD2 4.39Å; I116-Y488 HydrophobicContact CG2-CE2 3.88Å; I116-Y488 WeakPolarHBondContact O-CD2 3.39Å; I116-P592 WeakPolarHBondContact O-CA 3.11Å; I116-P592 WeakPolarHBondContact O-CG 3.27Å; I116-I594 HydrophobicContact CG2-CD1 4.18Å; I116-I594 HydrophobicContact CG2-CG1 4.45Å |
| 117 | C | 97.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 6% | 0.058 | C | C | . | . | S | Bend | trans | -151 | 83.6 | 173.1 | -168.9 | 0 | 0 | 0 | 0 | 109.4 | W114 N115 L119 F120 V483 I487 | W114-C117 CarbonylContact O-C 3.59Å; W114-C117 PolarHBondContact O-N 3.31Å; W114-C117 VanDerWaalsContact O-O 3.08Å; N115-C117 PolarHBondContact O-N 3.49Å; C117-L119 PolarHBondContact O-N 3.49Å; C117-F120 PolarHBondContact O-N 2.92Å; C117-V483 HydrophobicContact CB-CG1 3.81Å; C117-I487 VanDerWaalsContact SG-CG2 3.58Å |
| 118 | P | 97.4 | Very high | 96.7 | Very high | 3 Ų | 3 | 12.3 Ų | 12.3 | 2% | 0.019 | 6% | 0.057 | C | C | . | . | G | 310 helix | trans | -52.3 | -29.4 | -175 | -29.6 | 34.7 | 0 | 0 | 0 | 115.2 | N115 F120 Q121 L589 I591 I593 | N115-P118 WeakPolarHBondContact O-CD 3.35Å; P118-F120 PolarHBondContact O-N 3.49Å; P118-Q121 WeakPolarHBondContact O-CB 3.24Å; P118-Q121 PolarHBondContact O-N 2.88Å; P118-L589 HydrophobicContact CB-CD2 3.89Å; P118-L589 WeakPolarHBondContact CD-O 3.26Å; P118-L589 VanDerWaalsContact N-O 3.15Å; P118-I591 WeakPolarHBondContact CD-O 3.32Å; P118-I593 HydrophobicContact CB-CD1 4.49Å; P118-I593 HydrophobicContact CG-CD1 3.64Å; P118-I593 HydrophobicContact CG-CG1 3.89Å |
| 119 | L | 98 | Very high | 96.8 | Very high | 12 Ų | 12 | 12.2 Ų | 12.2 | 6% | 0.063 | 6% | 0.06 | C | C | . | . | G | 310 helix | trans | -57.5 | -33.6 | 175.4 | -171.1 | 64.6 | 0 | 0 | 0 | 112.7 | C117 M571 I575 I586 L589 | C117-L119 PolarHBondContact O-N 3.49Å; L119-M571 HydrophobicContact CD1-CG 3.59Å; L119-M571 HydrophobicContact CD1-SD 4.46Å; L119-M571 HydrophobicContact CG-CE 4.4Å; L119-M571 HydrophobicContact CG-CG 4.03Å; L119-I575 HydrophobicContact CD1-CD1 4.04Å; L119-I575 HydrophobicContact CD1-CG1 3.99Å; L119-I586 HydrophobicContact CD2-CG2 4.29Å; L119-L589 HydrophobicContact CB-CB 3.78Å; L119-L589 WeakPolarHBondContact CB-O 3.21Å; L119-L589 HydrophobicContact CD1-CB 4.05Å; L119-L589 HydrophobicContact CD1-CD1 3.92Å; L119-L589 HydrophobicContact CG-CB 4.48Å; L119-L589 PolarHBondContact N-O 3.11Å |
| 120 | F | 97.9 | Very high | 96.9 | Very high | 30 Ų | 30 | 12.2 Ų | 12.2 | 13% | 0.132 | 6% | 0.06 | C | C | . | . | G | 310 helix | trans | -106.7 | 19.1 | -177.4 | -73 | -87.3 | 0 | 0 | 0 | 112.9 | W114 C117 P118 G122 I123 V483 I487 M571 | W114-F120 HydrophobicContact CE3-CB 4.46Å; C117-F120 PolarHBondContact O-N 2.92Å; P118-F120 PolarHBondContact O-N 3.49Å; F120-G122 PolarHBondContact O-N 3.4Å; F120-I123 HydrophobicContact CB-CD1 3.93Å; F120-I123 HydrophobicContact CB-CG1 4.4Å; F120-I123 HydrophobicContact CD1-CD1 4.28Å; F120-I123 WeakPolarHBondContact O-CB 3.26Å; F120-I123 WeakPolarHBondContact O-CG1 3.31Å; F120-I123 PolarHBondContact O-N 2.95Å; F120-V483 HydrophobicContact CB-CG1 4.09Å; F120-V483 HydrophobicContact CB-CG2 4.11Å; F120-V483 HydrophobicContact CD1-CG2 3.57Å; F120-V483 HydrophobicContact CD2-CG1 3.96Å; F120-V483 HydrophobicContact CD2-CG2 3.78Å; F120-V483 HydrophobicContact CE1-CG2 3.83Å; F120-V483 HydrophobicContact CE2-CG2 4.04Å; F120-V483 HydrophobicContact CG-CB 4.49Å; F120-V483 HydrophobicContact CG-CG1 4.08Å; F120-V483 HydrophobicContact CG-CG2 3.53Å; F120-V483 HydrophobicContact CZ-CG2 4.06Å; F120-I487 HydrophobicContact CD2-CD1 4.04Å; F120-I487 HydrophobicContact CE2-CD1 3.33Å; F120-I487 HydrophobicContact CZ-CD1 3.98Å; F120-M571 HydrophobicContact CD1-CE 3.95Å; F120-M571 HydrophobicContact CE1-CE 3.55Å; F120-M571 HydrophobicContact CE2-CE 4.39Å; F120-M571 HydrophobicContact CZ-CE 3.8Å |
| 121 | Q | 97.2 | Very high | 96.8 | Very high | 5 Ų | 5 | 12.3 Ų | 12.3 | 2% | 0.023 | 6% | 0.061 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -23.7 | 176.7 | -176.3 | 163.2 | 54.5 | 0 | 0 | 113.9 | I111 W114 N115 P118 I123 G124 Y125 V570 | I111-Q121 HydrophobicContact CG2-CG 4.04Å; I111-Q121 PolarHBondContact O-NE2 2.83Å; W114-Q121 HydrophobicContact CB-CB 4.3Å; W114-Q121 HydrophobicContact CB-CG 4.38Å; N115-Q121 PolarHBondContact OD1-NE2 2.85Å; P118-Q121 WeakPolarHBondContact O-CB 3.24Å; P118-Q121 PolarHBondContact O-N 2.88Å; Q121-I123 PolarHBondContact O-N 3Å; Q121-G124 PolarHBondContact O-N 2.99Å; Q121-G124 VanDerWaalsContact O-N 3.15Å; Q121-Y125 HydrophobicContact CG-CD2 4.42Å; Q121-Y125 HydrophobicContact CG-CE2 4.19Å; Q121-V570 HydrophobicContact CB-CG1 4.22Å |
| 122 | G | 97.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -59.3 | -21 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | F120 Y125 A126 | F120-G122 PolarHBondContact O-N 3.4Å; G122-Y125 PolarHBondContact O-N 3.32Å; G122-A126 PolarHBondContact O-N 3.15Å |
| 123 | I | 98 | Very high | 96.6 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -59.7 | -48.3 | 172.9 | -64.1 | 174 | 0 | 0 | 0 | 110.1 | W114 F120 Q121 Y125 A126 C127 V476 L479 E480 V483 I567 | W114-I123 HydrophobicContact CD2-CB 4.03Å; W114-I123 HydrophobicContact CD2-CD1 4.41Å; W114-I123 HydrophobicContact CD2-CG2 4.35Å; W114-I123 VanDerWaalsContact CE2-CG2 3.5Å; W114-I123 HydrophobicContact CE3-CD1 4.14Å; W114-I123 HydrophobicContact CG-CB 4.44Å; W114-I123 HydrophobicContact CH2-CD1 3.79Å; W114-I123 HydrophobicContact CH2-CG2 4.35Å; W114-I123 HydrophobicContact CZ2-CB 4.08Å; W114-I123 HydrophobicContact CZ2-CD1 4.05Å; W114-I123 HydrophobicContact CZ2-CG2 3.55Å; W114-I123 HydrophobicContact CZ3-CD1 3.8Å; F120-I123 HydrophobicContact CB-CD1 3.93Å; F120-I123 HydrophobicContact CB-CG1 4.4Å; F120-I123 HydrophobicContact CD1-CD1 4.28Å; F120-I123 WeakPolarHBondContact O-CB 3.26Å; F120-I123 WeakPolarHBondContact O-CG1 3.31Å; F120-I123 PolarHBondContact O-N 2.95Å; Q121-I123 PolarHBondContact O-N 3Å; I123-Y125 VanDerWaalsContact C-N 3.28Å; I123-Y125 PolarHBondContact O-N 3.01Å; I123-A126 WeakPolarHBondContact O-CB 3.28Å; I123-A126 PolarHBondContact O-N 3.4Å; I123-A126 VanDerWaalsContact O-N 3.1Å; I123-C127 PolarHBondContact O-N 2.92Å; I123-C127 PolarHBondContact O-SG 2.76Å; I123-V476 HydrophobicContact CG2-CG1 4.13Å; I123-L479 HydrophobicContact CD1-CB 3.83Å; I123-L479 HydrophobicContact CG1-CB 4.39Å; I123-E480 HydrophobicContact CG2-CG 3.91Å; I123-V483 HydrophobicContact CD1-CG2 4.22Å; I123-I567 HydrophobicContact CG1-CD1 4.22Å; I123-I567 HydrophobicContact CG1-CG1 4.46Å; I123-I567 HydrophobicContact CG1-CG2 4.35Å |
| 124 | G | 97.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -63.5 | -34.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | W114 Q121 T128 | W114-G124 VanDerWaalsContact CD1-CA 3.46Å; Q121-G124 PolarHBondContact O-N 2.99Å; Q121-G124 VanDerWaalsContact O-N 3.15Å; G124-T128 WeakPolarHBondContact O-CB 3.47Å; G124-T128 PolarHBondContact O-N 3.13Å; G124-T128 PolarHBondContact O-OG1 2.84Å |
| 125 | Y | 97 | Very high | 96.4 | Very high | 74 Ų | 74 | 16.7 Ų | 16.7 | 29% | 0.29 | 8% | 0.079 | S | C | . | . | H | α-helix | trans | -66.2 | -42.4 | 172.7 | -78.2 | -79.6 | 0 | 0 | 0 | 112.1 | I111 Q121 G122 I123 T128 L129 Y423 V570 | I111-Y125 HydrophobicContact CD1-CD1 3.93Å; I111-Y125 HydrophobicContact CD1-CE1 4.02Å; I111-Y125 HydrophobicContact CD1-CG 4.4Å; I111-Y125 HydrophobicContact CG2-CD2 3.81Å; I111-Y125 HydrophobicContact CG2-CE1 4.35Å; I111-Y125 HydrophobicContact CG2-CE2 3.55Å; I111-Y125 HydrophobicContact CG2-CG 4.36Å; Q121-Y125 HydrophobicContact CG-CD2 4.42Å; Q121-Y125 HydrophobicContact CG-CE2 4.19Å; G122-Y125 PolarHBondContact O-N 3.32Å; I123-Y125 VanDerWaalsContact C-N 3.28Å; I123-Y125 PolarHBondContact O-N 3.01Å; Y125-T128 PolarHBondContact O-N 3.39Å; Y125-L129 PolarHBondContact O-N 3.47Å; Y125-Y423 AromaticContact CZ-CZ 3.9Å; Y125-Y423 PolarHBondContact OH-OH 3.26Å; Y125-V570 HydrophobicContact CD2-CG1 4.42Å; Y125-V570 HydrophobicContact CD2-CG2 3.84Å; Y125-V570 HydrophobicContact CE2-CG1 4.37Å; Y125-V570 HydrophobicContact CE2-CG2 4.13Å; Y125-V570 HydrophobicContact CG-CG2 4.39Å |
| 126 | A | 97 | Very high | 96.3 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -59.8 | -50.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | G122 I123 T128 L129 I130 V476 S563 I567 | G122-A126 PolarHBondContact O-N 3.15Å; I123-A126 WeakPolarHBondContact O-CB 3.28Å; I123-A126 PolarHBondContact O-N 3.4Å; I123-A126 VanDerWaalsContact O-N 3.1Å; A126-T128 VanDerWaalsContact C-N 3.29Å; A126-T128 PolarHBondContact O-N 3.42Å; A126-L129 PolarHBondContact O-N 3.37Å; A126-I130 WeakPolarHBondContact O-CD1 3.05Å; A126-I130 WeakPolarHBondContact O-CG1 3.17Å; A126-I130 PolarHBondContact O-N 3.14Å; A126-V476 HydrophobicContact CB-CG2 4.34Å; A126-S563 WeakPolarHBondContact CB-O 3.26Å; A126-I567 HydrophobicContact CB-CD1 4.22Å; A126-I567 HydrophobicContact CB-CG1 4Å |
| 127 | C | 96.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -54.7 | -45.7 | 176.3 | -60 | 0 | 0 | 0 | 0 | 111.7 | V110 I123 L129 I130 N131 G311 V476 | V110-C127 HydrophobicContact CG1-CB 4.44Å; V110-C127 HydrophobicContact CG2-CB 4.08Å; I123-C127 PolarHBondContact O-N 2.92Å; I123-C127 PolarHBondContact O-SG 2.76Å; C127-L129 PolarHBondContact O-N 2.86Å; C127-I130 PolarHBondContact O-N 2.77Å; C127-N131 VanDerWaalsContact O-CB 3.27Å; C127-N131 WeakPolarHBondContact O-CB 3.31Å; C127-N131 PolarHBondContact O-N 2.76Å; C127-G311 PolarHBondContact SG-O 3.16Å; C127-G311 VanDerWaalsContact SG-O 3.4Å; C127-V476 WeakPolarHBondContact SG-CG1 3.3Å |
| 128 | T | 96.6 | Very high | 96.1 | Very high | 16 Ų | 16 | 16.9 Ų | 16.9 | 10% | 0.098 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -64.4 | -41.5 | -178.9 | -56.1 | 0 | 0 | 0 | 0 | 112 | V110 I111 G124 Y125 A126 F132 F416 A419 | V110-T128 VanDerWaalsContact CG1-OG1 3.31Å; V110-T128 WeakPolarHBondContact CG1-OG1 3.29Å; I111-T128 HydrophobicContact CD1-CG2 4.48Å; G124-T128 WeakPolarHBondContact O-CB 3.47Å; G124-T128 PolarHBondContact O-N 3.13Å; G124-T128 PolarHBondContact O-OG1 2.84Å; Y125-T128 PolarHBondContact O-N 3.39Å; A126-T128 VanDerWaalsContact C-N 3.29Å; A126-T128 PolarHBondContact O-N 3.42Å; T128-F132 PolarHBondContact O-N 3.27Å; T128-F416 HydrophobicContact CG2-CD2 3.64Å; T128-F416 HydrophobicContact CG2-CE2 3.87Å; T128-A419 HydrophobicContact CG2-CB 3.95Å |
| 129 | L | 95.5 | Very high | 96.1 | Very high | 46 Ų | 46 | 16.7 Ų | 16.7 | 24% | 0.241 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -71 | -40.8 | 178.8 | -177 | 58.3 | 0 | 0 | 0 | 112.2 | Y125 A126 C127 N131 F132 F133 L566 | Y125-L129 PolarHBondContact O-N 3.47Å; A126-L129 PolarHBondContact O-N 3.37Å; C127-L129 PolarHBondContact O-N 2.86Å; L129-N131 VanDerWaalsContact C-N 3.34Å; L129-N131 PolarHBondContact O-N 3.46Å; L129-F132 HydrophobicContact CD1-CD1 4.41Å; L129-F132 WeakPolarHBondContact O-CB 3.2Å; L129-F132 PolarHBondContact O-N 2.77Å; L129-F133 HydrophobicContact CD1-CD2 4.43Å; L129-F133 HydrophobicContact CD1-CE2 3.85Å; L129-F133 HydrophobicContact CD1-CZ 3.9Å; L129-F133 HydrophobicContact CD2-CE2 4.12Å; L129-F133 HydrophobicContact CD2-CZ 4.49Å; L129-F133 HydrophobicContact CG-CD2 4.22Å; L129-F133 HydrophobicContact CG-CE2 3.66Å; L129-F133 HydrophobicContact CG-CZ 4.18Å; L129-F133 WeakPolarHBondContact O-CD2 3.32Å; L129-F133 PolarHBondContact O-N 3.02Å; L129-F133 VanDerWaalsContact O-N 3.08Å; L129-L566 HydrophobicContact CB-CD1 4.04Å; L129-L566 HydrophobicContact CD2-CD1 3.73Å |
| 130 | I | 95.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -58.1 | -50.5 | 173.6 | -64.7 | 162.4 | 0 | 0 | 0 | 109.5 | A126 C127 F132 F133 L134 L312 I472 I473 V476 | A126-I130 WeakPolarHBondContact O-CD1 3.05Å; A126-I130 WeakPolarHBondContact O-CG1 3.17Å; A126-I130 PolarHBondContact O-N 3.14Å; C127-I130 PolarHBondContact O-N 2.77Å; I130-F132 VanDerWaalsContact C-N 3.28Å; I130-F132 PolarHBondContact O-N 2.73Å; I130-F133 PolarHBondContact O-N 3.33Å; I130-F133 VanDerWaalsContact O-N 3.14Å; I130-L134 HydrophobicContact CG2-CD1 3.89Å; I130-L134 VanDerWaalsContact O-CD1 3.27Å; I130-L134 WeakPolarHBondContact O-CD1 3.26Å; I130-L134 PolarHBondContact O-N 3.3Å; I130-L312 HydrophobicContact CB-CD2 4.39Å; I130-L312 HydrophobicContact CG2-CD2 3.52Å; I130-I472 HydrophobicContact CD1-CG2 3.85Å; I130-I472 HydrophobicContact CG1-CG2 4.37Å; I130-I473 HydrophobicContact CD1-CG2 4.34Å; I130-I473 HydrophobicContact CG2-CG2 4.07Å; I130-V476 HydrophobicContact CD1-CG2 3.96Å |
| 131 | N | 95.6 | Very high | 96.1 | Very high | 3 Ų | 3 | 15 Ų | 15 | 2% | 0.016 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -58.8 | -38.1 | 177.8 | -179 | 38.7 | 0 | 0 | 0 | 112.3 | C127 L129 L134 N135 L312 G412 | C127-N131 VanDerWaalsContact O-CB 3.27Å; C127-N131 WeakPolarHBondContact O-CB 3.31Å; C127-N131 PolarHBondContact O-N 2.76Å; L129-N131 VanDerWaalsContact C-N 3.34Å; L129-N131 PolarHBondContact O-N 3.46Å; N131-L134 PolarHBondContact O-N 2.77Å; N131-N135 WeakPolarHBondContact O-CB 3.22Å; N131-N135 VanDerWaalsContact O-CG 3.24Å; N131-N135 PolarHBondContact O-N 3.12Å; N131-N135 PolarHBondContact O-ND2 3.4Å; N131-N135 PolarHBondContact OD1-ND2 3.22Å; N131-L312 HydrophobicContact CB-CB 4.5Å; N131-G412 PolarHBondContact ND2-O 2.76Å; N131-G412 WeakPolarHBondContact OD1-CA 3.17Å; N131-G412 PolarHBondContact OD1-O 3.01Å |
| 132 | F | 94.5 | Very high | 96.1 | Very high | 50 Ų | 50 | 14.8 Ų | 14.8 | 22% | 0.219 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -60.8 | -46.6 | 174 | 176.6 | -100.9 | 0 | 0 | 0 | 112.6 | T128 L129 I130 L134 N135 C136 F416 V448 | T128-F132 PolarHBondContact O-N 3.27Å; L129-F132 HydrophobicContact CD1-CD1 4.41Å; L129-F132 WeakPolarHBondContact O-CB 3.2Å; L129-F132 PolarHBondContact O-N 2.77Å; I130-F132 VanDerWaalsContact C-N 3.28Å; I130-F132 PolarHBondContact O-N 2.73Å; F132-L134 PolarHBondContact O-N 3.36Å; F132-N135 PolarHBondContact O-N 2.81Å; F132-C136 PolarHBondContact O-N 3.1Å; F132-C136 VanDerWaalsContact O-N 3.15Å; F132-C136 PolarHBondContact O-SG 2.94Å; F132-F416 HydrophobicContact CB-CD2 4.14Å; F132-F416 HydrophobicContact CB-CE2 4.05Å; F132-F416 HydrophobicContact CD2-CD2 4.43Å; F132-F416 HydrophobicContact CD2-CE2 4.02Å; F132-F416 HydrophobicContact CD2-CZ 4.39Å; F132-F416 HydrophobicContact CG-CE2 4.34Å; F132-V448 HydrophobicContact CZ-CG2 4.46Å |
| 133 | F | 94 | Very high | 96.2 | Very high | 36 Ų | 36 | 14.8 Ų | 14.8 | 16% | 0.158 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -61.9 | -43.3 | 175.9 | -68.3 | -49.2 | 0 | 0 | 0 | 112.1 | L129 I130 N135 C136 Y137 L464 I559 | L129-F133 HydrophobicContact CD1-CD2 4.43Å; L129-F133 HydrophobicContact CD1-CE2 3.85Å; L129-F133 HydrophobicContact CD1-CZ 3.9Å; L129-F133 HydrophobicContact CD2-CE2 4.12Å; L129-F133 HydrophobicContact CD2-CZ 4.49Å; L129-F133 HydrophobicContact CG-CD2 4.22Å; L129-F133 HydrophobicContact CG-CE2 3.66Å; L129-F133 HydrophobicContact CG-CZ 4.18Å; L129-F133 WeakPolarHBondContact O-CD2 3.32Å; L129-F133 PolarHBondContact O-N 3.02Å; L129-F133 VanDerWaalsContact O-N 3.08Å; I130-F133 PolarHBondContact O-N 3.33Å; I130-F133 VanDerWaalsContact O-N 3.14Å; F133-N135 VanDerWaalsContact C-N 3.35Å; F133-N135 PolarHBondContact O-N 3.42Å; F133-C136 WeakPolarHBondContact O-CB 3.42Å; F133-C136 PolarHBondContact O-N 3.17Å; F133-C136 VanDerWaalsContact O-N 3.1Å; F133-Y137 VanDerWaalsContact O-CD1 3.25Å; F133-Y137 WeakPolarHBondContact O-CD1 3.17Å; F133-Y137 PolarHBondContact O-N 3.4Å; F133-L464 HydrophobicContact CD1-CD2 4.28Å; F133-I559 HydrophobicContact CD2-CG2 4.1Å; F133-I559 HydrophobicContact CE1-CG2 4.45Å; F133-I559 HydrophobicContact CE2-CG2 3.88Å; F133-I559 HydrophobicContact CG-CG2 4.48Å; F133-I559 HydrophobicContact CZ-CG2 4.08Å |
| 134 | L | 94.4 | Very high | 96.2 | Very high | 23 Ų | 23 | 14.8 Ų | 14.8 | 12% | 0.12 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -57.8 | -47.2 | 176.4 | -93.1 | 64.4 | 0 | 0 | 0 | 111.6 | I130 N131 F132 C136 Y137 Y138 L312 | I130-L134 HydrophobicContact CG2-CD1 3.89Å; I130-L134 VanDerWaalsContact O-CD1 3.27Å; I130-L134 WeakPolarHBondContact O-CD1 3.26Å; I130-L134 PolarHBondContact O-N 3.3Å; N131-L134 PolarHBondContact O-N 2.77Å; F132-L134 PolarHBondContact O-N 3.36Å; L134-C136 PolarHBondContact O-N 2.99Å; L134-Y137 HydrophobicContact CB-CE1 4.25Å; L134-Y137 HydrophobicContact CD1-CE1 3.94Å; L134-Y137 HydrophobicContact CG-CE1 3.86Å; L134-Y137 PolarHBondContact O-N 3.37Å; L134-Y138 WeakPolarHBondContact O-CB 3.31Å; L134-Y138 PolarHBondContact O-N 2.78Å; L134-L312 HydrophobicContact CD2-CD1 3.66Å; L134-L312 HydrophobicContact CD2-CD2 3.76Å; L134-L312 HydrophobicContact CD2-CG 4.41Å |
| 135 | N | 95.1 | Very high | 96.2 | Very high | 8 Ų | 8 | 14.8 Ų | 14.8 | 4% | 0.043 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -58.5 | -36.3 | 176.7 | -73.6 | -38.7 | 0 | 0 | 0 | 112.4 | N131 F132 F133 T139 M409 G412 | N131-N135 WeakPolarHBondContact O-CB 3.22Å; N131-N135 VanDerWaalsContact O-CG 3.24Å; N131-N135 PolarHBondContact O-N 3.12Å; N131-N135 PolarHBondContact O-ND2 3.4Å; N131-N135 PolarHBondContact OD1-ND2 3.22Å; F132-N135 PolarHBondContact O-N 2.81Å; F133-N135 VanDerWaalsContact C-N 3.35Å; F133-N135 PolarHBondContact O-N 3.42Å; N135-T139 PolarHBondContact O-OG1 3.45Å; N135-M409 HydrophobicContact CB-CE 3.9Å; N135-M409 VanDerWaalsContact O-CE 3.31Å; N135-M409 WeakPolarHBondContact O-CE 3.41Å; N135-G412 PolarHBondContact ND2-O 3.24Å; N135-G412 WeakPolarHBondContact OD1-CA 3.25Å |
| 136 | C | 93 | Very high | 96.3 | Very high | 1 Ų | 1 | 12 Ų | 12 | 1% | 0.007 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -68.7 | -46.9 | -178.3 | -67.2 | 0 | 0 | 0 | 0 | 112.9 | F132 F133 L134 T139 V448 M452 | F132-C136 PolarHBondContact O-N 3.1Å; F132-C136 VanDerWaalsContact O-N 3.15Å; F132-C136 PolarHBondContact O-SG 2.94Å; F133-C136 WeakPolarHBondContact O-CB 3.42Å; F133-C136 PolarHBondContact O-N 3.17Å; F133-C136 VanDerWaalsContact O-N 3.1Å; L134-C136 PolarHBondContact O-N 2.99Å; C136-T139 PolarHBondContact O-OG1 3.3Å; C136-T139 VanDerWaalsContact O-OG1 3.11Å; C136-V448 HydrophobicContact CB-CB 4.48Å; C136-V448 HydrophobicContact CB-CG1 3.89Å; C136-M452 HydrophobicContact CB-CE 4.29Å; C136-M452 WeakPolarHBondContact O-CE 3.34Å |
| 137 | Y | 94.5 | Very high | 96.4 | Very high | 11 Ų | 11 | 12.3 Ų | 12.3 | 4% | 0.043 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -85.5 | -34.6 | -176.6 | 80.9 | -101.8 | 0 | 0 | 0 | 112.3 | F133 L134 T139 V140 M452 F461 L464 D465 | F133-Y137 VanDerWaalsContact O-CD1 3.25Å; F133-Y137 WeakPolarHBondContact O-CD1 3.17Å; F133-Y137 PolarHBondContact O-N 3.4Å; L134-Y137 HydrophobicContact CB-CE1 4.25Å; L134-Y137 HydrophobicContact CD1-CE1 3.94Å; L134-Y137 HydrophobicContact CG-CE1 3.86Å; L134-Y137 PolarHBondContact O-N 3.37Å; Y137-T139 VanDerWaalsContact C-N 3.25Å; Y137-T139 PolarHBondContact O-N 2.94Å; Y137-V140 VanDerWaalsContact O-CB 3.24Å; Y137-V140 WeakPolarHBondContact O-CB 3.44Å; Y137-V140 WeakPolarHBondContact O-CG2 3.34Å; Y137-V140 PolarHBondContact O-N 3.22Å; Y137-M452 VanDerWaalsContact CB-SD 3.56Å; Y137-F461 HydrophobicContact CD2-CD2 4.29Å; Y137-F461 AromaticContact CD2-CE2 3.7Å; Y137-F461 HydrophobicContact CD2-CE2 3.7Å; Y137-F461 HydrophobicContact CD2-CZ 4.09Å; Y137-F461 HydrophobicContact CG-CE2 4.49Å; Y137-F461 WeakPolarHBondContact O-CE2 3.02Å; Y137-L464 HydrophobicContact CD1-CB 4.29Å; Y137-L464 HydrophobicContact CG-CB 4.48Å; Y137-D465 HydrophobicContact CD2-CB 4Å; Y137-D465 HydrophobicContact CE2-CB 3.72Å; Y137-D465 WeakPolarHBondContact CE2-OD1 3.46Å; Y137-D465 PolarHBondContact OH-OD1 3.2Å |
| 138 | Y | 95.4 | Very high | 96.5 | Very high | 36 Ų | 36 | 12.3 Ų | 12.3 | 14% | 0.141 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -65.6 | -30 | -177.2 | -164.9 | -91.8 | 0 | 0 | 0 | 112 | L62 L134 V140 I141 L142 S408 M409 | L62-Y138 HydrophobicContact CB-CE2 4.49Å; L62-Y138 HydrophobicContact CD1-CE2 4.28Å; L62-Y138 WeakPolarHBondContact CG-OH 3.08Å; L62-Y138 PolarHBondContact N-OH 3.2Å; L134-Y138 WeakPolarHBondContact O-CB 3.31Å; L134-Y138 PolarHBondContact O-N 2.78Å; Y138-V140 PolarHBondContact O-N 2.94Å; Y138-I141 HydrophobicContact CD2-CD1 4Å; Y138-I141 HydrophobicContact CE2-CD1 4.37Å; Y138-I141 HydrophobicContact CG-CD1 4.48Å; Y138-I141 VanDerWaalsContact O-CB 3.28Å; Y138-I141 WeakPolarHBondContact O-CB 3.26Å; Y138-I141 PolarHBondContact O-N 3.33Å; Y138-I141 VanDerWaalsContact O-N 3.12Å; Y138-L142 HydrophobicContact CD1-CD1 4Å; Y138-L142 HydrophobicContact CE1-CD1 4.07Å; Y138-L142 WeakPolarHBondContact O-CD1 3.5Å; Y138-S408 PolarHBondContact OH-OG 2.83Å; Y138-M409 HydrophobicContact CD1-CG 3.92Å; Y138-M409 HydrophobicContact CD1-SD 3.67Å; Y138-M409 HydrophobicContact CE1-CG 4.47Å; Y138-M409 HydrophobicContact CG-SD 4.29Å |
| 139 | T | 97 | Very high | 96.5 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -63.2 | -26.8 | 172.4 | 21.6 | 0 | 0 | 0 | 0 | 114 | N135 C136 Y137 I141 L142 T143 T233 W234 I237 M409 | N135-T139 PolarHBondContact O-OG1 3.45Å; C136-T139 PolarHBondContact O-OG1 3.3Å; C136-T139 VanDerWaalsContact O-OG1 3.11Å; Y137-T139 VanDerWaalsContact C-N 3.25Å; Y137-T139 PolarHBondContact O-N 2.94Å; T139-I141 PolarHBondContact O-N 2.95Å; T139-L142 PolarHBondContact O-N 3.46Å; T139-T143 PolarHBondContact O-N 3.22Å; T139-T143 PolarHBondContact O-OG1 3.32Å; T139-T233 HydrophobicContact CG2-CG2 3.91Å; T139-W234 HydrophobicContact CG2-CD2 4.23Å; T139-W234 HydrophobicContact CG2-CH2 4.07Å; T139-W234 HydrophobicContact CG2-CZ2 3.61Å; T139-W234 WeakPolarHBondContact OG1-CZ2 3.49Å; T139-I237 HydrophobicContact CG2-CD1 3.35Å; T139-M409 HydrophobicContact CG2-CE 3.44Å; T139-M409 VanDerWaalsContact CG2-CE 3.44Å; T139-M409 HydrophobicContact CG2-CG 4.03Å; T139-M409 HydrophobicContact CG2-SD 3.74Å |
| 140 | V | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -66 | -29.7 | 176.5 | -173.7 | 0 | 0 | 0 | 0 | 110.5 | Y137 Y138 T143 W144 M452 V453 F461 | Y137-V140 VanDerWaalsContact O-CB 3.24Å; Y137-V140 WeakPolarHBondContact O-CB 3.44Å; Y137-V140 WeakPolarHBondContact O-CG2 3.34Å; Y137-V140 PolarHBondContact O-N 3.22Å; Y138-V140 PolarHBondContact O-N 2.94Å; V140-T143 WeakPolarHBondContact O-CB 3.34Å; V140-T143 PolarHBondContact O-N 2.64Å; V140-W144 HydrophobicContact CG1-CD2 4.23Å; V140-W144 HydrophobicContact CG1-CH2 4.02Å; V140-W144 HydrophobicContact CG1-CZ2 3.5Å; V140-W144 VanDerWaalsContact CG1-CZ2 3.5Å; V140-W144 PolarHBondContact O-N 2.73Å; V140-M452 HydrophobicContact CG1-CB 4.22Å; V140-M452 HydrophobicContact CG2-CB 3.67Å; V140-M452 HydrophobicContact CG2-CE 3.78Å; V140-M452 HydrophobicContact CG2-CG 4.42Å; V140-M452 HydrophobicContact CG2-SD 3.95Å; V140-V453 HydrophobicContact CG1-CG1 4.17Å; V140-F461 HydrophobicContact CB-CD2 4.07Å; V140-F461 HydrophobicContact CB-CE2 4.35Å; V140-F461 HydrophobicContact CG1-CD2 4.29Å |
| 141 | I | 97.6 | Very high | 96.7 | Very high | 6 Ų | 6 | 16.4 Ų | 16.4 | 3% | 0.031 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -67.2 | -45 | 176.2 | -55.6 | 179.3 | 0 | 0 | 0 | 111.3 | L62 W66 Y138 T139 T143 W144 A145 F377 F461 | L62-I141 HydrophobicContact CD1-CB 4.32Å; L62-I141 HydrophobicContact CD1-CD1 4.46Å; L62-I141 HydrophobicContact CD1-CG2 3.39Å; W66-I141 HydrophobicContact CH2-CD1 4.09Å; W66-I141 HydrophobicContact CH2-CG2 3.36Å; W66-I141 HydrophobicContact CZ2-CD1 3.86Å; W66-I141 HydrophobicContact CZ2-CG2 4.09Å; W66-I141 HydrophobicContact CZ3-CG2 4.22Å; Y138-I141 HydrophobicContact CD2-CD1 4Å; Y138-I141 HydrophobicContact CE2-CD1 4.37Å; Y138-I141 HydrophobicContact CG-CD1 4.48Å; Y138-I141 VanDerWaalsContact O-CB 3.28Å; Y138-I141 WeakPolarHBondContact O-CB 3.26Å; Y138-I141 PolarHBondContact O-N 3.33Å; Y138-I141 VanDerWaalsContact O-N 3.12Å; T139-I141 PolarHBondContact O-N 2.95Å; I141-T143 PolarHBondContact O-N 3.49Å; I141-W144 HydrophobicContact CB-CE3 4.5Å; I141-W144 HydrophobicContact CG1-CE3 4.39Å; I141-W144 HydrophobicContact CG1-CZ3 4.17Å; I141-W144 PolarHBondContact O-N 3.34Å; I141-A145 PolarHBondContact O-N 2.84Å; I141-F377 HydrophobicContact CG2-CE2 4.19Å; I141-F377 HydrophobicContact CG2-CZ 4.11Å; I141-F461 HydrophobicContact CD1-CE2 4.12Å; I141-F461 HydrophobicContact CD1-CZ 3.86Å; I141-F461 HydrophobicContact CG1-CE2 3.67Å; I141-F461 HydrophobicContact CG1-CZ 3.77Å |
| 142 | L | 98 | Very high | 96.8 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -62.2 | -37.2 | 173.9 | -76.9 | 70 | 0 | 0 | 0 | 110.5 | Y138 T139 W144 A145 F146 T233 I406 M409 | Y138-L142 HydrophobicContact CD1-CD1 4Å; Y138-L142 HydrophobicContact CE1-CD1 4.07Å; Y138-L142 WeakPolarHBondContact O-CD1 3.5Å; T139-L142 PolarHBondContact O-N 3.46Å; L142-W144 PolarHBondContact O-N 3.01Å; L142-A145 PolarHBondContact O-N 2.87Å; L142-A145 VanDerWaalsContact O-N 3.15Å; L142-F146 HydrophobicContact CB-CE2 4.49Å; L142-F146 WeakPolarHBondContact O-CD2 3.22Å; L142-F146 PolarHBondContact O-N 3.24Å; L142-T233 HydrophobicContact CB-CG2 3.62Å; L142-T233 HydrophobicContact CD2-CG2 3.69Å; L142-T233 HydrophobicContact CG-CG2 4.34Å; L142-I406 HydrophobicContact CD2-CG1 3.73Å; L142-M409 HydrophobicContact CD1-CG 4.15Å; L142-M409 HydrophobicContact CD2-CG 4.06Å |
| 143 | T | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -57.7 | -48.7 | 176.4 | -60.4 | 0 | 0 | 0 | 0 | 111.3 | T139 V140 I141 A145 F146 H147 L226 C229 L230 V453 | T139-T143 PolarHBondContact O-N 3.22Å; T139-T143 PolarHBondContact O-OG1 3.32Å; V140-T143 WeakPolarHBondContact O-CB 3.34Å; V140-T143 PolarHBondContact O-N 2.64Å; I141-T143 PolarHBondContact O-N 3.49Å; T143-A145 VanDerWaalsContact C-N 3.35Å; T143-F146 PolarHBondContact O-N 2.99Å; T143-H147 PolarHBondContact O-N 3.42Å; T143-H147 VanDerWaalsContact O-N 3.08Å; T143-L226 HydrophobicContact CG2-CB 4.25Å; T143-L226 HydrophobicContact CG2-CD2 4.28Å; T143-L226 WeakPolarHBondContact CG2-O 3.27Å; T143-C229 HydrophobicContact CG2-CB 3.67Å; T143-L230 HydrophobicContact CG2-CB 3.87Å; T143-L230 VanDerWaalsContact OG1-CA 3.29Å; T143-L230 WeakPolarHBondContact OG1-CA 3.36Å; T143-L230 WeakPolarHBondContact OG1-CD1 3.27Å; T143-V453 HydrophobicContact CG2-CG1 4.25Å |
| 144 | W | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -63 | -41.3 | 174 | -59.8 | -38.3 | 0 | 0 | 0 | 111.8 | V140 I141 L142 F146 H147 Y148 W205 L210 P373 F377 M458 F461 | V140-W144 HydrophobicContact CG1-CD2 4.23Å; V140-W144 HydrophobicContact CG1-CH2 4.02Å; V140-W144 HydrophobicContact CG1-CZ2 3.5Å; V140-W144 VanDerWaalsContact CG1-CZ2 3.5Å; V140-W144 PolarHBondContact O-N 2.73Å; I141-W144 HydrophobicContact CB-CE3 4.5Å; I141-W144 HydrophobicContact CG1-CE3 4.39Å; I141-W144 HydrophobicContact CG1-CZ3 4.17Å; I141-W144 PolarHBondContact O-N 3.34Å; L142-W144 PolarHBondContact O-N 3.01Å; W144-F146 PolarHBondContact O-N 2.91Å; W144-H147 WeakPolarHBondContact O-CB 3.31Å; W144-H147 PolarHBondContact O-N 3.2Å; W144-Y148 WeakPolarHBondContact O-CD2 3.48Å; W144-Y148 PolarHBondContact O-N 3.17Å; W144-W205 HydrophobicContact CB-CH2 4.34Å; W144-W205 HydrophobicContact CB-CZ3 4.11Å; W144-W205 AromaticContact CD2-CH2 3.54Å; W144-W205 HydrophobicContact CD2-CH2 3.54Å; W144-W205 HydrophobicContact CD2-CZ3 4.17Å; W144-W205 AromaticContact CE2-CH2 3.88Å; W144-W205 AromaticContact CE3-CH2 3.69Å; W144-W205 HydrophobicContact CE3-CH2 3.69Å; W144-W205 AromaticContact CG-CH2 3.84Å; W144-W205 HydrophobicContact CG-CH2 3.84Å; W144-W205 AromaticContact CG-CZ3 3.96Å; W144-W205 HydrophobicContact CG-CZ3 3.96Å; W144-W205 HydrophobicContact CH2-CH2 4.48Å; W144-W205 HydrophobicContact CZ2-CH2 4.34Å; W144-W205 HydrophobicContact CZ3-CH2 4.17Å; W144-L210 HydrophobicContact CZ2-CD2 4.21Å; W144-P373 HydrophobicContact CZ3-CB 4.17Å; W144-P373 HydrophobicContact CZ3-CG 3.91Å; W144-F377 HydrophobicContact CB-CD1 4.2Å; W144-F377 HydrophobicContact CB-CE1 3.69Å; W144-F377 HydrophobicContact CB-CE2 4.2Å; W144-F377 HydrophobicContact CB-CZ 3.7Å; W144-F377 HydrophobicContact CE3-CD2 4.31Å; W144-F377 AromaticContact CE3-CE2 3.8Å; W144-F377 HydrophobicContact CE3-CE2 3.8Å; W144-F377 HydrophobicContact CE3-CZ 4.31Å; W144-M458 HydrophobicContact CH2-SD 3.7Å; W144-M458 HydrophobicContact CZ2-SD 4Å; W144-F461 HydrophobicContact CH2-CB 4.47Å; W144-F461 AromaticContact CH2-CD1 3.87Å; W144-F461 HydrophobicContact CH2-CD1 3.87Å; W144-F461 AromaticContact CH2-CD2 3.74Å; W144-F461 HydrophobicContact CH2-CD2 3.74Å; W144-F461 HydrophobicContact CH2-CE1 4.03Å; W144-F461 AromaticContact CH2-CE2 3.86Å; W144-F461 HydrophobicContact CH2-CE2 3.86Å; W144-F461 AromaticContact CH2-CG 3.75Å; W144-F461 HydrophobicContact CH2-CG 3.75Å; W144-F461 HydrophobicContact CH2-CZ 4.02Å; W144-F461 HydrophobicContact CZ3-CD2 4.32Å; W144-F461 HydrophobicContact CZ3-CE1 4.2Å; W144-F461 AromaticContact CZ3-CE2 3.96Å; W144-F461 HydrophobicContact CZ3-CE2 3.96Å; W144-F461 AromaticContact CZ3-CZ 3.91Å; W144-F461 HydrophobicContact CZ3-CZ 3.91Å |
| 145 | A | 98.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.6 | -40.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | I141 L142 T143 Y148 I149 F377 F398 I401 I402 | I141-A145 PolarHBondContact O-N 2.84Å; L142-A145 PolarHBondContact O-N 2.87Å; L142-A145 VanDerWaalsContact O-N 3.15Å; T143-A145 VanDerWaalsContact C-N 3.35Å; A145-Y148 PolarHBondContact O-N 2.67Å; A145-I149 WeakPolarHBondContact O-CG1 3.45Å; A145-I149 PolarHBondContact O-N 3.1Å; A145-F377 HydrophobicContact CB-CE1 4.2Å; A145-F377 HydrophobicContact CB-CZ 4.39Å; A145-F398 HydrophobicContact CB-CD1 4.41Å; A145-I401 HydrophobicContact CB-CB 4.43Å; A145-I401 HydrophobicContact CB-CG2 3.61Å; A145-I402 HydrophobicContact CB-CD1 4.06Å; A145-I402 HydrophobicContact CB-CG1 3.52Å |
| 146 | F | 98.5 | Very high | 96.5 | Very high | 15 Ų | 15 | 33.8 Ų | 33.8 | 7% | 0.066 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.2 | -43.9 | 172.7 | -82.1 | -64.6 | 0 | 0 | 0 | 111.9 | L142 T143 W144 Y148 I149 F150 C229 F232 T233 I236 I402 | L142-F146 HydrophobicContact CB-CE2 4.49Å; L142-F146 WeakPolarHBondContact O-CD2 3.22Å; L142-F146 PolarHBondContact O-N 3.24Å; T143-F146 PolarHBondContact O-N 2.99Å; W144-F146 PolarHBondContact O-N 2.91Å; F146-Y148 VanDerWaalsContact C-N 3.3Å; F146-Y148 PolarHBondContact O-N 2.84Å; F146-I149 PolarHBondContact O-N 2.96Å; F146-F150 HydrophobicContact CB-CE2 4Å; F146-F150 HydrophobicContact CB-CZ 4.37Å; F146-F150 HydrophobicContact CD1-CZ 4.05Å; F146-F150 WeakPolarHBondContact O-CD2 3.24Å; F146-F150 VanDerWaalsContact O-CG 3.24Å; F146-F150 WeakPolarHBondContact O-CG 3.37Å; F146-F150 PolarHBondContact O-N 3.15Å; F146-C229 HydrophobicContact CB-CB 4.3Å; F146-F232 AromaticContact CD1-CD1 3.89Å; F146-F232 HydrophobicContact CD1-CD1 3.89Å; F146-F232 AromaticContact CD1-CE1 3.75Å; F146-F232 HydrophobicContact CD1-CE1 3.75Å; F146-F232 HydrophobicContact CD2-CD1 4.38Å; F146-F232 AromaticContact CE1-CD1 3.95Å; F146-F232 HydrophobicContact CE1-CD1 3.95Å; F146-F232 AromaticContact CE1-CE1 3.54Å; F146-F232 HydrophobicContact CE1-CE1 3.54Å; F146-F232 HydrophobicContact CE2-CD1 4.42Å; F146-F232 HydrophobicContact CG-CD1 4.14Å; F146-F232 HydrophobicContact CG-CE1 4.46Å; F146-F232 HydrophobicContact CZ-CD1 4.23Å; F146-F232 HydrophobicContact CZ-CE1 4.06Å; F146-T233 WeakPolarHBondContact CD2-OG1 3.44Å; F146-T233 HydrophobicContact CE2-CG2 4.26Å; F146-T233 WeakPolarHBondContact CE2-OG1 3.36Å; F146-I236 HydrophobicContact CE1-CD1 3.95Å; F146-I236 HydrophobicContact CE2-CD1 4.2Å; F146-I236 HydrophobicContact CZ-CD1 3.43Å; F146-I236 VanDerWaalsContact CZ-CD1 3.43Å; F146-I402 HydrophobicContact CB-CD1 4.4Å; F146-I402 HydrophobicContact CD1-CD1 3.46Å; F146-I402 VanDerWaalsContact CD1-CD1 3.46Å; F146-I402 HydrophobicContact CD2-CD1 4.06Å; F146-I402 HydrophobicContact CE1-CD1 3.53Å; F146-I402 HydrophobicContact CE1-CG2 4.1Å; F146-I402 HydrophobicContact CE2-CD1 4.14Å; F146-I402 HydrophobicContact CE2-CG2 4.15Å; F146-I402 HydrophobicContact CG-CD1 3.72Å; F146-I402 HydrophobicContact CZ-CD1 3.87Å; F146-I402 HydrophobicContact CZ-CG2 3.62Å |
| 147 | H | 98.5 | Very high | 96.7 | Very high | 8 Ų | 8 | 33.8 Ų | 33.8 | 4% | 0.037 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -56.5 | -45.5 | 176.1 | -175.8 | -79.3 | 0 | 0 | 0 | 111.8 | T143 W144 F150 S151 Y204 D225 L226 | T143-H147 PolarHBondContact O-N 3.42Å; T143-H147 VanDerWaalsContact O-N 3.08Å; W144-H147 WeakPolarHBondContact O-CB 3.31Å; W144-H147 PolarHBondContact O-N 3.2Å; H147-F150 PolarHBondContact O-N 2.89Å; H147-S151 WeakPolarHBondContact O-CB 3.34Å; H147-S151 PolarHBondContact O-N 3.46Å; H147-S151 PolarHBondContact O-OG 3Å; H147-Y204 PolarHBondContact CE1-OH 3.09Å; H147-Y204 PolarHBondContact ND1-OH 3.47Å; H147-D225 IonicContact CD2-OD2 2.82Å; H147-D225 IonicContact NE2-OD2 3.21Å; H147-D225 PolarHBondContact NE2-OD2 3.37Å; H147-L226 HydrophobicContact CB-CD2 3.99Å |
| 148 | Y | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.6 | -44.3 | 175.9 | -87.8 | -104 | 0 | 0 | 0 | 112.5 | W144 A145 F146 F150 S151 S152 W159 Y204 W205 V209 F377 P381 F398 | W144-Y148 WeakPolarHBondContact O-CD2 3.48Å; W144-Y148 PolarHBondContact O-N 3.17Å; A145-Y148 PolarHBondContact O-N 2.67Å; F146-Y148 VanDerWaalsContact C-N 3.3Å; F146-Y148 PolarHBondContact O-N 2.84Å; Y148-F150 VanDerWaalsContact C-N 3.33Å; Y148-F150 PolarHBondContact O-N 3.48Å; Y148-S151 CarbonylContact O-C 3.6Å; Y148-S151 WeakPolarHBondContact O-CA 3.4Å; Y148-S151 WeakPolarHBondContact O-CB 3.49Å; Y148-S151 PolarHBondContact O-N 3.22Å; Y148-S151 VanDerWaalsContact O-N 3.08Å; Y148-S152 PolarHBondContact O-N 2.96Å; Y148-S152 PolarHBondContact O-OG 3.37Å; Y148-W159 HydrophobicContact CD1-CD2 4.5Å; Y148-W159 AromaticContact CD1-CE3 3.95Å; Y148-W159 HydrophobicContact CD1-CE3 3.95Å; Y148-W159 AromaticContact CD1-CH2 3.65Å; Y148-W159 HydrophobicContact CD1-CH2 3.65Å; Y148-W159 HydrophobicContact CD1-CZ2 4.2Å; Y148-W159 AromaticContact CD1-CZ3 3.5Å; Y148-W159 HydrophobicContact CD1-CZ3 3.5Å; Y148-W159 HydrophobicContact CE1-CD2 4.29Å; Y148-W159 AromaticContact CE1-CE3 3.94Å; Y148-W159 HydrophobicContact CE1-CE3 3.94Å; Y148-W159 HydrophobicContact CE1-CH2 4.36Å; Y148-W159 AromaticContact CE1-CZ3 3.99Å; Y148-W159 HydrophobicContact CE1-CZ3 3.99Å; Y148-W159 HydrophobicContact CG-CZ3 4.34Å; Y148-Y204 HydrophobicContact CD1-CE1 4.16Å; Y148-Y204 HydrophobicContact CD2-CE1 4.45Å; Y148-Y204 AromaticContact CE1-CD1 3.94Å; Y148-Y204 HydrophobicContact CE1-CD1 3.94Å; Y148-Y204 AromaticContact CE1-CE1 3.69Å; Y148-Y204 HydrophobicContact CE1-CE1 3.69Å; Y148-Y204 HydrophobicContact CE2-CD1 4.49Å; Y148-Y204 AromaticContact CE2-CE1 3.98Å; Y148-Y204 HydrophobicContact CE2-CE1 3.98Å; Y148-Y204 AromaticContact CZ-CD1 3.76Å; Y148-Y204 AromaticContact CZ-CE1 3.59Å; Y148-W205 AromaticContact CE2-CE3 3.82Å; Y148-W205 HydrophobicContact CE2-CE3 3.82Å; Y148-W205 HydrophobicContact CE2-CZ3 4.01Å; Y148-V209 HydrophobicContact CE2-CG1 4.42Å; Y148-V209 HydrophobicContact CE2-CG2 3.84Å; Y148-F377 AromaticContact CD2-CD1 3.77Å; Y148-F377 HydrophobicContact CD2-CD1 3.77Å; Y148-F377 HydrophobicContact CD2-CE1 4.36Å; Y148-F377 HydrophobicContact CE2-CB 4.1Å; Y148-F377 AromaticContact CE2-CD1 3.73Å; Y148-F377 HydrophobicContact CE2-CD1 3.73Å; Y148-F377 HydrophobicContact CE2-CG 4.3Å; Y148-F377 HydrophobicContact CG-CD1 4.31Å; Y148-F377 PolarHBondContact OH-O 3.08Å; Y148-P381 HydrophobicContact CD1-CG 4.32Å; Y148-P381 HydrophobicContact CE1-CB 4.11Å; Y148-P381 HydrophobicContact CE1-CG 3.89Å; Y148-F398 VanDerWaalsContact CB-CE2 3.5Å; Y148-F398 VanDerWaalsContact CB-CZ 3.45Å; Y148-F398 HydrophobicContact CD1-CD2 4.5Å; Y148-F398 AromaticContact CD1-CE1 3.97Å; Y148-F398 HydrophobicContact CD1-CE1 3.97Å; Y148-F398 AromaticContact CD1-CE2 3.46Å; Y148-F398 HydrophobicContact CD1-CE2 3.46Å; Y148-F398 VanDerWaalsContact CD1-CE2 3.46Å; Y148-F398 AromaticContact CD1-CZ 3.11Å; Y148-F398 HydrophobicContact CD1-CZ 3.11Å; Y148-F398 HydrophobicContact CD2-CZ 4.4Å; Y148-F398 HydrophobicContact CE1-CE2 4.47Å; Y148-F398 AromaticContact CE1-CZ 3.88Å; Y148-F398 HydrophobicContact CE1-CZ 3.88Å; Y148-F398 AromaticContact CG-CE1 3.81Å; Y148-F398 HydrophobicContact CG-CE1 3.81Å; Y148-F398 AromaticContact CG-CE2 3.83Å; Y148-F398 HydrophobicContact CG-CE2 3.83Å; Y148-F398 AromaticContact CG-CZ 3.4Å; Y148-F398 HydrophobicContact CG-CZ 3.4Å; Y148-F398 VanDerWaalsContact CG-CZ 3.4Å |
| 149 | I | 97.3 | Very high | 96.8 | Very high | 16 Ų | 16 | 32.6 Ų | 32.6 | 8% | 0.082 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -55.1 | -49.3 | 175.2 | -74.3 | -171.7 | 0 | 0 | 0 | 111.2 | A145 F146 S151 S152 F153 F398 I399 I402 | A145-I149 WeakPolarHBondContact O-CG1 3.45Å; A145-I149 PolarHBondContact O-N 3.1Å; F146-I149 PolarHBondContact O-N 2.96Å; I149-S151 PolarHBondContact O-N 3.47Å; I149-S152 WeakPolarHBondContact O-CB 3.11Å; I149-S152 PolarHBondContact O-N 2.94Å; I149-F153 HydrophobicContact CG2-CD2 4.49Å; I149-F153 HydrophobicContact CG2-CE2 3.68Å; I149-F153 HydrophobicContact CG2-CZ 4.46Å; I149-F153 WeakPolarHBondContact O-CD2 3.31Å; I149-F153 WeakPolarHBondContact O-CE2 3.34Å; I149-F398 HydrophobicContact CD1-CB 3.98Å; I149-F398 HydrophobicContact CG1-CB 3.31Å; I149-F398 HydrophobicContact CG1-CG 4.38Å; I149-I399 HydrophobicContact CD1-CG1 3.79Å; I149-I402 HydrophobicContact CD1-CD1 3.21Å; I149-I402 HydrophobicContact CD1-CG1 4.22Å; I149-I402 HydrophobicContact CG1-CD1 4.04Å |
| 150 | F | 97.8 | Very high | 96.6 | Very high | 106 Ų | 106 | 34.4 Ų | 34.4 | 47% | 0.465 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -61.9 | -34.4 | -179.6 | -61.2 | -34.6 | 0 | 0 | 0 | 111.5 | F146 H147 Y148 S152 F232 | F146-F150 HydrophobicContact CB-CE2 4Å; F146-F150 HydrophobicContact CB-CZ 4.37Å; F146-F150 HydrophobicContact CD1-CZ 4.05Å; F146-F150 WeakPolarHBondContact O-CD2 3.24Å; F146-F150 VanDerWaalsContact O-CG 3.24Å; F146-F150 WeakPolarHBondContact O-CG 3.37Å; F146-F150 PolarHBondContact O-N 3.15Å; H147-F150 PolarHBondContact O-N 2.89Å; Y148-F150 VanDerWaalsContact C-N 3.33Å; Y148-F150 PolarHBondContact O-N 3.48Å; F150-S152 VanDerWaalsContact C-N 3.33Å; F150-F232 HydrophobicContact CZ-CD1 4.02Å; F150-F232 AromaticContact CZ-CE1 3.88Å; F150-F232 HydrophobicContact CZ-CE1 3.88Å |
| 151 | S | 97.3 | Very high | 96.3 | Very high | 25 Ų | 25 | 37.2 Ų | 37.2 | 18% | 0.175 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -77.8 | -15.7 | 177 | -56.2 | 0 | 0 | 0 | 0 | 113.8 | H147 Y148 I149 P158 Y204 | H147-S151 WeakPolarHBondContact O-CB 3.34Å; H147-S151 PolarHBondContact O-N 3.46Å; H147-S151 PolarHBondContact O-OG 3Å; Y148-S151 CarbonylContact O-C 3.6Å; Y148-S151 WeakPolarHBondContact O-CA 3.4Å; Y148-S151 WeakPolarHBondContact O-CB 3.49Å; Y148-S151 PolarHBondContact O-N 3.22Å; Y148-S151 VanDerWaalsContact O-N 3.08Å; I149-S151 PolarHBondContact O-N 3.47Å; S151-P158 VanDerWaalsContact O-CD 3.31Å; S151-P158 WeakPolarHBondContact O-CD 3.4Å; S151-Y204 WeakPolarHBondContact CB-OH 3.13Å; S151-Y204 PolarHBondContact OG-OH 3.18Å |
| 152 | S | 97.6 | Very high | 96.1 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.007 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -12.6 | 176.1 | -54.7 | 0 | 0 | 0 | 0 | 113.8 | Y148 I149 F150 T154 S394 | Y148-S152 PolarHBondContact O-N 2.96Å; Y148-S152 PolarHBondContact O-OG 3.37Å; I149-S152 WeakPolarHBondContact O-CB 3.11Å; I149-S152 PolarHBondContact O-N 2.94Å; F150-S152 VanDerWaalsContact C-N 3.33Å; S152-T154 PolarHBondContact O-N 3.4Å; S152-S394 PolarHBondContact OG-OG 3.49Å |
| 153 | F | 95.7 | Very high | 95.8 | Very high | 145 Ų | 145 | 44.3 Ų | 44.3 | 64% | 0.636 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -79.1 | 56.9 | 177.8 | -71.3 | -78.3 | 0 | 0 | 0 | 112 | I149 I395 | I149-F153 HydrophobicContact CG2-CD2 4.49Å; I149-F153 HydrophobicContact CG2-CE2 3.68Å; I149-F153 HydrophobicContact CG2-CZ 4.46Å; I149-F153 WeakPolarHBondContact O-CD2 3.31Å; I149-F153 WeakPolarHBondContact O-CE2 3.34Å; F153-I395 HydrophobicContact CD1-CD1 4.18Å; F153-I395 HydrophobicContact CE1-CD1 4.02Å; F153-I395 HydrophobicContact CZ-CD1 4.44Å |
| 154 | T | 93.6 | Very high | 95.5 | Very high | 61 Ų | 61 | 47.4 Ų | 47.4 | 37% | 0.374 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -137.1 | 163.4 | -179.5 | 60.1 | 0 | 0 | 0 | 0 | 110.3 | S152 E156 P391 | S152-T154 PolarHBondContact O-N 3.4Å; T154-E156 VanDerWaalsContact C-N 3.34Å; T154-E156 WeakPolarHBondContact CB-O 3.36Å; T154-E156 VanDerWaalsContact OG1-C 3.31Å; T154-E156 PolarHBondContact OG1-O 3.06Å; T154-P391 WeakPolarHBondContact O-CG 3.28Å |
| 155 | N | 91.7 | Very high | 95.3 | Very high | 163 Ų | 163 | 53.2 Ų | 53.2 | 87% | 0.872 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -70.3 | -34.5 | 173.9 | -69.8 | -26.7 | 0 | 0 | 0 | 112.1 | ||
| 156 | E | 92.4 | Very high | 95.2 | Very high | 116 Ų | 116 | 55.6 Ų | 55.6 | 54% | 0.542 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -132.1 | 135.4 | 176.7 | -66.8 | 178.8 | 157.3 | 0 | 0 | 108.1 | T154 K161 | T154-E156 VanDerWaalsContact C-N 3.34Å; T154-E156 WeakPolarHBondContact CB-O 3.36Å; T154-E156 VanDerWaalsContact OG1-C 3.31Å; T154-E156 PolarHBondContact OG1-O 3.06Å; E156-K161 WeakPolarHBondContact OE2-CE 3.49Å; E156-K161 IonicContact OE2-NZ 2.73Å; E156-K161 PolarHBondContact OE2-NZ 3.14Å |
| 157 | L | 96.2 | Very high | 95 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.294 | C | S | . | . | trans | -68.4 | 139 | -174.9 | -67 | 171.6 | 0 | 0 | 0 | 110.8 | W159 T160 I384 P391 | L157-W159 HydrophobicContact CB-CD2 4.16Å; L157-W159 HydrophobicContact CB-CZ2 4.03Å; L157-W159 HydrophobicContact CD1-CZ2 3.69Å; L157-W159 HydrophobicContact CD2-CH2 3.81Å; L157-W159 HydrophobicContact CD2-CZ2 3.58Å; L157-W159 HydrophobicContact CG-CZ2 3.96Å; L157-W159 PolarHBondContact O-N 2.94Å; L157-T160 HydrophobicContact CB-CG2 3.96Å; L157-T160 PolarHBondContact O-N 3.3Å; L157-T160 VanDerWaalsContact O-N 3.09Å; L157-T160 PolarHBondContact O-OG1 3.35Å; L157-I384 HydrophobicContact CD1-CG2 4.38Å; L157-P391 HydrophobicContact CD2-CB 4.34Å; L157-P391 HydrophobicContact CD2-CG 4.37Å; L157-P391 HydrophobicContact CG-CG 4.32Å | ||
| 158 | P | 96 | Very high | 94.7 | Very high | 23 Ų | 23 | 57.9 Ų | 57.9 | 15% | 0.149 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -65.6 | -24.3 | -174.4 | 21.9 | -29.6 | 0 | 0 | 0 | 113.6 | S151 T160 W166 Y204 | S151-P158 VanDerWaalsContact O-CD 3.31Å; S151-P158 WeakPolarHBondContact O-CD 3.4Å; P158-T160 VanDerWaalsContact C-N 3.32Å; P158-T160 PolarHBondContact O-N 2.86Å; P158-W166 HydrophobicContact CB-CH2 4.32Å; P158-W166 HydrophobicContact CB-CZ2 4.28Å; P158-Y204 HydrophobicContact CB-CD2 4.22Å; P158-Y204 HydrophobicContact CB-CE2 3.84Å; P158-Y204 HydrophobicContact CG-CD2 4.44Å; P158-Y204 HydrophobicContact CG-CE2 3.75Å |
| 159 | W | 95.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 34% | 0.338 | C | S | . | . | G | 310 helix | trans | -84.9 | 4.7 | 176.9 | 53.9 | 86 | 0 | 0 | 0 | 114.8 | Y148 L157 S200 T201 Y204 P381 S394 F398 | Y148-W159 HydrophobicContact CD1-CD2 4.5Å; Y148-W159 AromaticContact CD1-CE3 3.95Å; Y148-W159 HydrophobicContact CD1-CE3 3.95Å; Y148-W159 AromaticContact CD1-CH2 3.65Å; Y148-W159 HydrophobicContact CD1-CH2 3.65Å; Y148-W159 HydrophobicContact CD1-CZ2 4.2Å; Y148-W159 AromaticContact CD1-CZ3 3.5Å; Y148-W159 HydrophobicContact CD1-CZ3 3.5Å; Y148-W159 HydrophobicContact CE1-CD2 4.29Å; Y148-W159 AromaticContact CE1-CE3 3.94Å; Y148-W159 HydrophobicContact CE1-CE3 3.94Å; Y148-W159 HydrophobicContact CE1-CH2 4.36Å; Y148-W159 AromaticContact CE1-CZ3 3.99Å; Y148-W159 HydrophobicContact CE1-CZ3 3.99Å; Y148-W159 HydrophobicContact CG-CZ3 4.34Å; L157-W159 HydrophobicContact CB-CD2 4.16Å; L157-W159 HydrophobicContact CB-CZ2 4.03Å; L157-W159 HydrophobicContact CD1-CZ2 3.69Å; L157-W159 HydrophobicContact CD2-CH2 3.81Å; L157-W159 HydrophobicContact CD2-CZ2 3.58Å; L157-W159 HydrophobicContact CG-CZ2 3.96Å; L157-W159 PolarHBondContact O-N 2.94Å; W159-S200 CarbonylContact O-C 3.45Å; W159-S200 WeakPolarHBondContact O-CB 3.43Å; W159-S200 PolarHBondContact O-OG 2.94Å; W159-T201 HydrophobicContact CB-CG2 4.07Å; W159-T201 HydrophobicContact CG-CG2 4.21Å; W159-T201 PolarHBondContact O-N 3.15Å; W159-T201 PolarHBondContact O-OG1 2.71Å; W159-T201 VanDerWaalsContact O-OG1 3.1Å; W159-Y204 HydrophobicContact CB-CD1 3.94Å; W159-Y204 HydrophobicContact CB-CD2 4.35Å; W159-Y204 HydrophobicContact CB-CG 3.71Å; W159-Y204 HydrophobicContact CD2-CD1 4.41Å; W159-Y204 HydrophobicContact CD2-CE1 4.49Å; W159-Y204 AromaticContact CE3-CD1 3.78Å; W159-Y204 HydrophobicContact CE3-CD1 3.78Å; W159-Y204 AromaticContact CE3-CE1 3.48Å; W159-Y204 HydrophobicContact CE3-CE1 3.48Å; W159-Y204 VanDerWaalsContact CE3-CE1 3.48Å; W159-Y204 HydrophobicContact CE3-CE2 4.31Å; W159-Y204 HydrophobicContact CE3-CG 4.31Å; W159-Y204 AromaticContact CE3-CZ 3.79Å; W159-Y204 AromaticContact CZ3-CE1 3.97Å; W159-Y204 HydrophobicContact CZ3-CE1 3.97Å; W159-P381 HydrophobicContact CD2-CB 4.38Å; W159-P381 HydrophobicContact CG-CB 4.42Å; W159-P381 HydrophobicContact CZ2-CB 4.29Å; W159-P381 PolarHBondContact NE1-O 3.15Å; W159-P381 VanDerWaalsContact NE1-O 3.13Å; W159-S394 WeakPolarHBondContact CZ2-OG 3.39Å; W159-F398 HydrophobicContact CH2-CE2 4.19Å; W159-F398 HydrophobicContact CZ2-CE2 4.26Å |
| 160 | T | 93.8 | Very high | 93.7 | Very high | 37 Ų | 37 | 62.4 Ų | 62.4 | 23% | 0.227 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -100.4 | 11 | 175.5 | 64.7 | 0 | 0 | 0 | 0 | 113.2 | L157 P158 V173 | L157-T160 HydrophobicContact CB-CG2 3.96Å; L157-T160 PolarHBondContact O-N 3.3Å; L157-T160 VanDerWaalsContact O-N 3.09Å; L157-T160 PolarHBondContact O-OG1 3.35Å; P158-T160 VanDerWaalsContact C-N 3.32Å; P158-T160 PolarHBondContact O-N 2.86Å; T160-V173 WeakPolarHBondContact O-CG1 3.46Å |
| 161 | K | 92.1 | Very high | 93.4 | Very high | 59 Ų | 59 | 58 Ų | 58 | 26% | 0.257 | 32% | 0.32 | S | S | . | . | trans | -135.9 | 162.6 | -177.3 | -54.9 | -175.7 | -178.3 | -172.7 | 0 | 112.6 | E156 D163 S200 | E156-K161 WeakPolarHBondContact OE2-CE 3.49Å; E156-K161 IonicContact OE2-NZ 2.73Å; E156-K161 PolarHBondContact OE2-NZ 3.14Å; K161-D163 WeakPolarHBondContact CB-OD1 3.28Å; K161-D163 WeakPolarHBondContact CD-OD1 3.28Å; K161-S200 WeakPolarHBondContact O-CB 3.42Å | ||
| 162 | C | 93 | Very high | 93 | Very high | 38 Ų | 38 | 63 Ų | 63 | 26% | 0.257 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -121.1 | 11.5 | 176.9 | -72.6 | 0 | 0 | 0 | 0 | 113.5 | Q164 N167 C171 R172 V173 | C162-Q164 VanDerWaalsContact C-N 3.34Å; C162-N167 WeakPolarHBondContact CA-OD1 3.47Å; C162-N167 WeakPolarHBondContact O-CB 3.47Å; C162-N167 PolarHBondContact O-OD1 3.1Å; C162-C171 VanDerWaalsContact CA-SG 3.5Å; C162-C171 HydrophobicContact CB-CB 3.62Å; C162-C171 WeakPolarHBondContact CB-SG 3.44Å; C162-C171 WeakPolarHBondContact SG-CB 3.18Å; C162-C171 CovalentContact SG-SG 2.04Å; C162-C171 PolarHBondContact SG-SG 2.87Å; C162-R172 PolarHBondContact SG-N 3.1Å; C162-V173 HydrophobicContact CB-CG2 4.05Å; C162-V173 PolarHBondContact SG-N 3.35Å; C162-V173 VanDerWaalsContact SG-N 3.41Å |
| 163 | D | 90.7 | Very high | 92.3 | Very high | 117 Ų | 117 | 66 Ų | 66 | 63% | 0.626 | 35% | 0.353 | S | S | * | . | trans | -94.8 | 17.9 | -175.8 | 64.7 | -20.2 | 0 | 0 | 0 | 113.2 | K161 | K161-D163 WeakPolarHBondContact CB-OD1 3.28Å; K161-D163 WeakPolarHBondContact CD-OD1 3.28Å | ||
| 164 | Q | 93.3 | Very high | 91.1 | Very high | 66 Ų | 66 | 61.6 Ų | 61.6 | 31% | 0.308 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -102.1 | 160.6 | -171.7 | -53 | -66.5 | -34.8 | 0 | 0 | 112.4 | C162 W166 N167 | C162-Q164 VanDerWaalsContact C-N 3.34Å; Q164-W166 HydrophobicContact CB-CD2 3.7Å; Q164-W166 HydrophobicContact CB-CE3 3.77Å; Q164-W166 HydrophobicContact CB-CH2 3.54Å; Q164-W166 HydrophobicContact CB-CZ2 3.46Å; Q164-W166 VanDerWaalsContact CB-CZ2 3.46Å; Q164-W166 HydrophobicContact CB-CZ3 3.69Å; Q164-W166 HydrophobicContact CG-CH2 3.55Å; Q164-W166 HydrophobicContact CG-CZ2 3.46Å; Q164-W166 VanDerWaalsContact CG-CZ2 3.46Å; Q164-W166 HydrophobicContact CG-CZ3 4.18Å; Q164-W166 PolarHBondContact O-N 3.24Å; Q164-N167 WeakPolarHBondContact CB-OD1 3.44Å; Q164-N167 PolarHBondContact N-OD1 2.92Å; Q164-N167 WeakPolarHBondContact O-CB 3.37Å; Q164-N167 PolarHBondContact O-N 3.26Å |
| 165 | S | 94.6 | Very high | 89.6 | Confident | 122 Ų | 122 | 63.6 Ų | 63.6 | 85% | 0.853 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -24.2 | -176.8 | 57.3 | 0 | 0 | 0 | 0 | 115.2 | ||
| 166 | W | 94.6 | Very high | 87.6 | Confident | 50 Ų | 50 | 60.2 Ų | 60.2 | 19% | 0.189 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -7.6 | 177.6 | 61.1 | 84.9 | 0 | 0 | 0 | 113.2 | P158 Q164 Y204 R208 | P158-W166 HydrophobicContact CB-CH2 4.32Å; P158-W166 HydrophobicContact CB-CZ2 4.28Å; Q164-W166 HydrophobicContact CB-CD2 3.7Å; Q164-W166 HydrophobicContact CB-CE3 3.77Å; Q164-W166 HydrophobicContact CB-CH2 3.54Å; Q164-W166 HydrophobicContact CB-CZ2 3.46Å; Q164-W166 VanDerWaalsContact CB-CZ2 3.46Å; Q164-W166 HydrophobicContact CB-CZ3 3.69Å; Q164-W166 HydrophobicContact CG-CH2 3.55Å; Q164-W166 HydrophobicContact CG-CZ2 3.46Å; Q164-W166 VanDerWaalsContact CG-CZ2 3.46Å; Q164-W166 HydrophobicContact CG-CZ3 4.18Å; Q164-W166 PolarHBondContact O-N 3.24Å; W166-Y204 AromaticContact CZ2-CD2 3.78Å; W166-Y204 HydrophobicContact CZ2-CD2 3.78Å; W166-Y204 HydrophobicContact CZ2-CE2 4.21Å; W166-R208 HydrophobicContact CB-CB 4.18Å; W166-R208 HydrophobicContact CD2-CB 3.66Å; W166-R208 HydrophobicContact CD2-CG 3.93Å; W166-R208 HydrophobicContact CE3-CB 4.22Å; W166-R208 HydrophobicContact CE3-CG 4Å; W166-R208 HydrophobicContact CG-CB 3.62Å; W166-R208 HydrophobicContact CG-CG 4.39Å; W166-R208 HydrophobicContact CH2-CG 4.49Å; W166-R208 HydrophobicContact CZ2-CG 4.43Å; W166-R208 HydrophobicContact CZ3-CG 4.29Å |
| 167 | N | 95.2 | Very high | 85.3 | Confident | 24 Ų | 24 | 65 Ų | 65 | 13% | 0.128 | 35% | 0.348 | C | S | . | . | trans | -77 | 140.6 | -175.9 | -71 | 128.8 | 0 | 0 | 0 | 111.8 | C162 Q164 C171 E203 | C162-N167 WeakPolarHBondContact CA-OD1 3.47Å; C162-N167 WeakPolarHBondContact O-CB 3.47Å; C162-N167 PolarHBondContact O-OD1 3.1Å; Q164-N167 WeakPolarHBondContact CB-OD1 3.44Å; Q164-N167 PolarHBondContact N-OD1 2.92Å; Q164-N167 WeakPolarHBondContact O-CB 3.37Å; Q164-N167 PolarHBondContact O-N 3.26Å; N167-C171 HydrophobicContact CB-CB 4.14Å; N167-C171 PolarHBondContact ND2-SG 3.41Å; N167-E203 WeakPolarHBondContact CA-OE2 3.31Å; N167-E203 WeakPolarHBondContact CB-OE2 3.46Å; N167-E203 PolarHBondContact ND2-OE2 2.92Å | ||
| 168 | T | 92.3 | Very high | 82.6 | Confident | 47 Ų | 47 | 69.6 Ų | 69.6 | 29% | 0.288 | 38% | 0.38 | S | S | . | . | trans | -87.7 | 163.1 | 174.8 | 81 | 0 | 0 | 0 | 0 | 110.8 | A170 C171 E203 Y207 | T168-A170 PolarHBondContact O-N 2.96Å; T168-A170 VanDerWaalsContact O-N 3.07Å; T168-A170 WeakPolarHBondContact OG1-CB 3.14Å; T168-A170 PolarHBondContact OG1-N 3.49Å; T168-A170 VanDerWaalsContact OG1-N 3.17Å; T168-C171 VanDerWaalsContact O-CB 3.24Å; T168-C171 WeakPolarHBondContact O-CB 3.36Å; T168-C171 PolarHBondContact O-N 3.29Å; T168-E203 WeakPolarHBondContact CB-OE1 3.33Å; T168-E203 PolarHBondContact N-OE2 3.49Å; T168-E203 PolarHBondContact OG1-OE1 2.94Å; T168-Y207 HydrophobicContact CG2-CD2 3.93Å; T168-Y207 HydrophobicContact CG2-CE2 3.52Å | ||
| 169 | P | 88.1 | Confident | 80.1 | Confident | 103 Ų | 103 | 75.2 Ų | 75.2 | 67% | 0.669 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -17.7 | 171.2 | -24.7 | 35.4 | 0 | 0 | 0 | 114.2 | C171 | P169-C171 VanDerWaalsContact C-N 3.33Š|
| 170 | A | 86.7 | Confident | 77.4 | Confident | 7 Ų | 7 | 82.3 Ų | 82.3 | 6% | 0.058 | 45% | 0.445 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -4.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | T168 R172 F195 I196 T197 V198 | T168-A170 PolarHBondContact O-N 2.96Å; T168-A170 VanDerWaalsContact O-N 3.07Å; T168-A170 WeakPolarHBondContact OG1-CB 3.14Å; T168-A170 PolarHBondContact OG1-N 3.49Å; T168-A170 VanDerWaalsContact OG1-N 3.17Å; A170-R172 PolarHBondContact O-N 3.43Å; A170-F195 HydrophobicContact CB-CB 3.99Å; A170-I196 WeakPolarHBondContact CB-O 3.17Å; A170-T197 WeakPolarHBondContact O-CA 3.4Å; A170-V198 PolarHBondContact O-N 2.95Å; A170-V198 VanDerWaalsContact O-N 3.11Å |
| 171 | C | 91.5 | Very high | 74.7 | Confident | 14 Ų | 14 | 84.5 Ų | 84.5 | 10% | 0.095 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 132.9 | -178.1 | -170.9 | 0 | 0 | 0 | 0 | 111.7 | C162 N167 T168 P169 V198 E203 | C162-C171 VanDerWaalsContact CA-SG 3.5Å; C162-C171 HydrophobicContact CB-CB 3.62Å; C162-C171 WeakPolarHBondContact CB-SG 3.44Å; C162-C171 WeakPolarHBondContact SG-CB 3.18Å; C162-C171 CovalentContact SG-SG 2.04Å; C162-C171 PolarHBondContact SG-SG 2.87Å; N167-C171 HydrophobicContact CB-CB 4.14Å; N167-C171 PolarHBondContact ND2-SG 3.41Å; T168-C171 VanDerWaalsContact O-CB 3.24Å; T168-C171 WeakPolarHBondContact O-CB 3.36Å; T168-C171 PolarHBondContact O-N 3.29Å; P169-C171 VanDerWaalsContact C-N 3.33Å; C171-V198 CarbonylContact C-O 3.54Å; C171-V198 WeakPolarHBondContact CA-O 3.33Å; C171-E203 VanDerWaalsContact CB-OE2 3.26Å; C171-E203 WeakPolarHBondContact CB-OE2 3.42Å; C171-E203 PolarHBondContact N-OE1 2.91Å; C171-E203 PolarHBondContact SG-OE2 3.13Å |
| 172 | R | 87.6 | Confident | 72.3 | Confident | 130 Ų | 130 | 87.8 Ų | 87.8 | 49% | 0.491 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 128.4 | 171.9 | -68.1 | -66.4 | -120.5 | -93.3 | -6.3 | 111.2 | C162 A170 T197 V198 D199 S200 | C162-R172 PolarHBondContact SG-N 3.1Å; A170-R172 PolarHBondContact O-N 3.43Å; R172-T197 HydrophobicContact CG-CG2 3.97Å; R172-V198 PolarHBondContact N-O 3.44Å; R172-D199 WeakPolarHBondContact O-CA 3.26Å; R172-S200 PolarHBondContact O-N 3.34Å |
| 173 | V | 84.2 | Confident | 69.7 | Low | 64 Ų | 64 | 91 Ų | 91 | 39% | 0.388 | 51% | 0.511 | S | S | . | . | trans | -70 | 139.9 | 168.5 | -179.7 | 0 | 0 | 0 | 0 | 108.3 | T160 C162 T175 | T160-V173 WeakPolarHBondContact O-CG1 3.46Å; C162-V173 HydrophobicContact CB-CG2 4.05Å; C162-V173 PolarHBondContact SG-N 3.35Å; C162-V173 VanDerWaalsContact SG-N 3.41Å; V173-T175 PolarHBondContact O-N 3.15Å; V173-T175 VanDerWaalsContact O-N 3.13Å | ||
| 174 | F | 69.6 | Low | 67.3 | Low | 52 Ų | 52 | 91.2 Ų | 91.2 | 23% | 0.228 | 52% | 0.517 | C | S | . | . | trans | -64.2 | 112.4 | 173.4 | -174.3 | -92.7 | 0 | 0 | 0 | 110.7 | M357 I360 S361 T386 | F174-M357 HydrophobicContact CD2-CE 3.79Å; F174-M357 HydrophobicContact CE2-CE 3.38Å; F174-M357 HydrophobicContact CE2-SD 4.38Å; F174-M357 HydrophobicContact CZ-CE 3.81Å; F174-M357 HydrophobicContact CZ-SD 4.23Å; F174-I360 HydrophobicContact CE1-CD1 3.64Å; F174-I360 HydrophobicContact CE1-CG1 4.15Å; F174-I360 HydrophobicContact CZ-CD1 3.81Å; F174-I360 HydrophobicContact CZ-CG1 3.84Å; F174-S361 WeakPolarHBondContact CE2-OG 3.17Å; F174-S361 WeakPolarHBondContact CZ-OG 3.41Å; F174-T386 HydrophobicContact CD1-CG2 3.38Å; F174-T386 HydrophobicContact CE1-CG2 3.51Å; F174-T386 HydrophobicContact CG-CG2 4.31Å | ||
| 175 | T | 61.8 | Low | 65 | Low | 103 Ų | 103 | 95.6 Ų | 95.6 | 63% | 0.632 | 54% | 0.537 | S | S | * | . | trans | -115.1 | 127.4 | 173.8 | 53.7 | 0 | 0 | 0 | 0 | 110.9 | V173 R177 | V173-T175 PolarHBondContact O-N 3.15Å; V173-T175 VanDerWaalsContact O-N 3.13Å; T175-R177 PolarHBondContact O-N 3Å; T175-R177 VanDerWaalsContact O-N 3.14Å | ||
| 176 | S | 50.8 | Low | 63 | Low | 93 Ų | 93 | 95.5 Ų | 95.5 | 65% | 0.65 | 53% | 0.527 | S | S | * | . | trans | -68.9 | -1.1 | 177.1 | 56.3 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 177 | R | 44.2 | Very low | 60.6 | Low | 217 Ų | 217 | 95.1 Ų | 95.1 | 82% | 0.819 | 53% | 0.53 | S | S | * | . | trans | -78.5 | 126.9 | -178 | -87 | -175.8 | -170.3 | 158.7 | 5.1 | 111.1 | T175 I179 | T175-R177 PolarHBondContact O-N 3Å; T175-R177 VanDerWaalsContact O-N 3.14Å; R177-I179 PolarHBondContact O-N 2.71Å | ||
| 178 | S | 40.1 | Very low | 58.4 | Low | 96 Ų | 96 | 96 Ų | 96 | 67% | 0.671 | 54% | 0.535 | S | S | * | . | trans | -54.9 | 128.5 | 167.9 | 73.3 | 0 | 0 | 0 | 0 | 109.4 | N180 | S178-N180 PolarHBondContact O-N 3.27Š| ||
| 179 | I | 43 | Very low | 56 | Low | 140 Ų | 140 | 100.3 Ų | 100.3 | 72% | 0.718 | 56% | 0.556 | S | S | * | * | trans | -69 | 85 | 169.5 | -58.5 | 170.8 | 0 | 0 | 0 | 106.8 | R177 S181 | R177-I179 PolarHBondContact O-N 2.71Å; I179-S181 VanDerWaalsContact CG2-O 3.27Å; I179-S181 WeakPolarHBondContact CG2-O 3.34Å; I179-S181 PolarHBondContact O-N 2.62Å | ||
| 180 | N | 38.2 | Very low | 54.1 | Low | 149 Ų | 149 | 99.4 Ų | 99.4 | 80% | 0.797 | 55% | 0.545 | S | S | * | . | trans | -82.3 | 74.8 | 150.8 | -78.9 | -0.5 | 0 | 0 | 0 | 106.4 | S178 | S178-N180 PolarHBondContact O-N 3.27Š| ||
| 181 | S | 37.4 | Very low | 52.6 | Low | 83 Ų | 83 | 104.3 Ų | 104.3 | 58% | 0.58 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -160.9 | 125.6 | 161.4 | -89.8 | 0 | 0 | 0 | 0 | 109.4 | I179 T183 | I179-S181 VanDerWaalsContact CG2-O 3.27Å; I179-S181 WeakPolarHBondContact CG2-O 3.34Å; I179-S181 PolarHBondContact O-N 2.62Å; S181-T183 PolarHBondContact O-N 2.74Å |
| 182 | S | 41.3 | Very low | 50.8 | Low | 128 Ų | 128 | 111.4 Ų | 111.4 | 90% | 0.895 | 62% | 0.615 | S | S | * | * | trans | -59.7 | 61.7 | 167 | 49.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 183 | T | 39.8 | Very low | 48.9 | Very low | 107 Ų | 107 | 110.2 Ų | 110.2 | 66% | 0.656 | 62% | 0.618 | S | S | * | * | trans | -112.4 | 94.9 | 162.1 | 53.1 | 0 | 0 | 0 | 0 | 106.5 | S181 E185 | S181-T183 PolarHBondContact O-N 2.74Å; T183-E185 PolarHBondContact O-N 2.93Å | ||
| 184 | T | 39.7 | Very low | 47.2 | Very low | 121 Ų | 121 | 111 Ų | 111 | 74% | 0.742 | 63% | 0.626 | S | S | * | * | trans | -33.6 | 129.9 | 161.5 | 31.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 185 | E | 45.6 | Very low | 46.5 | Very low | 157 Ų | 157 | 111.7 Ų | 111.7 | 73% | 0.734 | 63% | 0.63 | S | S | * | * | S | Bend | trans | 76.1 | 146.8 | 154.4 | -59.7 | 175.9 | -174.8 | 0 | 0 | 118.1 | T183 T187 | T183-E185 PolarHBondContact O-N 2.93Å; E185-T187 WeakPolarHBondContact CB-OG1 3.34Å; E185-T187 PolarHBondContact O-N 2.94Å; E185-T187 PolarHBondContact OE2-OG1 3.36Å |
| 186 | N | 50.5 | Low | 46.7 | Very low | 121 Ų | 121 | 110.2 Ų | 110.2 | 65% | 0.647 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -61.7 | 19 | 170.3 | -74.3 | -25.2 | 0 | 0 | 0 | 113.1 | T197 | N186-T197 PolarHBondContact O-N 3.24Å; N186-T197 VanDerWaalsContact O-N 3.08Å |
| 187 | T | 45 | Very low | 47.8 | Very low | 41 Ų | 41 | 107.6 Ų | 107.6 | 25% | 0.252 | 60% | 0.597 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -120.5 | 126.1 | -169.9 | 46.5 | 0 | 0 | 0 | 0 | 108.9 | E185 F195 | E185-T187 WeakPolarHBondContact CB-OG1 3.34Å; E185-T187 PolarHBondContact O-N 2.94Å; E185-T187 PolarHBondContact OE2-OG1 3.36Å; T187-F195 WeakPolarHBondContact CA-O 3.39Å |
| 188 | I | 49.5 | Very low | 49.7 | Very low | 42 Ų | 42 | 97.9 Ų | 97.9 | 22% | 0.215 | 56% | 0.562 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -85.3 | 115.9 | 164.8 | -48.6 | 174.5 | 0 | 0 | 0 | 106.5 | I190 S194 F195 T197 | I188-I190 HydrophobicContact CB-CG1 4.1Å; I188-I190 HydrophobicContact CG2-CD1 4.11Å; I188-I190 HydrophobicContact CG2-CG1 3.36Å; I188-I190 PolarHBondContact O-N 3.42Å; I188-S194 WeakPolarHBondContact O-CA 3.23Å; I188-F195 PolarHBondContact N-O 3.29Å; I188-T197 HydrophobicContact CG1-CG2 4.18Å |
| 189 | D | 41.6 | Very low | 52.1 | Low | 139 Ų | 139 | 94.9 Ų | 94.9 | 74% | 0.743 | 54% | 0.538 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 79.9 | 162.2 | -89.1 | -20.3 | 0 | 0 | 0 | 108.9 | S191 | D189-S191 PolarHBondContact O-N 3.31Å |
| 190 | I | 48.3 | Very low | 54.5 | Low | 83 Ų | 83 | 88.3 Ų | 88.3 | 43% | 0.426 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 79.8 | 164 | -53.9 | -175.8 | 0 | 0 | 0 | 106.5 | I188 N192 L193 F195 | I188-I190 HydrophobicContact CB-CG1 4.1Å; I188-I190 HydrophobicContact CG2-CD1 4.11Å; I188-I190 HydrophobicContact CG2-CG1 3.36Å; I188-I190 PolarHBondContact O-N 3.42Å; I190-N192 PolarHBondContact O-N 2.95Å; I190-L193 PolarHBondContact N-O 2.87Å; I190-L193 PolarHBondContact O-N 2.81Å; I190-F195 HydrophobicContact CD1-CD2 4.27Å; I190-F195 HydrophobicContact CD1-CE2 4.17Å |
| 191 | S | 56 | Low | 57.2 | Low | 110 Ų | 110 | 81.4 Ų | 81.4 | 77% | 0.769 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 39.8 | 11 | 167.4 | 58.5 | 0 | 0 | 0 | 0 | 120.2 | D189 | D189-S191 PolarHBondContact O-N 3.31Š|
| 192 | N | 53.5 | Low | 59.8 | Low | 163 Ų | 163 | 77.5 Ų | 77.5 | 87% | 0.872 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 172.4 | 6 | 162.8 | -91.3 | -16.4 | 0 | 0 | 0 | 113.8 | I190 | I190-N192 PolarHBondContact O-N 2.95Š|
| 193 | L | 46.4 | Very low | 62.4 | Low | 105 Ų | 105 | 71.4 Ų | 71.4 | 55% | 0.55 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 119.9 | 175 | -134.8 | 78.1 | 0 | 0 | 0 | 112.1 | I190 F195 | I190-L193 PolarHBondContact N-O 2.87Å; I190-L193 PolarHBondContact O-N 2.81Å; L193-F195 HydrophobicContact CB-CE2 3.93Å; L193-F195 HydrophobicContact CB-CZ 4.19Å; L193-F195 HydrophobicContact CD2-CE1 3.68Å; L193-F195 HydrophobicContact CD2-CE2 4Å; L193-F195 HydrophobicContact CD2-CZ 3.37Å; L193-F195 HydrophobicContact CG-CE2 4.49Å; L193-F195 HydrophobicContact CG-CZ 4.31Å |
| 194 | S | 49 | Very low | 65.2 | Low | 80 Ų | 80 | 66.5 Ų | 66.5 | 56% | 0.559 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 111 | 172.7 | 49.9 | 0 | 0 | 0 | 0 | 110.4 | I188 | I188-S194 WeakPolarHBondContact O-CA 3.23Å |
| 195 | F | 54.3 | Low | 67.9 | Low | 67 Ų | 67 | 60.8 Ų | 60.8 | 29% | 0.294 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 130.1 | 174.8 | -64.9 | -82.5 | 0 | 0 | 0 | 111.2 | A170 T187 I188 I190 L193 T197 | A170-F195 HydrophobicContact CB-CB 3.99Å; T187-F195 WeakPolarHBondContact CA-O 3.39Å; I188-F195 PolarHBondContact N-O 3.29Å; I190-F195 HydrophobicContact CD1-CD2 4.27Å; I190-F195 HydrophobicContact CD1-CE2 4.17Å; L193-F195 HydrophobicContact CB-CE2 3.93Å; L193-F195 HydrophobicContact CB-CZ 4.19Å; L193-F195 HydrophobicContact CD2-CE1 3.68Å; L193-F195 HydrophobicContact CD2-CE2 4Å; L193-F195 HydrophobicContact CD2-CZ 3.37Å; L193-F195 HydrophobicContact CG-CE2 4.49Å; L193-F195 HydrophobicContact CG-CZ 4.31Å; F195-T197 PolarHBondContact O-N 3.37Å |
| 196 | I | 66 | Low | 70.4 | Confident | 73 Ų | 73 | 53.4 Ų | 53.4 | 37% | 0.374 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 119.4 | 166 | -61.9 | 161.5 | 0 | 0 | 0 | 107.6 | A170 V198 H543 | A170-I196 WeakPolarHBondContact CB-O 3.17Å; I196-V198 PolarHBondContact O-N 2.79Å; I196-H543 VanDerWaalsContact CD1-CD2 3.44Å; I196-H543 WeakPolarHBondContact CD1-CD2 3.29Å; I196-H543 WeakPolarHBondContact CD1-NE2 3.44Å |
| 197 | T | 75 | Confident | 72.6 | Confident | 38 Ų | 38 | 51.4 Ų | 51.4 | 23% | 0.233 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 132.5 | 176.5 | 57 | 0 | 0 | 0 | 0 | 111.2 | A170 R172 N186 I188 F195 | A170-T197 WeakPolarHBondContact O-CA 3.4Å; R172-T197 HydrophobicContact CG-CG2 3.97Å; N186-T197 PolarHBondContact O-N 3.24Å; N186-T197 VanDerWaalsContact O-N 3.08Å; I188-T197 HydrophobicContact CG1-CG2 4.18Å; F195-T197 PolarHBondContact O-N 3.37Å |
| 198 | V | 84.6 | Confident | 75 | Confident | 13 Ų | 13 | 52.8 Ų | 52.8 | 8% | 0.079 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 138.4 | 178.8 | -175.5 | 0 | 0 | 0 | 0 | 109 | A170 C171 R172 I196 T202 E203 | A170-V198 PolarHBondContact O-N 2.95Å; A170-V198 VanDerWaalsContact O-N 3.11Å; C171-V198 CarbonylContact C-O 3.54Å; C171-V198 WeakPolarHBondContact CA-O 3.33Å; R172-V198 PolarHBondContact N-O 3.44Å; I196-V198 PolarHBondContact O-N 2.79Å; V198-T202 HydrophobicContact CG1-CG2 3.49Å; V198-T202 VanDerWaalsContact CG1-CG2 3.49Å; V198-E203 HydrophobicContact CB-CG 4.12Å; V198-E203 HydrophobicContact CG1-CG 3.76Å |
| 199 | D | 88.8 | Confident | 77.4 | Confident | 32 Ų | 32 | 50.8 Ų | 50.8 | 17% | 0.171 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 151.9 | -179.8 | 74.1 | 80.1 | 0 | 0 | 0 | 112.9 | R172 T201 T202 E203 K382 | R172-D199 WeakPolarHBondContact O-CA 3.26Å; D199-T201 PolarHBondContact O-N 3.28Å; D199-T201 VanDerWaalsContact O-N 3.12Å; D199-T201 WeakPolarHBondContact OD1-CA 3.32Å; D199-T201 WeakPolarHBondContact OD1-CB 3.36Å; D199-T201 PolarHBondContact OD1-N 3.23Å; D199-T202 WeakPolarHBondContact O-CB 3.47Å; D199-T202 PolarHBondContact O-N 3.26Å; D199-T202 VanDerWaalsContact O-N 3.14Å; D199-T202 PolarHBondContact OD1-N 2.83Å; D199-T202 PolarHBondContact OD1-OG1 3.18Å; D199-T202 PolarHBondContact OD2-OG1 3.39Å; D199-E203 PolarHBondContact O-N 2.75Å; D199-K382 VanDerWaalsContact CG-NZ 3.26Å; D199-K382 IonicContact OD1-NZ 3.66Å; D199-K382 IonicContact OD2-NZ 2.61Å; D199-K382 PolarHBondContact OD2-NZ 2.87Å |
| 200 | S | 94 | Very high | 80 | Confident | 3 Ų | 3 | 44.3 Ų | 44.3 | 2% | 0.021 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -56.7 | -28.6 | -177.5 | 58.5 | 0 | 0 | 0 | 0 | 114.7 | W159 K161 R172 Y204 | W159-S200 CarbonylContact O-C 3.45Å; W159-S200 WeakPolarHBondContact O-CB 3.43Å; W159-S200 PolarHBondContact O-OG 2.94Å; K161-S200 WeakPolarHBondContact O-CB 3.42Å; R172-S200 PolarHBondContact O-N 3.34Å; S200-Y204 WeakPolarHBondContact O-CB 3.46Å; S200-Y204 PolarHBondContact O-N 2.99Å |
| 201 | T | 94.2 | Very high | 82.4 | Confident | 3 Ų | 3 | 42.1 Ų | 42.1 | 2% | 0.018 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -79 | -38.9 | 179.7 | -51.1 | 0 | 0 | 0 | 0 | 112 | W159 D199 Y204 W205 I378 P381 K382 | W159-T201 HydrophobicContact CB-CG2 4.07Å; W159-T201 HydrophobicContact CG-CG2 4.21Å; W159-T201 PolarHBondContact O-N 3.15Å; W159-T201 PolarHBondContact O-OG1 2.71Å; W159-T201 VanDerWaalsContact O-OG1 3.1Å; D199-T201 PolarHBondContact O-N 3.28Å; D199-T201 VanDerWaalsContact O-N 3.12Å; D199-T201 WeakPolarHBondContact OD1-CA 3.32Å; D199-T201 WeakPolarHBondContact OD1-CB 3.36Å; D199-T201 PolarHBondContact OD1-N 3.23Å; T201-Y204 PolarHBondContact O-N 3.29Å; T201-W205 PolarHBondContact O-N 3.36Å; T201-I378 HydrophobicContact CG2-CG2 4.46Å; T201-I378 VanDerWaalsContact CG2-O 3.26Å; T201-I378 WeakPolarHBondContact CG2-O 3.24Å; T201-P381 HydrophobicContact CG2-CB 3.93Å; T201-K382 HydrophobicContact CG2-CB 4.13Å |
| 202 | T | 93.8 | Very high | 84.3 | Confident | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.012 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.2 | -47.5 | 170 | -64.2 | 0 | 0 | 0 | 0 | 111.2 | V198 D199 Y204 W205 E206 I378 A540 | V198-T202 HydrophobicContact CG1-CG2 3.49Å; V198-T202 VanDerWaalsContact CG1-CG2 3.49Å; D199-T202 WeakPolarHBondContact O-CB 3.47Å; D199-T202 PolarHBondContact O-N 3.26Å; D199-T202 VanDerWaalsContact O-N 3.14Å; D199-T202 PolarHBondContact OD1-N 2.83Å; D199-T202 PolarHBondContact OD1-OG1 3.18Å; D199-T202 PolarHBondContact OD2-OG1 3.39Å; T202-Y204 VanDerWaalsContact C-N 3.33Å; T202-Y204 PolarHBondContact O-N 3.47Å; T202-W205 PolarHBondContact O-N 3.48Å; T202-E206 HydrophobicContact CG2-CG 4.34Å; T202-E206 PolarHBondContact O-N 3.06Å; T202-I378 WeakPolarHBondContact OG1-CG2 3.35Å; T202-A540 HydrophobicContact CG2-CB 3.46Å; T202-A540 VanDerWaalsContact CG2-CB 3.46Å |
| 203 | E | 95.8 | Very high | 86.4 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.7 | -36.6 | 178.3 | -68.8 | -156.9 | 169.4 | 0 | 0 | 112.8 | N167 T168 C171 V198 D199 Y207 R208 | N167-E203 WeakPolarHBondContact CA-OE2 3.31Å; N167-E203 WeakPolarHBondContact CB-OE2 3.46Å; N167-E203 PolarHBondContact ND2-OE2 2.92Å; T168-E203 WeakPolarHBondContact CB-OE1 3.33Å; T168-E203 PolarHBondContact N-OE2 3.49Å; T168-E203 PolarHBondContact OG1-OE1 2.94Å; C171-E203 VanDerWaalsContact CB-OE2 3.26Å; C171-E203 WeakPolarHBondContact CB-OE2 3.42Å; C171-E203 PolarHBondContact N-OE1 2.91Å; C171-E203 PolarHBondContact SG-OE2 3.13Å; V198-E203 HydrophobicContact CB-CG 4.12Å; V198-E203 HydrophobicContact CG1-CG 3.76Å; D199-E203 PolarHBondContact O-N 2.75Å; E203-Y207 HydrophobicContact CB-CD2 3.83Å; E203-Y207 HydrophobicContact CB-CE2 4.28Å; E203-Y207 HydrophobicContact CG-CD2 3.87Å; E203-Y207 HydrophobicContact CG-CE2 3.82Å; E203-Y207 WeakPolarHBondContact O-CA 3.29Å; E203-Y207 VanDerWaalsContact O-CB 3.31Å; E203-Y207 WeakPolarHBondContact O-CB 3.47Å; E203-Y207 PolarHBondContact O-N 2.8Å; E203-R208 PolarHBondContact O-N 3.15Å |
| 204 | Y | 97.3 | Very high | 88.7 | Confident | 4 Ų | 4 | 29.9 Ų | 29.9 | 2% | 0.016 | 16% | 0.158 | C | C | . | . | I | π-helix | trans | -60.1 | -47.7 | 173.3 | -179.4 | -97.7 | 0 | 0 | 0 | 111.3 | H147 Y148 S151 P158 W159 W166 S200 T201 T202 R208 V209 | H147-Y204 PolarHBondContact CE1-OH 3.09Å; H147-Y204 PolarHBondContact ND1-OH 3.47Å; Y148-Y204 HydrophobicContact CD1-CE1 4.16Å; Y148-Y204 HydrophobicContact CD2-CE1 4.45Å; Y148-Y204 AromaticContact CE1-CD1 3.94Å; Y148-Y204 HydrophobicContact CE1-CD1 3.94Å; Y148-Y204 AromaticContact CE1-CE1 3.69Å; Y148-Y204 HydrophobicContact CE1-CE1 3.69Å; Y148-Y204 HydrophobicContact CE2-CD1 4.49Å; Y148-Y204 AromaticContact CE2-CE1 3.98Å; Y148-Y204 HydrophobicContact CE2-CE1 3.98Å; Y148-Y204 AromaticContact CZ-CD1 3.76Å; Y148-Y204 AromaticContact CZ-CE1 3.59Å; S151-Y204 WeakPolarHBondContact CB-OH 3.13Å; S151-Y204 PolarHBondContact OG-OH 3.18Å; P158-Y204 HydrophobicContact CB-CD2 4.22Å; P158-Y204 HydrophobicContact CB-CE2 3.84Å; P158-Y204 HydrophobicContact CG-CD2 4.44Å; P158-Y204 HydrophobicContact CG-CE2 3.75Å; W159-Y204 HydrophobicContact CB-CD1 3.94Å; W159-Y204 HydrophobicContact CB-CD2 4.35Å; W159-Y204 HydrophobicContact CB-CG 3.71Å; W159-Y204 HydrophobicContact CD2-CD1 4.41Å; W159-Y204 HydrophobicContact CD2-CE1 4.49Å; W159-Y204 AromaticContact CE3-CD1 3.78Å; W159-Y204 HydrophobicContact CE3-CD1 3.78Å; W159-Y204 AromaticContact CE3-CE1 3.48Å; W159-Y204 HydrophobicContact CE3-CE1 3.48Å; W159-Y204 VanDerWaalsContact CE3-CE1 3.48Å; W159-Y204 HydrophobicContact CE3-CE2 4.31Å; W159-Y204 HydrophobicContact CE3-CG 4.31Å; W159-Y204 AromaticContact CE3-CZ 3.79Å; W159-Y204 AromaticContact CZ3-CE1 3.97Å; W159-Y204 HydrophobicContact CZ3-CE1 3.97Å; W166-Y204 AromaticContact CZ2-CD2 3.78Å; W166-Y204 HydrophobicContact CZ2-CD2 3.78Å; W166-Y204 HydrophobicContact CZ2-CE2 4.21Å; S200-Y204 WeakPolarHBondContact O-CB 3.46Å; S200-Y204 PolarHBondContact O-N 2.99Å; T201-Y204 PolarHBondContact O-N 3.29Å; T202-Y204 VanDerWaalsContact C-N 3.33Å; T202-Y204 PolarHBondContact O-N 3.47Å; Y204-R208 HydrophobicContact CD2-CB 4.04Å; Y204-R208 HydrophobicContact CD2-CG 4.08Å; Y204-R208 HydrophobicContact CE2-CB 4.31Å; Y204-R208 HydrophobicContact CE2-CG 3.85Å; Y204-R208 WeakPolarHBondContact O-CA 3.48Å; Y204-R208 VanDerWaalsContact O-CB 3.29Å; Y204-R208 WeakPolarHBondContact O-CB 3.44Å; Y204-R208 PolarHBondContact O-N 3.47Å; Y204-R208 VanDerWaalsContact O-N 3.15Å; Y204-V209 HydrophobicContact CD1-CG2 3.75Å; Y204-V209 HydrophobicContact CE1-CG2 3.35Å; Y204-V209 WeakPolarHBondContact O-CG2 3.45Å; Y204-V209 PolarHBondContact O-N 2.7Å |
| 205 | W | 97.4 | Very high | 90.9 | Very high | 1 Ų | 1 | 26.1 Ų | 26.1 | 0% | 0.004 | 13% | 0.131 | C | C | . | . | I | π-helix | trans | -62.7 | -55.4 | 177.7 | 174.1 | -108.5 | 0 | 0 | 0 | 112.3 | W144 Y148 T201 T202 V209 L210 P373 F377 I378 M458 | W144-W205 HydrophobicContact CB-CH2 4.34Å; W144-W205 HydrophobicContact CB-CZ3 4.11Å; W144-W205 AromaticContact CD2-CH2 3.54Å; W144-W205 HydrophobicContact CD2-CH2 3.54Å; W144-W205 HydrophobicContact CD2-CZ3 4.17Å; W144-W205 AromaticContact CE2-CH2 3.88Å; W144-W205 AromaticContact CE3-CH2 3.69Å; W144-W205 HydrophobicContact CE3-CH2 3.69Å; W144-W205 AromaticContact CG-CH2 3.84Å; W144-W205 HydrophobicContact CG-CH2 3.84Å; W144-W205 AromaticContact CG-CZ3 3.96Å; W144-W205 HydrophobicContact CG-CZ3 3.96Å; W144-W205 HydrophobicContact CH2-CH2 4.48Å; W144-W205 HydrophobicContact CZ2-CH2 4.34Å; W144-W205 HydrophobicContact CZ3-CH2 4.17Å; Y148-W205 AromaticContact CE2-CE3 3.82Å; Y148-W205 HydrophobicContact CE2-CE3 3.82Å; Y148-W205 HydrophobicContact CE2-CZ3 4.01Å; T201-W205 PolarHBondContact O-N 3.36Å; T202-W205 PolarHBondContact O-N 3.48Å; W205-V209 HydrophobicContact CE3-CB 4.29Å; W205-V209 HydrophobicContact CE3-CG1 4.15Å; W205-V209 HydrophobicContact CZ3-CG1 4.14Å; W205-V209 WeakPolarHBondContact O-CB 3.4Å; W205-L210 HydrophobicContact CD2-CD1 4.16Å; W205-L210 HydrophobicContact CD2-CG 4.33Å; W205-L210 HydrophobicContact CH2-CD2 4.3Å; W205-L210 HydrophobicContact CZ2-CD1 3.75Å; W205-L210 HydrophobicContact CZ2-CD2 4.24Å; W205-L210 HydrophobicContact CZ2-CG 4.22Å; W205-L210 WeakPolarHBondContact O-CG 3.42Å; W205-L210 PolarHBondContact O-N 2.99Å; W205-P373 HydrophobicContact CH2-CB 4.37Å; W205-P373 HydrophobicContact CZ2-CB 4Å; W205-F377 HydrophobicContact CD2-CB 4.03Å; W205-F377 HydrophobicContact CE3-CB 3.45Å; W205-F377 VanDerWaalsContact CE3-CB 3.45Å; W205-F377 HydrophobicContact CE3-CG 4.1Å; W205-F377 HydrophobicContact CH2-CB 3.95Å; W205-F377 AromaticContact CH2-CD2 3.75Å; W205-F377 HydrophobicContact CH2-CD2 3.75Å; W205-F377 HydrophobicContact CH2-CE2 4.48Å; W205-F377 AromaticContact CH2-CG 3.89Å; W205-F377 HydrophobicContact CH2-CG 3.89Å; W205-F377 HydrophobicContact CZ2-CB 4.5Å; W205-F377 HydrophobicContact CZ3-CB 3.4Å; W205-F377 VanDerWaalsContact CZ3-CB 3.4Å; W205-F377 HydrophobicContact CZ3-CD1 4.07Å; W205-F377 AromaticContact CZ3-CD2 3.88Å; W205-F377 HydrophobicContact CZ3-CD2 3.88Å; W205-F377 AromaticContact CZ3-CG 3.51Å; W205-F377 HydrophobicContact CZ3-CG 3.51Å; W205-I378 HydrophobicContact CB-CD1 4.34Å; W205-I378 HydrophobicContact CB-CG1 3.86Å; W205-I378 HydrophobicContact CD2-CG1 4.47Å; W205-I378 HydrophobicContact CG-CD1 4.01Å; W205-I378 HydrophobicContact CG-CG1 3.76Å; W205-M458 HydrophobicContact CZ2-SD 4.43Å |
| 206 | E | 96.6 | Very high | 92.9 | Very high | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.005 | 12% | 0.12 | C | C | . | . | I | π-helix | trans | -75.6 | -41.7 | -170.6 | -65.9 | -171.2 | 178.3 | 0 | 0 | 112.4 | T202 S211 I212 A540 S541 | T202-E206 HydrophobicContact CG2-CG 4.34Å; T202-E206 PolarHBondContact O-N 3.06Å; E206-S211 CarbonylContact O-C 3.46Å; E206-S211 WeakPolarHBondContact O-CA 3.49Å; E206-S211 PolarHBondContact O-N 3.29Å; E206-S211 VanDerWaalsContact O-N 3.12Å; E206-I212 HydrophobicContact CB-CG2 3.92Å; E206-I212 PolarHBondContact O-N 2.97Å; E206-A540 PolarHBondContact OE1-N 2.88Å; E206-S541 PolarHBondContact OE1-N 2.82Å; E206-S541 WeakPolarHBondContact OE2-CB 3.48Å; E206-S541 PolarHBondContact OE2-OG 2.04Å |
| 207 | Y | 96.7 | Very high | 94.3 | Very high | 79 Ų | 79 | 25.2 Ų | 25.2 | 31% | 0.31 | 13% | 0.126 | S | C | . | . | I | π-helix | trans | -100.1 | -32.5 | -172.4 | -54 | -40.8 | 0 | 0 | 0 | 114.1 | T168 E203 S211 | T168-Y207 HydrophobicContact CG2-CD2 3.93Å; T168-Y207 HydrophobicContact CG2-CE2 3.52Å; E203-Y207 HydrophobicContact CB-CD2 3.83Å; E203-Y207 HydrophobicContact CB-CE2 4.28Å; E203-Y207 HydrophobicContact CG-CD2 3.87Å; E203-Y207 HydrophobicContact CG-CE2 3.82Å; E203-Y207 WeakPolarHBondContact O-CA 3.29Å; E203-Y207 VanDerWaalsContact O-CB 3.31Å; E203-Y207 WeakPolarHBondContact O-CB 3.47Å; E203-Y207 PolarHBondContact O-N 2.8Å; Y207-S211 PolarHBondContact O-OG 3.07Å |
| 208 | R | 97.2 | Very high | 95.3 | Very high | 70 Ų | 70 | 26.9 Ų | 26.9 | 26% | 0.264 | 13% | 0.134 | S | C | . | . | I | π-helix | trans | -90.4 | -53.2 | 177.3 | 176.5 | 54.2 | -169.2 | 91 | 0 | 113 | W166 E203 Y204 D225 | W166-R208 HydrophobicContact CB-CB 4.18Å; W166-R208 HydrophobicContact CD2-CB 3.66Å; W166-R208 HydrophobicContact CD2-CG 3.93Å; W166-R208 HydrophobicContact CE3-CB 4.22Å; W166-R208 HydrophobicContact CE3-CG 4Å; W166-R208 HydrophobicContact CG-CB 3.62Å; W166-R208 HydrophobicContact CG-CG 4.39Å; W166-R208 HydrophobicContact CH2-CG 4.49Å; W166-R208 HydrophobicContact CZ2-CG 4.43Å; W166-R208 HydrophobicContact CZ3-CG 4.29Å; E203-R208 PolarHBondContact O-N 3.15Å; Y204-R208 HydrophobicContact CD2-CB 4.04Å; Y204-R208 HydrophobicContact CD2-CG 4.08Å; Y204-R208 HydrophobicContact CE2-CB 4.31Å; Y204-R208 HydrophobicContact CE2-CG 3.85Å; Y204-R208 WeakPolarHBondContact O-CA 3.48Å; Y204-R208 VanDerWaalsContact O-CB 3.29Å; Y204-R208 WeakPolarHBondContact O-CB 3.44Å; Y204-R208 PolarHBondContact O-N 3.47Å; Y204-R208 VanDerWaalsContact O-N 3.15Å; R208-D225 IonicContact CZ-OD2 3.84Å; R208-D225 IonicContact NH1-OD2 3.83Å; R208-D225 PolarHBondContact NH1-OD2 3.11Å; R208-D225 IonicContact NH2-OD2 3.55Å; R208-D225 PolarHBondContact NH2-OD2 3.42Å |
| 209 | V | 98 | Very high | 95.9 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | I | π-helix | trans | -74.1 | -54.8 | -173.5 | 179.6 | 0 | 0 | 0 | 0 | 110.1 | Y148 Y204 W205 L226 | Y148-V209 HydrophobicContact CE2-CG1 4.42Å; Y148-V209 HydrophobicContact CE2-CG2 3.84Å; Y204-V209 HydrophobicContact CD1-CG2 3.75Å; Y204-V209 HydrophobicContact CE1-CG2 3.35Å; Y204-V209 WeakPolarHBondContact O-CG2 3.45Å; Y204-V209 PolarHBondContact O-N 2.7Å; W205-V209 HydrophobicContact CE3-CB 4.29Å; W205-V209 HydrophobicContact CE3-CG1 4.15Å; W205-V209 HydrophobicContact CZ3-CG1 4.14Å; W205-V209 WeakPolarHBondContact O-CB 3.4Å; V209-L226 HydrophobicContact CG1-CD2 4.09Å; V209-L226 WeakPolarHBondContact O-CD1 3.37Å |
| 210 | L | 98 | Very high | 96.3 | Very high | 4 Ų | 4 | 30.7 Ų | 30.7 | 2% | 0.021 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -86.4 | -30.6 | -176.2 | -62.2 | -178.7 | 0 | 0 | 0 | 113.2 | W144 W205 I212 M458 | W144-L210 HydrophobicContact CZ2-CD2 4.21Å; W205-L210 HydrophobicContact CD2-CD1 4.16Å; W205-L210 HydrophobicContact CD2-CG 4.33Å; W205-L210 HydrophobicContact CH2-CD2 4.3Å; W205-L210 HydrophobicContact CZ2-CD1 3.75Å; W205-L210 HydrophobicContact CZ2-CD2 4.24Å; W205-L210 HydrophobicContact CZ2-CG 4.22Å; W205-L210 WeakPolarHBondContact O-CG 3.42Å; W205-L210 PolarHBondContact O-N 2.99Å; L210-I212 HydrophobicContact CB-CB 4.06Å; L210-I212 HydrophobicContact CD1-CD1 4.21Å; L210-I212 PolarHBondContact O-N 2.91Å; L210-M458 HydrophobicContact CD1-CB 4.08Å; L210-M458 HydrophobicContact CD1-CG 4.09Å; L210-M458 HydrophobicContact CD1-SD 4.49Å |
| 211 | S | 97.1 | Very high | 96.4 | Very high | 37 Ų | 37 | 35.1 Ų | 35.1 | 26% | 0.259 | 19% | 0.192 | S | C | . | . | trans | 45.7 | 50.5 | -162.1 | -57.4 | 0 | 0 | 0 | 0 | 110.6 | E206 Y207 S213 Q223 N455 | E206-S211 CarbonylContact O-C 3.46Å; E206-S211 WeakPolarHBondContact O-CA 3.49Å; E206-S211 PolarHBondContact O-N 3.29Å; E206-S211 VanDerWaalsContact O-N 3.12Å; Y207-S211 PolarHBondContact O-OG 3.07Å; S211-S213 PolarHBondContact O-N 3.49Å; S211-Q223 PolarHBondContact OG-OE1 3.19Å; S211-Q223 VanDerWaalsContact OG-OE1 3.05Å; S211-N455 WeakPolarHBondContact CB-ND2 3.25Å; S211-N455 VanDerWaalsContact O-CB 3.32Å; S211-N455 WeakPolarHBondContact O-CB 3.32Å; S211-N455 PolarHBondContact O-ND2 3.42Å | ||
| 212 | I | 96.9 | Very high | 96.6 | Very high | 22 Ų | 22 | 39 Ų | 39 | 11% | 0.113 | 21% | 0.212 | C | C | . | . | trans | -60.2 | 135.7 | -162.5 | -162.5 | 167.5 | 0 | 0 | 0 | 111.9 | E206 L210 N455 M458 Y459 Y537 | E206-I212 HydrophobicContact CB-CG2 3.92Å; E206-I212 PolarHBondContact O-N 2.97Å; L210-I212 HydrophobicContact CB-CB 4.06Å; L210-I212 HydrophobicContact CD1-CD1 4.21Å; L210-I212 PolarHBondContact O-N 2.91Å; I212-N455 CarbonylContact C-O 3.6Å; I212-N455 WeakPolarHBondContact CA-O 3.33Å; I212-M458 HydrophobicContact CD1-CB 4.06Å; I212-M458 HydrophobicContact CD1-CG 4.21Å; I212-Y459 HydrophobicContact CD1-CE2 4.41Å; I212-Y459 HydrophobicContact CG1-CE2 4.13Å; I212-Y537 HydrophobicContact CD1-CE1 3.82Å | ||
| 213 | S | 96.9 | Very high | 96.8 | Very high | 17 Ų | 17 | 39.7 Ų | 39.7 | 12% | 0.119 | 22% | 0.215 | C | C | . | . | trans | -75.5 | 175.6 | 171.3 | 59.9 | 0 | 0 | 0 | 0 | 111.7 | S211 G215 N218 N455 G456 Y459 R539 | S211-S213 PolarHBondContact O-N 3.49Å; S213-G215 VanDerWaalsContact C-N 3.35Å; S213-G215 PolarHBondContact OG-O 3.33Å; S213-N218 WeakPolarHBondContact CB-O 3.38Å; S213-N218 PolarHBondContact OG-O 2.98Å; S213-N218 VanDerWaalsContact OG-O 3.05Å; S213-N455 PolarHBondContact N-O 3.14Å; S213-N455 PolarHBondContact OG-O 3.08Å; S213-G456 WeakPolarHBondContact OG-CA 3.39Å; S213-G456 PolarHBondContact OG-N 3.35Å; S213-Y459 PolarHBondContact O-OH 3.27Å; S213-R539 PolarHBondContact O-NH1 3.07Å | ||
| 214 | D | 94.5 | Very high | 96.9 | Very high | 82 Ų | 82 | 49 Ų | 49 | 44% | 0.439 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -72.3 | -26.5 | 175.6 | 61.9 | -34.9 | 0 | 0 | 0 | 113.3 | H217 N218 Y459 R539 Y546 | D214-H217 IonicContact OD2-CE1 3.94Å; D214-H217 PolarHBondContact OD2-CE1 2.98Å; D214-H217 IonicContact OD2-NE2 3.78Å; D214-H217 PolarHBondContact OD2-NE2 3.49Å; D214-N218 VanDerWaalsContact CG-ND2 3.27Å; D214-N218 VanDerWaalsContact OD1-CB 3.28Å; D214-N218 WeakPolarHBondContact OD1-CB 3.45Å; D214-N218 PolarHBondContact OD1-ND2 3.14Å; D214-N218 PolarHBondContact OD2-ND2 2.76Å; D214-N218 VanDerWaalsContact OD2-ND2 3.09Å; D214-Y459 PolarHBondContact O-OH 3.15Å; D214-R539 PolarHBondContact O-NH2 3.49Å; D214-Y546 WeakPolarHBondContact O-CE2 3.4Å |
| 215 | G | 95.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -175.8 | 175.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | S213 H217 N218 Y459 Y546 | S213-G215 VanDerWaalsContact C-N 3.35Å; S213-G215 PolarHBondContact OG-O 3.33Å; G215-H217 PolarHBondContact O-N 3.22Å; G215-N218 PolarHBondContact O-N 2.94Å; G215-Y459 VanDerWaalsContact CA-CE2 3.44Å; G215-Y546 WeakPolarHBondContact CA-OH 3.19Å |
| 216 | I | 96.7 | Very high | 97 | Very high | 14 Ų | 14 | 49.7 Ų | 49.7 | 7% | 0.072 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -19.1 | -177 | -161.7 | 173 | 0 | 0 | 0 | 114.3 | N218 Y459 V460 L463 Y546 F548 P549 W551 A552 | I216-N218 VanDerWaalsContact C-N 3.32Å; I216-Y459 HydrophobicContact CB-CG 4.24Å; I216-V460 HydrophobicContact CD1-CG2 4.49Å; I216-V460 HydrophobicContact CG1-CG2 4.34Å; I216-L463 HydrophobicContact CD1-CD2 4.34Å; I216-Y546 WeakPolarHBondContact CG2-OH 3.35Å; I216-Y546 PolarHBondContact N-OH 3.43Å; I216-Y546 VanDerWaalsContact N-OH 3.07Å; I216-F548 HydrophobicContact CD1-CD1 4.29Å; I216-F548 HydrophobicContact CD1-CE1 4.19Å; I216-P549 HydrophobicContact CG2-CG 3.72Å; I216-W551 HydrophobicContact CD1-CH2 4.1Å; I216-W551 HydrophobicContact CG1-CH2 4.05Å; I216-W551 HydrophobicContact CG2-CH2 3.84Å; I216-W551 HydrophobicContact CG2-CZ2 3.61Å; I216-A552 HydrophobicContact CD1-CB 4.07Å; I216-A552 HydrophobicContact CG2-CB 4.22Å |
| 217 | H | 95.6 | Very high | 97.1 | Very high | 108 Ų | 108 | 50.2 Ų | 50.2 | 50% | 0.5 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -22.4 | 177.8 | 61.9 | -77.7 | 0 | 0 | 0 | 112.7 | D214 G215 | D214-H217 IonicContact OD2-CE1 3.94Å; D214-H217 PolarHBondContact OD2-CE1 2.98Å; D214-H217 IonicContact OD2-NE2 3.78Å; D214-H217 PolarHBondContact OD2-NE2 3.49Å; G215-H217 PolarHBondContact O-N 3.22Å |
| 218 | N | 96.3 | Very high | 97.2 | Very high | 73 Ų | 73 | 51.6 Ų | 51.6 | 39% | 0.39 | 27% | 0.271 | S | S | . | . | trans | -110.4 | 74.8 | 178.9 | -69.2 | -26.3 | 0 | 0 | 0 | 109.7 | S213 D214 G215 I216 G220 | S213-N218 WeakPolarHBondContact CB-O 3.38Å; S213-N218 PolarHBondContact OG-O 2.98Å; S213-N218 VanDerWaalsContact OG-O 3.05Å; D214-N218 VanDerWaalsContact CG-ND2 3.27Å; D214-N218 VanDerWaalsContact OD1-CB 3.28Å; D214-N218 WeakPolarHBondContact OD1-CB 3.45Å; D214-N218 PolarHBondContact OD1-ND2 3.14Å; D214-N218 PolarHBondContact OD2-ND2 2.76Å; D214-N218 VanDerWaalsContact OD2-ND2 3.09Å; G215-N218 PolarHBondContact O-N 2.94Å; I216-N218 VanDerWaalsContact C-N 3.32Å; N218-G220 PolarHBondContact O-N 3.07Å; N218-G220 VanDerWaalsContact O-N 3.14Å | ||
| 219 | I | 95.8 | Very high | 97.3 | Very high | 73 Ų | 73 | 48.7 Ų | 48.7 | 37% | 0.374 | 26% | 0.261 | S | S | . | . | trans | -60.2 | -28.7 | -176.1 | -159.6 | 63.9 | 0 | 0 | 0 | 112.8 | T454 N455 G456 V460 | I219-T454 WeakPolarHBondContact CD1-OG1 3.36Å; I219-T454 HydrophobicContact CG1-CG2 4.17Å; I219-T454 WeakPolarHBondContact CG1-OG1 3.33Å; I219-T454 VanDerWaalsContact O-CB 3.31Å; I219-T454 WeakPolarHBondContact O-CB 3.27Å; I219-T454 PolarHBondContact O-OG1 3.44Å; I219-N455 PolarHBondContact O-N 3.02Å; I219-G456 PolarHBondContact O-N 3.49Å; I219-V460 HydrophobicContact CD1-CG2 3.86Å | ||
| 220 | G | 96.7 | Very high | 97.3 | Very high | 51 Ų | 51 | 48.7 Ų | 48.7 | 53% | 0.526 | 26% | 0.261 | S | S | . | . | trans | 64.6 | -144 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | N218 | N218-G220 PolarHBondContact O-N 3.07Å; N218-G220 VanDerWaalsContact O-N 3.14Å | ||
| 221 | T | 97.6 | Very high | 97.3 | Very high | 96 Ų | 96 | 52 Ų | 52 | 59% | 0.589 | 28% | 0.278 | S | S | * | . | trans | -106.4 | 161.7 | -177.2 | 54.7 | 0 | 0 | 0 | 0 | 111.6 | Q223 T454 N455 | T221-Q223 PolarHBondContact O-N 3.1Å; T221-T454 CarbonylContact O-C 3.42Å; T221-T454 WeakPolarHBondContact O-CA 3.35Å; T221-T454 WeakPolarHBondContact O-CB 3.33Å; T221-N455 PolarHBondContact N-OD1 2.64Å; T221-N455 PolarHBondContact O-N 3.04Å; T221-N455 VanDerWaalsContact O-N 3.08Å; T221-N455 PolarHBondContact O-OD1 3.46Å; T221-N455 PolarHBondContact OG1-OD1 3.37Å | ||
| 222 | I | 98.3 | Very high | 97.4 | Very high | 85 Ų | 85 | 54.2 Ų | 54.2 | 44% | 0.436 | 28% | 0.283 | S | S | . | . | B | Isolated β-bridge | trans | -70.3 | 127.1 | 170.8 | -64.7 | 170.6 | 0 | 0 | 0 | 108.7 | W224 A227 L450 V453 T454 | I222-W224 PolarHBondContact O-N 2.9Å; I222-A227 HydrophobicContact CG2-CB 3.64Å; I222-L450 HydrophobicContact CG2-CD2 4.33Å; I222-V453 HydrophobicContact CG2-CG2 4.31Å; I222-T454 HydrophobicContact CG1-CG2 3.85Å |
| 223 | Q | 98.3 | Very high | 97.4 | Very high | 17 Ų | 17 | 53.2 Ų | 53.2 | 8% | 0.079 | 28% | 0.278 | C | S | . | . | trans | -69.6 | 109 | 170.3 | -64.6 | -59.1 | -53.7 | 0 | 0 | 108.5 | S211 T221 D225 L226 A227 V453 N455 | S211-Q223 PolarHBondContact OG-OE1 3.19Å; S211-Q223 VanDerWaalsContact OG-OE1 3.05Å; T221-Q223 PolarHBondContact O-N 3.1Å; Q223-D225 VanDerWaalsContact C-N 3.29Å; Q223-D225 PolarHBondContact O-N 3.08Å; Q223-L226 HydrophobicContact CB-CB 4.02Å; Q223-L226 HydrophobicContact CB-CD1 4.02Å; Q223-L226 HydrophobicContact CB-CG 4.04Å; Q223-L226 HydrophobicContact CG-CD1 4.34Å; Q223-L226 PolarHBondContact O-N 3.36Å; Q223-A227 WeakPolarHBondContact O-CB 3.49Å; Q223-A227 PolarHBondContact O-N 3.33Å; Q223-V453 WeakPolarHBondContact CB-O 3.1Å; Q223-V453 PolarHBondContact N-O 2.85Å; Q223-N455 PolarHBondContact NE2-ND2 3.41Å; Q223-N455 PolarHBondContact NE2-OD1 3.08Å | ||
| 224 | W | 97.9 | Very high | 97.5 | Very high | 195 Ų | 195 | 52.7 Ų | 52.7 | 74% | 0.739 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -63 | -36 | -167.5 | 73.2 | 74.4 | 0 | 0 | 0 | 112.6 | I222 A227 L228 | I222-W224 PolarHBondContact O-N 2.9Å; W224-A227 PolarHBondContact O-N 2.94Å; W224-L228 WeakPolarHBondContact O-CG 3.27Å; W224-L228 PolarHBondContact O-N 3.08Å |
| 225 | D | 97.7 | Very high | 97.6 | Very high | 19 Ų | 19 | 52.6 Ų | 52.6 | 10% | 0.102 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -74.7 | -38 | -178 | 58.2 | -15.9 | 0 | 0 | 0 | 111.4 | H147 R208 Q223 L228 C229 | H147-D225 IonicContact CD2-OD2 2.82Å; H147-D225 IonicContact NE2-OD2 3.21Å; H147-D225 PolarHBondContact NE2-OD2 3.37Å; R208-D225 IonicContact CZ-OD2 3.84Å; R208-D225 IonicContact NH1-OD2 3.83Å; R208-D225 PolarHBondContact NH1-OD2 3.11Å; R208-D225 IonicContact NH2-OD2 3.55Å; R208-D225 PolarHBondContact NH2-OD2 3.42Å; Q223-D225 VanDerWaalsContact C-N 3.29Å; Q223-D225 PolarHBondContact O-N 3.08Å; D225-L228 PolarHBondContact O-N 3.32Å; D225-C229 PolarHBondContact O-N 2.96Å; D225-C229 PolarHBondContact O-SG 2.94Å |
| 226 | L | 98.5 | Very high | 97.7 | Very high | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64 | -39.9 | 167.9 | -66 | -172.8 | 0 | 0 | 0 | 111.8 | T143 H147 V209 Q223 L228 C229 L230 V453 | T143-L226 HydrophobicContact CG2-CB 4.25Å; T143-L226 HydrophobicContact CG2-CD2 4.28Å; T143-L226 WeakPolarHBondContact CG2-O 3.27Å; H147-L226 HydrophobicContact CB-CD2 3.99Å; V209-L226 HydrophobicContact CG1-CD2 4.09Å; V209-L226 WeakPolarHBondContact O-CD1 3.37Å; Q223-L226 HydrophobicContact CB-CB 4.02Å; Q223-L226 HydrophobicContact CB-CD1 4.02Å; Q223-L226 HydrophobicContact CB-CG 4.04Å; Q223-L226 HydrophobicContact CG-CD1 4.34Å; Q223-L226 PolarHBondContact O-N 3.36Å; L226-L228 VanDerWaalsContact C-N 3.27Å; L226-L228 PolarHBondContact O-N 3.39Å; L226-C229 PolarHBondContact O-N 3.11Å; L226-L230 WeakPolarHBondContact O-CB 3.49Å; L226-L230 PolarHBondContact O-N 3.22Å; L226-V453 HydrophobicContact CB-CB 3.89Å; L226-V453 HydrophobicContact CB-CG1 4.02Å; L226-V453 HydrophobicContact CD1-CB 4.42Å |
| 227 | A | 98.6 | Very high | 97.6 | Very high | 11 Ų | 11 | 53.8 Ų | 53.8 | 9% | 0.091 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.5 | -35.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | I222 Q223 W224 L231 L450 | I222-A227 HydrophobicContact CG2-CB 3.64Å; Q223-A227 WeakPolarHBondContact O-CB 3.49Å; Q223-A227 PolarHBondContact O-N 3.33Å; W224-A227 PolarHBondContact O-N 2.94Å; A227-L231 WeakPolarHBondContact O-CB 3.41Å; A227-L231 PolarHBondContact O-N 2.71Å; A227-L450 HydrophobicContact CB-CD2 3.92Å |
| 228 | L | 98.5 | Very high | 97.6 | Very high | 109 Ų | 109 | 51.6 Ų | 51.6 | 57% | 0.571 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -70.4 | -41.9 | 172 | -70 | 174.7 | 0 | 0 | 0 | 112.2 | W224 D225 L226 L230 L231 F232 | W224-L228 WeakPolarHBondContact O-CG 3.27Å; W224-L228 PolarHBondContact O-N 3.08Å; D225-L228 PolarHBondContact O-N 3.32Å; L226-L228 VanDerWaalsContact C-N 3.27Å; L226-L228 PolarHBondContact O-N 3.39Å; L228-L230 VanDerWaalsContact C-N 3.29Å; L228-L230 PolarHBondContact O-N 3.3Å; L228-L231 PolarHBondContact O-N 3.42Å; L228-F232 WeakPolarHBondContact O-CB 3.09Å; L228-F232 PolarHBondContact O-N 3.45Å |
| 229 | C | 98.6 | Very high | 97.5 | Very high | 8 Ų | 8 | 51.7 Ų | 51.7 | 5% | 0.054 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63 | -36.7 | 174.6 | -67.9 | 0 | 0 | 0 | 0 | 111.6 | T143 F146 D225 L226 F232 T233 | T143-C229 HydrophobicContact CG2-CB 3.67Å; F146-C229 HydrophobicContact CB-CB 4.3Å; D225-C229 PolarHBondContact O-N 2.96Å; D225-C229 PolarHBondContact O-SG 2.94Å; L226-C229 PolarHBondContact O-N 3.11Å; C229-F232 PolarHBondContact O-N 3.02Å; C229-T233 WeakPolarHBondContact O-CB 3.23Å; C229-T233 PolarHBondContact O-N 2.92Å; C229-T233 PolarHBondContact O-OG1 2.86Å |
| 230 | L | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67.5 | -44.4 | 176.5 | -178.6 | 67 | 0 | 0 | 0 | 110.5 | T143 L226 L228 F232 T233 W234 Y446 L450 V453 | T143-L230 HydrophobicContact CG2-CB 3.87Å; T143-L230 VanDerWaalsContact OG1-CA 3.29Å; T143-L230 WeakPolarHBondContact OG1-CA 3.36Å; T143-L230 WeakPolarHBondContact OG1-CD1 3.27Å; L226-L230 WeakPolarHBondContact O-CB 3.49Å; L226-L230 PolarHBondContact O-N 3.22Å; L228-L230 VanDerWaalsContact C-N 3.29Å; L228-L230 PolarHBondContact O-N 3.3Å; L230-F232 VanDerWaalsContact C-N 3.33Å; L230-F232 PolarHBondContact O-N 2.7Å; L230-T233 WeakPolarHBondContact O-CB 3.33Å; L230-T233 PolarHBondContact O-N 3.3Å; L230-W234 VanDerWaalsContact O-CD1 3.26Å; L230-W234 PolarHBondContact O-N 3.25Å; L230-Y446 HydrophobicContact CB-CD2 4.44Å; L230-Y446 HydrophobicContact CB-CE2 4.22Å; L230-Y446 HydrophobicContact CD2-CD2 3.81Å; L230-Y446 HydrophobicContact CD2-CE2 3.93Å; L230-Y446 HydrophobicContact CG-CD2 3.77Å; L230-Y446 HydrophobicContact CG-CE2 4Å; L230-L450 HydrophobicContact CD2-CD2 4.3Å; L230-V453 HydrophobicContact CD2-CG1 4.39Å; L230-V453 HydrophobicContact CD2-CG2 4.29Å |
| 231 | L | 98.5 | Very high | 97.1 | Very high | 73 Ų | 73 | 46.5 Ų | 46.5 | 38% | 0.382 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -59.5 | -46.4 | 174.2 | 179.9 | 63 | 0 | 0 | 0 | 110.9 | A227 L228 T233 W234 I235 Y446 | A227-L231 WeakPolarHBondContact O-CB 3.41Å; A227-L231 PolarHBondContact O-N 2.71Å; L228-L231 PolarHBondContact O-N 3.42Å; L231-T233 VanDerWaalsContact C-N 3.33Å; L231-T233 PolarHBondContact O-N 3.45Å; L231-W234 PolarHBondContact O-N 2.85Å; L231-I235 HydrophobicContact CD1-CD1 4.41Å; L231-I235 HydrophobicContact CG-CD1 4.06Å; L231-I235 VanDerWaalsContact O-CG1 3.32Å; L231-I235 WeakPolarHBondContact O-CG1 3.21Å; L231-I235 PolarHBondContact O-N 3.13Å; L231-Y446 HydrophobicContact CB-CD2 4.45Å; L231-Y446 HydrophobicContact CB-CE2 3.78Å; L231-Y446 HydrophobicContact CD1-CE2 4.34Å |
| 232 | F | 98.5 | Very high | 96.6 | Very high | 85 Ų | 85 | 47.1 Ų | 47.1 | 37% | 0.373 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -59.7 | -43 | 177 | -176.4 | -114.4 | 0 | 0 | 0 | 112.2 | F146 F150 L228 C229 L230 W234 I235 I236 | F146-F232 AromaticContact CD1-CD1 3.89Å; F146-F232 HydrophobicContact CD1-CD1 3.89Å; F146-F232 AromaticContact CD1-CE1 3.75Å; F146-F232 HydrophobicContact CD1-CE1 3.75Å; F146-F232 HydrophobicContact CD2-CD1 4.38Å; F146-F232 AromaticContact CE1-CD1 3.95Å; F146-F232 HydrophobicContact CE1-CD1 3.95Å; F146-F232 AromaticContact CE1-CE1 3.54Å; F146-F232 HydrophobicContact CE1-CE1 3.54Å; F146-F232 HydrophobicContact CE2-CD1 4.42Å; F146-F232 HydrophobicContact CG-CD1 4.14Å; F146-F232 HydrophobicContact CG-CE1 4.46Å; F146-F232 HydrophobicContact CZ-CD1 4.23Å; F146-F232 HydrophobicContact CZ-CE1 4.06Å; F150-F232 HydrophobicContact CZ-CD1 4.02Å; F150-F232 AromaticContact CZ-CE1 3.88Å; F150-F232 HydrophobicContact CZ-CE1 3.88Å; L228-F232 WeakPolarHBondContact O-CB 3.09Å; L228-F232 PolarHBondContact O-N 3.45Å; C229-F232 PolarHBondContact O-N 3.02Å; L230-F232 VanDerWaalsContact C-N 3.33Å; L230-F232 PolarHBondContact O-N 2.7Å; F232-W234 PolarHBondContact O-N 2.86Å; F232-I235 PolarHBondContact O-N 3.23Å; F232-I236 HydrophobicContact CD1-CD1 3.88Å; F232-I236 HydrophobicContact CE1-CD1 3.43Å; F232-I236 VanDerWaalsContact CE1-CD1 3.43Å; F232-I236 HydrophobicContact CE1-CG1 4.47Å; F232-I236 HydrophobicContact CE2-CD1 4.27Å; F232-I236 HydrophobicContact CG-CD1 4.49Å; F232-I236 HydrophobicContact CZ-CD1 3.65Å; F232-I236 HydrophobicContact CZ-CG1 4.37Å; F232-I236 WeakPolarHBondContact O-CG1 3.27Å; F232-I236 PolarHBondContact O-N 3.19Å |
| 233 | T | 98.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.2 | -48.7 | 175.5 | -56.8 | 0 | 0 | 0 | 0 | 111.2 | T139 L142 F146 C229 L230 L231 I235 I236 I237 | T139-T233 HydrophobicContact CG2-CG2 3.91Å; L142-T233 HydrophobicContact CB-CG2 3.62Å; L142-T233 HydrophobicContact CD2-CG2 3.69Å; L142-T233 HydrophobicContact CG-CG2 4.34Å; F146-T233 WeakPolarHBondContact CD2-OG1 3.44Å; F146-T233 HydrophobicContact CE2-CG2 4.26Å; F146-T233 WeakPolarHBondContact CE2-OG1 3.36Å; C229-T233 WeakPolarHBondContact O-CB 3.23Å; C229-T233 PolarHBondContact O-N 2.92Å; C229-T233 PolarHBondContact O-OG1 2.86Å; L230-T233 WeakPolarHBondContact O-CB 3.33Å; L230-T233 PolarHBondContact O-N 3.3Å; L231-T233 VanDerWaalsContact C-N 3.33Å; L231-T233 PolarHBondContact O-N 3.45Å; T233-I235 VanDerWaalsContact C-N 3.34Å; T233-I235 PolarHBondContact O-N 3.11Å; T233-I236 PolarHBondContact O-N 3.14Å; T233-I237 HydrophobicContact CG2-CD1 3.87Å; T233-I237 WeakPolarHBondContact O-CG1 3.36Å; T233-I237 PolarHBondContact O-N 2.77Å |
| 234 | W | 97.9 | Very high | 95.5 | Very high | 6 Ų | 6 | 45.6 Ų | 45.6 | 2% | 0.023 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66.6 | -33.4 | 178.8 | -80.5 | 110.5 | 0 | 0 | 0 | 113.2 | T139 L230 L231 F232 I237 Y238 M409 V413 C442 Y446 | T139-W234 HydrophobicContact CG2-CD2 4.23Å; T139-W234 HydrophobicContact CG2-CH2 4.07Å; T139-W234 HydrophobicContact CG2-CZ2 3.61Å; T139-W234 WeakPolarHBondContact OG1-CZ2 3.49Å; L230-W234 VanDerWaalsContact O-CD1 3.26Å; L230-W234 PolarHBondContact O-N 3.25Å; L231-W234 PolarHBondContact O-N 2.85Å; F232-W234 PolarHBondContact O-N 2.86Å; W234-I237 HydrophobicContact CD2-CD1 4.45Å; W234-I237 HydrophobicContact CE3-CB 4.32Å; W234-I237 HydrophobicContact CE3-CD1 4.05Å; W234-I237 HydrophobicContact CE3-CG2 4.23Å; W234-I237 HydrophobicContact CZ3-CD1 4.25Å; W234-I237 HydrophobicContact CZ3-CG2 4.17Å; W234-I237 PolarHBondContact O-N 3.42Å; W234-Y238 VanDerWaalsContact O-CB 3.3Å; W234-Y238 WeakPolarHBondContact O-CB 3.46Å; W234-Y238 PolarHBondContact O-N 2.82Å; W234-M409 HydrophobicContact CH2-CE 3.81Å; W234-M409 HydrophobicContact CZ2-CE 4.41Å; W234-M409 HydrophobicContact CZ3-CE 4.31Å; W234-V413 HydrophobicContact CH2-CG2 4.25Å; W234-V413 HydrophobicContact CZ3-CG2 3.9Å; W234-C442 HydrophobicContact CD2-CB 4.36Å; W234-C442 HydrophobicContact CE3-CB 3.71Å; W234-C442 HydrophobicContact CZ3-CB 4.33Å; W234-Y446 AromaticContact CD1-CD2 3.93Å |
| 235 | I | 97.6 | Very high | 95 | Very high | 80 Ų | 80 | 36.4 Ų | 36.4 | 41% | 0.41 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -61.8 | -45.9 | 172.1 | -70.5 | 165.8 | 0 | 0 | 0 | 110.3 | L231 F232 T233 Y238 L239 | L231-I235 HydrophobicContact CD1-CD1 4.41Å; L231-I235 HydrophobicContact CG-CD1 4.06Å; L231-I235 VanDerWaalsContact O-CG1 3.32Å; L231-I235 WeakPolarHBondContact O-CG1 3.21Å; L231-I235 PolarHBondContact O-N 3.13Å; F232-I235 PolarHBondContact O-N 3.23Å; T233-I235 VanDerWaalsContact C-N 3.34Å; T233-I235 PolarHBondContact O-N 3.11Å; I235-Y238 PolarHBondContact O-N 3.16Å; I235-L239 HydrophobicContact CG2-CD1 4.03Å; I235-L239 HydrophobicContact CG2-CG 4.48Å; I235-L239 VanDerWaalsContact O-CG 3.27Å; I235-L239 WeakPolarHBondContact O-CG 3.23Å; I235-L239 PolarHBondContact O-N 3.13Å |
| 236 | I | 96.4 | Very high | 94.4 | Very high | 38 Ų | 38 | 39.6 Ų | 39.6 | 20% | 0.195 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.3 | -49.2 | 177.2 | -70.1 | 170.7 | 0 | 0 | 0 | 110.7 | F146 F232 T233 Y238 L239 C240 I406 | F146-I236 HydrophobicContact CE1-CD1 3.95Å; F146-I236 HydrophobicContact CE2-CD1 4.2Å; F146-I236 HydrophobicContact CZ-CD1 3.43Å; F146-I236 VanDerWaalsContact CZ-CD1 3.43Å; F232-I236 HydrophobicContact CD1-CD1 3.88Å; F232-I236 HydrophobicContact CE1-CD1 3.43Å; F232-I236 VanDerWaalsContact CE1-CD1 3.43Å; F232-I236 HydrophobicContact CE1-CG1 4.47Å; F232-I236 HydrophobicContact CE2-CD1 4.27Å; F232-I236 HydrophobicContact CG-CD1 4.49Å; F232-I236 HydrophobicContact CZ-CD1 3.65Å; F232-I236 HydrophobicContact CZ-CG1 4.37Å; F232-I236 WeakPolarHBondContact O-CG1 3.27Å; F232-I236 PolarHBondContact O-N 3.19Å; T233-I236 PolarHBondContact O-N 3.14Å; I236-Y238 VanDerWaalsContact C-N 3.31Å; I236-Y238 PolarHBondContact O-N 2.94Å; I236-L239 PolarHBondContact O-N 3.42Å; I236-L239 VanDerWaalsContact O-N 3.12Å; I236-C240 PolarHBondContact O-N 3.14Å; I236-C240 PolarHBondContact O-SG 2.66Å; I236-I406 HydrophobicContact CG2-CD1 3.85Å; I236-I406 HydrophobicContact CG2-CG1 4.48Å |
| 237 | I | 95.9 | Very high | 93.7 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -57.9 | -45.1 | 178.9 | -68.1 | 163.7 | 0 | 0 | 0 | 110.8 | T139 T233 W234 L239 C240 I241 M409 V413 | T139-I237 HydrophobicContact CG2-CD1 3.35Å; T233-I237 HydrophobicContact CG2-CD1 3.87Å; T233-I237 WeakPolarHBondContact O-CG1 3.36Å; T233-I237 PolarHBondContact O-N 2.77Å; W234-I237 HydrophobicContact CD2-CD1 4.45Å; W234-I237 HydrophobicContact CE3-CB 4.32Å; W234-I237 HydrophobicContact CE3-CD1 4.05Å; W234-I237 HydrophobicContact CE3-CG2 4.23Å; W234-I237 HydrophobicContact CZ3-CD1 4.25Å; W234-I237 HydrophobicContact CZ3-CG2 4.17Å; W234-I237 PolarHBondContact O-N 3.42Å; I237-L239 PolarHBondContact O-N 3.08Å; I237-C240 WeakPolarHBondContact O-CB 3.4Å; I237-C240 PolarHBondContact O-N 3.38Å; I237-I241 HydrophobicContact CG2-CD1 3.63Å; I237-I241 WeakPolarHBondContact O-CD1 3.31Å; I237-I241 WeakPolarHBondContact O-CG1 3.32Å; I237-I241 PolarHBondContact O-N 2.71Å; I237-M409 HydrophobicContact CD1-CB 3.7Å; I237-M409 HydrophobicContact CD1-CE 4.06Å; I237-M409 HydrophobicContact CD1-CG 3.96Å; I237-M409 HydrophobicContact CG1-CB 4.02Å; I237-V413 HydrophobicContact CG2-CG2 4.15Å |
| 238 | Y | 95.6 | Very high | 93.1 | Very high | 63 Ų | 63 | 40.3 Ų | 40.3 | 25% | 0.247 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57.1 | -49.3 | 174.9 | 171.2 | -99 | 0 | 0 | 0 | 111.5 | W234 I235 I236 C240 I241 W242 V438 | W234-Y238 VanDerWaalsContact O-CB 3.3Å; W234-Y238 WeakPolarHBondContact O-CB 3.46Å; W234-Y238 PolarHBondContact O-N 2.82Å; I235-Y238 PolarHBondContact O-N 3.16Å; I236-Y238 VanDerWaalsContact C-N 3.31Å; I236-Y238 PolarHBondContact O-N 2.94Å; Y238-C240 VanDerWaalsContact C-N 3.27Å; Y238-C240 PolarHBondContact O-N 3.01Å; Y238-I241 PolarHBondContact O-N 3.14Å; Y238-I241 VanDerWaalsContact O-N 3.1Å; Y238-W242 HydrophobicContact CE1-CB 4.2Å; Y238-W242 HydrophobicContact CE1-CD2 4.39Å; Y238-W242 AromaticContact CE1-CE3 3.67Å; Y238-W242 HydrophobicContact CE1-CE3 3.67Å; Y238-W242 HydrophobicContact CE1-CZ3 4.4Å; Y238-W242 HydrophobicContact CE2-CB 4.19Å; Y238-W242 VanDerWaalsContact O-CB 3.28Å; Y238-W242 WeakPolarHBondContact O-CB 3.49Å; Y238-W242 PolarHBondContact O-N 3.27Å; Y238-V438 HydrophobicContact CD2-CB 4.43Å; Y238-V438 HydrophobicContact CD2-CG1 3.9Å; Y238-V438 HydrophobicContact CE2-CB 4.49Å; Y238-V438 HydrophobicContact CE2-CG1 4.4Å |
| 239 | L | 94.2 | Very high | 92.7 | Very high | 75 Ų | 75 | 35.3 Ų | 35.3 | 39% | 0.393 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -64.2 | -28.9 | 178.9 | -67.8 | 174.2 | 0 | 0 | 0 | 113 | I235 I236 I237 W242 | I235-L239 HydrophobicContact CG2-CD1 4.03Å; I235-L239 HydrophobicContact CG2-CG 4.48Å; I235-L239 VanDerWaalsContact O-CG 3.27Å; I235-L239 WeakPolarHBondContact O-CG 3.23Å; I235-L239 PolarHBondContact O-N 3.13Å; I236-L239 PolarHBondContact O-N 3.42Å; I236-L239 VanDerWaalsContact O-N 3.12Å; I237-L239 PolarHBondContact O-N 3.08Å; L239-W242 HydrophobicContact CD2-CD2 4.1Å; L239-W242 HydrophobicContact CD2-CE3 3.92Å; L239-W242 HydrophobicContact CD2-CH2 3.7Å; L239-W242 HydrophobicContact CD2-CZ2 3.89Å; L239-W242 HydrophobicContact CD2-CZ3 3.71Å; L239-W242 PolarHBondContact O-NE1 3Å |
| 240 | C | 92.5 | Very high | 92.3 | Very high | 14 Ų | 14 | 42.6 Ų | 42.6 | 10% | 0.095 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -70.4 | -31.3 | 173.9 | -69.1 | 0 | 0 | 0 | 0 | 112.8 | I236 I237 Y238 S248 I251 | I236-C240 PolarHBondContact O-N 3.14Å; I236-C240 PolarHBondContact O-SG 2.66Å; I237-C240 WeakPolarHBondContact O-CB 3.4Å; I237-C240 PolarHBondContact O-N 3.38Å; Y238-C240 VanDerWaalsContact C-N 3.27Å; Y238-C240 PolarHBondContact O-N 3.01Å; C240-S248 PolarHBondContact O-OG 2.97Å; C240-I251 HydrophobicContact CB-CD1 4.17Å |
| 241 | I | 90.8 | Very high | 92 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -103.3 | -29.3 | -170.9 | -61.9 | 165.5 | 0 | 0 | 0 | 113.5 | I237 Y238 N243 G244 F410 V413 E414 R434 V438 | I237-I241 HydrophobicContact CG2-CD1 3.63Å; I237-I241 WeakPolarHBondContact O-CD1 3.31Å; I237-I241 WeakPolarHBondContact O-CG1 3.32Å; I237-I241 PolarHBondContact O-N 2.71Å; Y238-I241 PolarHBondContact O-N 3.14Å; Y238-I241 VanDerWaalsContact O-N 3.1Å; I241-N243 PolarHBondContact O-N 2.82Å; I241-G244 PolarHBondContact O-N 3.28Å; I241-F410 HydrophobicContact CD1-CD2 4.26Å; I241-F410 HydrophobicContact CG1-CD2 3.42Å; I241-F410 VanDerWaalsContact CG1-CD2 3.42Å; I241-F410 HydrophobicContact CG1-CE2 3.86Å; I241-V413 HydrophobicContact CD1-CB 3.55Å; I241-V413 HydrophobicContact CD1-CG1 3.5Å; I241-V413 VanDerWaalsContact CD1-CG1 3.5Å; I241-V413 HydrophobicContact CD1-CG2 4.4Å; I241-E414 WeakPolarHBondContact CG2-OE2 3.42Å; I241-R434 PolarHBondContact O-NH1 2.81Å; I241-V438 HydrophobicContact CB-CG1 4.21Å; I241-V438 HydrophobicContact CG2-CG1 3.92Å; I241-V438 HydrophobicContact CG2-CG2 4.11Å |
| 242 | W | 87.6 | Confident | 91.7 | Very high | 110 Ų | 110 | 41.7 Ų | 41.7 | 42% | 0.417 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | -36.3 | -166.4 | 68.3 | -24 | 0 | 0 | 0 | 114.2 | Y238 L239 G244 C435 | Y238-W242 HydrophobicContact CE1-CB 4.2Å; Y238-W242 HydrophobicContact CE1-CD2 4.39Å; Y238-W242 AromaticContact CE1-CE3 3.67Å; Y238-W242 HydrophobicContact CE1-CE3 3.67Å; Y238-W242 HydrophobicContact CE1-CZ3 4.4Å; Y238-W242 HydrophobicContact CE2-CB 4.19Å; Y238-W242 VanDerWaalsContact O-CB 3.28Å; Y238-W242 WeakPolarHBondContact O-CB 3.49Å; Y238-W242 PolarHBondContact O-N 3.27Å; L239-W242 HydrophobicContact CD2-CD2 4.1Å; L239-W242 HydrophobicContact CD2-CE3 3.92Å; L239-W242 HydrophobicContact CD2-CH2 3.7Å; L239-W242 HydrophobicContact CD2-CZ2 3.89Å; L239-W242 HydrophobicContact CD2-CZ3 3.71Å; L239-W242 PolarHBondContact O-NE1 3Å; W242-G244 VanDerWaalsContact C-N 3.3Å; W242-G244 PolarHBondContact O-N 2.59Å; W242-C435 PolarHBondContact O-SG 3.49Å |
| 243 | N | 86.8 | Confident | 91.4 | Very high | 67 Ų | 67 | 41 Ų | 41 | 36% | 0.358 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 13.5 | -174.8 | -166.3 | 33.3 | 0 | 0 | 0 | 112.9 | I241 K431 | I241-N243 PolarHBondContact O-N 2.82Å; N243-K431 WeakPolarHBondContact OD1-CE 3.32Å; N243-K431 PolarHBondContact OD1-NZ 2.97Å |
| 244 | G | 86.7 | Confident | 91.2 | Very high | 3 Ų | 3 | 45.3 Ų | 45.3 | 3% | 0.031 | 22% | 0.218 | C | C | . | . | trans | 77.9 | -176.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | I241 W242 K246 S247 S248 | I241-G244 PolarHBondContact O-N 3.28Å; W242-G244 VanDerWaalsContact C-N 3.3Å; W242-G244 PolarHBondContact O-N 2.59Å; G244-K246 PolarHBondContact O-N 3.47Å; G244-K246 VanDerWaalsContact O-N 3.1Å; G244-S247 PolarHBondContact O-N 3.32Å; G244-S247 VanDerWaalsContact O-N 3.1Å; G244-S248 PolarHBondContact O-N 3.16Å; G244-S248 PolarHBondContact O-OG 3.27Å | ||
| 245 | I | 87.2 | Confident | 91.1 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.2 | -28.3 | -166.9 | -160.2 | 58.9 | 0 | 0 | 0 | 112.7 | E43 W45 S247 S248 A249 Y321 F410 E414 | E43-I245 HydrophobicContact CB-CG2 3.62Å; E43-I245 HydrophobicContact CG-CG2 4.46Å; E43-I245 WeakPolarHBondContact OE2-CG2 3.28Å; E43-I245 PolarHBondContact OE2-N 3.08Å; E43-I245 VanDerWaalsContact OE2-N 3.12Å; W45-I245 HydrophobicContact CD2-CG1 4.48Å; W45-I245 HydrophobicContact CE3-CG1 3.88Å; W45-I245 HydrophobicContact CH2-CD1 3.27Å; W45-I245 HydrophobicContact CH2-CG1 3.37Å; W45-I245 HydrophobicContact CZ2-CD1 4.04Å; W45-I245 HydrophobicContact CZ2-CG1 3.99Å; W45-I245 HydrophobicContact CZ3-CD1 3.63Å; W45-I245 HydrophobicContact CZ3-CG1 3.31Å; I245-S247 PolarHBondContact O-N 3.04Å; I245-S248 PolarHBondContact O-N 2.88Å; I245-A249 WeakPolarHBondContact O-CB 3.4Å; I245-A249 PolarHBondContact O-N 2.98Å; I245-Y321 HydrophobicContact CB-CD2 4.44Å; I245-Y321 HydrophobicContact CB-CE1 4.42Å; I245-Y321 HydrophobicContact CB-CE2 4.17Å; I245-Y321 HydrophobicContact CD1-CD2 4.03Å; I245-Y321 HydrophobicContact CD1-CE2 3.84Å; I245-Y321 HydrophobicContact CG1-CD2 3.75Å; I245-Y321 HydrophobicContact CG1-CE2 3.8Å; I245-Y321 HydrophobicContact CG1-CG 4.17Å; I245-Y321 HydrophobicContact CG2-CD1 4.25Å; I245-Y321 HydrophobicContact CG2-CE1 4.24Å; I245-Y321 HydrophobicContact CG2-CG 4.49Å; I245-F410 HydrophobicContact CD1-CZ 3.76Å; I245-E414 HydrophobicContact CD1-CG 4.17Å |
| 246 | K | 84.3 | Confident | 90.9 | Very high | 86 Ų | 86 | 42.1 Ų | 42.1 | 37% | 0.374 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -64.8 | -37 | 179.4 | -67 | 169.8 | -175.6 | 140.3 | 0 | 113.1 | E43 G244 | E43-K246 WeakPolarHBondContact OE1-CD 3.42Å; E43-K246 VanDerWaalsContact OE1-CE 3.29Å; E43-K246 WeakPolarHBondContact OE1-CE 3.38Å; E43-K246 IonicContact OE1-NZ 3.26Å; E43-K246 PolarHBondContact OE1-NZ 2.86Å; G244-K246 PolarHBondContact O-N 3.47Å; G244-K246 VanDerWaalsContact O-N 3.1Å |
| 247 | S | 84.9 | Confident | 90.8 | Very high | 27 Ų | 27 | 44.2 Ų | 44.2 | 19% | 0.189 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -76 | -42.8 | 177.9 | -165.6 | 0 | 0 | 0 | 0 | 109.8 | G244 I245 A249 K250 I251 | G244-S247 PolarHBondContact O-N 3.32Å; G244-S247 VanDerWaalsContact O-N 3.1Å; I245-S247 PolarHBondContact O-N 3.04Å; S247-A249 PolarHBondContact O-N 3.47Å; S247-K250 PolarHBondContact O-N 2.8Å; S247-I251 PolarHBondContact O-N 3.26Å |
| 248 | S | 86.5 | Confident | 90.7 | Very high | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.007 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.1 | -39.8 | -178.8 | -44.4 | 0 | 0 | 0 | 0 | 112.4 | C240 G244 I245 K250 I251 M252 F410 | C240-S248 PolarHBondContact O-OG 2.97Å; G244-S248 PolarHBondContact O-N 3.16Å; G244-S248 PolarHBondContact O-OG 3.27Å; I245-S248 PolarHBondContact O-N 2.88Å; S248-K250 VanDerWaalsContact C-N 3.29Å; S248-K250 PolarHBondContact O-N 2.89Å; S248-I251 PolarHBondContact O-N 2.91Å; S248-I251 VanDerWaalsContact O-N 3.12Å; S248-M252 WeakPolarHBondContact O-CG 3.34Å; S248-M252 PolarHBondContact O-N 3.41Å; S248-F410 WeakPolarHBondContact OG-CE2 3.42Å |
| 249 | A | 88.4 | Confident | 90.7 | Very high | 4 Ų | 4 | 44.8 Ų | 44.8 | 3% | 0.033 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -51.3 | -47.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | W45 D50 I245 S247 I251 M252 Y253 | W45-A249 HydrophobicContact CE3-CB 4.2Å; W45-A249 HydrophobicContact CZ3-CB 3.96Å; D50-A249 HydrophobicContact CB-CB 4.33Å; I245-A249 WeakPolarHBondContact O-CB 3.4Å; I245-A249 PolarHBondContact O-N 2.98Å; S247-A249 PolarHBondContact O-N 3.47Å; A249-I251 PolarHBondContact O-N 3.25Å; A249-M252 PolarHBondContact O-N 2.96Å; A249-Y253 WeakPolarHBondContact O-CD2 3.17Å; A249-Y253 PolarHBondContact O-N 3.01Å |
| 250 | K | 90.8 | Very high | 90.7 | Very high | 160 Ų | 160 | 42.9 Ų | 42.9 | 70% | 0.696 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -65.1 | -38.8 | -179.7 | -65.9 | -179.9 | 179.4 | -176.2 | 0 | 112.7 | S247 S248 | S247-K250 PolarHBondContact O-N 2.8Å; S248-K250 VanDerWaalsContact C-N 3.29Å; S248-K250 PolarHBondContact O-N 2.89Å |
| 251 | I | 92.3 | Very high | 90.7 | Very high | 52 Ų | 52 | 43.8 Ų | 43.8 | 27% | 0.267 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -64.1 | -46.4 | 177.4 | -65.3 | 169.6 | 0 | 0 | 0 | 109.2 | C240 S247 S248 A249 Y253 V254 T255 | C240-I251 HydrophobicContact CB-CD1 4.17Å; S247-I251 PolarHBondContact O-N 3.26Å; S248-I251 PolarHBondContact O-N 2.91Å; S248-I251 VanDerWaalsContact O-N 3.12Å; A249-I251 PolarHBondContact O-N 3.25Å; I251-Y253 VanDerWaalsContact C-N 3.28Å; I251-Y253 PolarHBondContact O-N 3.5Å; I251-V254 PolarHBondContact O-N 3.21Å; I251-T255 HydrophobicContact CG2-CG2 3.76Å; I251-T255 PolarHBondContact O-N 3.3Å; I251-T255 PolarHBondContact O-OG1 3.03Å; I251-T255 VanDerWaalsContact O-OG1 3.04Å |
| 252 | M | 91.9 | Very high | 90.9 | Very high | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.8 | -31.4 | -179.9 | -70.8 | -174.7 | -63.4 | 0 | 0 | 114.2 | W45 I53 A54 S248 A249 V254 T255 A256 F410 | W45-M252 HydrophobicContact CH2-CE 4.07Å; W45-M252 HydrophobicContact CZ3-CE 4.07Å; I53-M252 HydrophobicContact CG2-CB 4.03Å; A54-M252 HydrophobicContact CB-CE 3.45Å; A54-M252 VanDerWaalsContact CB-CE 3.45Å; A54-M252 HydrophobicContact CB-SD 3.81Å; S248-M252 WeakPolarHBondContact O-CG 3.34Å; S248-M252 PolarHBondContact O-N 3.41Å; A249-M252 PolarHBondContact O-N 2.96Å; M252-V254 PolarHBondContact O-N 3.17Å; M252-T255 VanDerWaalsContact CA-OG1 3.25Å; M252-T255 WeakPolarHBondContact CA-OG1 3.41Å; M252-A256 WeakPolarHBondContact O-CB 3.39Å; M252-A256 PolarHBondContact O-N 3.18Å; M252-F410 HydrophobicContact CE-CD1 4.36Å; M252-F410 HydrophobicContact CE-CE1 3.67Å; M252-F410 HydrophobicContact CE-CZ 4.34Å; M252-F410 HydrophobicContact CG-CD1 4.14Å; M252-F410 HydrophobicContact CG-CE1 4.37Å; M252-F410 HydrophobicContact SD-CD1 3.47Å; M252-F410 WeakPolarHBondContact SD-CD1 3.3Å; M252-F410 HydrophobicContact SD-CE1 3.32Å; M252-F410 WeakPolarHBondContact SD-CE1 3.35Å; M252-F410 HydrophobicContact SD-CZ 4.45Å |
| 253 | Y | 93.8 | Very high | 91.1 | Very high | 71 Ų | 71 | 40 Ų | 40 | 28% | 0.278 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -59.2 | -35.1 | 172.7 | -81.7 | -87 | 0 | 0 | 0 | 112.6 | I49 D50 I53 A249 I251 L257 | I49-Y253 HydrophobicContact CD1-CE1 3.94Å; I49-Y253 HydrophobicContact CG1-CE1 3.95Å; I49-Y253 WeakPolarHBondContact CG1-OH 3.5Å; D50-Y253 WeakPolarHBondContact OD1-CE2 3.31Å; D50-Y253 PolarHBondContact OD1-OH 3.02Å; I53-Y253 HydrophobicContact CG1-CD1 4.1Å; I53-Y253 HydrophobicContact CG1-CE1 3.78Å; I53-Y253 HydrophobicContact CG2-CD1 4.47Å; I53-Y253 HydrophobicContact CG2-CG 4.38Å; A249-Y253 WeakPolarHBondContact O-CD2 3.17Å; A249-Y253 PolarHBondContact O-N 3.01Å; I251-Y253 VanDerWaalsContact C-N 3.28Å; I251-Y253 PolarHBondContact O-N 3.5Å; Y253-L257 VanDerWaalsContact O-CB 3.32Å; Y253-L257 WeakPolarHBondContact O-CB 3.42Å; Y253-L257 VanDerWaalsContact O-CD1 3.27Å; Y253-L257 WeakPolarHBondContact O-CD1 3.41Å; Y253-L257 VanDerWaalsContact O-CG 3.23Å; Y253-L257 WeakPolarHBondContact O-CG 3.26Å |
| 254 | V | 94 | Very high | 91.5 | Very high | 90 Ų | 90 | 40.9 Ų | 40.9 | 55% | 0.545 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -83.4 | -51.8 | 178.1 | -179.7 | 0 | 0 | 0 | 0 | 109.7 | I251 M252 A256 L257 L258 | I251-V254 PolarHBondContact O-N 3.21Å; M252-V254 PolarHBondContact O-N 3.17Å; V254-A256 PolarHBondContact O-N 3.41Å; V254-L257 PolarHBondContact O-N 3.24Å; V254-L258 WeakPolarHBondContact O-CB 3.26Å; V254-L258 PolarHBondContact O-N 2.83Å |
| 255 | T | 94.6 | Very high | 91.8 | Very high | 12 Ų | 12 | 44.6 Ų | 44.6 | 7% | 0.074 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -70.1 | -31.8 | -171.6 | 50.3 | 0 | 0 | 0 | 0 | 113.2 | I251 M252 P259 L403 D407 | I251-T255 HydrophobicContact CG2-CG2 3.76Å; I251-T255 PolarHBondContact O-N 3.3Å; I251-T255 PolarHBondContact O-OG1 3.03Å; I251-T255 VanDerWaalsContact O-OG1 3.04Å; M252-T255 VanDerWaalsContact CA-OG1 3.25Å; M252-T255 WeakPolarHBondContact CA-OG1 3.41Å; T255-P259 WeakPolarHBondContact O-CD 3.48Å; T255-P259 WeakPolarHBondContact O-CG 3.36Å; T255-L403 HydrophobicContact CG2-CD2 3.81Å; T255-D407 VanDerWaalsContact CB-OD1 3.25Å; T255-D407 WeakPolarHBondContact CB-OD1 3.5Å; T255-D407 WeakPolarHBondContact CB-OD2 3.5Å; T255-D407 VanDerWaalsContact OG1-CG 3.24Å; T255-D407 PolarHBondContact OG1-OD1 3.33Å; T255-D407 PolarHBondContact OG1-OD2 3.32Å |
| 256 | A | 93.9 | Very high | 92 | Very high | 8 Ų | 8 | 44.9 Ų | 44.9 | 7% | 0.066 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -29.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | I53 M252 V254 Y260 D407 | I53-A256 HydrophobicContact CG2-CB 4.38Å; M252-A256 WeakPolarHBondContact O-CB 3.39Å; M252-A256 PolarHBondContact O-N 3.18Å; V254-A256 PolarHBondContact O-N 3.41Å; A256-Y260 WeakPolarHBondContact O-CE2 3.45Å; A256-D407 VanDerWaalsContact CA-OD2 3.23Å; A256-D407 WeakPolarHBondContact CA-OD2 3.44Å; A256-D407 PolarHBondContact N-OD2 2.86Å |
| 257 | L | 93.6 | Very high | 92.4 | Very high | 82 Ų | 82 | 42.8 Ų | 42.8 | 43% | 0.429 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -34.8 | -177.9 | -63.2 | -178.5 | 0 | 0 | 0 | 113 | I53 Y253 V254 P259 Y260 | I53-L257 HydrophobicContact CD1-CD2 4.27Å; Y253-L257 VanDerWaalsContact O-CB 3.32Å; Y253-L257 WeakPolarHBondContact O-CB 3.42Å; Y253-L257 VanDerWaalsContact O-CD1 3.27Å; Y253-L257 WeakPolarHBondContact O-CD1 3.41Å; Y253-L257 VanDerWaalsContact O-CG 3.23Å; Y253-L257 WeakPolarHBondContact O-CG 3.26Å; V254-L257 PolarHBondContact O-N 3.24Å; L257-P259 VanDerWaalsContact C-CD 3.49Å; L257-Y260 WeakPolarHBondContact O-CB 3.34Å; L257-Y260 PolarHBondContact O-N 2.94Å |
| 258 | L | 95 | Very high | 92.9 | Very high | 76 Ų | 76 | 46.3 Ų | 46.3 | 40% | 0.398 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62.7 | -34.8 | -176.5 | -173.8 | 58.4 | 0 | 0 | 0 | 114.5 | V254 Y260 G261 F262 L403 | V254-L258 WeakPolarHBondContact O-CB 3.26Å; V254-L258 PolarHBondContact O-N 2.83Å; L258-Y260 PolarHBondContact O-N 3.14Å; L258-G261 WeakPolarHBondContact O-CA 3.41Å; L258-G261 PolarHBondContact O-N 2.89Å; L258-F262 HydrophobicContact CD1-CE2 4.2Å; L258-F262 HydrophobicContact CD2-CE2 4.02Å; L258-F262 HydrophobicContact CG-CD2 4.12Å; L258-F262 HydrophobicContact CG-CE2 3.68Å; L258-F262 PolarHBondContact O-N 3.42Å; L258-L403 HydrophobicContact CB-CD1 4.05Å; L258-L403 HydrophobicContact CD2-CD1 3.65Å; L258-L403 HydrophobicContact CG-CD1 3.9Å |
| 259 | P | 94.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -54.7 | -32.8 | 173.1 | -30.3 | 37.1 | 0 | 0 | 0 | 114.1 | T255 L257 G261 F262 M263 M400 L403 L404 | T255-P259 WeakPolarHBondContact O-CD 3.48Å; T255-P259 WeakPolarHBondContact O-CG 3.36Å; L257-P259 VanDerWaalsContact C-CD 3.49Å; P259-G261 VanDerWaalsContact C-N 3.33Å; P259-G261 PolarHBondContact O-N 3.2Å; P259-F262 PolarHBondContact O-N 3.1Å; P259-M263 WeakPolarHBondContact O-CB 3.16Å; P259-M263 WeakPolarHBondContact O-CG 3.4Å; P259-M263 PolarHBondContact O-N 2.7Å; P259-M400 HydrophobicContact CB-CG 4.13Å; P259-L403 HydrophobicContact CG-CB 3.93Å; P259-L404 HydrophobicContact CB-CD1 4.45Å; P259-L404 HydrophobicContact CB-CD2 3.67Å; P259-L404 HydrophobicContact CB-CG 3.9Å; P259-L404 HydrophobicContact CG-CD2 3.78Å; P259-L404 HydrophobicContact CG-CG 3.92Å |
| 260 | Y | 94.2 | Very high | 93.4 | Very high | 35 Ų | 35 | 49.5 Ų | 49.5 | 14% | 0.137 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.9 | -39.7 | 174.5 | -68.9 | -83.5 | 0 | 0 | 0 | 112.2 | I60 A256 L257 L258 M263 I264 V338 T342 L345 | I60-Y260 WeakPolarHBondContact CD1-OH 3.38Å; A256-Y260 WeakPolarHBondContact O-CE2 3.45Å; L257-Y260 WeakPolarHBondContact O-CB 3.34Å; L257-Y260 PolarHBondContact O-N 2.94Å; L258-Y260 PolarHBondContact O-N 3.14Å; Y260-M263 HydrophobicContact CD1-CE 3.64Å; Y260-M263 HydrophobicContact CE1-CE 3.98Å; Y260-M263 HydrophobicContact CG-CE 4.05Å; Y260-M263 PolarHBondContact O-N 2.92Å; Y260-I264 WeakPolarHBondContact O-CB 3.35Å; Y260-I264 WeakPolarHBondContact O-CD1 3.45Å; Y260-I264 WeakPolarHBondContact O-CG1 3.32Å; Y260-I264 PolarHBondContact O-N 3.33Å; Y260-V338 WeakPolarHBondContact OH-CG1 3.44Å; Y260-T342 HydrophobicContact CE1-CG2 3.91Å; Y260-T342 VanDerWaalsContact CE1-OG1 3.27Å; Y260-T342 WeakPolarHBondContact CE1-OG1 3.29Å; Y260-T342 PolarHBondContact OH-OG1 3.44Å; Y260-L345 HydrophobicContact CD1-CD2 4.34Å |
| 261 | G | 94.1 | Very high | 93.6 | Very high | 32 Ų | 32 | 44.4 Ų | 44.4 | 33% | 0.33 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -58.9 | -48.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | L258 P259 I264 I265 | L258-G261 WeakPolarHBondContact O-CA 3.41Å; L258-G261 PolarHBondContact O-N 2.89Å; P259-G261 VanDerWaalsContact C-N 3.33Å; P259-G261 PolarHBondContact O-N 3.2Å; G261-I264 PolarHBondContact O-N 3.1Å; G261-I265 WeakPolarHBondContact O-CB 3.37Å; G261-I265 WeakPolarHBondContact O-CD1 3.42Å; G261-I265 VanDerWaalsContact O-CG1 3.24Å; G261-I265 WeakPolarHBondContact O-CG1 3.29Å; G261-I265 PolarHBondContact O-N 2.87Å |
| 262 | F | 93.6 | Very high | 93.8 | Very high | 28 Ų | 28 | 48.3 Ų | 48.3 | 12% | 0.123 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.4 | -43.7 | 176.4 | -71.4 | -59.8 | 0 | 0 | 0 | 112.8 | L258 P259 I264 I265 L266 C396 I399 M400 L403 | L258-F262 HydrophobicContact CD1-CE2 4.2Å; L258-F262 HydrophobicContact CD2-CE2 4.02Å; L258-F262 HydrophobicContact CG-CD2 4.12Å; L258-F262 HydrophobicContact CG-CE2 3.68Å; L258-F262 PolarHBondContact O-N 3.42Å; P259-F262 PolarHBondContact O-N 3.1Å; F262-I264 PolarHBondContact O-N 2.98Å; F262-I265 PolarHBondContact O-N 3.2Å; F262-L266 WeakPolarHBondContact O-CB 3.42Å; F262-L266 VanDerWaalsContact O-CG 3.29Å; F262-L266 WeakPolarHBondContact O-CG 3.22Å; F262-L266 PolarHBondContact O-N 3.04Å; F262-C396 HydrophobicContact CD1-CB 3.76Å; F262-C396 HydrophobicContact CE1-CB 3.81Å; F262-I399 HydrophobicContact CE2-CB 4.35Å; F262-I399 HydrophobicContact CE2-CG2 3.56Å; F262-I399 HydrophobicContact CZ-CB 4.32Å; F262-I399 HydrophobicContact CZ-CG2 3.78Å; F262-M400 HydrophobicContact CB-CB 3.84Å; F262-M400 HydrophobicContact CB-CG 4Å; F262-M400 HydrophobicContact CB-SD 4.01Å; F262-M400 HydrophobicContact CD2-CB 4.03Å; F262-M400 HydrophobicContact CG-CB 4.12Å; F262-L403 HydrophobicContact CD2-CD1 4.43Å; F262-L403 HydrophobicContact CE2-CD1 4.01Å |
| 263 | M | 92.7 | Very high | 93.8 | Very high | 3 Ų | 3 | 49.4 Ų | 49.4 | 2% | 0.015 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.5 | -43.2 | 176.8 | -76.6 | -170.7 | -68.8 | 0 | 0 | 112 | P259 Y260 L266 L267 T342 L345 S346 V349 M400 | P259-M263 WeakPolarHBondContact O-CB 3.16Å; P259-M263 WeakPolarHBondContact O-CG 3.4Å; P259-M263 PolarHBondContact O-N 2.7Å; Y260-M263 HydrophobicContact CD1-CE 3.64Å; Y260-M263 HydrophobicContact CE1-CE 3.98Å; Y260-M263 HydrophobicContact CG-CE 4.05Å; Y260-M263 PolarHBondContact O-N 2.92Å; M263-L266 PolarHBondContact O-N 3.48Å; M263-L267 VanDerWaalsContact O-CB 3.26Å; M263-L267 WeakPolarHBondContact O-CB 3.31Å; M263-L267 PolarHBondContact O-N 3.06Å; M263-T342 HydrophobicContact CE-CG2 3.85Å; M263-T342 HydrophobicContact SD-CG2 4.42Å; M263-L345 HydrophobicContact CB-CD2 4.48Å; M263-L345 HydrophobicContact CE-CD2 4.34Å; M263-S346 PolarHBondContact SD-OG 2.86Å; M263-V349 HydrophobicContact CB-CG2 4.32Å; M263-V349 WeakPolarHBondContact O-CG2 3.36Å; M263-M400 HydrophobicContact CG-SD 3.62Å |
| 264 | I | 94.8 | Very high | 93.9 | Very high | 85 Ų | 85 | 51.4 Ų | 51.4 | 44% | 0.436 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -66.3 | -45.2 | 178.2 | -68.6 | 165.2 | 0 | 0 | 0 | 110.7 | Y260 G261 F262 L266 L267 I268 | Y260-I264 WeakPolarHBondContact O-CB 3.35Å; Y260-I264 WeakPolarHBondContact O-CD1 3.45Å; Y260-I264 WeakPolarHBondContact O-CG1 3.32Å; Y260-I264 PolarHBondContact O-N 3.33Å; G261-I264 PolarHBondContact O-N 3.1Å; F262-I264 PolarHBondContact O-N 2.98Å; I264-L266 PolarHBondContact O-N 2.87Å; I264-L267 PolarHBondContact O-N 3.33Å; I264-I268 HydrophobicContact CG2-CD1 3.85Å; I264-I268 HydrophobicContact CG2-CG1 4.46Å; I264-I268 VanDerWaalsContact O-CG1 3.31Å; I264-I268 WeakPolarHBondContact O-CG1 3.18Å; I264-I268 PolarHBondContact O-N 3.41Å |
| 265 | I | 92.6 | Very high | 93.9 | Very high | 81 Ų | 81 | 47.9 Ų | 47.9 | 42% | 0.415 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -59.4 | -47.1 | 177.2 | -72.6 | 166.6 | 0 | 0 | 0 | 110.7 | G261 F262 I268 R269 W393 | G261-I265 WeakPolarHBondContact O-CB 3.37Å; G261-I265 WeakPolarHBondContact O-CD1 3.42Å; G261-I265 VanDerWaalsContact O-CG1 3.24Å; G261-I265 WeakPolarHBondContact O-CG1 3.29Å; G261-I265 PolarHBondContact O-N 2.87Å; F262-I265 PolarHBondContact O-N 3.2Å; I265-I268 PolarHBondContact O-N 3.45Å; I265-R269 PolarHBondContact O-N 3.16Å; I265-W393 HydrophobicContact CG2-CH2 4.5Å; I265-W393 HydrophobicContact CG2-CZ3 3.81Å |
| 266 | L | 91.4 | Very high | 94 | Very high | 8 Ų | 8 | 47.3 Ų | 47.3 | 4% | 0.042 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.7 | -38.7 | 177.2 | -71.7 | 173.3 | 0 | 0 | 0 | 111.8 | F262 M263 I264 R269 T270 V349 W393 F397 M400 | F262-L266 WeakPolarHBondContact O-CB 3.42Å; F262-L266 VanDerWaalsContact O-CG 3.29Å; F262-L266 WeakPolarHBondContact O-CG 3.22Å; F262-L266 PolarHBondContact O-N 3.04Å; M263-L266 PolarHBondContact O-N 3.48Å; I264-L266 PolarHBondContact O-N 2.87Å; L266-R269 PolarHBondContact O-N 3.41Å; L266-T270 VanDerWaalsContact O-CB 3.32Å; L266-T270 WeakPolarHBondContact O-CB 3.4Å; L266-T270 WeakPolarHBondContact O-CG2 3.4Å; L266-T270 PolarHBondContact O-N 3.41Å; L266-T270 PolarHBondContact O-OG1 3.19Å; L266-V349 HydrophobicContact CB-CG1 4.01Å; L266-W393 HydrophobicContact CD2-CE3 4.07Å; L266-F397 HydrophobicContact CD1-CD2 4.22Å; L266-M400 HydrophobicContact CD1-CE 4.26Å; L266-M400 HydrophobicContact CD1-SD 4.24Å |
| 267 | L | 94 | Very high | 94.2 | Very high | 41 Ų | 41 | 52.5 Ų | 52.5 | 22% | 0.215 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.9 | -49.9 | 176.1 | -176.9 | 57.8 | 0 | 0 | 0 | 111.2 | M263 I264 R269 T270 A271 L345 C348 V349 | M263-L267 VanDerWaalsContact O-CB 3.26Å; M263-L267 WeakPolarHBondContact O-CB 3.31Å; M263-L267 PolarHBondContact O-N 3.06Å; I264-L267 PolarHBondContact O-N 3.33Å; L267-R269 VanDerWaalsContact C-N 3.28Å; L267-R269 PolarHBondContact O-N 2.89Å; L267-T270 PolarHBondContact O-N 2.93Å; L267-T270 PolarHBondContact O-OG1 2.87Å; L267-A271 WeakPolarHBondContact O-CB 3.32Å; L267-A271 PolarHBondContact O-N 3.16Å; L267-L345 HydrophobicContact CD2-CD1 3.73Å; L267-C348 HydrophobicContact CD1-CB 3.92Å; L267-V349 HydrophobicContact CB-CG2 3.84Å; L267-V349 HydrophobicContact CD1-CG2 4.3Å |
| 268 | I | 95 | Very high | 94.3 | Very high | 102 Ų | 102 | 53.2 Ų | 53.2 | 52% | 0.523 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -58.2 | -46.2 | 178.6 | -68.1 | 166.3 | 0 | 0 | 0 | 109.5 | I264 I265 L272 | I264-I268 HydrophobicContact CG2-CD1 3.85Å; I264-I268 HydrophobicContact CG2-CG1 4.46Å; I264-I268 VanDerWaalsContact O-CG1 3.31Å; I264-I268 WeakPolarHBondContact O-CG1 3.18Å; I264-I268 PolarHBondContact O-N 3.41Å; I265-I268 PolarHBondContact O-N 3.45Å; I268-L272 HydrophobicContact CG2-CD1 4.23Å; I268-L272 WeakPolarHBondContact O-CD1 3.38Å; I268-L272 VanDerWaalsContact O-CG 3.22Å; I268-L272 WeakPolarHBondContact O-CG 3.48Å |
| 269 | R | 92 | Very high | 94.3 | Very high | 69 Ų | 69 | 49.6 Ų | 49.6 | 26% | 0.26 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.9 | -48.2 | -179.7 | 178.2 | 56.9 | -174.8 | 152.8 | 1.2 | 112.1 | I265 L266 L267 M387 W393 | I265-R269 PolarHBondContact O-N 3.16Å; L266-R269 PolarHBondContact O-N 3.41Å; L267-R269 VanDerWaalsContact C-N 3.28Å; L267-R269 PolarHBondContact O-N 2.89Å; R269-M387 HydrophobicContact CG-SD 4.43Å; R269-W393 HydrophobicContact CB-CH2 3.89Å; R269-W393 HydrophobicContact CB-CZ2 4.47Å; R269-W393 HydrophobicContact CB-CZ3 4.05Å; R269-W393 HydrophobicContact CG-CH2 3.76Å; R269-W393 HydrophobicContact CG-CZ2 3.83Å; R269-W393 HydrophobicContact CG-CZ3 4.1Å |
| 270 | T | 92.5 | Very high | 94.5 | Very high | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.012 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -76.7 | -35.3 | -172.7 | 54.9 | 0 | 0 | 0 | 0 | 112.5 | L266 L267 L272 L273 A276 T353 M387 | L266-T270 VanDerWaalsContact O-CB 3.32Å; L266-T270 WeakPolarHBondContact O-CB 3.4Å; L266-T270 WeakPolarHBondContact O-CG2 3.4Å; L266-T270 PolarHBondContact O-N 3.41Å; L266-T270 PolarHBondContact O-OG1 3.19Å; L267-T270 PolarHBondContact O-N 2.93Å; L267-T270 PolarHBondContact O-OG1 2.87Å; T270-L272 PolarHBondContact O-N 3.47Å; T270-L273 WeakPolarHBondContact O-CB 3.4Å; T270-L273 PolarHBondContact O-N 3.4Å; T270-L273 VanDerWaalsContact O-N 3.12Å; T270-A276 WeakPolarHBondContact O-CB 3.35Å; T270-T353 VanDerWaalsContact CG2-OG1 3.26Å; T270-T353 WeakPolarHBondContact CG2-OG1 3.05Å; T270-M387 HydrophobicContact CG2-CE 4.15Å |
| 271 | A | 95.7 | Very high | 94.6 | Very high | 54 Ų | 54 | 54 Ų | 54 | 45% | 0.446 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65.3 | -22.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L267 L273 | L267-A271 WeakPolarHBondContact O-CB 3.32Å; L267-A271 PolarHBondContact O-N 3.16Å; A271-L273 VanDerWaalsContact C-N 3.34Å |
| 272 | L | 95.4 | Very high | 94.7 | Very high | 133 Ų | 133 | 56.9 Ų | 56.9 | 70% | 0.696 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -1.8 | 176.2 | -67.1 | 173.1 | 0 | 0 | 0 | 113.7 | I268 T270 | I268-L272 HydrophobicContact CG2-CD1 4.23Å; I268-L272 WeakPolarHBondContact O-CD1 3.38Å; I268-L272 VanDerWaalsContact O-CG 3.22Å; I268-L272 WeakPolarHBondContact O-CG 3.48Å; T270-L272 PolarHBondContact O-N 3.47Å |
| 273 | L | 93.7 | Very high | 94.8 | Very high | 26 Ų | 26 | 55.6 Ų | 55.6 | 14% | 0.136 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -90.4 | 150.4 | 178.7 | -61.1 | 175.3 | 0 | 0 | 0 | 111.5 | T270 A271 A276 Y356 M387 | T270-L273 WeakPolarHBondContact O-CB 3.4Å; T270-L273 PolarHBondContact O-N 3.4Å; T270-L273 VanDerWaalsContact O-N 3.12Å; A271-L273 VanDerWaalsContact C-N 3.34Å; L273-A276 VanDerWaalsContact O-CB 3.24Å; L273-A276 WeakPolarHBondContact O-CB 3.49Å; L273-A276 PolarHBondContact O-N 3.5Å; L273-Y356 HydrophobicContact CB-CD2 3.56Å; L273-Y356 HydrophobicContact CB-CE2 4.14Å; L273-Y356 HydrophobicContact CB-CG 3.82Å; L273-Y356 HydrophobicContact CD1-CD1 3.68Å; L273-Y356 HydrophobicContact CD1-CD2 4.02Å; L273-Y356 HydrophobicContact CD1-CE1 3.87Å; L273-Y356 HydrophobicContact CD1-CE2 4.2Å; L273-Y356 HydrophobicContact CD1-CG 3.74Å; L273-Y356 HydrophobicContact CD2-CE2 4.48Å; L273-Y356 HydrophobicContact CG-CD2 4.29Å; L273-Y356 HydrophobicContact CG-CG 4.39Å; L273-M387 HydrophobicContact CD1-CE 3.73Å; L273-M387 HydrophobicContact CD1-SD 4.3Å |
| 274 | D | 95 | Very high | 95 | Very high | 112 Ų | 112 | 59 Ų | 59 | 60% | 0.599 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | 138.2 | 178.7 | -63.1 | -48.4 | 0 | 0 | 0 | 111.7 | A276 Y356 Y359 | D274-A276 PolarHBondContact O-N 3.32Å; D274-Y356 WeakPolarHBondContact O-CA 3.35Å; D274-Y356 WeakPolarHBondContact O-CD2 3.44Å; D274-Y359 HydrophobicContact CB-CD1 3.72Å; D274-Y359 HydrophobicContact CB-CE1 3.47Å; D274-Y359 VanDerWaalsContact CB-CE1 3.47Å |
| 275 | G | 94.9 | Very high | 95.1 | Very high | 16 Ų | 16 | 61.4 Ų | 61.4 | 17% | 0.165 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.8 | -10.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | L277 N278 G279 G355 | G275-L277 VanDerWaalsContact C-N 3.25Å; G275-L277 PolarHBondContact O-N 3.45Å; G275-N278 WeakPolarHBondContact O-CB 3.44Å; G275-N278 PolarHBondContact O-N 3.15Å; G275-G279 PolarHBondContact O-N 3.38Å; G275-G355 CarbonylContact O-C 3.3Å; G275-G355 VanDerWaalsContact O-C 3.3Å; G275-G355 WeakPolarHBondContact O-CA 3.42Å |
| 276 | A | 96.4 | Very high | 95.3 | Very high | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.008 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -55.9 | -40 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | T270 L273 D274 N278 G279 L280 C352 | T270-A276 WeakPolarHBondContact O-CB 3.35Å; L273-A276 VanDerWaalsContact O-CB 3.24Å; L273-A276 WeakPolarHBondContact O-CB 3.49Å; L273-A276 PolarHBondContact O-N 3.5Å; D274-A276 PolarHBondContact O-N 3.32Å; A276-N278 VanDerWaalsContact C-N 3.28Å; A276-N278 PolarHBondContact O-N 2.89Å; A276-G279 PolarHBondContact O-N 3.22Å; A276-G279 VanDerWaalsContact O-N 3.15Å; A276-L280 PolarHBondContact O-N 3.43Å; A276-C352 WeakPolarHBondContact CA-O 3.25Å; A276-C352 HydrophobicContact CB-CB 4.08Å |
| 277 | L | 97 | Very high | 95.6 | Very high | 116 Ų | 116 | 63.1 Ų | 63.1 | 61% | 0.607 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -58.4 | -37.4 | 176.1 | -179.7 | 61 | 0 | 0 | 0 | 112.6 | G275 G279 L280 I281 | G275-L277 VanDerWaalsContact C-N 3.25Å; G275-L277 PolarHBondContact O-N 3.45Å; L277-G279 VanDerWaalsContact C-N 3.33Å; L277-G279 PolarHBondContact O-N 3.26Å; L277-L280 PolarHBondContact O-N 3.36Å; L277-I281 HydrophobicContact CD1-CD1 4.25Å; L277-I281 HydrophobicContact CD1-CG1 4.29Å; L277-I281 HydrophobicContact CG-CD1 3.95Å; L277-I281 HydrophobicContact CG-CG1 4.43Å; L277-I281 VanDerWaalsContact O-CG1 3.31Å; L277-I281 WeakPolarHBondContact O-CG1 3.46Å; L277-I281 PolarHBondContact O-N 3.3Å |
| 278 | N | 95.9 | Very high | 95.8 | Very high | 97 Ų | 97 | 68.5 Ų | 68.5 | 52% | 0.519 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64.5 | -40.8 | 178.4 | -70.4 | -26.6 | 0 | 0 | 0 | 111.1 | G275 A276 I281 Q282 | G275-N278 WeakPolarHBondContact O-CB 3.44Å; G275-N278 PolarHBondContact O-N 3.15Å; A276-N278 VanDerWaalsContact C-N 3.28Å; A276-N278 PolarHBondContact O-N 2.89Å; N278-I281 PolarHBondContact O-N 2.91Å; N278-Q282 VanDerWaalsContact O-CG 3.27Å; N278-Q282 WeakPolarHBondContact O-CG 3.48Å; N278-Q282 PolarHBondContact O-N 3.45Å |
| 279 | G | 96.4 | Very high | 95.9 | Very high | 1 Ų | 1 | 67.2 Ų | 67.2 | 1% | 0.01 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.7 | -45.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | G275 A276 L277 I281 Q282 Y283 F351 | G275-G279 PolarHBondContact O-N 3.38Å; A276-G279 PolarHBondContact O-N 3.22Å; A276-G279 VanDerWaalsContact O-N 3.15Å; L277-G279 VanDerWaalsContact C-N 3.33Å; L277-G279 PolarHBondContact O-N 3.26Å; G279-I281 VanDerWaalsContact C-N 3.34Å; G279-I281 PolarHBondContact O-N 3.02Å; G279-Q282 PolarHBondContact O-N 2.91Å; G279-Y283 PolarHBondContact O-N 3.49Å; G279-F351 VanDerWaalsContact CA-O 3.31Å; G279-F351 WeakPolarHBondContact CA-O 3.38Å |
| 280 | L | 96.7 | Very high | 96.2 | Very high | 49 Ų | 49 | 67.1 Ų | 67.1 | 26% | 0.257 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.9 | -40.5 | 176.8 | -176 | 61.8 | 0 | 0 | 0 | 112.7 | A276 L277 Y283 L284 C348 | A276-L280 PolarHBondContact O-N 3.43Å; L277-L280 PolarHBondContact O-N 3.36Å; L280-Y283 HydrophobicContact CD1-CD1 4.17Å; L280-Y283 WeakPolarHBondContact O-CB 3.46Å; L280-Y283 PolarHBondContact O-N 3.03Å; L280-L284 HydrophobicContact CD1-CD1 4.14Å; L280-L284 PolarHBondContact O-N 3.3Å; L280-C348 HydrophobicContact CD1-CB 4.31Å |
| 281 | I | 97.6 | Very high | 96.4 | Very high | 79 Ų | 79 | 69.2 Ų | 69.2 | 41% | 0.405 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.3 | -47.1 | 174.3 | -70.6 | 167.5 | 0 | 0 | 0 | 110.2 | L277 N278 G279 Y283 L284 K285 | L277-I281 HydrophobicContact CD1-CD1 4.25Å; L277-I281 HydrophobicContact CD1-CG1 4.29Å; L277-I281 HydrophobicContact CG-CD1 3.95Å; L277-I281 HydrophobicContact CG-CG1 4.43Å; L277-I281 VanDerWaalsContact O-CG1 3.31Å; L277-I281 WeakPolarHBondContact O-CG1 3.46Å; L277-I281 PolarHBondContact O-N 3.3Å; N278-I281 PolarHBondContact O-N 2.91Å; G279-I281 VanDerWaalsContact C-N 3.34Å; G279-I281 PolarHBondContact O-N 3.02Å; I281-Y283 VanDerWaalsContact C-N 3.26Å; I281-Y283 PolarHBondContact O-N 3.22Å; I281-L284 PolarHBondContact O-N 2.68Å; I281-K285 HydrophobicContact CG2-CB 4.37Å; I281-K285 HydrophobicContact CG2-CD 4.44Å; I281-K285 WeakPolarHBondContact O-CA 3.47Å; I281-K285 WeakPolarHBondContact O-CB 3.3Å; I281-K285 PolarHBondContact O-N 3.09Å |
| 282 | Q | 94.8 | Very high | 96.5 | Very high | 92 Ų | 92 | 72.8 Ų | 72.8 | 43% | 0.43 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -63.9 | -32.1 | 180 | -70.3 | -67.4 | -27.3 | 0 | 0 | 112.9 | Y73 N278 G279 L365 | Y73-Q282 HydrophobicContact CD2-CB 4.49Å; Y73-Q282 HydrophobicContact CE2-CB 4.15Å; N278-Q282 VanDerWaalsContact O-CG 3.27Å; N278-Q282 WeakPolarHBondContact O-CG 3.48Å; N278-Q282 PolarHBondContact O-N 3.45Å; G279-Q282 PolarHBondContact O-N 2.91Å; Q282-L365 HydrophobicContact CB-CD2 3.43Å; Q282-L365 VanDerWaalsContact CB-CD2 3.43Å; Q282-L365 HydrophobicContact CG-CD2 3.83Å |
| 283 | Y | 96.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -65.8 | -43.3 | 175.1 | 172.3 | -132.2 | 0 | 0 | 0 | 113.1 | F68 C72 G77 G279 L280 I281 L344 F351 | F68-Y283 WeakPolarHBondContact CE1-OH 3.41Å; C72-Y283 HydrophobicContact CB-CD2 4.15Å; C72-Y283 HydrophobicContact CB-CE2 3.65Å; C72-Y283 WeakPolarHBondContact SG-CE2 3.49Å; G77-Y283 CarbonylContact C-O 3.56Å; G77-Y283 WeakPolarHBondContact CA-O 3.21Å; G279-Y283 PolarHBondContact O-N 3.49Å; L280-Y283 HydrophobicContact CD1-CD1 4.17Å; L280-Y283 WeakPolarHBondContact O-CB 3.46Å; L280-Y283 PolarHBondContact O-N 3.03Å; I281-Y283 VanDerWaalsContact C-N 3.26Å; I281-Y283 PolarHBondContact O-N 3.22Å; Y283-L344 PolarHBondContact OH-O 3.12Å; Y283-F351 AromaticContact CD2-CD2 3.76Å; Y283-F351 HydrophobicContact CD2-CD2 3.76Å; Y283-F351 AromaticContact CD2-CE2 3.98Å; Y283-F351 HydrophobicContact CD2-CE2 3.98Å; Y283-F351 HydrophobicContact CD2-CG 4.31Å; Y283-F351 HydrophobicContact CG-CB 4.22Å; Y283-F351 AromaticContact CG-CD2 3.84Å; Y283-F351 HydrophobicContact CG-CD2 3.84Å; Y283-F351 HydrophobicContact CG-CE2 4.46Å; Y283-F351 AromaticContact CG-CG 3.99Å; Y283-F351 HydrophobicContact CG-CG 3.99Å |
| 284 | L | 96.6 | Very high | 96.8 | Very high | 74 Ų | 74 | 72.2 Ų | 72.2 | 39% | 0.387 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -102.9 | -15.4 | -172.2 | -65.1 | 176.7 | 0 | 0 | 0 | 114.5 | G78 L81 L280 I281 P286 | G78-L284 VanDerWaalsContact CA-O 3.25Å; G78-L284 WeakPolarHBondContact CA-O 3.42Å; G78-L284 PolarHBondContact N-O 3.29Å; G78-L284 VanDerWaalsContact N-O 3.15Å; L81-L284 HydrophobicContact CD1-CD2 4.46Å; L280-L284 HydrophobicContact CD1-CD1 4.14Å; L280-L284 PolarHBondContact O-N 3.3Å; I281-L284 PolarHBondContact O-N 2.68Å; L284-P286 WeakPolarHBondContact O-CD 3.43Å |
| 285 | K | 97.3 | Very high | 96.8 | Very high | 136 Ų | 136 | 68.7 Ų | 68.7 | 59% | 0.591 | 36% | 0.358 | S | S | * | . | trans | -64.5 | 118.7 | -179.5 | -178.1 | 174.9 | -178.7 | 179.9 | 0 | 109.8 | I281 | I281-K285 HydrophobicContact CG2-CB 4.37Å; I281-K285 HydrophobicContact CG2-CD 4.44Å; I281-K285 WeakPolarHBondContact O-CA 3.47Å; I281-K285 WeakPolarHBondContact O-CB 3.3Å; I281-K285 PolarHBondContact O-N 3.09Å | ||
| 286 | P | 97.7 | Very high | 96.9 | Very high | 51 Ų | 51 | 68 Ų | 68 | 33% | 0.331 | 35% | 0.35 | S | S | . | . | trans | -76.7 | 130.2 | -175.6 | 29.8 | -33.7 | 0 | 0 | 0 | 111.1 | G76 A79 L284 W288 | G76-P286 WeakPolarHBondContact O-CA 3.47Å; A79-P286 HydrophobicContact CB-CB 4.24Å; L284-P286 WeakPolarHBondContact O-CD 3.43Å; P286-W288 HydrophobicContact CB-CD2 4.05Å; P286-W288 HydrophobicContact CB-CE3 4.27Å; P286-W288 HydrophobicContact CB-CH2 3.81Å; P286-W288 HydrophobicContact CB-CZ2 3.56Å; P286-W288 HydrophobicContact CB-CZ3 4.15Å; P286-W288 HydrophobicContact CG-CH2 4.13Å; P286-W288 HydrophobicContact CG-CZ2 3.47Å; P286-W288 VanDerWaalsContact CG-CZ2 3.47Å | ||
| 287 | N | 97.3 | Very high | 97 | Very high | 74 Ų | 74 | 71.3 Ų | 71.3 | 40% | 0.396 | 36% | 0.363 | S | S | . | . | trans | -102.8 | 92.8 | 162.5 | -178 | -0.3 | 0 | 0 | 0 | 109.5 | G76 A79 S289 K290 | G76-N287 PolarHBondContact O-N 3.1Å; A79-N287 WeakPolarHBondContact CB-O 3.34Å; N287-S289 PolarHBondContact O-N 2.65Å; N287-S289 PolarHBondContact OD1-N 3.14Å; N287-S289 PolarHBondContact OD1-OG 3.18Å; N287-K290 HydrophobicContact CB-CG 4.42Å; N287-K290 WeakPolarHBondContact O-CB 3.39Å; N287-K290 PolarHBondContact O-N 3.12Å | ||
| 288 | W | 97.9 | Very high | 96.9 | Very high | 155 Ų | 155 | 66 Ų | 66 | 59% | 0.587 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -60.1 | -27.9 | -174.9 | -55.7 | 115.6 | 0 | 0 | 0 | 114.5 | A79 I82 P286 K290 L291 | A79-W288 HydrophobicContact CB-CE3 4.19Å; A79-W288 HydrophobicContact CB-CZ3 4.44Å; I82-W288 HydrophobicContact CD1-CZ3 3.74Å; P286-W288 HydrophobicContact CB-CD2 4.05Å; P286-W288 HydrophobicContact CB-CE3 4.27Å; P286-W288 HydrophobicContact CB-CH2 3.81Å; P286-W288 HydrophobicContact CB-CZ2 3.56Å; P286-W288 HydrophobicContact CB-CZ3 4.15Å; P286-W288 HydrophobicContact CG-CH2 4.13Å; P286-W288 HydrophobicContact CG-CZ2 3.47Å; P286-W288 VanDerWaalsContact CG-CZ2 3.47Å; W288-K290 PolarHBondContact O-N 2.83Å; W288-L291 HydrophobicContact CE3-CD1 3.95Å; W288-L291 HydrophobicContact CZ3-CD1 4.47Å; W288-L291 WeakPolarHBondContact O-CB 3.39Å; W288-L291 PolarHBondContact O-N 3.2Å; W288-L291 VanDerWaalsContact O-N 3.14Å |
| 289 | S | 97.9 | Very high | 96.9 | Very high | 75 Ų | 75 | 62.6 Ų | 62.6 | 52% | 0.524 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -61.2 | -23.6 | 176.6 | 69.5 | 0 | 0 | 0 | 0 | 113.1 | N287 L291 T292 | N287-S289 PolarHBondContact O-N 2.65Å; N287-S289 PolarHBondContact OD1-N 3.14Å; N287-S289 PolarHBondContact OD1-OG 3.18Å; S289-L291 PolarHBondContact O-N 2.89Å; S289-T292 PolarHBondContact O-N 3.38Å; S289-T292 PolarHBondContact O-OG1 3.34Å |
| 290 | K | 97 | Very high | 97 | Very high | 67 Ų | 67 | 62.6 Ų | 62.6 | 29% | 0.291 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -69.7 | -19.3 | 178.1 | -78.7 | -66.2 | -167.9 | 177.1 | 0 | 113.3 | N287 W288 T292 D293 V296 | N287-K290 HydrophobicContact CB-CG 4.42Å; N287-K290 WeakPolarHBondContact O-CB 3.39Å; N287-K290 PolarHBondContact O-N 3.12Å; W288-K290 PolarHBondContact O-N 2.83Å; K290-T292 PolarHBondContact O-N 3.27Å; K290-D293 IonicContact NZ-OD2 2.75Å; K290-D293 WeakPolarHBondContact O-CB 3.19Å; K290-D293 PolarHBondContact O-N 3.49Å; K290-D293 VanDerWaalsContact O-N 3.1Å; K290-V296 HydrophobicContact CB-CG2 4.15Å; K290-V296 HydrophobicContact CD-CG2 4.42Å; K290-V296 WeakPolarHBondContact O-CG2 3.28Å |
| 291 | L | 97.6 | Very high | 97 | Very high | 45 Ų | 45 | 60.2 Ų | 60.2 | 24% | 0.236 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -67.8 | -16.4 | 179.4 | -67.6 | 176.9 | 0 | 0 | 0 | 113.9 | A79 I82 P83 W288 S289 D293 W297 | A79-L291 HydrophobicContact CB-CD2 4.39Å; A79-L291 HydrophobicContact CB-CG 4.31Å; A79-L291 WeakPolarHBondContact O-CD2 3.37Å; I82-L291 HydrophobicContact CD1-CD1 4.16Å; P83-L291 HydrophobicContact CG-CD2 4.42Å; W288-L291 HydrophobicContact CE3-CD1 3.95Å; W288-L291 HydrophobicContact CZ3-CD1 4.47Å; W288-L291 WeakPolarHBondContact O-CB 3.39Å; W288-L291 PolarHBondContact O-N 3.2Å; W288-L291 VanDerWaalsContact O-N 3.14Å; S289-L291 PolarHBondContact O-N 2.89Å; L291-D293 VanDerWaalsContact C-N 3.34Å; L291-W297 PolarHBondContact O-NE1 3.09Å |
| 292 | T | 97.6 | Very high | 96.8 | Very high | 130 Ų | 130 | 57 Ų | 57 | 80% | 0.798 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | -83.3 | -12 | 175.1 | 63.1 | 0 | 0 | 0 | 0 | 113.1 | S289 K290 | S289-T292 PolarHBondContact O-N 3.38Å; S289-T292 PolarHBondContact O-OG1 3.34Å; K290-T292 PolarHBondContact O-N 3.27Å |
| 293 | D | 97.3 | Very high | 96.9 | Very high | 54 Ų | 54 | 52.6 Ų | 52.6 | 29% | 0.289 | 27% | 0.268 | S | S | . | . | trans | -87 | 121.3 | -180 | -178.1 | -13.1 | 0 | 0 | 0 | 109.9 | K290 L291 T295 V296 | K290-D293 IonicContact NZ-OD2 2.75Å; K290-D293 WeakPolarHBondContact O-CB 3.19Å; K290-D293 PolarHBondContact O-N 3.49Å; K290-D293 VanDerWaalsContact O-N 3.1Å; L291-D293 VanDerWaalsContact C-N 3.34Å; D293-T295 PolarHBondContact O-N 2.86Å; D293-T295 WeakPolarHBondContact OD1-CB 3.41Å; D293-T295 PolarHBondContact OD1-N 3.42Å; D293-T295 PolarHBondContact OD1-OG1 3.23Å; D293-V296 HydrophobicContact CB-CG2 4.05Å; D293-V296 WeakPolarHBondContact O-CB 3.48Å; D293-V296 PolarHBondContact O-N 2.79Å | ||
| 294 | M | 96.6 | Very high | 96.9 | Very high | 93 Ų | 93 | 52.6 Ų | 52.6 | 46% | 0.458 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.2 | -26.9 | -179.6 | -70.4 | -172.2 | -70.6 | 0 | 0 | 112.9 | V296 W297 S298 I527 I530 V531 | M294-V296 PolarHBondContact O-N 2.72Å; M294-W297 PolarHBondContact O-N 2.98Å; M294-S298 PolarHBondContact O-N 3.26Å; M294-I527 HydrophobicContact CB-CG2 4.05Å; M294-I527 WeakPolarHBondContact O-CG2 3.33Å; M294-I530 HydrophobicContact CE-CG2 3.93Å; M294-V531 HydrophobicContact CB-CG1 4.01Å |
| 295 | T | 96.1 | Very high | 96.8 | Very high | 38 Ų | 38 | 49.1 Ų | 49.1 | 23% | 0.233 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.1 | -37.2 | 177.7 | -46.7 | 0 | 0 | 0 | 0 | 111 | D293 W297 S298 D299 | D293-T295 PolarHBondContact O-N 2.86Å; D293-T295 WeakPolarHBondContact OD1-CB 3.41Å; D293-T295 PolarHBondContact OD1-N 3.42Å; D293-T295 PolarHBondContact OD1-OG1 3.23Å; T295-W297 VanDerWaalsContact C-N 3.32Å; T295-W297 PolarHBondContact O-N 2.63Å; T295-S298 PolarHBondContact O-N 3.05Å; T295-D299 WeakPolarHBondContact O-CB 3.44Å; T295-D299 PolarHBondContact O-N 3.07Å |
| 296 | V | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.9 | -41.9 | 179.2 | 173.7 | 0 | 0 | 0 | 0 | 111.2 | N75 F80 P83 K290 D293 M294 A300 | N75-V296 HydrophobicContact CB-CB 4.3Å; N75-V296 HydrophobicContact CB-CG1 4.07Å; N75-V296 HydrophobicContact CB-CG2 3.81Å; F80-V296 HydrophobicContact CD2-CG1 4.22Å; P83-V296 HydrophobicContact CG-CG1 3.88Å; K290-V296 HydrophobicContact CB-CG2 4.15Å; K290-V296 HydrophobicContact CD-CG2 4.42Å; K290-V296 WeakPolarHBondContact O-CG2 3.28Å; D293-V296 HydrophobicContact CB-CG2 4.05Å; D293-V296 WeakPolarHBondContact O-CB 3.48Å; D293-V296 PolarHBondContact O-N 2.79Å; M294-V296 PolarHBondContact O-N 2.72Å; V296-A300 VanDerWaalsContact O-CB 3.29Å; V296-A300 WeakPolarHBondContact O-CB 3.38Å; V296-A300 PolarHBondContact O-N 3.3Å; V296-A300 VanDerWaalsContact O-N 3.09Å |
| 297 | W | 97.4 | Very high | 96.5 | Very high | 72 Ų | 72 | 42.1 Ų | 42.1 | 27% | 0.273 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -71.5 | -40.6 | 177.9 | -68.4 | 87.4 | 0 | 0 | 0 | 112 | P83 I86 L291 M294 T295 G301 | P83-W297 HydrophobicContact CB-CD2 3.74Å; P83-W297 HydrophobicContact CB-CE3 3.48Å; P83-W297 VanDerWaalsContact CB-CE3 3.48Å; P83-W297 HydrophobicContact CB-CG 4.36Å; P83-W297 HydrophobicContact CB-CH2 4.2Å; P83-W297 HydrophobicContact CB-CZ2 4.42Å; P83-W297 HydrophobicContact CB-CZ3 3.73Å; I86-W297 HydrophobicContact CD1-CH2 3.82Å; I86-W297 HydrophobicContact CD1-CZ3 3.95Å; I86-W297 HydrophobicContact CG2-CZ3 4.44Å; L291-W297 PolarHBondContact O-NE1 3.09Å; M294-W297 PolarHBondContact O-N 2.98Å; T295-W297 VanDerWaalsContact C-N 3.32Å; T295-W297 PolarHBondContact O-N 2.63Å; W297-G301 PolarHBondContact O-N 3.1Å |
| 298 | S | 95.8 | Very high | 96.4 | Very high | 4 Ų | 4 | 38.6 Ų | 38.6 | 3% | 0.028 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.6 | -50.3 | 174 | -171.6 | 0 | 0 | 0 | 0 | 112 | M294 T295 A300 G301 T302 | M294-S298 PolarHBondContact O-N 3.26Å; T295-S298 PolarHBondContact O-N 3.05Å; S298-A300 VanDerWaalsContact C-N 3.34Å; S298-A300 PolarHBondContact O-N 3.04Å; S298-G301 PolarHBondContact O-N 2.85Å; S298-T302 WeakPolarHBondContact O-CB 3.18Å; S298-T302 WeakPolarHBondContact O-CG2 3.24Å; S298-T302 PolarHBondContact O-N 3.28Å; S298-T302 PolarHBondContact O-OG1 3.23Å |
| 299 | D | 95.9 | Very high | 96.3 | Very high | 26 Ų | 26 | 31.6 Ų | 31.6 | 14% | 0.139 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.1 | -40.9 | -178 | -78.6 | -4.9 | 0 | 0 | 0 | 110.9 | L71 K74 N75 F80 T295 T302 Q303 | L71-D299 HydrophobicContact CD2-CB 4.09Å; K74-D299 IonicContact NZ-OD2 3.09Å; N75-D299 WeakPolarHBondContact ND2-CB 3.44Å; N75-D299 PolarHBondContact ND2-OD2 3.26Å; F80-D299 HydrophobicContact CE2-CB 4.15Å; T295-D299 WeakPolarHBondContact O-CB 3.44Å; T295-D299 PolarHBondContact O-N 3.07Å; D299-T302 PolarHBondContact O-OG1 3.27Å; D299-Q303 WeakPolarHBondContact O-CB 3.28Å; D299-Q303 PolarHBondContact O-N 3.1Å |
| 300 | A | 97.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.7 | -48.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | F80 P83 V296 S298 Q303 I304 | F80-A300 HydrophobicContact CD2-CB 4.22Å; F80-A300 HydrophobicContact CE2-CB 3.59Å; F80-A300 HydrophobicContact CZ-CB 3.9Å; P83-A300 HydrophobicContact CB-CB 3.77Å; P83-A300 HydrophobicContact CG-CB 4.03Å; V296-A300 VanDerWaalsContact O-CB 3.29Å; V296-A300 WeakPolarHBondContact O-CB 3.38Å; V296-A300 PolarHBondContact O-N 3.3Å; V296-A300 VanDerWaalsContact O-N 3.09Å; S298-A300 VanDerWaalsContact C-N 3.34Å; S298-A300 PolarHBondContact O-N 3.04Å; A300-Q303 PolarHBondContact O-N 2.93Å; A300-I304 PolarHBondContact O-N 3.03Å |
| 301 | G | 96.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62.8 | -50.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | S87 W297 S298 Q303 I304 F305 | S87-G301 WeakPolarHBondContact OG-CA 3.31Å; W297-G301 PolarHBondContact O-N 3.1Å; S298-G301 PolarHBondContact O-N 2.85Å; G301-Q303 VanDerWaalsContact C-N 3.31Å; G301-Q303 PolarHBondContact O-N 3.37Å; G301-I304 WeakPolarHBondContact O-CB 3.3Å; G301-I304 PolarHBondContact O-N 3.23Å; G301-F305 WeakPolarHBondContact O-CD2 3.48Å; G301-F305 PolarHBondContact O-N 3.42Å |
| 302 | T | 94.6 | Very high | 96.1 | Very high | 10 Ų | 10 | 23.4 Ų | 23.4 | 6% | 0.061 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63.6 | -35.5 | 178.4 | 55.1 | 0 | 0 | 0 | 0 | 112.3 | S298 D299 I304 F305 F306 L474 | S298-T302 WeakPolarHBondContact O-CB 3.18Å; S298-T302 WeakPolarHBondContact O-CG2 3.24Å; S298-T302 PolarHBondContact O-N 3.28Å; S298-T302 PolarHBondContact O-OG1 3.23Å; D299-T302 PolarHBondContact O-OG1 3.27Å; T302-I304 PolarHBondContact O-N 3.04Å; T302-F305 PolarHBondContact O-N 3.15Å; T302-F305 VanDerWaalsContact O-N 3.16Å; T302-F306 VanDerWaalsContact O-CD2 3.26Å; T302-F306 WeakPolarHBondContact O-CD2 3.39Å; T302-F306 PolarHBondContact O-N 3.43Å; T302-L474 HydrophobicContact CG2-CD1 4.08Å |
| 303 | Q | 95.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -59.9 | -34.4 | 173.6 | -178.8 | 60.7 | 28.8 | 0 | 0 | 112.1 | G63 R67 F68 L71 Y84 D299 A300 G301 S307 | G63-Q303 PolarHBondContact O-NE2 3.45Å; R67-Q303 VanDerWaalsContact CD-OE1 3.31Å; F68-Q303 HydrophobicContact CB-CG 4.46Å; F68-Q303 HydrophobicContact CD2-CG 4.22Å; L71-Q303 HydrophobicContact CD1-CB 3.95Å; L71-Q303 HydrophobicContact CD1-CG 4.22Å; Y84-Q303 HydrophobicContact CD2-CG 4.49Å; Y84-Q303 HydrophobicContact CE2-CG 4.15Å; D299-Q303 WeakPolarHBondContact O-CB 3.28Å; D299-Q303 PolarHBondContact O-N 3.1Å; A300-Q303 PolarHBondContact O-N 2.93Å; G301-Q303 VanDerWaalsContact C-N 3.31Å; G301-Q303 PolarHBondContact O-N 3.37Å; Q303-S307 WeakPolarHBondContact O-CB 3.5Å; Q303-S307 PolarHBondContact O-N 3.46Å |
| 304 | I | 96.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -67.3 | -45.1 | 173.8 | -63.7 | -49.3 | 0 | 0 | 0 | 111.4 | Y84 S87 V88 G92 A300 G301 T302 F306 S307 Y308 | Y84-I304 HydrophobicContact CD1-CD1 4.5Å; Y84-I304 HydrophobicContact CD2-CD1 3.66Å; Y84-I304 HydrophobicContact CD2-CG1 4.42Å; Y84-I304 HydrophobicContact CE1-CD1 4.14Å; Y84-I304 HydrophobicContact CE2-CD1 3.26Å; Y84-I304 HydrophobicContact CE2-CG1 4.39Å; Y84-I304 HydrophobicContact CG-CD1 4.27Å; S87-I304 VanDerWaalsContact CB-CG1 3.47Å; V88-I304 HydrophobicContact CG2-CD1 3.45Å; V88-I304 VanDerWaalsContact CG2-CD1 3.45Å; V88-I304 HydrophobicContact CG2-CG1 4.2Å; G92-I304 VanDerWaalsContact CA-CG2 3.46Å; A300-I304 PolarHBondContact O-N 3.03Å; G301-I304 WeakPolarHBondContact O-CB 3.3Å; G301-I304 PolarHBondContact O-N 3.23Å; T302-I304 PolarHBondContact O-N 3.04Å; I304-F306 VanDerWaalsContact C-N 3.31Å; I304-F306 PolarHBondContact O-N 3.49Å; I304-S307 PolarHBondContact O-N 2.87Å; I304-Y308 HydrophobicContact CD1-CE2 4.22Å; I304-Y308 HydrophobicContact CG2-CD2 3.92Å; I304-Y308 HydrophobicContact CG2-CE2 4.2Å; I304-Y308 HydrophobicContact CG2-CG 4.25Å; I304-Y308 VanDerWaalsContact O-CB 3.28Å; I304-Y308 WeakPolarHBondContact O-CB 3.09Å; I304-Y308 PolarHBondContact O-N 3.08Å |
| 305 | F | 95.5 | Very high | 96.1 | Very high | 1 Ų | 1 | 10.2 Ų | 10.2 | 0% | 0.004 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -58.8 | -43.4 | 177.5 | -83.3 | -107.5 | 0 | 0 | 0 | 112.2 | A91 L95 G301 T302 S309 L310 I473 L474 T521 L524 | A91-F305 HydrophobicContact CB-CE2 3.94Å; A91-F305 HydrophobicContact CB-CZ 4.37Å; L95-F305 HydrophobicContact CD1-CE1 3.78Å; L95-F305 HydrophobicContact CD1-CE2 4.42Å; L95-F305 HydrophobicContact CD1-CZ 3.52Å; G301-F305 WeakPolarHBondContact O-CD2 3.48Å; G301-F305 PolarHBondContact O-N 3.42Å; T302-F305 PolarHBondContact O-N 3.15Å; T302-F305 VanDerWaalsContact O-N 3.16Å; F305-S309 WeakPolarHBondContact O-CA 3.44Å; F305-S309 PolarHBondContact O-N 2.92Å; F305-S309 VanDerWaalsContact O-N 3.14Å; F305-L310 HydrophobicContact CD1-CB 3.91Å; F305-L310 HydrophobicContact CD1-CD1 4.09Å; F305-L310 HydrophobicContact CD2-CD1 4.33Å; F305-L310 HydrophobicContact CE1-CB 4.44Å; F305-L310 HydrophobicContact CE1-CD1 4.27Å; F305-L310 HydrophobicContact CE2-CD1 4.5Å; F305-L310 HydrophobicContact CG-CB 4.41Å; F305-L310 HydrophobicContact CG-CD1 4.12Å; F305-L310 HydrophobicContact CZ-CD1 4.45Å; F305-L310 PolarHBondContact O-N 3.36Å; F305-I473 HydrophobicContact CB-CD1 3.78Å; F305-I473 HydrophobicContact CB-CG1 4.11Å; F305-I473 HydrophobicContact CD1-CB 4.42Å; F305-I473 HydrophobicContact CD1-CG1 4.19Å; F305-L474 HydrophobicContact CD1-CD2 3.87Å; F305-L474 HydrophobicContact CD2-CD2 3.54Å; F305-L474 HydrophobicContact CE1-CD2 3.85Å; F305-L474 HydrophobicContact CE2-CD2 3.52Å; F305-L474 HydrophobicContact CG-CD2 3.73Å; F305-L474 HydrophobicContact CZ-CD2 3.7Å; F305-T521 HydrophobicContact CE1-CG2 4.21Å; F305-T521 HydrophobicContact CE2-CG2 4.4Å; F305-T521 HydrophobicContact CZ-CG2 3.54Å; F305-L524 HydrophobicContact CE2-CD1 4.31Å |
| 306 | F | 92.7 | Very high | 96.2 | Very high | 38 Ų | 38 | 8.6 Ų | 8.6 | 17% | 0.167 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -69 | -48 | 175.1 | -80.9 | -69.4 | 0 | 0 | 0 | 113.1 | T302 I304 Y308 S309 S470 I473 | T302-F306 VanDerWaalsContact O-CD2 3.26Å; T302-F306 WeakPolarHBondContact O-CD2 3.39Å; T302-F306 PolarHBondContact O-N 3.43Å; I304-F306 VanDerWaalsContact C-N 3.31Å; I304-F306 PolarHBondContact O-N 3.49Å; F306-Y308 VanDerWaalsContact C-N 3.31Å; F306-Y308 PolarHBondContact O-N 2.91Å; F306-S309 PolarHBondContact O-N 3.03Å; F306-S309 VanDerWaalsContact O-N 3.15Å; F306-S470 VanDerWaalsContact CE2-CB 3.41Å; F306-S470 VanDerWaalsContact CZ-CB 3.46Å; F306-I473 HydrophobicContact CD1-CD1 4.3Å; F306-I473 HydrophobicContact CD2-CD1 4.26Å; F306-I473 HydrophobicContact CE1-CD1 4.2Å; F306-I473 HydrophobicContact CE2-CD1 4.15Å; F306-I473 HydrophobicContact CG-CD1 4.36Å; F306-I473 HydrophobicContact CZ-CD1 4.15Å |
| 307 | S | 95.1 | Very high | 96.2 | Very high | 3 Ų | 3 | 8.6 Ų | 8.6 | 2% | 0.021 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -72.7 | -23.4 | -174.4 | -177.6 | 0 | 0 | 0 | 0 | 113.3 | S59 N64 Q303 I304 N339 | S59-S307 VanDerWaalsContact CB-O 3.3Å; S59-S307 WeakPolarHBondContact CB-O 3.19Å; N64-S307 PolarHBondContact ND2-OG 3.35Å; Q303-S307 WeakPolarHBondContact O-CB 3.5Å; Q303-S307 PolarHBondContact O-N 3.46Å; I304-S307 PolarHBondContact O-N 2.87Å; S307-N339 PolarHBondContact OG-ND2 3.28Å; S307-N339 PolarHBondContact OG-OD1 3.33Å |
| 308 | Y | 96.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 5.2 Ų | 5.2 | 0% | 0 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -93.6 | -9.1 | 173.3 | -79.2 | -128 | 0 | 0 | 0 | 111.2 | S59 V88 F96 I304 F306 F335 A336 N339 | S59-Y308 PolarHBondContact OG-O 3.14Å; V88-Y308 VanDerWaalsContact CG1-OH 3.3Å; V88-Y308 WeakPolarHBondContact CG1-OH 3.09Å; V88-Y308 HydrophobicContact CG2-CE2 4.38Å; F96-Y308 HydrophobicContact CB-CD1 4.15Å; F96-Y308 AromaticContact CD2-CD1 3.95Å; F96-Y308 HydrophobicContact CD2-CD1 3.95Å; F96-Y308 HydrophobicContact CG-CD1 4.36Å; I304-Y308 HydrophobicContact CD1-CE2 4.22Å; I304-Y308 HydrophobicContact CG2-CD2 3.92Å; I304-Y308 HydrophobicContact CG2-CE2 4.2Å; I304-Y308 HydrophobicContact CG2-CG 4.25Å; I304-Y308 VanDerWaalsContact O-CB 3.28Å; I304-Y308 WeakPolarHBondContact O-CB 3.09Å; I304-Y308 PolarHBondContact O-N 3.08Å; F306-Y308 VanDerWaalsContact C-N 3.31Å; F306-Y308 PolarHBondContact O-N 2.91Å; Y308-F335 HydrophobicContact CD1-CD1 4.25Å; Y308-F335 AromaticContact CD1-CE1 3.51Å; Y308-F335 HydrophobicContact CD1-CE1 3.51Å; Y308-F335 HydrophobicContact CD1-CZ 4.49Å; Y308-F335 HydrophobicContact CD2-CE1 4.29Å; Y308-F335 HydrophobicContact CE1-CD1 4.11Å; Y308-F335 AromaticContact CE1-CE1 3.68Å; Y308-F335 HydrophobicContact CE1-CE1 3.68Å; Y308-F335 HydrophobicContact CE2-CE1 4.46Å; Y308-F335 AromaticContact CG-CE1 3.8Å; Y308-F335 HydrophobicContact CG-CE1 3.8Å; Y308-F335 HydrophobicContact CG-CZ 4.38Å; Y308-A336 HydrophobicContact CE1-CB 4.11Å; Y308-A336 WeakPolarHBondContact OH-CA 3.36Å; Y308-A336 WeakPolarHBondContact OH-CB 3.25Å; Y308-N339 WeakPolarHBondContact CE2-ND2 3.31Å |
| 309 | S | 95.7 | Very high | 96.2 | Very high | 8 Ų | 8 | 5 Ų | 5 | 6% | 0.056 | 3% | 0.027 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.3 | 41.2 | -176.7 | -53.2 | 0 | 0 | 0 | 0 | 113.6 | F58 S59 F305 F306 | F58-S309 WeakPolarHBondContact CE1-OG 3.22Å; S59-S309 PolarHBondContact OG-OG 2.66Å; F305-S309 WeakPolarHBondContact O-CA 3.44Å; F305-S309 PolarHBondContact O-N 2.92Å; F305-S309 VanDerWaalsContact O-N 3.14Å; F306-S309 PolarHBondContact O-N 3.03Å; F306-S309 VanDerWaalsContact O-N 3.15Å |
| 310 | L | 96.8 | Very high | 96.2 | Very high | 1 Ų | 1 | 3.8 Ų | 3.8 | 1% | 0.005 | 2% | 0.02 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | 144.1 | -177.7 | -57.1 | 179.8 | 0 | 0 | 0 | 111.9 | L95 F96 E99 F305 L312 L315 | L95-L310 HydrophobicContact CB-CD1 3.89Å; L95-L310 HydrophobicContact CB-CD2 3.98Å; L95-L310 HydrophobicContact CB-CG 4.48Å; L95-L310 HydrophobicContact CD1-CD1 3.93Å; F96-L310 HydrophobicContact CB-CD2 3.95Å; F96-L310 HydrophobicContact CD2-CD2 4.47Å; E99-L310 WeakPolarHBondContact OE1-CA 3.37Å; F305-L310 HydrophobicContact CD1-CB 3.91Å; F305-L310 HydrophobicContact CD1-CD1 4.09Å; F305-L310 HydrophobicContact CD2-CD1 4.33Å; F305-L310 HydrophobicContact CE1-CB 4.44Å; F305-L310 HydrophobicContact CE1-CD1 4.27Å; F305-L310 HydrophobicContact CE2-CD1 4.5Å; F305-L310 HydrophobicContact CG-CB 4.41Å; F305-L310 HydrophobicContact CG-CD1 4.12Å; F305-L310 HydrophobicContact CZ-CD1 4.45Å; F305-L310 PolarHBondContact O-N 3.36Å; L310-L312 VanDerWaalsContact C-N 3.27Å; L310-L312 PolarHBondContact O-N 3.4Å; L310-L315 HydrophobicContact CD2-CD1 4.08Å |
| 311 | G | 95.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 4.4 Ų | 4.4 | 0% | 0 | 2% | 0.022 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.9 | 20.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | E99 C127 | E99-G311 PolarHBondContact OE1-N 3.33Å; C127-G311 PolarHBondContact SG-O 3.16Å; C127-G311 VanDerWaalsContact SG-O 3.4Å |
| 312 | L | 95.9 | Very high | 96.1 | Very high | 13 Ų | 13 | 4.4 Ų | 4.4 | 7% | 0.068 | 2% | 0.023 | C | C | . | . | S | Bend | trans | -102.7 | -10.8 | 177.7 | -57.7 | -173.6 | 0 | 0 | 0 | 112.8 | F58 I130 N131 L134 L310 V314 I473 | F58-L312 HydrophobicContact CZ-CD1 3.97Å; I130-L312 HydrophobicContact CB-CD2 4.39Å; I130-L312 HydrophobicContact CG2-CD2 3.52Å; N131-L312 HydrophobicContact CB-CB 4.5Å; L134-L312 HydrophobicContact CD2-CD1 3.66Å; L134-L312 HydrophobicContact CD2-CD2 3.76Å; L134-L312 HydrophobicContact CD2-CG 4.41Å; L310-L312 VanDerWaalsContact C-N 3.27Å; L310-L312 PolarHBondContact O-N 3.4Å; L312-V314 HydrophobicContact CB-CG2 4.24Å; L312-V314 PolarHBondContact O-N 3.07Å; L312-V314 VanDerWaalsContact O-N 3.14Å; L312-I473 HydrophobicContact CD2-CG2 4.17Å |
| 313 | G | 96.3 | Very high | 96 | Very high | 1 Ų | 1 | 9.3 Ų | 9.3 | 1% | 0.01 | 4% | 0.043 | C | C | . | . | S | Bend | trans | 73.6 | -4.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | T316 A317 | G313-T316 WeakPolarHBondContact O-CB 3.46Å; G313-T316 PolarHBondContact O-N 3.19Å; G313-A317 PolarHBondContact O-N 2.92Å |
| 314 | V | 97.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -70.3 | -38.4 | 176.7 | 179.8 | 0 | 0 | 0 | 0 | 110.9 | F58 L312 T316 A317 F318 A411 | F58-V314 HydrophobicContact CD1-CB 4.2Å; F58-V314 HydrophobicContact CD1-CG1 3.72Å; F58-V314 HydrophobicContact CD2-CG1 4.32Å; F58-V314 HydrophobicContact CE1-CB 3.4Å; F58-V314 VanDerWaalsContact CE1-CB 3.4Å; F58-V314 HydrophobicContact CE1-CG1 3.42Å; F58-V314 VanDerWaalsContact CE1-CG1 3.42Å; F58-V314 HydrophobicContact CE1-CG2 4.05Å; F58-V314 HydrophobicContact CE2-CB 4.33Å; F58-V314 HydrophobicContact CE2-CG1 4.07Å; F58-V314 HydrophobicContact CE2-CG2 4.2Å; F58-V314 HydrophobicContact CG-CG1 4.15Å; F58-V314 HydrophobicContact CZ-CB 3.47Å; F58-V314 VanDerWaalsContact CZ-CB 3.47Å; F58-V314 HydrophobicContact CZ-CG1 3.61Å; F58-V314 HydrophobicContact CZ-CG2 3.56Å; L312-V314 HydrophobicContact CB-CG2 4.24Å; L312-V314 PolarHBondContact O-N 3.07Å; L312-V314 VanDerWaalsContact O-N 3.14Å; V314-T316 VanDerWaalsContact C-N 3.32Å; V314-T316 PolarHBondContact O-N 3.01Å; V314-A317 WeakPolarHBondContact O-CA 3.3Å; V314-A317 WeakPolarHBondContact O-CB 3.49Å; V314-A317 PolarHBondContact O-N 3.32Å; V314-A317 VanDerWaalsContact O-N 3.1Å; V314-F318 HydrophobicContact CG1-CE1 4.26Å; V314-F318 HydrophobicContact CG1-CE2 4.26Å; V314-F318 HydrophobicContact CG1-CZ 4.15Å; V314-F318 PolarHBondContact O-N 3.35Å; V314-A411 HydrophobicContact CG1-CB 3.96Å; V314-A411 VanDerWaalsContact CG1-O 3.29Å; V314-A411 WeakPolarHBondContact CG1-O 3.33Å |
| 315 | L | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -64 | -39 | 175.6 | -63 | 179.9 | 0 | 0 | 0 | 111.6 | F58 F96 E99 V100 L310 A317 F318 G319 | F58-L315 HydrophobicContact CD1-CD2 4.22Å; F58-L315 HydrophobicContact CE1-CD2 4.41Å; F96-L315 HydrophobicContact CB-CD1 4.44Å; F96-L315 HydrophobicContact CD2-CD1 3.4Å; F96-L315 VanDerWaalsContact CD2-CD1 3.4Å; F96-L315 HydrophobicContact CD2-CD2 4.09Å; F96-L315 HydrophobicContact CD2-CG 4.39Å; F96-L315 HydrophobicContact CE2-CD1 3.69Å; F96-L315 HydrophobicContact CE2-CD2 3.43Å; F96-L315 VanDerWaalsContact CE2-CD2 3.43Å; F96-L315 HydrophobicContact CE2-CG 4.21Å; F96-L315 HydrophobicContact CG-CD1 3.92Å; F96-L315 HydrophobicContact CZ-CD1 4.41Å; F96-L315 HydrophobicContact CZ-CD2 3.69Å; E99-L315 HydrophobicContact CB-CB 3.89Å; E99-L315 HydrophobicContact CB-CD1 4.45Å; V100-L315 HydrophobicContact CG2-CB 4.12Å; L310-L315 HydrophobicContact CD2-CD1 4.08Å; L315-A317 VanDerWaalsContact C-N 3.35Å; L315-F318 PolarHBondContact O-N 2.86Å; L315-G319 PolarHBondContact O-N 3.4Å |
| 316 | T | 97.9 | Very high | 95.9 | Very high | 4 Ų | 4 | 16.9 Ų | 16.9 | 3% | 0.025 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -60.3 | -44.6 | 170.2 | -47 | 0 | 0 | 0 | 0 | 111.2 | E99 V102 G103 V110 A113 G313 V314 F318 G319 S320 | E99-T316 WeakPolarHBondContact O-CA 3.37Å; E99-T316 PolarHBondContact O-OG1 2.7Å; V102-T316 HydrophobicContact CG1-CG2 4.35Å; G103-T316 VanDerWaalsContact CA-O 3.27Å; G103-T316 WeakPolarHBondContact CA-O 3.29Å; V110-T316 HydrophobicContact CB-CG2 4.41Å; A113-T316 HydrophobicContact CB-CG2 3.7Å; G313-T316 WeakPolarHBondContact O-CB 3.46Å; G313-T316 PolarHBondContact O-N 3.19Å; V314-T316 VanDerWaalsContact C-N 3.32Å; V314-T316 PolarHBondContact O-N 3.01Å; T316-F318 PolarHBondContact O-N 3.04Å; T316-G319 PolarHBondContact O-N 2.93Å; T316-S320 WeakPolarHBondContact O-CB 3.46Å; T316-S320 PolarHBondContact O-N 3.08Å |
| 317 | A | 96.5 | Very high | 96 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -61 | -43.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | G313 V314 L315 S320 Y321 V418 | G313-A317 PolarHBondContact O-N 2.92Å; V314-A317 WeakPolarHBondContact O-CA 3.3Å; V314-A317 WeakPolarHBondContact O-CB 3.49Å; V314-A317 PolarHBondContact O-N 3.32Å; V314-A317 VanDerWaalsContact O-N 3.1Å; L315-A317 VanDerWaalsContact C-N 3.35Å; A317-S320 WeakPolarHBondContact O-CB 3.5Å; A317-S320 PolarHBondContact O-N 2.94Å; A317-S320 PolarHBondContact O-OG 3.42Å; A317-Y321 VanDerWaalsContact O-CD2 3.3Å; A317-Y321 WeakPolarHBondContact O-CD2 3.24Å; A317-V418 HydrophobicContact CB-CB 3.98Å; A317-V418 HydrophobicContact CB-CG1 4.09Å; A317-V418 HydrophobicContact CB-CG2 4.23Å |
| 318 | F | 97 | Very high | 96 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -66.1 | -42 | 176.4 | -74 | -3.3 | 0 | 0 | 0 | 113.1 | W45 F51 A54 F58 V314 L315 T316 S320 Y321 F410 A411 | W45-F318 HydrophobicContact CH2-CD1 4.41Å; W45-F318 HydrophobicContact CZ2-CB 4.28Å; W45-F318 AromaticContact CZ2-CD1 4Å; W45-F318 HydrophobicContact CZ2-CD1 4Å; W45-F318 HydrophobicContact CZ2-CG 4.15Å; W45-F318 PolarHBondContact NE1-O 2.93Å; F51-F318 HydrophobicContact CD2-CB 4.11Å; F51-F318 HydrophobicContact CE2-CB 3.91Å; A54-F318 HydrophobicContact CB-CD2 4.05Å; A54-F318 HydrophobicContact CB-CE2 3.76Å; A54-F318 HydrophobicContact CB-CZ 4.09Å; A54-F318 WeakPolarHBondContact O-CE2 3.49Å; F58-F318 HydrophobicContact CB-CE2 3.94Å; F58-F318 HydrophobicContact CD1-CE2 4.47Å; F58-F318 HydrophobicContact CG-CE2 4.43Å; V314-F318 HydrophobicContact CG1-CE1 4.26Å; V314-F318 HydrophobicContact CG1-CE2 4.26Å; V314-F318 HydrophobicContact CG1-CZ 4.15Å; V314-F318 PolarHBondContact O-N 3.35Å; L315-F318 PolarHBondContact O-N 2.86Å; T316-F318 PolarHBondContact O-N 3.04Å; F318-S320 PolarHBondContact O-N 3.42Å; F318-Y321 PolarHBondContact O-N 3.31Å; F318-Y321 VanDerWaalsContact O-N 3.14Å; F318-F410 HydrophobicContact CE1-CE1 4.3Å; F318-F410 HydrophobicContact CZ-CE1 4.1Å; F318-A411 HydrophobicContact CE1-CB 4.29Å; F318-A411 HydrophobicContact CE2-CB 4.03Å; F318-A411 HydrophobicContact CZ-CB 3.41Å; F318-A411 VanDerWaalsContact CZ-CB 3.41Å |
| 319 | G | 97.1 | Very high | 96 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -57.7 | -38.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q104 L315 T316 Y321 N322 | Q104-G319 VanDerWaalsContact CA-O 3.23Å; Q104-G319 WeakPolarHBondContact CA-O 3.48Å; L315-G319 PolarHBondContact O-N 3.4Å; T316-G319 PolarHBondContact O-N 2.93Å; G319-Y321 PolarHBondContact O-N 3.42Å; G319-Y321 VanDerWaalsContact O-N 3.08Å; G319-N322 VanDerWaalsContact O-CB 3.27Å; G319-N322 WeakPolarHBondContact O-CB 3.23Å; G319-N322 PolarHBondContact O-N 3.32Å |
| 320 | S | 95.5 | Very high | 96 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -10.6 | 178.7 | 90.6 | 0 | 0 | 0 | 0 | 115.4 | K42 G103 R107 R108 T316 A317 F318 | K42-S320 WeakPolarHBondContact CE-O 3.47Å; K42-S320 WeakPolarHBondContact CE-OG 3.48Å; K42-S320 VanDerWaalsContact NZ-CB 3.35Å; K42-S320 PolarHBondContact NZ-OG 3.3Å; G103-S320 WeakPolarHBondContact O-CA 3.02Å; R107-S320 PolarHBondContact NE-O 3.29Å; R107-S320 PolarHBondContact NH1-O 3.15Å; R108-S320 WeakPolarHBondContact O-CB 3.45Å; T316-S320 WeakPolarHBondContact O-CB 3.46Å; T316-S320 PolarHBondContact O-N 3.08Å; A317-S320 WeakPolarHBondContact O-CB 3.5Å; A317-S320 PolarHBondContact O-N 2.94Å; A317-S320 PolarHBondContact O-OG 3.42Å; F318-S320 PolarHBondContact O-N 3.42Å |
| 321 | Y | 95.3 | Very high | 96 | Very high | 13 Ų | 13 | 25.4 Ų | 25.4 | 5% | 0.051 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | -11.1 | 172.7 | -68.2 | -53.7 | 0 | 0 | 0 | 112.8 | K42 E43 Y44 W45 R107 I245 A317 F318 G319 E414 V418 | K42-Y321 HydrophobicContact CG-CE1 4.43Å; E43-Y321 HydrophobicContact CB-CD1 4.41Å; E43-Y321 HydrophobicContact CB-CE1 4.28Å; E43-Y321 WeakPolarHBondContact O-CD1 3.32Å; Y44-Y321 VanDerWaalsContact CA-O 3.24Å; Y44-Y321 WeakPolarHBondContact CA-O 3.19Å; W45-Y321 HydrophobicContact CZ2-CD2 4.16Å; W45-Y321 PolarHBondContact N-O 3.36Å; W45-Y321 VanDerWaalsContact N-O 3.08Å; W45-Y321 VanDerWaalsContact NE1-CB 3.32Å; R107-Y321 PolarHBondContact NH1-O 3.01Å; I245-Y321 HydrophobicContact CB-CD2 4.44Å; I245-Y321 HydrophobicContact CB-CE1 4.42Å; I245-Y321 HydrophobicContact CB-CE2 4.17Å; I245-Y321 HydrophobicContact CD1-CD2 4.03Å; I245-Y321 HydrophobicContact CD1-CE2 3.84Å; I245-Y321 HydrophobicContact CG1-CD2 3.75Å; I245-Y321 HydrophobicContact CG1-CE2 3.8Å; I245-Y321 HydrophobicContact CG1-CG 4.17Å; I245-Y321 HydrophobicContact CG2-CD1 4.25Å; I245-Y321 HydrophobicContact CG2-CE1 4.24Å; I245-Y321 HydrophobicContact CG2-CG 4.49Å; A317-Y321 VanDerWaalsContact O-CD2 3.3Å; A317-Y321 WeakPolarHBondContact O-CD2 3.24Å; F318-Y321 PolarHBondContact O-N 3.31Å; F318-Y321 VanDerWaalsContact O-N 3.14Å; G319-Y321 PolarHBondContact O-N 3.42Å; G319-Y321 VanDerWaalsContact O-N 3.08Å; Y321-E414 HydrophobicContact CE2-CG 4.32Å; Y321-E414 PolarHBondContact OH-OE1 2.95Å; Y321-V418 HydrophobicContact CE2-CG2 3.96Å; Y321-V418 WeakPolarHBondContact OH-CG2 3.49Å |
| 322 | N | 95.8 | Very high | 96.1 | Very high | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.005 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -67.1 | 138.7 | 174.1 | -73.9 | -17.9 | 0 | 0 | 0 | 111.6 | W45 F51 Q104 R107 G319 H326 | W45-N322 PolarHBondContact NE1-OD1 3.04Å; F51-N322 VanDerWaalsContact CB-OD1 3.24Å; F51-N322 WeakPolarHBondContact CB-OD1 3.24Å; F51-N322 WeakPolarHBondContact CD2-OD1 3.35Å; F51-N322 VanDerWaalsContact CG-OD1 3.24Å; F51-N322 WeakPolarHBondContact CG-OD1 3.44Å; Q104-N322 HydrophobicContact CB-CB 4.42Å; Q104-N322 HydrophobicContact CG-CB 3.82Å; Q104-N322 PolarHBondContact OE1-ND2 2.9Å; R107-N322 PolarHBondContact NH1-O 3.45Å; G319-N322 VanDerWaalsContact O-CB 3.27Å; G319-N322 WeakPolarHBondContact O-CB 3.23Å; G319-N322 PolarHBondContact O-N 3.32Å; N322-H326 HydrophobicContact CB-CB 3.98Å |
| 323 | K | 94.5 | Very high | 96.1 | Very high | 113 Ų | 113 | 28 Ų | 28 | 49% | 0.491 | 13% | 0.132 | S | C | . | . | trans | -56.9 | 148.6 | 163.1 | -66 | -176.4 | 178.9 | -174.9 | 0 | 109.1 | Y44 Q104 H325 H326 | Y44-K323 HydrophobicContact CD1-CB 4.39Å; Y44-K323 HydrophobicContact CD1-CG 3.78Å; Y44-K323 HydrophobicContact CE1-CG 4.39Å; Y44-K323 HydrophobicContact CG-CG 4.47Å; Q104-K323 PolarHBondContact NE2-O 2.83Å; K323-H325 VanDerWaalsContact C-N 3.26Å; K323-H325 PolarHBondContact O-N 3.23Å; K323-H326 WeakPolarHBondContact O-CB 3.28Å; K323-H326 PolarHBondContact O-N 3Å | ||
| 324 | F | 93.5 | Very high | 96.2 | Very high | 27 Ų | 27 | 30.9 Ų | 30.9 | 12% | 0.118 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -42.9 | -173.9 | -173.8 | -102.1 | 0 | 0 | 0 | 112.4 | Q104 H326 M499 M500 | Q104-F324 PolarHBondContact NE2-O 3.45Å; F324-H326 VanDerWaalsContact C-N 3.34Å; F324-H326 PolarHBondContact O-N 3.46Å; F324-M499 HydrophobicContact CE1-CB 4.03Å; F324-M499 HydrophobicContact CZ-CB 3.97Å; F324-M500 HydrophobicContact CD2-CG 4.34Å; F324-M500 HydrophobicContact CE1-CG 4.24Å; F324-M500 HydrophobicContact CE2-CG 3.97Å; F324-M500 HydrophobicContact CZ-CG 3.91Å; F324-M500 WeakPolarHBondContact O-CB 3.37Å; F324-M500 WeakPolarHBondContact O-CG 3.38Å |
| 325 | H | 95 | Very high | 96.2 | Very high | 94 Ų | 94 | 30.9 Ų | 30.9 | 44% | 0.435 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | 14.5 | 178.3 | -61.9 | -64 | 0 | 0 | 0 | 115.6 | K323 N327 M499 M500 E605 | K323-H325 VanDerWaalsContact C-N 3.26Å; K323-H325 PolarHBondContact O-N 3.23Å; H325-N327 PolarHBondContact O-N 2.86Å; H325-M499 PolarHBondContact CE1-O 3.38Å; H325-M499 PolarHBondContact ND1-O 2.98Å; H325-M499 VanDerWaalsContact ND1-O 3.16Å; H325-M500 VanDerWaalsContact CA-O 3.28Å; H325-M500 WeakPolarHBondContact CA-O 3.21Å; H325-M500 PolarHBondContact ND1-O 3.48Å; H325-M500 VanDerWaalsContact ND1-O 3.13Å; H325-E605 IonicContact CD2-OE2 2.74Å; H325-E605 PolarHBondContact CD2-OE2 2.78Å |
| 326 | H | 95.1 | Very high | 96.2 | Very high | 38 Ų | 38 | 31.1 Ų | 31.1 | 18% | 0.176 | 15% | 0.149 | C | C | . | . | trans | -67.8 | 129.5 | 174.7 | -174.5 | 72.9 | 0 | 0 | 0 | 110.2 | K48 F51 Q104 N322 K323 F324 S328 D331 Y501 | K48-H326 PolarHBondContact O-CE1 3.37Å; F51-H326 AromaticContact CD1-NE2 3.94Å; Q104-H326 PolarHBondContact NE2-O 3.02Å; N322-H326 HydrophobicContact CB-CB 3.98Å; K323-H326 WeakPolarHBondContact O-CB 3.28Å; K323-H326 PolarHBondContact O-N 3Å; F324-H326 VanDerWaalsContact C-N 3.34Å; F324-H326 PolarHBondContact O-N 3.46Å; H326-S328 VanDerWaalsContact C-N 3.27Å; H326-S328 PolarHBondContact O-N 3.45Å; H326-D331 IonicContact CD2-OD2 2.68Å; H326-D331 IonicContact CE1-OD2 3.4Å; H326-D331 PolarHBondContact CE1-OD2 3.42Å; H326-D331 IonicContact NE2-OD2 3.33Å; H326-D331 PolarHBondContact NE2-OD2 2.99Å; H326-Y501 WeakPolarHBondContact O-CE1 3.42Å | ||
| 327 | N | 95.4 | Very high | 96.2 | Very high | 61 Ų | 61 | 36.6 Ų | 36.6 | 33% | 0.326 | 18% | 0.178 | S | C | . | . | trans | -77.9 | 77.1 | -179.6 | -172.8 | -13.4 | 0 | 0 | 0 | 111.1 | H325 L329 R330 | H325-N327 PolarHBondContact O-N 2.86Å; N327-L329 VanDerWaalsContact C-N 3.3Å; N327-L329 PolarHBondContact O-N 2.99Å; N327-L329 PolarHBondContact OD1-N 3.4Å; N327-R330 HydrophobicContact CB-CB 4.43Å; N327-R330 PolarHBondContact O-N 3.38Å; N327-R330 PolarHBondContact OD1-N 2.85Å | ||
| 328 | S | 95.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -70 | -23.9 | 178.2 | 47.7 | 0 | 0 | 0 | 0 | 113 | Q104 H326 R330 D331 C332 Y501 | Q104-S328 VanDerWaalsContact OE1-CB 3.26Å; Q104-S328 PolarHBondContact OE1-OG 3.08Å; H326-S328 VanDerWaalsContact C-N 3.27Å; H326-S328 PolarHBondContact O-N 3.45Å; S328-R330 PolarHBondContact O-N 3.32Å; S328-D331 PolarHBondContact O-N 2.82Å; S328-C332 WeakPolarHBondContact O-CB 3.35Å; S328-C332 PolarHBondContact O-N 3.07Å; S328-C332 PolarHBondContact O-SG 3.09Å; S328-Y501 WeakPolarHBondContact OG-CE1 3.39Å; S328-Y501 PolarHBondContact OG-OH 3.27Å |
| 329 | L | 95.7 | Very high | 96.2 | Very high | 31 Ų | 31 | 38.1 Ų | 38.1 | 16% | 0.162 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.2 | -47.2 | 172.6 | 177.2 | 63.7 | 0 | 0 | 0 | 112.1 | L97 N327 D331 C332 C333 Y501 F503 L505 | L97-L329 HydrophobicContact CD1-CB 4.2Å; L97-L329 HydrophobicContact CD1-CD1 3.93Å; L97-L329 HydrophobicContact CD2-CD1 3.57Å; L97-L329 HydrophobicContact CG-CD1 4.38Å; N327-L329 VanDerWaalsContact C-N 3.3Å; N327-L329 PolarHBondContact O-N 2.99Å; N327-L329 PolarHBondContact OD1-N 3.4Å; L329-D331 VanDerWaalsContact C-N 3.28Å; L329-D331 PolarHBondContact O-N 3.36Å; L329-C332 PolarHBondContact O-N 3.3Å; L329-C333 PolarHBondContact O-N 3.22Å; L329-C333 PolarHBondContact O-SG 3.06Å; L329-Y501 HydrophobicContact CB-CD2 4.36Å; L329-Y501 HydrophobicContact CB-CE2 3.94Å; L329-F503 HydrophobicContact CD2-CE2 3.57Å; L329-F503 HydrophobicContact CD2-CZ 3.63Å; L329-L505 HydrophobicContact CD2-CD2 4.15Å |
| 330 | R | 96.1 | Very high | 96.2 | Very high | 136 Ų | 136 | 38.8 Ų | 38.8 | 51% | 0.513 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -55.7 | -47.4 | 175.7 | 172.6 | -173.1 | 162.2 | -125.5 | -3.2 | 110.8 | N327 S328 C333 L334 | N327-R330 HydrophobicContact CB-CB 4.43Å; N327-R330 PolarHBondContact O-N 3.38Å; N327-R330 PolarHBondContact OD1-N 2.85Å; S328-R330 PolarHBondContact O-N 3.32Å; R330-C333 PolarHBondContact O-N 3.37Å; R330-L334 WeakPolarHBondContact O-CB 3.04Å; R330-L334 PolarHBondContact O-N 2.99Å |
| 331 | D | 97.4 | Very high | 96.2 | Very high | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.011 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -68.6 | -35.9 | -176.6 | -67.1 | -6.6 | 0 | 0 | 0 | 111.4 | F51 F52 H326 S328 L329 L334 F335 | F51-D331 HydrophobicContact CD1-CB 3.87Å; F51-D331 WeakPolarHBondContact CD1-OD2 3.27Å; F51-D331 HydrophobicContact CE1-CB 3.83Å; F52-D331 HydrophobicContact CB-CB 4.27Å; F52-D331 HydrophobicContact CD2-CB 4.28Å; H326-D331 IonicContact CD2-OD2 2.68Å; H326-D331 IonicContact CE1-OD2 3.4Å; H326-D331 PolarHBondContact CE1-OD2 3.42Å; H326-D331 IonicContact NE2-OD2 3.33Å; H326-D331 PolarHBondContact NE2-OD2 2.99Å; S328-D331 PolarHBondContact O-N 2.82Å; L329-D331 VanDerWaalsContact C-N 3.28Å; L329-D331 PolarHBondContact O-N 3.36Å; D331-L334 PolarHBondContact O-N 3.11Å; D331-F335 WeakPolarHBondContact O-CB 3.48Å; D331-F335 PolarHBondContact O-N 2.85Å |
| 332 | C | 97.2 | Very high | 96.3 | Very high | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.014 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.1 | -45.1 | 173.3 | -64.8 | 0 | 0 | 0 | 0 | 112 | F96 L97 S328 L329 F335 A336 | F96-C332 HydrophobicContact CD1-CB 3.97Å; F96-C332 WeakPolarHBondContact CD1-SG 3.47Å; F96-C332 HydrophobicContact CE1-CB 4.23Å; F96-C332 VanDerWaalsContact CE1-SG 3.52Å; L97-C332 HydrophobicContact CD1-CB 4.48Å; S328-C332 WeakPolarHBondContact O-CB 3.35Å; S328-C332 PolarHBondContact O-N 3.07Å; S328-C332 PolarHBondContact O-SG 3.09Å; L329-C332 PolarHBondContact O-N 3.3Å; C332-F335 WeakPolarHBondContact O-CB 3.48Å; C332-F335 PolarHBondContact O-N 3.46Å; C332-A336 PolarHBondContact O-N 2.92Å |
| 333 | C | 96.4 | Very high | 96.3 | Very high | 64 Ų | 64 | 43.8 Ų | 43.8 | 43% | 0.432 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -66.6 | -42.6 | 178 | -69.3 | 0 | 0 | 0 | 0 | 112 | L329 R330 F335 A336 L337 | L329-C333 PolarHBondContact O-N 3.22Å; L329-C333 PolarHBondContact O-SG 3.06Å; R330-C333 PolarHBondContact O-N 3.37Å; C333-F335 VanDerWaalsContact C-N 3.32Å; C333-A336 PolarHBondContact O-N 3.46Å; C333-L337 PolarHBondContact O-N 2.97Å |
| 334 | L | 97.6 | Very high | 96.5 | Very high | 62 Ų | 62 | 40.7 Ų | 40.7 | 33% | 0.325 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -65.2 | -39.9 | 176 | -176 | 61.7 | 0 | 0 | 0 | 111 | F52 R330 D331 A336 L337 V338 | F52-L334 HydrophobicContact CD1-CD2 4.38Å; F52-L334 HydrophobicContact CD2-CB 4.47Å; F52-L334 HydrophobicContact CD2-CD2 4.21Å; F52-L334 HydrophobicContact CD2-CG 4.41Å; F52-L334 HydrophobicContact CE1-CD2 3.86Å; F52-L334 HydrophobicContact CE1-CG 4.38Å; F52-L334 HydrophobicContact CE2-CB 3.85Å; F52-L334 HydrophobicContact CE2-CD2 3.69Å; F52-L334 HydrophobicContact CE2-CG 3.55Å; F52-L334 HydrophobicContact CZ-CB 4.35Å; F52-L334 HydrophobicContact CZ-CD2 3.49Å; F52-L334 VanDerWaalsContact CZ-CD2 3.49Å; F52-L334 HydrophobicContact CZ-CG 3.52Å; R330-L334 WeakPolarHBondContact O-CB 3.04Å; R330-L334 PolarHBondContact O-N 2.99Å; D331-L334 PolarHBondContact O-N 3.11Å; L334-A336 PolarHBondContact O-N 3.29Å; L334-L337 WeakPolarHBondContact O-CB 3.28Å; L334-L337 PolarHBondContact O-N 3.27Å; L334-V338 HydrophobicContact CD1-CG2 4.37Å; L334-V338 HydrophobicContact CG-CG2 4.49Å; L334-V338 WeakPolarHBondContact O-CG2 3.18Å; L334-V338 PolarHBondContact O-N 3.15Å |
| 335 | F | 97.8 | Very high | 96.6 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 0% | 0.004 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.5 | -48.4 | 175.7 | 164.6 | -98.8 | 0 | 0 | 0 | 110.8 | F52 C55 L56 S59 F96 Y308 D331 C332 C333 L337 V338 N339 | F52-F335 HydrophobicContact CE2-CB 4.19Å; C55-F335 HydrophobicContact CB-CD2 4.22Å; L56-F335 HydrophobicContact CD2-CD2 3.95Å; S59-F335 VanDerWaalsContact CB-CE2 3.49Å; F96-F335 AromaticContact CD2-CD1 3.92Å; F96-F335 HydrophobicContact CD2-CD1 3.92Å; F96-F335 AromaticContact CD2-CE1 3.64Å; F96-F335 HydrophobicContact CD2-CE1 3.64Å; F96-F335 HydrophobicContact CD2-CZ 4.46Å; F96-F335 HydrophobicContact CE1-CD1 4.27Å; F96-F335 AromaticContact CE2-CD1 3.55Å; F96-F335 HydrophobicContact CE2-CD1 3.55Å; F96-F335 AromaticContact CE2-CE1 3.37Å; F96-F335 HydrophobicContact CE2-CE1 3.37Å; F96-F335 HydrophobicContact CE2-CE2 4.47Å; F96-F335 HydrophobicContact CE2-CG 4.18Å; F96-F335 AromaticContact CE2-CZ 3.89Å; F96-F335 HydrophobicContact CE2-CZ 3.89Å; F96-F335 HydrophobicContact CG-CD1 4.42Å; F96-F335 HydrophobicContact CG-CE1 4.5Å; F96-F335 AromaticContact CZ-CD1 3.74Å; F96-F335 HydrophobicContact CZ-CD1 3.74Å; F96-F335 HydrophobicContact CZ-CE1 4.04Å; F96-F335 HydrophobicContact CZ-CG 4.03Å; Y308-F335 HydrophobicContact CD1-CD1 4.25Å; Y308-F335 AromaticContact CD1-CE1 3.51Å; Y308-F335 HydrophobicContact CD1-CE1 3.51Å; Y308-F335 HydrophobicContact CD1-CZ 4.49Å; Y308-F335 HydrophobicContact CD2-CE1 4.29Å; Y308-F335 HydrophobicContact CE1-CD1 4.11Å; Y308-F335 AromaticContact CE1-CE1 3.68Å; Y308-F335 HydrophobicContact CE1-CE1 3.68Å; Y308-F335 HydrophobicContact CE2-CE1 4.46Å; Y308-F335 AromaticContact CG-CE1 3.8Å; Y308-F335 HydrophobicContact CG-CE1 3.8Å; Y308-F335 HydrophobicContact CG-CZ 4.38Å; D331-F335 WeakPolarHBondContact O-CB 3.48Å; D331-F335 PolarHBondContact O-N 2.85Å; C332-F335 WeakPolarHBondContact O-CB 3.48Å; C332-F335 PolarHBondContact O-N 3.46Å; C333-F335 VanDerWaalsContact C-N 3.32Å; F335-L337 VanDerWaalsContact C-N 3.28Å; F335-L337 PolarHBondContact O-N 3.27Å; F335-V338 PolarHBondContact O-N 3.45Å; F335-V338 VanDerWaalsContact O-N 3.15Å; F335-N339 HydrophobicContact CE1-CB 4.34Å; F335-N339 HydrophobicContact CE2-CB 3.97Å; F335-N339 HydrophobicContact CZ-CB 3.86Å; F335-N339 VanDerWaalsContact O-CB 3.28Å; F335-N339 WeakPolarHBondContact O-CB 3.35Å; F335-N339 PolarHBondContact O-N 3.34Å |
| 336 | A | 97.9 | Very high | 96.6 | Very high | 5 Ų | 5 | 36 Ų | 36 | 4% | 0.041 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58 | -40.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | V88 I93 Y308 C332 C333 L334 T340 | V88-A336 HydrophobicContact CG1-CB 4.5Å; I93-A336 HydrophobicContact CD1-CB 3.79Å; I93-A336 HydrophobicContact CG1-CB 3.58Å; Y308-A336 HydrophobicContact CE1-CB 4.11Å; Y308-A336 WeakPolarHBondContact OH-CA 3.36Å; Y308-A336 WeakPolarHBondContact OH-CB 3.25Å; C332-A336 PolarHBondContact O-N 2.92Å; C333-A336 PolarHBondContact O-N 3.46Å; L334-A336 PolarHBondContact O-N 3.29Å; A336-T340 VanDerWaalsContact O-CB 3.28Å; A336-T340 WeakPolarHBondContact O-CB 3.17Å; A336-T340 PolarHBondContact O-N 3.09Å; A336-T340 PolarHBondContact O-OG1 3.49Å |
| 337 | L | 97.5 | Very high | 96.7 | Very high | 119 Ų | 119 | 34.2 Ų | 34.2 | 62% | 0.623 | 17% | 0.173 | S | C | * | . | H | α-helix | trans | -63.6 | -51.6 | 174.5 | -175.7 | 77.8 | 0 | 0 | 0 | 111.4 | C333 L334 F335 T340 F341 | C333-L337 PolarHBondContact O-N 2.97Å; L334-L337 WeakPolarHBondContact O-CB 3.28Å; L334-L337 PolarHBondContact O-N 3.27Å; F335-L337 VanDerWaalsContact C-N 3.28Å; F335-L337 PolarHBondContact O-N 3.27Å; L337-T340 PolarHBondContact O-N 2.91Å; L337-F341 WeakPolarHBondContact O-CB 3.19Å; L337-F341 PolarHBondContact O-N 2.96Å |
| 338 | V | 97.3 | Very high | 96.7 | Very high | 31 Ų | 31 | 32.7 Ų | 32.7 | 19% | 0.188 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -68.5 | -40.9 | -175.7 | 177.6 | 0 | 0 | 0 | 0 | 111.6 | F52 L56 I60 Y260 L334 F335 T340 F341 T342 | F52-V338 HydrophobicContact CZ-CG2 4.19Å; L56-V338 HydrophobicContact CD1-CG1 4.32Å; L56-V338 HydrophobicContact CD2-CB 3.84Å; L56-V338 HydrophobicContact CD2-CG1 3.57Å; I60-V338 HydrophobicContact CD1-CG1 3.94Å; Y260-V338 WeakPolarHBondContact OH-CG1 3.44Å; L334-V338 HydrophobicContact CD1-CG2 4.37Å; L334-V338 HydrophobicContact CG-CG2 4.49Å; L334-V338 WeakPolarHBondContact O-CG2 3.18Å; L334-V338 PolarHBondContact O-N 3.15Å; F335-V338 PolarHBondContact O-N 3.45Å; F335-V338 VanDerWaalsContact O-N 3.15Å; V338-T340 VanDerWaalsContact C-N 3.33Å; V338-T340 PolarHBondContact O-N 3.21Å; V338-F341 PolarHBondContact O-N 3.22Å; V338-T342 WeakPolarHBondContact O-CB 3.15Å; V338-T342 PolarHBondContact O-N 2.65Å; V338-T342 PolarHBondContact O-OG1 2.89Å |
| 339 | N | 97 | Very high | 96.7 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.6 | -43.6 | 176 | 180 | 63.3 | 0 | 0 | 0 | 111.6 | I60 N64 S307 Y308 F335 T342 S343 | I60-N339 HydrophobicContact CG1-CB 4.42Å; N64-N339 PolarHBondContact ND2-OD1 3.17Å; S307-N339 PolarHBondContact OG-ND2 3.28Å; S307-N339 PolarHBondContact OG-OD1 3.33Å; Y308-N339 WeakPolarHBondContact CE2-ND2 3.31Å; F335-N339 HydrophobicContact CE1-CB 4.34Å; F335-N339 HydrophobicContact CE2-CB 3.97Å; F335-N339 HydrophobicContact CZ-CB 3.86Å; F335-N339 VanDerWaalsContact O-CB 3.28Å; F335-N339 WeakPolarHBondContact O-CB 3.35Å; F335-N339 PolarHBondContact O-N 3.34Å; N339-T342 PolarHBondContact O-N 3.14Å; N339-S343 PolarHBondContact O-N 3.18Å; N339-S343 PolarHBondContact O-OG 3.06Å |
| 340 | T | 96.7 | Very high | 96.6 | Very high | 15 Ų | 15 | 31.7 Ų | 31.7 | 9% | 0.092 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -66.9 | -46.1 | 177.2 | -60 | 0 | 0 | 0 | 0 | 112 | Y84 F85 A336 L337 V338 T342 S343 L344 | Y84-T340 HydrophobicContact CE1-CG2 3.89Å; F85-T340 HydrophobicContact CD1-CG2 4.23Å; F85-T340 HydrophobicContact CE1-CG2 3.53Å; F85-T340 HydrophobicContact CZ-CG2 4.43Å; A336-T340 VanDerWaalsContact O-CB 3.28Å; A336-T340 WeakPolarHBondContact O-CB 3.17Å; A336-T340 PolarHBondContact O-N 3.09Å; A336-T340 PolarHBondContact O-OG1 3.49Å; L337-T340 PolarHBondContact O-N 2.91Å; V338-T340 VanDerWaalsContact C-N 3.33Å; V338-T340 PolarHBondContact O-N 3.21Å; T340-T342 VanDerWaalsContact C-N 3.28Å; T340-T342 PolarHBondContact O-N 3.33Å; T340-S343 PolarHBondContact O-N 3.09Å; T340-L344 HydrophobicContact CG2-CD1 4.48Å; T340-L344 WeakPolarHBondContact O-CG 3.3Å; T340-L344 PolarHBondContact O-N 2.81Å; T340-L344 VanDerWaalsContact O-N 3.08Å |
| 341 | F | 96.3 | Very high | 96.6 | Very high | 117 Ų | 117 | 25.2 Ų | 25.2 | 51% | 0.513 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -56.9 | -44.1 | 173.8 | 170.7 | -102.1 | 0 | 0 | 0 | 111.5 | L337 V338 S343 L344 L345 | L337-F341 WeakPolarHBondContact O-CB 3.19Å; L337-F341 PolarHBondContact O-N 2.96Å; V338-F341 PolarHBondContact O-N 3.22Å; F341-S343 PolarHBondContact O-N 2.84Å; F341-L344 PolarHBondContact O-N 2.98Å; F341-L345 HydrophobicContact CE1-CD2 4Å; F341-L345 HydrophobicContact CZ-CD2 4.25Å; F341-L345 WeakPolarHBondContact O-CB 3.41Å; F341-L345 PolarHBondContact O-N 3.16Å |
| 342 | T | 96.3 | Very high | 96.5 | Very high | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.006 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.3 | -42.6 | -178.5 | -53.1 | 0 | 0 | 0 | 0 | 111.4 | I60 Y260 M263 V338 N339 T340 L344 L345 S346 | I60-T342 HydrophobicContact CG2-CG2 3.41Å; I60-T342 VanDerWaalsContact CG2-CG2 3.41Å; Y260-T342 HydrophobicContact CE1-CG2 3.91Å; Y260-T342 VanDerWaalsContact CE1-OG1 3.27Å; Y260-T342 WeakPolarHBondContact CE1-OG1 3.29Å; Y260-T342 PolarHBondContact OH-OG1 3.44Å; M263-T342 HydrophobicContact CE-CG2 3.85Å; M263-T342 HydrophobicContact SD-CG2 4.42Å; V338-T342 WeakPolarHBondContact O-CB 3.15Å; V338-T342 PolarHBondContact O-N 2.65Å; V338-T342 PolarHBondContact O-OG1 2.89Å; N339-T342 PolarHBondContact O-N 3.14Å; T340-T342 VanDerWaalsContact C-N 3.28Å; T340-T342 PolarHBondContact O-N 3.33Å; T342-L344 VanDerWaalsContact C-N 3.33Å; T342-L344 PolarHBondContact O-N 2.89Å; T342-L345 PolarHBondContact O-N 3.15Å; T342-S346 WeakPolarHBondContact O-CB 3.37Å; T342-S346 PolarHBondContact O-N 2.94Å; T342-S346 PolarHBondContact O-OG 3.14Å |
| 343 | S | 97 | Very high | 96.3 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -57.6 | -45.8 | 174.6 | -54.4 | 0 | 0 | 0 | 0 | 111.7 | N64 F68 N339 T340 F341 G347 | N64-S343 PolarHBondContact ND2-OG 2.93Å; F68-S343 WeakPolarHBondContact CD1-O 3.33Å; F68-S343 VanDerWaalsContact CE1-C 3.41Å; F68-S343 VanDerWaalsContact CE1-O 3.25Å; F68-S343 WeakPolarHBondContact CE1-O 3.31Å; N339-S343 PolarHBondContact O-N 3.18Å; N339-S343 PolarHBondContact O-OG 3.06Å; T340-S343 PolarHBondContact O-N 3.09Å; F341-S343 PolarHBondContact O-N 2.84Å; S343-G347 PolarHBondContact O-N 2.91Å |
| 344 | L | 96.9 | Very high | 96.2 | Very high | 48 Ų | 48 | 22.3 Ų | 22.3 | 25% | 0.251 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -65.1 | -44.5 | 177.1 | -69.1 | 173 | 0 | 0 | 0 | 112.3 | F68 L81 Y283 T340 F341 T342 G347 C348 | F68-L344 HydrophobicContact CE1-CD2 4.18Å; F68-L344 HydrophobicContact CZ-CD2 3.99Å; L81-L344 HydrophobicContact CD1-CD2 4.12Å; L81-L344 HydrophobicContact CD2-CD2 3.77Å; Y283-L344 PolarHBondContact OH-O 3.12Å; T340-L344 HydrophobicContact CG2-CD1 4.48Å; T340-L344 WeakPolarHBondContact O-CG 3.3Å; T340-L344 PolarHBondContact O-N 2.81Å; T340-L344 VanDerWaalsContact O-N 3.08Å; F341-L344 PolarHBondContact O-N 2.98Å; T342-L344 VanDerWaalsContact C-N 3.33Å; T342-L344 PolarHBondContact O-N 2.89Å; L344-G347 PolarHBondContact O-N 3.08Å; L344-C348 PolarHBondContact O-N 3.42Å; L344-C348 PolarHBondContact O-SG 2.73Å; L344-C348 VanDerWaalsContact O-SG 3.39Å |
| 345 | L | 96.3 | Very high | 96 | Very high | 21 Ų | 21 | 19.5 Ų | 19.5 | 11% | 0.11 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -60.9 | -47.9 | 177.7 | 176.5 | 64 | 0 | 0 | 0 | 111.4 | Y260 M263 L267 F341 T342 G347 C348 V349 | Y260-L345 HydrophobicContact CD1-CD2 4.34Å; M263-L345 HydrophobicContact CB-CD2 4.48Å; M263-L345 HydrophobicContact CE-CD2 4.34Å; L267-L345 HydrophobicContact CD2-CD1 3.73Å; F341-L345 HydrophobicContact CE1-CD2 4Å; F341-L345 HydrophobicContact CZ-CD2 4.25Å; F341-L345 WeakPolarHBondContact O-CB 3.41Å; F341-L345 PolarHBondContact O-N 3.16Å; T342-L345 PolarHBondContact O-N 3.15Å; L345-G347 VanDerWaalsContact C-N 3.26Å; L345-G347 PolarHBondContact O-N 3.29Å; L345-C348 WeakPolarHBondContact O-CB 3.19Å; L345-C348 PolarHBondContact O-N 3Å; L345-C348 VanDerWaalsContact O-N 3.13Å; L345-V349 PolarHBondContact O-N 3.35Å; L345-V349 VanDerWaalsContact O-N 3.09Å |
| 346 | S | 95.6 | Very high | 95.8 | Very high | 2 Ų | 2 | 20.9 Ų | 20.9 | 1% | 0.014 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59.2 | -41 | 175.1 | -59.7 | 0 | 0 | 0 | 0 | 110.9 | N64 M263 T342 C348 V349 I350 | N64-S346 WeakPolarHBondContact O-CB 3.38Å; M263-S346 PolarHBondContact SD-OG 2.86Å; T342-S346 WeakPolarHBondContact O-CB 3.37Å; T342-S346 PolarHBondContact O-N 2.94Å; T342-S346 PolarHBondContact O-OG 3.14Å; S346-C348 VanDerWaalsContact C-N 3.31Å; S346-C348 PolarHBondContact O-N 2.87Å; S346-V349 WeakPolarHBondContact O-CB 2.9Å; S346-V349 PolarHBondContact O-N 3.25Å; S346-V349 VanDerWaalsContact O-N 3.08Å; S346-I350 WeakPolarHBondContact O-CG1 3.45Å; S346-I350 PolarHBondContact O-N 2.96Å |
| 347 | G | 96 | Very high | 95.4 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -59.4 | -38.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | P69 S343 L344 L345 I350 F351 | P69-G347 VanDerWaalsContact CG-CA 3.44Å; S343-G347 PolarHBondContact O-N 2.91Å; L344-G347 PolarHBondContact O-N 3.08Å; L345-G347 VanDerWaalsContact C-N 3.26Å; L345-G347 PolarHBondContact O-N 3.29Å; G347-I350 PolarHBondContact O-N 3.11Å; G347-F351 WeakPolarHBondContact O-CB 3.32Å; G347-F351 WeakPolarHBondContact O-CD2 3.43Å; G347-F351 PolarHBondContact O-N 2.87Å |
| 348 | C | 97.1 | Very high | 95.1 | Very high | 30 Ų | 30 | 16.5 Ų | 16.5 | 20% | 0.203 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -61.2 | -45.2 | 171.7 | -63 | 0 | 0 | 0 | 0 | 111.8 | L267 L280 L344 L345 S346 C352 | L267-C348 HydrophobicContact CD1-CB 3.92Å; L280-C348 HydrophobicContact CD1-CB 4.31Å; L344-C348 PolarHBondContact O-N 3.42Å; L344-C348 PolarHBondContact O-SG 2.73Å; L344-C348 VanDerWaalsContact O-SG 3.39Å; L345-C348 WeakPolarHBondContact O-CB 3.19Å; L345-C348 PolarHBondContact O-N 3Å; L345-C348 VanDerWaalsContact O-N 3.13Å; S346-C348 VanDerWaalsContact C-N 3.31Å; S346-C348 PolarHBondContact O-N 2.87Å; C348-C352 VanDerWaalsContact O-CB 3.26Å; C348-C352 WeakPolarHBondContact O-CB 3.16Å; C348-C352 PolarHBondContact O-N 3.47Å; C348-C352 PolarHBondContact O-SG 2.88Å |
| 349 | V | 94.6 | Very high | 94.9 | Very high | 5 Ų | 5 | 21.7 Ų | 21.7 | 3% | 0.03 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -60.2 | -49.8 | 177.8 | 177.6 | 0 | 0 | 0 | 0 | 111 | M263 L266 L267 L345 S346 T353 Y380 | M263-V349 HydrophobicContact CB-CG2 4.32Å; M263-V349 WeakPolarHBondContact O-CG2 3.36Å; L266-V349 HydrophobicContact CB-CG1 4.01Å; L267-V349 HydrophobicContact CB-CG2 3.84Å; L267-V349 HydrophobicContact CD1-CG2 4.3Å; L345-V349 PolarHBondContact O-N 3.35Å; L345-V349 VanDerWaalsContact O-N 3.09Å; S346-V349 WeakPolarHBondContact O-CB 2.9Å; S346-V349 PolarHBondContact O-N 3.25Å; S346-V349 VanDerWaalsContact O-N 3.08Å; V349-T353 PolarHBondContact O-N 3.38Å; V349-T353 PolarHBondContact O-OG1 3.38Å; V349-Y380 PolarHBondContact O-OH 3.44Å |
| 350 | I | 94.4 | Very high | 94.4 | Very high | 4 Ų | 4 | 23.3 Ų | 23.3 | 2% | 0.021 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -58.3 | -54.2 | 179.2 | -61.8 | -55.5 | 0 | 0 | 0 | 110.5 | V65 P69 S346 G347 T353 L354 L375 Y380 | V65-I350 HydrophobicContact CG1-CD1 4.19Å; V65-I350 WeakPolarHBondContact O-CD1 3.26Å; V65-I350 WeakPolarHBondContact O-CG1 3.17Å; P69-I350 HydrophobicContact CB-CB 4.13Å; P69-I350 HydrophobicContact CB-CG1 4.15Å; P69-I350 HydrophobicContact CB-CG2 4.28Å; P69-I350 HydrophobicContact CG-CB 4.43Å; P69-I350 HydrophobicContact CG-CG1 3.97Å; S346-I350 WeakPolarHBondContact O-CG1 3.45Å; S346-I350 PolarHBondContact O-N 2.96Å; G347-I350 PolarHBondContact O-N 3.11Å; I350-T353 WeakPolarHBondContact O-CB 3.39Å; I350-T353 PolarHBondContact O-N 2.66Å; I350-T353 VanDerWaalsContact O-N 3.16Å; I350-L354 HydrophobicContact CG2-CD1 3.77Å; I350-L354 HydrophobicContact CG2-CG 4.14Å; I350-L354 WeakPolarHBondContact O-CG 3.49Å; I350-L354 PolarHBondContact O-N 3.1Å; I350-L375 HydrophobicContact CD1-CD2 4.28Å; I350-L375 HydrophobicContact CG2-CD1 4.4Å; I350-L375 HydrophobicContact CG2-CD2 4.03Å; I350-Y380 WeakPolarHBondContact CA-OH 3.32Å; I350-Y380 HydrophobicContact CD1-CD2 4.29Å; I350-Y380 HydrophobicContact CD1-CE2 3.31Å; I350-Y380 WeakPolarHBondContact CD1-OH 3.31Å; I350-Y380 HydrophobicContact CG1-CE2 4.45Å; I350-Y380 HydrophobicContact CG2-CE2 4.41Å; I350-Y380 PolarHBondContact N-OH 3.48Å |
| 351 | F | 95.6 | Very high | 93.8 | Very high | 1 Ų | 1 | 23.8 Ų | 23.8 | 0% | 0.004 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -77.8 | -26.1 | -171.4 | -82.8 | -92.8 | 0 | 0 | 0 | 114 | P69 Y73 G279 Y283 G347 T353 L354 G355 L365 | P69-F351 HydrophobicContact CB-CD2 4.09Å; P69-F351 HydrophobicContact CB-CE2 3.72Å; P69-F351 VanDerWaalsContact O-CE2 3.32Å; P69-F351 WeakPolarHBondContact O-CE2 3.43Å; Y73-F351 HydrophobicContact CD1-CE1 4.16Å; Y73-F351 HydrophobicContact CD1-CZ 4.07Å; Y73-F351 AromaticContact CD2-CE1 3.68Å; Y73-F351 HydrophobicContact CD2-CE1 3.68Å; Y73-F351 HydrophobicContact CD2-CZ 4.11Å; Y73-F351 HydrophobicContact CE2-CE1 4.35Å; Y73-F351 AromaticContact CG-CE1 3.58Å; Y73-F351 HydrophobicContact CG-CE1 3.58Å; Y73-F351 AromaticContact CG-CZ 3.54Å; Y73-F351 HydrophobicContact CG-CZ 3.54Å; G279-F351 VanDerWaalsContact CA-O 3.31Å; G279-F351 WeakPolarHBondContact CA-O 3.38Å; Y283-F351 AromaticContact CD2-CD2 3.76Å; Y283-F351 HydrophobicContact CD2-CD2 3.76Å; Y283-F351 AromaticContact CD2-CE2 3.98Å; Y283-F351 HydrophobicContact CD2-CE2 3.98Å; Y283-F351 HydrophobicContact CD2-CG 4.31Å; Y283-F351 HydrophobicContact CG-CB 4.22Å; Y283-F351 AromaticContact CG-CD2 3.84Å; Y283-F351 HydrophobicContact CG-CD2 3.84Å; Y283-F351 HydrophobicContact CG-CE2 4.46Å; Y283-F351 AromaticContact CG-CG 3.99Å; Y283-F351 HydrophobicContact CG-CG 3.99Å; G347-F351 WeakPolarHBondContact O-CB 3.32Å; G347-F351 WeakPolarHBondContact O-CD2 3.43Å; G347-F351 PolarHBondContact O-N 2.87Å; F351-T353 VanDerWaalsContact C-N 3.31Å; F351-L354 HydrophobicContact CE1-CD1 4.37Å; F351-L354 HydrophobicContact CZ-CD1 4.42Å; F351-G355 PolarHBondContact O-N 3.1Å; F351-L365 HydrophobicContact CD1-CD1 4.45Å; F351-L365 HydrophobicContact CD1-CD2 3.92Å; F351-L365 HydrophobicContact CE1-CD1 4.39Å; F351-L365 HydrophobicContact CE1-CD2 3.85Å; F351-L365 HydrophobicContact CE1-CG 4.35Å |
| 352 | C | 95.7 | Very high | 93.3 | Very high | 3 Ų | 3 | 25.4 Ų | 25.4 | 2% | 0.02 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60.9 | -44 | 165.4 | -74.8 | 0 | 0 | 0 | 0 | 110.8 | A276 C348 G355 Y356 | A276-C352 WeakPolarHBondContact CA-O 3.25Å; A276-C352 HydrophobicContact CB-CB 4.08Å; C348-C352 VanDerWaalsContact O-CB 3.26Å; C348-C352 WeakPolarHBondContact O-CB 3.16Å; C348-C352 PolarHBondContact O-N 3.47Å; C348-C352 PolarHBondContact O-SG 2.88Å; C352-G355 PolarHBondContact O-N 3.17Å; C352-Y356 PolarHBondContact O-N 3.43Å; C352-Y356 VanDerWaalsContact O-N 3.11Å |
| 353 | T | 93 | Very high | 92.9 | Very high | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.012 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.3 | -47.4 | 178.1 | -51.7 | 0 | 0 | 0 | 0 | 111.7 | T270 V349 I350 F351 Y356 M357 Y380 A383 | T270-T353 VanDerWaalsContact CG2-OG1 3.26Å; T270-T353 WeakPolarHBondContact CG2-OG1 3.05Å; V349-T353 PolarHBondContact O-N 3.38Å; V349-T353 PolarHBondContact O-OG1 3.38Å; I350-T353 WeakPolarHBondContact O-CB 3.39Å; I350-T353 PolarHBondContact O-N 2.66Å; I350-T353 VanDerWaalsContact O-N 3.16Å; F351-T353 VanDerWaalsContact C-N 3.31Å; T353-Y356 PolarHBondContact O-N 3.46Å; T353-M357 PolarHBondContact O-N 3.42Å; T353-Y380 WeakPolarHBondContact CB-OH 3.47Å; T353-Y380 HydrophobicContact CG2-CD1 4.48Å; T353-Y380 HydrophobicContact CG2-CE1 4Å; T353-Y380 HydrophobicContact CG2-CE2 4.27Å; T353-Y380 PolarHBondContact OG1-OH 3.41Å; T353-A383 HydrophobicContact CG2-CB 3.62Å |
| 354 | L | 93.1 | Very high | 92.5 | Very high | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -68.6 | -34.2 | 178.8 | -63.7 | -178.4 | 0 | 0 | 0 | 112.7 | I350 F351 M357 S358 L365 I368 A369 L375 V379 | I350-L354 HydrophobicContact CG2-CD1 3.77Å; I350-L354 HydrophobicContact CG2-CG 4.14Å; I350-L354 WeakPolarHBondContact O-CG 3.49Å; I350-L354 PolarHBondContact O-N 3.1Å; F351-L354 HydrophobicContact CE1-CD1 4.37Å; F351-L354 HydrophobicContact CZ-CD1 4.42Å; L354-M357 PolarHBondContact O-N 3.22Å; L354-S358 VanDerWaalsContact O-CB 3.3Å; L354-S358 WeakPolarHBondContact O-CB 3.29Å; L354-S358 PolarHBondContact O-N 2.86Å; L354-L365 HydrophobicContact CB-CD1 3.49Å; L354-L365 VanDerWaalsContact CB-CD1 3.49Å; L354-L365 HydrophobicContact CD1-CD1 4.19Å; L354-L365 HydrophobicContact CG-CD1 4.46Å; L354-I368 HydrophobicContact CB-CD1 4.33Å; L354-I368 WeakPolarHBondContact O-CD1 3.41Å; L354-A369 HydrophobicContact CD1-CB 4.31Å; L354-L375 HydrophobicContact CD1-CD1 4.46Å; L354-L375 HydrophobicContact CD2-CD1 4.17Å; L354-V379 HydrophobicContact CD2-CG1 3.31Å |
| 355 | G | 95 | Very high | 92.1 | Very high | 3 Ų | 3 | 29.5 Ų | 29.5 | 3% | 0.031 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.7 | -45.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | G275 F351 C352 S358 Y359 | G275-G355 CarbonylContact O-C 3.3Å; G275-G355 VanDerWaalsContact O-C 3.3Å; G275-G355 WeakPolarHBondContact O-CA 3.42Å; F351-G355 PolarHBondContact O-N 3.1Å; C352-G355 PolarHBondContact O-N 3.17Å; G355-S358 PolarHBondContact O-N 2.85Å; G355-Y359 WeakPolarHBondContact O-CB 3.24Å; G355-Y359 PolarHBondContact O-N 3.3Å |
| 356 | Y | 92.7 | Very high | 91.7 | Very high | 29 Ų | 29 | 33.7 Ų | 33.7 | 11% | 0.114 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.3 | -49.1 | 171.2 | 165.6 | -111.8 | 0 | 0 | 0 | 111.7 | L273 D274 C352 T353 S358 Y359 I360 T386 M387 | L273-Y356 HydrophobicContact CB-CD2 3.56Å; L273-Y356 HydrophobicContact CB-CE2 4.14Å; L273-Y356 HydrophobicContact CB-CG 3.82Å; L273-Y356 HydrophobicContact CD1-CD1 3.68Å; L273-Y356 HydrophobicContact CD1-CD2 4.02Å; L273-Y356 HydrophobicContact CD1-CE1 3.87Å; L273-Y356 HydrophobicContact CD1-CE2 4.2Å; L273-Y356 HydrophobicContact CD1-CG 3.74Å; L273-Y356 HydrophobicContact CD2-CE2 4.48Å; L273-Y356 HydrophobicContact CG-CD2 4.29Å; L273-Y356 HydrophobicContact CG-CG 4.39Å; D274-Y356 WeakPolarHBondContact O-CA 3.35Å; D274-Y356 WeakPolarHBondContact O-CD2 3.44Å; C352-Y356 PolarHBondContact O-N 3.43Å; C352-Y356 VanDerWaalsContact O-N 3.11Å; T353-Y356 PolarHBondContact O-N 3.46Å; Y356-S358 VanDerWaalsContact C-N 3.32Å; Y356-S358 PolarHBondContact O-N 3.25Å; Y356-Y359 WeakPolarHBondContact O-CB 3.48Å; Y356-Y359 PolarHBondContact O-N 3.31Å; Y356-Y359 VanDerWaalsContact O-N 3.13Å; Y356-I360 HydrophobicContact CD1-CD1 4.36Å; Y356-I360 HydrophobicContact CD2-CG2 3.83Å; Y356-I360 HydrophobicContact CE1-CD1 3.75Å; Y356-I360 HydrophobicContact CE2-CD1 4.23Å; Y356-I360 HydrophobicContact CE2-CG2 3.37Å; Y356-I360 WeakPolarHBondContact O-CG1 3.33Å; Y356-I360 PolarHBondContact O-N 3.28Å; Y356-T386 VanDerWaalsContact CE1-OG1 3.26Å; Y356-T386 WeakPolarHBondContact CE1-OG1 3.3Å; Y356-T386 PolarHBondContact OH-OG1 2.95Å; Y356-T386 VanDerWaalsContact OH-OG1 3.07Å; Y356-M387 HydrophobicContact CD1-CE 4.41Å; Y356-M387 HydrophobicContact CE1-CE 4.35Å |
| 357 | M | 89.7 | Confident | 91.2 | Very high | 4 Ų | 4 | 39.6 Ų | 39.6 | 2% | 0.02 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59 | -43.3 | 179.1 | -171.4 | 61.6 | -173.5 | 0 | 0 | 112.3 | F174 T353 L354 Y359 I360 S361 I368 K382 A383 | F174-M357 HydrophobicContact CD2-CE 3.79Å; F174-M357 HydrophobicContact CE2-CE 3.38Å; F174-M357 HydrophobicContact CE2-SD 4.38Å; F174-M357 HydrophobicContact CZ-CE 3.81Å; F174-M357 HydrophobicContact CZ-SD 4.23Å; T353-M357 PolarHBondContact O-N 3.42Å; L354-M357 PolarHBondContact O-N 3.22Å; M357-Y359 VanDerWaalsContact C-N 3.33Å; M357-Y359 PolarHBondContact O-N 3.01Å; M357-I360 WeakPolarHBondContact O-CG1 3.46Å; M357-I360 HydrophobicContact SD-CD1 4.01Å; M357-I360 HydrophobicContact SD-CG1 4.29Å; M357-S361 WeakPolarHBondContact CE-OG 3.33Å; M357-S361 WeakPolarHBondContact O-CB 3.31Å; M357-S361 PolarHBondContact O-N 3.45Å; M357-S361 PolarHBondContact O-OG 3.48Å; M357-I368 HydrophobicContact CB-CD1 4.27Å; M357-I368 HydrophobicContact CG-CD1 4.39Å; M357-K382 HydrophobicContact CE-CD 3.56Å; M357-K382 VanDerWaalsContact CE-CE 3.44Å; M357-K382 HydrophobicContact CE-CG 3.56Å; M357-A383 HydrophobicContact CB-CB 4.45Å; M357-A383 HydrophobicContact SD-CB 4.29Å |
| 358 | S | 91.2 | Very high | 90.6 | Very high | 28 Ų | 28 | 40.5 Ų | 40.5 | 20% | 0.196 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.7 | -43.8 | 175.8 | -178.4 | 0 | 0 | 0 | 0 | 111.5 | L354 G355 Y356 N362 I363 | L354-S358 VanDerWaalsContact O-CB 3.3Å; L354-S358 WeakPolarHBondContact O-CB 3.29Å; L354-S358 PolarHBondContact O-N 2.86Å; G355-S358 PolarHBondContact O-N 2.85Å; Y356-S358 VanDerWaalsContact C-N 3.32Å; Y356-S358 PolarHBondContact O-N 3.25Å; S358-N362 WeakPolarHBondContact O-CA 3.21Å; S358-N362 PolarHBondContact O-N 3.47Å; S358-I363 WeakPolarHBondContact CA-O 3.27Å; S358-I363 WeakPolarHBondContact CB-O 3.5Å; S358-I363 PolarHBondContact O-N 3.4Å; S358-I363 PolarHBondContact OG-O 3.42Å |
| 359 | Y | 91.8 | Very high | 89.9 | Confident | 141 Ų | 141 | 39.5 Ų | 39.5 | 55% | 0.553 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -64.4 | -50.5 | 179.4 | 177.9 | -98.4 | 0 | 0 | 0 | 112.5 | D274 G355 Y356 M357 S361 N362 | D274-Y359 HydrophobicContact CB-CD1 3.72Å; D274-Y359 HydrophobicContact CB-CE1 3.47Å; D274-Y359 VanDerWaalsContact CB-CE1 3.47Å; G355-Y359 WeakPolarHBondContact O-CB 3.24Å; G355-Y359 PolarHBondContact O-N 3.3Å; Y356-Y359 WeakPolarHBondContact O-CB 3.48Å; Y356-Y359 PolarHBondContact O-N 3.31Å; Y356-Y359 VanDerWaalsContact O-N 3.13Å; M357-Y359 VanDerWaalsContact C-N 3.33Å; M357-Y359 PolarHBondContact O-N 3.01Å; Y359-S361 VanDerWaalsContact C-N 3.34Å; Y359-S361 PolarHBondContact O-N 3.12Å; Y359-N362 PolarHBondContact O-N 3.07Å |
| 360 | I | 87.6 | Confident | 89.5 | Confident | 34 Ų | 34 | 41 Ų | 41 | 17% | 0.174 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -72.7 | -27.1 | -177.8 | 63.9 | 172.4 | 0 | 0 | 0 | 113.3 | F174 Y356 M357 T386 | F174-I360 HydrophobicContact CE1-CD1 3.64Å; F174-I360 HydrophobicContact CE1-CG1 4.15Å; F174-I360 HydrophobicContact CZ-CD1 3.81Å; F174-I360 HydrophobicContact CZ-CG1 3.84Å; Y356-I360 HydrophobicContact CD1-CD1 4.36Å; Y356-I360 HydrophobicContact CD2-CG2 3.83Å; Y356-I360 HydrophobicContact CE1-CD1 3.75Å; Y356-I360 HydrophobicContact CE2-CD1 4.23Å; Y356-I360 HydrophobicContact CE2-CG2 3.37Å; Y356-I360 WeakPolarHBondContact O-CG1 3.33Å; Y356-I360 PolarHBondContact O-N 3.28Å; M357-I360 WeakPolarHBondContact O-CG1 3.46Å; M357-I360 HydrophobicContact SD-CD1 4.01Å; M357-I360 HydrophobicContact SD-CG1 4.29Å; I360-T386 HydrophobicContact CD1-CG2 3.88Å |
| 361 | S | 83.5 | Confident | 89 | Confident | 25 Ų | 25 | 43.2 Ų | 43.2 | 18% | 0.175 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -89.7 | -15.1 | -179.9 | -46.7 | 0 | 0 | 0 | 0 | 112.5 | F174 M357 Y359 I363 | F174-S361 WeakPolarHBondContact CE2-OG 3.17Å; F174-S361 WeakPolarHBondContact CZ-OG 3.41Å; M357-S361 WeakPolarHBondContact CE-OG 3.33Å; M357-S361 WeakPolarHBondContact O-CB 3.31Å; M357-S361 PolarHBondContact O-N 3.45Å; M357-S361 PolarHBondContact O-OG 3.48Å; Y359-S361 VanDerWaalsContact C-N 3.34Å; Y359-S361 PolarHBondContact O-N 3.12Å; S361-I363 PolarHBondContact O-N 2.79Å |
| 362 | N | 86.3 | Confident | 88.7 | Confident | 150 Ų | 150 | 43.8 Ų | 43.8 | 80% | 0.802 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 33.7 | -165.8 | -163.2 | 39.5 | 0 | 0 | 0 | 112.8 | S358 Y359 | S358-N362 WeakPolarHBondContact O-CA 3.21Å; S358-N362 PolarHBondContact O-N 3.47Å; Y359-N362 PolarHBondContact O-N 3.07Å |
| 363 | I | 87 | Confident | 88.6 | Confident | 56 Ų | 56 | 44.1 Ų | 44.1 | 29% | 0.287 | 24% | 0.235 | S | C | . | . | trans | -106.5 | 129.3 | 178 | -62.5 | 173.1 | 0 | 0 | 0 | 108.2 | S358 S361 Q367 I368 | S358-I363 WeakPolarHBondContact CA-O 3.27Å; S358-I363 WeakPolarHBondContact CB-O 3.5Å; S358-I363 PolarHBondContact O-N 3.4Å; S358-I363 PolarHBondContact OG-O 3.42Å; S361-I363 PolarHBondContact O-N 2.79Å; I363-Q367 HydrophobicContact CG2-CB 3.8Å; I363-I368 HydrophobicContact CB-CG2 4.25Å; I363-I368 HydrophobicContact CG2-CG2 3.73Å | ||
| 364 | P | 89.6 | Confident | 88.5 | Confident | 65 Ų | 65 | 44.6 Ų | 44.6 | 42% | 0.422 | 24% | 0.241 | S | C | . | . | trans | -55.5 | 140.8 | 175.5 | -29 | 37.7 | 0 | 0 | 0 | 113.5 | N366 Q367 | P364-N366 WeakPolarHBondContact CB-OD1 3.4Å; P364-N366 PolarHBondContact O-N 3.05Å; P364-N366 VanDerWaalsContact O-N 3.14Å; P364-Q367 PolarHBondContact O-N 3.07Å | ||
| 365 | L | 89.3 | Confident | 88.4 | Confident | 15 Ų | 15 | 44.6 Ų | 44.6 | 8% | 0.079 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -54.7 | -35.4 | -177.4 | -175 | 63.6 | 0 | 0 | 0 | 113.6 | Y73 Q282 F351 L354 Q367 I368 A369 | Y73-L365 HydrophobicContact CD2-CD2 4.36Å; Y73-L365 HydrophobicContact CE2-CD2 3.74Å; Y73-L365 HydrophobicContact CE2-CG 4.27Å; Q282-L365 HydrophobicContact CB-CD2 3.43Å; Q282-L365 VanDerWaalsContact CB-CD2 3.43Å; Q282-L365 HydrophobicContact CG-CD2 3.83Å; F351-L365 HydrophobicContact CD1-CD1 4.45Å; F351-L365 HydrophobicContact CD1-CD2 3.92Å; F351-L365 HydrophobicContact CE1-CD1 4.39Å; F351-L365 HydrophobicContact CE1-CD2 3.85Å; F351-L365 HydrophobicContact CE1-CG 4.35Å; L354-L365 HydrophobicContact CB-CD1 3.49Å; L354-L365 VanDerWaalsContact CB-CD1 3.49Å; L354-L365 HydrophobicContact CD1-CD1 4.19Å; L354-L365 HydrophobicContact CG-CD1 4.46Å; L365-Q367 PolarHBondContact O-N 2.89Å; L365-I368 HydrophobicContact CD1-CD1 3.96Å; L365-I368 HydrophobicContact CD1-CG1 4.08Å; L365-I368 VanDerWaalsContact O-CG1 3.27Å; L365-I368 WeakPolarHBondContact O-CG1 3.16Å; L365-I368 PolarHBondContact O-N 3.06Å; L365-A369 WeakPolarHBondContact O-CB 3.32Å; L365-A369 PolarHBondContact O-N 3.01Å |
| 366 | N | 87.4 | Confident | 88.4 | Confident | 109 Ų | 109 | 44.6 Ų | 44.6 | 58% | 0.583 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -67.4 | -17.7 | 179.4 | 65.5 | -32.4 | 0 | 0 | 0 | 113.9 | Y73 P364 | Y73-N366 WeakPolarHBondContact OH-CA 3.35Å; Y73-N366 WeakPolarHBondContact OH-CB 3.03Å; Y73-N366 PolarHBondContact OH-N 3.28Å; P364-N366 WeakPolarHBondContact CB-OD1 3.4Å; P364-N366 PolarHBondContact O-N 3.05Å; P364-N366 VanDerWaalsContact O-N 3.14Å |
| 367 | Q | 84.1 | Confident | 88.5 | Confident | 126 Ų | 126 | 43.2 Ų | 43.2 | 59% | 0.589 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -89.8 | -21 | 176.2 | -64.4 | -176 | 3.1 | 0 | 0 | 112.7 | I363 P364 L365 | I363-Q367 HydrophobicContact CG2-CB 3.8Å; P364-Q367 PolarHBondContact O-N 3.07Å; L365-Q367 PolarHBondContact O-N 2.89Å |
| 368 | I | 84.2 | Confident | 88.7 | Confident | 18 Ų | 18 | 43.5 Ų | 43.5 | 9% | 0.092 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -105.9 | -19.9 | -179.7 | 59 | 169.8 | 0 | 0 | 0 | 113.6 | L354 M357 I363 L365 E370 | L354-I368 HydrophobicContact CB-CD1 4.33Å; L354-I368 WeakPolarHBondContact O-CD1 3.41Å; M357-I368 HydrophobicContact CB-CD1 4.27Å; M357-I368 HydrophobicContact CG-CD1 4.39Å; I363-I368 HydrophobicContact CB-CG2 4.25Å; I363-I368 HydrophobicContact CG2-CG2 3.73Å; L365-I368 HydrophobicContact CD1-CD1 3.96Å; L365-I368 HydrophobicContact CD1-CG1 4.08Å; L365-I368 VanDerWaalsContact O-CG1 3.27Å; L365-I368 WeakPolarHBondContact O-CG1 3.16Å; L365-I368 PolarHBondContact O-N 3.06Å; I368-E370 PolarHBondContact O-N 3.21Å |
| 369 | A | 83.1 | Confident | 88.7 | Confident | 10 Ų | 10 | 42.7 Ų | 42.7 | 8% | 0.083 | 23% | 0.231 | C | C | . | . | trans | -74.1 | 96.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | Y70 Y73 L354 L365 | Y70-A369 VanDerWaalsContact CE2-O 3.25Å; Y70-A369 WeakPolarHBondContact CE2-O 3.18Å; Y73-A369 HydrophobicContact CD1-CB 3.86Å; Y73-A369 HydrophobicContact CE1-CB 3.66Å; L354-A369 HydrophobicContact CD1-CB 4.31Å; L365-A369 WeakPolarHBondContact O-CB 3.32Å; L365-A369 PolarHBondContact O-N 3.01Å | ||
| 370 | E | 84.9 | Confident | 88.7 | Confident | 36 Ų | 36 | 36.2 Ų | 36.2 | 17% | 0.168 | 21% | 0.205 | C | C | . | . | trans | -106.8 | 170.3 | 171.8 | -59.1 | -162.5 | 155.1 | 0 | 0 | 110.4 | I368 L375 V379 K538 | I368-E370 PolarHBondContact O-N 3.21Å; E370-L375 WeakPolarHBondContact O-CB 3.44Å; E370-V379 HydrophobicContact CB-CG2 4.46Å; E370-V379 HydrophobicContact CG-CG2 4.44Å; E370-K538 IonicContact OE1-NZ 3.02Å | ||
| 371 | S | 84.2 | Confident | 89 | Confident | 50 Ų | 50 | 34.6 Ų | 34.6 | 35% | 0.35 | 20% | 0.197 | S | C | . | . | trans | -122.4 | 167.4 | 171.8 | 56.8 | 0 | 0 | 0 | 0 | 111.5 | Y70 | Y70-S371 VanDerWaalsContact CD1-CB 3.47Å; Y70-S371 VanDerWaalsContact CG-CB 3.49Å | ||
| 372 | G | 90.2 | Very high | 89.4 | Confident | 13 Ų | 13 | 35 Ų | 35 | 13% | 0.134 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | 63.5 | -140.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | G374 L375 G376 | G372-G374 VanDerWaalsContact C-N 3.3Å; G372-G374 PolarHBondContact O-N 3.34Å; G372-L375 PolarHBondContact O-N 3.33Å; G372-G376 PolarHBondContact O-N 3.41Å; G372-G376 VanDerWaalsContact O-N 3.14Å |
| 373 | P | 92.5 | Very high | 89.6 | Confident | 11 Ų | 11 | 28 Ų | 28 | 7% | 0.071 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59.5 | -34.8 | -175 | -27.6 | 36.8 | 0 | 0 | 0 | 114.5 | W144 W205 L375 G376 F377 M458 F461 | W144-P373 HydrophobicContact CZ3-CB 4.17Å; W144-P373 HydrophobicContact CZ3-CG 3.91Å; W205-P373 HydrophobicContact CH2-CB 4.37Å; W205-P373 HydrophobicContact CZ2-CB 4Å; P373-L375 PolarHBondContact O-N 3.11Å; P373-G376 PolarHBondContact O-N 3.36Å; P373-F377 HydrophobicContact CB-CD2 4.05Å; P373-F377 WeakPolarHBondContact O-CB 3.44Å; P373-F377 WeakPolarHBondContact O-CD2 3.38Å; P373-F377 PolarHBondContact O-N 2.95Å; P373-M458 HydrophobicContact CB-CE 4.1Å; P373-M458 HydrophobicContact CG-CE 4.12Å; P373-F461 HydrophobicContact CG-CE1 3.96Å; P373-F461 HydrophobicContact CG-CZ 4.35Å |
| 374 | G | 91.4 | Very high | 89.8 | Confident | 12 Ų | 12 | 25.4 Ų | 25.4 | 12% | 0.124 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.3 | -43.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | G372 I378 V379 | G372-G374 VanDerWaalsContact C-N 3.3Å; G372-G374 PolarHBondContact O-N 3.34Å; G374-I378 WeakPolarHBondContact O-CA 3.37Å; G374-I378 VanDerWaalsContact O-CB 3.25Å; G374-I378 WeakPolarHBondContact O-CB 3.33Å; G374-I378 PolarHBondContact O-N 3.4Å; G374-V379 PolarHBondContact O-N 2.95Å |
| 375 | L | 91.8 | Very high | 89.9 | Confident | 2 Ų | 2 | 23.2 Ų | 23.2 | 1% | 0.01 | 13% | 0.134 | C | C | . | . | I | π-helix | trans | -64.6 | -50.4 | 175.4 | -177.3 | 57.6 | 0 | 0 | 0 | 111.7 | W66 I350 L354 E370 G372 P373 V379 Y380 | W66-L375 HydrophobicContact CB-CD2 3.81Å; W66-L375 HydrophobicContact CB-CG 4.47Å; I350-L375 HydrophobicContact CD1-CD2 4.28Å; I350-L375 HydrophobicContact CG2-CD1 4.4Å; I350-L375 HydrophobicContact CG2-CD2 4.03Å; L354-L375 HydrophobicContact CD1-CD1 4.46Å; L354-L375 HydrophobicContact CD2-CD1 4.17Å; E370-L375 WeakPolarHBondContact O-CB 3.44Å; G372-L375 PolarHBondContact O-N 3.33Å; P373-L375 PolarHBondContact O-N 3.11Å; L375-V379 HydrophobicContact CD1-CB 4.12Å; L375-V379 HydrophobicContact CD1-CG1 4.26Å; L375-Y380 HydrophobicContact CD1-CD2 3.91Å; L375-Y380 HydrophobicContact CD1-CE2 4.23Å; L375-Y380 HydrophobicContact CG-CD2 4.27Å; L375-Y380 WeakPolarHBondContact O-CB 3.41Å; L375-Y380 PolarHBondContact O-N 3.29Å |
| 376 | G | 93.3 | Very high | 89.9 | Confident | 2 Ų | 2 | 24.4 Ų | 24.4 | 2% | 0.021 | 14% | 0.142 | C | C | . | . | I | π-helix | trans | -71.9 | -35.1 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | G372 P373 P381 F397 | G372-G376 PolarHBondContact O-N 3.41Å; G372-G376 VanDerWaalsContact O-N 3.14Å; P373-G376 PolarHBondContact O-N 3.36Å; G376-P381 WeakPolarHBondContact O-CD 3.44Å; G376-F397 WeakPolarHBondContact O-CE1 3.24Å |
| 377 | F | 96 | Very high | 89.9 | Confident | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 12% | 0.116 | C | C | . | . | I | π-helix | trans | -115.1 | -10.4 | -170.5 | -58.2 | -74.8 | 0 | 0 | 0 | 114.2 | W66 I141 W144 A145 Y148 W205 P373 P381 F398 | W66-F377 HydrophobicContact CH2-CE2 4.19Å; W66-F377 AromaticContact CZ3-CE2 3.97Å; W66-F377 HydrophobicContact CZ3-CE2 3.97Å; I141-F377 HydrophobicContact CG2-CE2 4.19Å; I141-F377 HydrophobicContact CG2-CZ 4.11Å; W144-F377 HydrophobicContact CB-CD1 4.2Å; W144-F377 HydrophobicContact CB-CE1 3.69Å; W144-F377 HydrophobicContact CB-CE2 4.2Å; W144-F377 HydrophobicContact CB-CZ 3.7Å; W144-F377 HydrophobicContact CE3-CD2 4.31Å; W144-F377 AromaticContact CE3-CE2 3.8Å; W144-F377 HydrophobicContact CE3-CE2 3.8Å; W144-F377 HydrophobicContact CE3-CZ 4.31Å; A145-F377 HydrophobicContact CB-CE1 4.2Å; A145-F377 HydrophobicContact CB-CZ 4.39Å; Y148-F377 AromaticContact CD2-CD1 3.77Å; Y148-F377 HydrophobicContact CD2-CD1 3.77Å; Y148-F377 HydrophobicContact CD2-CE1 4.36Å; Y148-F377 HydrophobicContact CE2-CB 4.1Å; Y148-F377 AromaticContact CE2-CD1 3.73Å; Y148-F377 HydrophobicContact CE2-CD1 3.73Å; Y148-F377 HydrophobicContact CE2-CG 4.3Å; Y148-F377 HydrophobicContact CG-CD1 4.31Å; Y148-F377 PolarHBondContact OH-O 3.08Å; W205-F377 HydrophobicContact CD2-CB 4.03Å; W205-F377 HydrophobicContact CE3-CB 3.45Å; W205-F377 VanDerWaalsContact CE3-CB 3.45Å; W205-F377 HydrophobicContact CE3-CG 4.1Å; W205-F377 HydrophobicContact CH2-CB 3.95Å; W205-F377 AromaticContact CH2-CD2 3.75Å; W205-F377 HydrophobicContact CH2-CD2 3.75Å; W205-F377 HydrophobicContact CH2-CE2 4.48Å; W205-F377 AromaticContact CH2-CG 3.89Å; W205-F377 HydrophobicContact CH2-CG 3.89Å; W205-F377 HydrophobicContact CZ2-CB 4.5Å; W205-F377 HydrophobicContact CZ3-CB 3.4Å; W205-F377 VanDerWaalsContact CZ3-CB 3.4Å; W205-F377 HydrophobicContact CZ3-CD1 4.07Å; W205-F377 AromaticContact CZ3-CD2 3.88Å; W205-F377 HydrophobicContact CZ3-CD2 3.88Å; W205-F377 AromaticContact CZ3-CG 3.51Å; W205-F377 HydrophobicContact CZ3-CG 3.51Å; P373-F377 HydrophobicContact CB-CD2 4.05Å; P373-F377 WeakPolarHBondContact O-CB 3.44Å; P373-F377 WeakPolarHBondContact O-CD2 3.38Å; P373-F377 PolarHBondContact O-N 2.95Å; F377-P381 WeakPolarHBondContact O-CG 3.28Å; F377-F398 AromaticContact CD1-CE1 3.76Å; F377-F398 HydrophobicContact CD1-CE1 3.76Å; F377-F398 HydrophobicContact CD1-CZ 4.44Å; F377-F398 HydrophobicContact CE1-CD1 4.37Å; F377-F398 AromaticContact CE1-CE1 3.84Å; F377-F398 HydrophobicContact CE1-CE1 3.84Å |
| 378 | I | 93.8 | Very high | 90.1 | Very high | 10 Ų | 10 | 18.2 Ų | 18.2 | 5% | 0.051 | 12% | 0.118 | C | C | . | . | I | π-helix | trans | -114.8 | -64.4 | 174.6 | -51.5 | 175.9 | 0 | 0 | 0 | 110.5 | T201 T202 W205 G374 Y380 P381 K382 A540 | T201-I378 HydrophobicContact CG2-CG2 4.46Å; T201-I378 VanDerWaalsContact CG2-O 3.26Å; T201-I378 WeakPolarHBondContact CG2-O 3.24Å; T202-I378 WeakPolarHBondContact OG1-CG2 3.35Å; W205-I378 HydrophobicContact CB-CD1 4.34Å; W205-I378 HydrophobicContact CB-CG1 3.86Å; W205-I378 HydrophobicContact CD2-CG1 4.47Å; W205-I378 HydrophobicContact CG-CD1 4.01Å; W205-I378 HydrophobicContact CG-CG1 3.76Å; G374-I378 WeakPolarHBondContact O-CA 3.37Å; G374-I378 VanDerWaalsContact O-CB 3.25Å; G374-I378 WeakPolarHBondContact O-CB 3.33Å; G374-I378 PolarHBondContact O-N 3.4Å; I378-Y380 PolarHBondContact O-N 3.22Å; I378-P381 WeakPolarHBondContact O-CD 3.19Å; I378-K382 WeakPolarHBondContact O-CB 3.43Å; I378-K382 PolarHBondContact O-N 2.72Å; I378-A540 HydrophobicContact CD1-CB 4.31Å |
| 379 | V | 91.7 | Very high | 90.4 | Very high | 12 Ų | 12 | 19.7 Ų | 19.7 | 7% | 0.073 | 14% | 0.137 | C | C | . | . | I | π-helix | trans | -67.6 | -43.6 | -169.7 | -177.6 | 0 | 0 | 0 | 0 | 112 | L354 E370 G374 L375 K382 A383 | L354-V379 HydrophobicContact CD2-CG1 3.31Å; E370-V379 HydrophobicContact CB-CG2 4.46Å; E370-V379 HydrophobicContact CG-CG2 4.44Å; G374-V379 PolarHBondContact O-N 2.95Å; L375-V379 HydrophobicContact CD1-CB 4.12Å; L375-V379 HydrophobicContact CD1-CG1 4.26Å; V379-K382 WeakPolarHBondContact O-CB 3.47Å; V379-K382 PolarHBondContact O-N 3.44Å; V379-A383 PolarHBondContact O-N 3.21Å |
| 380 | Y | 91.4 | Very high | 90.9 | Very high | 5 Ų | 5 | 20 Ų | 20 | 2% | 0.02 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -67.3 | -50.2 | 178.2 | -109.6 | -98.5 | 0 | 0 | 0 | 113.7 | V349 I350 T353 L375 I378 K382 A383 I384 F397 | V349-Y380 PolarHBondContact O-OH 3.44Å; I350-Y380 WeakPolarHBondContact CA-OH 3.32Å; I350-Y380 HydrophobicContact CD1-CD2 4.29Å; I350-Y380 HydrophobicContact CD1-CE2 3.31Å; I350-Y380 WeakPolarHBondContact CD1-OH 3.31Å; I350-Y380 HydrophobicContact CG1-CE2 4.45Å; I350-Y380 HydrophobicContact CG2-CE2 4.41Å; I350-Y380 PolarHBondContact N-OH 3.48Å; T353-Y380 WeakPolarHBondContact CB-OH 3.47Å; T353-Y380 HydrophobicContact CG2-CD1 4.48Å; T353-Y380 HydrophobicContact CG2-CE1 4Å; T353-Y380 HydrophobicContact CG2-CE2 4.27Å; T353-Y380 PolarHBondContact OG1-OH 3.41Å; L375-Y380 HydrophobicContact CD1-CD2 3.91Å; L375-Y380 HydrophobicContact CD1-CE2 4.23Å; L375-Y380 HydrophobicContact CG-CD2 4.27Å; L375-Y380 WeakPolarHBondContact O-CB 3.41Å; L375-Y380 PolarHBondContact O-N 3.29Å; I378-Y380 PolarHBondContact O-N 3.22Å; Y380-K382 PolarHBondContact O-N 3.45Å; Y380-A383 PolarHBondContact O-N 2.85Å; Y380-A383 VanDerWaalsContact O-N 3.1Å; Y380-I384 HydrophobicContact CD1-CD1 4.15Å; Y380-I384 WeakPolarHBondContact O-CB 3.41Å; Y380-I384 WeakPolarHBondContact O-CG1 3.4Å; Y380-I384 PolarHBondContact O-N 2.88Å; Y380-F397 HydrophobicContact CD1-CD1 4.48Å; Y380-F397 AromaticContact CD1-CD2 3.62Å; Y380-F397 HydrophobicContact CD1-CD2 3.62Å; Y380-F397 HydrophobicContact CD1-CE1 4.13Å; Y380-F397 AromaticContact CD1-CE2 3.19Å; Y380-F397 HydrophobicContact CD1-CE2 3.19Å; Y380-F397 HydrophobicContact CD1-CG 4.24Å; Y380-F397 AromaticContact CD1-CZ 3.46Å; Y380-F397 HydrophobicContact CD1-CZ 3.46Å; Y380-F397 VanDerWaalsContact CD1-CZ 3.46Å; Y380-F397 HydrophobicContact CD2-CE2 4.49Å; Y380-F397 HydrophobicContact CD2-CZ 4.37Å; Y380-F397 AromaticContact CE1-CD2 3.91Å; Y380-F397 HydrophobicContact CE1-CD2 3.91Å; Y380-F397 AromaticContact CE1-CE2 3.56Å; Y380-F397 HydrophobicContact CE1-CE2 3.56Å; Y380-F397 HydrophobicContact CE1-CZ 4.25Å; Y380-F397 HydrophobicContact CG-CE1 4.22Å; Y380-F397 AromaticContact CG-CE2 3.71Å; Y380-F397 HydrophobicContact CG-CE2 3.71Å; Y380-F397 AromaticContact CG-CZ 3.52Å; Y380-F397 HydrophobicContact CG-CZ 3.52Å |
| 381 | P | 93.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -59.6 | -32.9 | 177.3 | -30.1 | 41.5 | 0 | 0 | 0 | 112.3 | Y148 W159 T201 G376 F377 I378 G385 F398 | Y148-P381 HydrophobicContact CD1-CG 4.32Å; Y148-P381 HydrophobicContact CE1-CB 4.11Å; Y148-P381 HydrophobicContact CE1-CG 3.89Å; W159-P381 HydrophobicContact CD2-CB 4.38Å; W159-P381 HydrophobicContact CG-CB 4.42Å; W159-P381 HydrophobicContact CZ2-CB 4.29Å; W159-P381 PolarHBondContact NE1-O 3.15Å; W159-P381 VanDerWaalsContact NE1-O 3.13Å; T201-P381 HydrophobicContact CG2-CB 3.93Å; G376-P381 WeakPolarHBondContact O-CD 3.44Å; F377-P381 WeakPolarHBondContact O-CG 3.28Å; I378-P381 WeakPolarHBondContact O-CD 3.19Å; P381-G385 PolarHBondContact O-N 3.35Å; P381-F398 HydrophobicContact CG-CE2 4.27Å; P381-F398 HydrophobicContact CG-CZ 3.6Å |
| 382 | K | 92 | Very high | 91.9 | Very high | 34 Ų | 34 | 22.8 Ų | 22.8 | 15% | 0.148 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63 | -51.1 | 172 | -170.7 | 176.4 | -176.8 | 171.9 | 0 | 111.7 | D199 T201 M357 I378 V379 Y380 I384 G385 T386 | D199-K382 VanDerWaalsContact CG-NZ 3.26Å; D199-K382 IonicContact OD1-NZ 3.66Å; D199-K382 IonicContact OD2-NZ 2.61Å; D199-K382 PolarHBondContact OD2-NZ 2.87Å; T201-K382 HydrophobicContact CG2-CB 4.13Å; M357-K382 HydrophobicContact CE-CD 3.56Å; M357-K382 VanDerWaalsContact CE-CE 3.44Å; M357-K382 HydrophobicContact CE-CG 3.56Å; I378-K382 WeakPolarHBondContact O-CB 3.43Å; I378-K382 PolarHBondContact O-N 2.72Å; V379-K382 WeakPolarHBondContact O-CB 3.47Å; V379-K382 PolarHBondContact O-N 3.44Å; Y380-K382 PolarHBondContact O-N 3.45Å; K382-I384 PolarHBondContact O-N 2.82Å; K382-G385 PolarHBondContact O-N 3.24Å; K382-T386 WeakPolarHBondContact O-CG2 3.32Å |
| 383 | A | 90.5 | Very high | 92 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.008 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64.3 | -39.3 | 178 | 0 | 0 | 0 | 0 | 0 | 113.1 | T353 M357 V379 Y380 G385 T386 | T353-A383 HydrophobicContact CG2-CB 3.62Å; M357-A383 HydrophobicContact CB-CB 4.45Å; M357-A383 HydrophobicContact SD-CB 4.29Å; V379-A383 PolarHBondContact O-N 3.21Å; Y380-A383 PolarHBondContact O-N 2.85Å; Y380-A383 VanDerWaalsContact O-N 3.1Å; A383-G385 VanDerWaalsContact C-N 3.32Å; A383-T386 PolarHBondContact O-N 3.07Å; A383-T386 PolarHBondContact O-OG1 3.23Å |
| 384 | I | 91.3 | Very high | 92.1 | Very high | 3 Ų | 3 | 23.5 Ų | 23.5 | 2% | 0.015 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -65.2 | -38.8 | 174.8 | -73.7 | 170.5 | 0 | 0 | 0 | 110.7 | L157 Y380 K382 T386 M387 S390 W393 F397 | L157-I384 HydrophobicContact CD1-CG2 4.38Å; Y380-I384 HydrophobicContact CD1-CD1 4.15Å; Y380-I384 WeakPolarHBondContact O-CB 3.41Å; Y380-I384 WeakPolarHBondContact O-CG1 3.4Å; Y380-I384 PolarHBondContact O-N 2.88Å; K382-I384 PolarHBondContact O-N 2.82Å; I384-T386 PolarHBondContact O-N 3.46Å; I384-T386 VanDerWaalsContact O-N 3.13Å; I384-M387 WeakPolarHBondContact O-CB 3.47Å; I384-M387 PolarHBondContact O-N 3.11Å; I384-S390 WeakPolarHBondContact CG2-O 3.35Å; I384-S390 WeakPolarHBondContact O-CB 3.32Å; I384-W393 HydrophobicContact CG2-CB 3.84Å; I384-F397 HydrophobicContact CD1-CB 3.64Å; I384-F397 HydrophobicContact CD1-CD1 4Å; I384-F397 HydrophobicContact CD1-CD2 4.42Å; I384-F397 HydrophobicContact CD1-CG 3.77Å |
| 385 | G | 92 | Very high | 92.3 | Very high | 19 Ų | 19 | 24.7 Ų | 24.7 | 20% | 0.196 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -57.7 | -24.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | P381 K382 A383 | P381-G385 PolarHBondContact O-N 3.35Å; K382-G385 PolarHBondContact O-N 3.24Å; A383-G385 VanDerWaalsContact C-N 3.32Å |
| 386 | T | 88.6 | Confident | 92.4 | Very high | 39 Ų | 39 | 25.2 Ų | 25.2 | 24% | 0.239 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -9.1 | 178.4 | 76.3 | 0 | 0 | 0 | 0 | 113.7 | F174 Y356 I360 K382 A383 I384 | F174-T386 HydrophobicContact CD1-CG2 3.38Å; F174-T386 HydrophobicContact CE1-CG2 3.51Å; F174-T386 HydrophobicContact CG-CG2 4.31Å; Y356-T386 VanDerWaalsContact CE1-OG1 3.26Å; Y356-T386 WeakPolarHBondContact CE1-OG1 3.3Å; Y356-T386 PolarHBondContact OH-OG1 2.95Å; Y356-T386 VanDerWaalsContact OH-OG1 3.07Å; I360-T386 HydrophobicContact CD1-CG2 3.88Å; K382-T386 WeakPolarHBondContact O-CG2 3.32Å; A383-T386 PolarHBondContact O-N 3.07Å; A383-T386 PolarHBondContact O-OG1 3.23Å; I384-T386 PolarHBondContact O-N 3.46Å; I384-T386 VanDerWaalsContact O-N 3.13Å |
| 387 | M | 86.6 | Confident | 92.4 | Very high | 10 Ų | 10 | 25.3 Ų | 25.3 | 5% | 0.049 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -87.2 | 142.3 | -177.3 | -58.3 | -173.2 | -168.7 | 0 | 0 | 111.1 | R269 T270 L273 Y356 I384 G389 S390 | R269-M387 HydrophobicContact CG-SD 4.43Å; T270-M387 HydrophobicContact CG2-CE 4.15Å; L273-M387 HydrophobicContact CD1-CE 3.73Å; L273-M387 HydrophobicContact CD1-SD 4.3Å; Y356-M387 HydrophobicContact CD1-CE 4.41Å; Y356-M387 HydrophobicContact CE1-CE 4.35Å; I384-M387 WeakPolarHBondContact O-CB 3.47Å; I384-M387 PolarHBondContact O-N 3.11Å; M387-G389 PolarHBondContact O-N 3.39Å; M387-S390 WeakPolarHBondContact O-CB 3.43Å; M387-S390 PolarHBondContact O-N 3.3Å; M387-S390 VanDerWaalsContact O-N 3.13Å |
| 388 | P | 88.3 | Confident | 92.5 | Very high | 96 Ų | 96 | 25.3 Ų | 25.3 | 62% | 0.623 | 15% | 0.15 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | 135.1 | 170.1 | 25 | -32.1 | 0 | 0 | 0 | 110.3 | W393 | P388-W393 PolarHBondContact O-NE1 2.99Š|
| 389 | G | 91.4 | Very high | 92.5 | Very high | 48 Ų | 48 | 27.6 Ų | 27.6 | 50% | 0.495 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.1 | 32 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | M387 P391 F392 W393 | M387-G389 PolarHBondContact O-N 3.39Å; G389-P391 VanDerWaalsContact C-N 3.3Å; G389-P391 VanDerWaalsContact O-N 3.17Å; G389-F392 WeakPolarHBondContact O-CB 3.21Å; G389-F392 PolarHBondContact O-N 2.85Å; G389-W393 VanDerWaalsContact O-CD1 3.28Å |
| 390 | S | 93.4 | Very high | 92.7 | Very high | 16 Ų | 16 | 27.1 Ų | 27.1 | 11% | 0.112 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -50.3 | -35.2 | -177 | 59.3 | 0 | 0 | 0 | 0 | 115.5 | I384 M387 F392 W393 S394 | I384-S390 WeakPolarHBondContact CG2-O 3.35Å; I384-S390 WeakPolarHBondContact O-CB 3.32Å; M387-S390 WeakPolarHBondContact O-CB 3.43Å; M387-S390 PolarHBondContact O-N 3.3Å; M387-S390 VanDerWaalsContact O-N 3.13Å; S390-F392 VanDerWaalsContact C-N 3.34Å; S390-F392 PolarHBondContact O-N 3.19Å; S390-W393 PolarHBondContact O-N 3.39Å; S390-S394 WeakPolarHBondContact O-CB 3.12Å; S390-S394 PolarHBondContact O-N 2.94Å |
| 391 | P | 95.9 | Very high | 92.9 | Very high | 22 Ų | 22 | 27 Ų | 27 | 14% | 0.143 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -58.3 | -42.2 | 174.6 | -26.2 | 37 | 0 | 0 | 0 | 113.5 | T154 L157 G389 S394 I395 | T154-P391 WeakPolarHBondContact O-CG 3.28Å; L157-P391 HydrophobicContact CD2-CB 4.34Å; L157-P391 HydrophobicContact CD2-CG 4.37Å; L157-P391 HydrophobicContact CG-CG 4.32Å; G389-P391 VanDerWaalsContact C-N 3.3Å; G389-P391 VanDerWaalsContact O-N 3.17Å; P391-S394 PolarHBondContact O-N 3Å; P391-I395 VanDerWaalsContact O-CG1 3.26Å; P391-I395 WeakPolarHBondContact O-CG1 3.49Å; P391-I395 PolarHBondContact O-N 3.4Å |
| 392 | F | 93.8 | Very high | 93 | Very high | 124 Ų | 124 | 27.5 Ų | 27.5 | 54% | 0.544 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -61.4 | -49.4 | 178.5 | 170.1 | -98.4 | 0 | 0 | 0 | 111.6 | G389 S390 S394 I395 C396 | G389-F392 WeakPolarHBondContact O-CB 3.21Å; G389-F392 PolarHBondContact O-N 2.85Å; S390-F392 VanDerWaalsContact C-N 3.34Å; S390-F392 PolarHBondContact O-N 3.19Å; F392-S394 VanDerWaalsContact C-N 3.3Å; F392-S394 PolarHBondContact O-N 2.9Å; F392-I395 PolarHBondContact O-N 3.15Å; F392-C396 PolarHBondContact O-N 2.85Å; F392-C396 PolarHBondContact O-SG 3.38Å; F392-C396 VanDerWaalsContact O-SG 3.4Å |
| 393 | W | 92.6 | Very high | 93.2 | Very high | 39 Ų | 39 | 27 Ų | 27 | 15% | 0.148 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64 | -37.3 | 179.5 | -61.2 | 112.9 | 0 | 0 | 0 | 112.2 | I265 L266 R269 I384 P388 G389 S390 C396 F397 | I265-W393 HydrophobicContact CG2-CH2 4.5Å; I265-W393 HydrophobicContact CG2-CZ3 3.81Å; L266-W393 HydrophobicContact CD2-CE3 4.07Å; R269-W393 HydrophobicContact CB-CH2 3.89Å; R269-W393 HydrophobicContact CB-CZ2 4.47Å; R269-W393 HydrophobicContact CB-CZ3 4.05Å; R269-W393 HydrophobicContact CG-CH2 3.76Å; R269-W393 HydrophobicContact CG-CZ2 3.83Å; R269-W393 HydrophobicContact CG-CZ3 4.1Å; I384-W393 HydrophobicContact CG2-CB 3.84Å; P388-W393 PolarHBondContact O-NE1 2.99Å; G389-W393 VanDerWaalsContact O-CD1 3.28Å; S390-W393 PolarHBondContact O-N 3.39Å; W393-C396 PolarHBondContact O-N 2.81Å; W393-F397 WeakPolarHBondContact O-CB 3.47Å; W393-F397 PolarHBondContact O-N 3Å |
| 394 | S | 95.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.6 | -47 | 175.4 | 178.4 | 0 | 0 | 0 | 0 | 111.5 | S152 W159 S390 P391 F392 C396 F397 F398 | S152-S394 PolarHBondContact OG-OG 3.49Å; W159-S394 WeakPolarHBondContact CZ2-OG 3.39Å; S390-S394 WeakPolarHBondContact O-CB 3.12Å; S390-S394 PolarHBondContact O-N 2.94Å; P391-S394 PolarHBondContact O-N 3Å; F392-S394 VanDerWaalsContact C-N 3.3Å; F392-S394 PolarHBondContact O-N 2.9Å; S394-C396 PolarHBondContact O-N 2.79Å; S394-F397 PolarHBondContact O-N 2.8Å; S394-F398 WeakPolarHBondContact O-CD2 3.25Å; S394-F398 PolarHBondContact O-N 3.31Å; S394-F398 WeakPolarHBondContact OG-CD2 3.35Å; S394-F398 WeakPolarHBondContact OG-CE2 3.31Å |
| 395 | I | 95.1 | Very high | 93.6 | Very high | 37 Ų | 37 | 27 Ų | 27 | 19% | 0.19 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.4 | -48 | 176.3 | -67.5 | 167 | 0 | 0 | 0 | 110.3 | F153 P391 F392 F397 F398 I399 | F153-I395 HydrophobicContact CD1-CD1 4.18Å; F153-I395 HydrophobicContact CE1-CD1 4.02Å; F153-I395 HydrophobicContact CZ-CD1 4.44Å; P391-I395 VanDerWaalsContact O-CG1 3.26Å; P391-I395 WeakPolarHBondContact O-CG1 3.49Å; P391-I395 PolarHBondContact O-N 3.4Å; F392-I395 PolarHBondContact O-N 3.15Å; I395-F397 PolarHBondContact O-N 3.29Å; I395-F398 PolarHBondContact O-N 3.47Å; I395-I399 HydrophobicContact CG2-CD1 3.58Å; I395-I399 HydrophobicContact CG2-CG1 4.24Å; I395-I399 WeakPolarHBondContact O-CB 3.43Å; I395-I399 WeakPolarHBondContact O-CG1 3.28Å; I395-I399 PolarHBondContact O-N 2.89Å |
| 396 | C | 93.1 | Very high | 93.8 | Very high | 13 Ų | 13 | 26.9 Ų | 26.9 | 9% | 0.088 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58.7 | -45.5 | 177.2 | -68.4 | 0 | 0 | 0 | 0 | 112.6 | F262 F392 W393 S394 M400 | F262-C396 HydrophobicContact CD1-CB 3.76Å; F262-C396 HydrophobicContact CE1-CB 3.81Å; F392-C396 PolarHBondContact O-N 2.85Å; F392-C396 PolarHBondContact O-SG 3.38Å; F392-C396 VanDerWaalsContact O-SG 3.4Å; W393-C396 PolarHBondContact O-N 2.81Å; S394-C396 PolarHBondContact O-N 2.79Å; C396-M400 WeakPolarHBondContact O-CB 3.21Å; C396-M400 PolarHBondContact O-N 3.23Å |
| 397 | F | 94.1 | Very high | 94 | Very high | 4 Ų | 4 | 25.1 Ų | 25.1 | 2% | 0.018 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.3 | -47 | -179.2 | 174.1 | -104.7 | 0 | 0 | 0 | 112.4 | L266 G376 Y380 I384 W393 S394 I395 M400 I401 | L266-F397 HydrophobicContact CD1-CD2 4.22Å; G376-F397 WeakPolarHBondContact O-CE1 3.24Å; Y380-F397 HydrophobicContact CD1-CD1 4.48Å; Y380-F397 AromaticContact CD1-CD2 3.62Å; Y380-F397 HydrophobicContact CD1-CD2 3.62Å; Y380-F397 HydrophobicContact CD1-CE1 4.13Å; Y380-F397 AromaticContact CD1-CE2 3.19Å; Y380-F397 HydrophobicContact CD1-CE2 3.19Å; Y380-F397 HydrophobicContact CD1-CG 4.24Å; Y380-F397 AromaticContact CD1-CZ 3.46Å; Y380-F397 HydrophobicContact CD1-CZ 3.46Å; Y380-F397 VanDerWaalsContact CD1-CZ 3.46Å; Y380-F397 HydrophobicContact CD2-CE2 4.49Å; Y380-F397 HydrophobicContact CD2-CZ 4.37Å; Y380-F397 AromaticContact CE1-CD2 3.91Å; Y380-F397 HydrophobicContact CE1-CD2 3.91Å; Y380-F397 AromaticContact CE1-CE2 3.56Å; Y380-F397 HydrophobicContact CE1-CE2 3.56Å; Y380-F397 HydrophobicContact CE1-CZ 4.25Å; Y380-F397 HydrophobicContact CG-CE1 4.22Å; Y380-F397 AromaticContact CG-CE2 3.71Å; Y380-F397 HydrophobicContact CG-CE2 3.71Å; Y380-F397 AromaticContact CG-CZ 3.52Å; Y380-F397 HydrophobicContact CG-CZ 3.52Å; I384-F397 HydrophobicContact CD1-CB 3.64Å; I384-F397 HydrophobicContact CD1-CD1 4Å; I384-F397 HydrophobicContact CD1-CD2 4.42Å; I384-F397 HydrophobicContact CD1-CG 3.77Å; W393-F397 WeakPolarHBondContact O-CB 3.47Å; W393-F397 PolarHBondContact O-N 3Å; S394-F397 PolarHBondContact O-N 2.8Å; I395-F397 PolarHBondContact O-N 3.29Å; F397-M400 HydrophobicContact CD2-CE 3.76Å; F397-M400 HydrophobicContact CE2-CE 3.94Å; F397-M400 WeakPolarHBondContact O-CB 3.34Å; F397-M400 PolarHBondContact O-N 2.83Å; F397-I401 HydrophobicContact CD1-CD1 4.12Å; F397-I401 HydrophobicContact CE1-CD1 3.39Å; F397-I401 HydrophobicContact CE1-CG1 4.37Å; F397-I401 HydrophobicContact CE2-CD1 4.16Å; F397-I401 HydrophobicContact CZ-CD1 3.43Å; F397-I401 VanDerWaalsContact CZ-CD1 3.43Å; F397-I401 HydrophobicContact CZ-CG1 4.24Å; F397-I401 PolarHBondContact O-N 3.44Å |
| 398 | F | 96.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -75.3 | -30.7 | -179.3 | -70.7 | -65.4 | 0 | 0 | 0 | 112.9 | A145 Y148 I149 W159 F377 P381 S394 I395 M400 I401 I402 | A145-F398 HydrophobicContact CB-CD1 4.41Å; Y148-F398 VanDerWaalsContact CB-CE2 3.5Å; Y148-F398 VanDerWaalsContact CB-CZ 3.45Å; Y148-F398 HydrophobicContact CD1-CD2 4.5Å; Y148-F398 AromaticContact CD1-CE1 3.97Å; Y148-F398 HydrophobicContact CD1-CE1 3.97Å; Y148-F398 AromaticContact CD1-CE2 3.46Å; Y148-F398 HydrophobicContact CD1-CE2 3.46Å; Y148-F398 VanDerWaalsContact CD1-CE2 3.46Å; Y148-F398 AromaticContact CD1-CZ 3.11Å; Y148-F398 HydrophobicContact CD1-CZ 3.11Å; Y148-F398 HydrophobicContact CD2-CZ 4.4Å; Y148-F398 HydrophobicContact CE1-CE2 4.47Å; Y148-F398 AromaticContact CE1-CZ 3.88Å; Y148-F398 HydrophobicContact CE1-CZ 3.88Å; Y148-F398 AromaticContact CG-CE1 3.81Å; Y148-F398 HydrophobicContact CG-CE1 3.81Å; Y148-F398 AromaticContact CG-CE2 3.83Å; Y148-F398 HydrophobicContact CG-CE2 3.83Å; Y148-F398 AromaticContact CG-CZ 3.4Å; Y148-F398 HydrophobicContact CG-CZ 3.4Å; Y148-F398 VanDerWaalsContact CG-CZ 3.4Å; I149-F398 HydrophobicContact CD1-CB 3.98Å; I149-F398 HydrophobicContact CG1-CB 3.31Å; I149-F398 HydrophobicContact CG1-CG 4.38Å; W159-F398 HydrophobicContact CH2-CE2 4.19Å; W159-F398 HydrophobicContact CZ2-CE2 4.26Å; F377-F398 AromaticContact CD1-CE1 3.76Å; F377-F398 HydrophobicContact CD1-CE1 3.76Å; F377-F398 HydrophobicContact CD1-CZ 4.44Å; F377-F398 HydrophobicContact CE1-CD1 4.37Å; F377-F398 AromaticContact CE1-CE1 3.84Å; F377-F398 HydrophobicContact CE1-CE1 3.84Å; P381-F398 HydrophobicContact CG-CE2 4.27Å; P381-F398 HydrophobicContact CG-CZ 3.6Å; S394-F398 WeakPolarHBondContact O-CD2 3.25Å; S394-F398 PolarHBondContact O-N 3.31Å; S394-F398 WeakPolarHBondContact OG-CD2 3.35Å; S394-F398 WeakPolarHBondContact OG-CE2 3.31Å; I395-F398 PolarHBondContact O-N 3.47Å; F398-M400 VanDerWaalsContact C-N 3.29Å; F398-M400 PolarHBondContact O-N 2.98Å; F398-I401 HydrophobicContact CD1-CD1 4.13Å; F398-I401 HydrophobicContact CE1-CD1 4.37Å; F398-I401 PolarHBondContact O-N 3.27Å; F398-I402 VanDerWaalsContact O-CG1 3.3Å; F398-I402 WeakPolarHBondContact O-CG1 3.07Å; F398-I402 PolarHBondContact O-N 2.88Å |
| 399 | I | 95.7 | Very high | 94.7 | Very high | 57 Ų | 57 | 20.9 Ų | 20.9 | 29% | 0.292 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -58.6 | -45.8 | 167.9 | -72.4 | 173.4 | 0 | 0 | 0 | 109.6 | I149 F262 I395 I401 I402 L403 | I149-I399 HydrophobicContact CD1-CG1 3.79Å; F262-I399 HydrophobicContact CE2-CB 4.35Å; F262-I399 HydrophobicContact CE2-CG2 3.56Å; F262-I399 HydrophobicContact CZ-CB 4.32Å; F262-I399 HydrophobicContact CZ-CG2 3.78Å; I395-I399 HydrophobicContact CG2-CD1 3.58Å; I395-I399 HydrophobicContact CG2-CG1 4.24Å; I395-I399 WeakPolarHBondContact O-CB 3.43Å; I395-I399 WeakPolarHBondContact O-CG1 3.28Å; I395-I399 PolarHBondContact O-N 2.89Å; I399-I401 PolarHBondContact O-N 3.37Å; I399-I402 PolarHBondContact O-N 2.76Å; I399-L403 HydrophobicContact CG2-CD1 3.72Å; I399-L403 HydrophobicContact CG2-CG 4.11Å; I399-L403 VanDerWaalsContact O-CG 3.24Å; I399-L403 WeakPolarHBondContact O-CG 3.44Å; I399-L403 PolarHBondContact O-N 3.26Å |
| 400 | M | 94.7 | Very high | 94.8 | Very high | 3 Ų | 3 | 18.8 Ų | 18.8 | 2% | 0.015 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -57.9 | -47.4 | 176.6 | 179.1 | -168.4 | 72 | 0 | 0 | 112.1 | V65 P259 F262 M263 L266 C396 F397 F398 I402 L403 L404 | V65-M400 HydrophobicContact CG1-CE 4.44Å; P259-M400 HydrophobicContact CB-CG 4.13Å; F262-M400 HydrophobicContact CB-CB 3.84Å; F262-M400 HydrophobicContact CB-CG 4Å; F262-M400 HydrophobicContact CB-SD 4.01Å; F262-M400 HydrophobicContact CD2-CB 4.03Å; F262-M400 HydrophobicContact CG-CB 4.12Å; M263-M400 HydrophobicContact CG-SD 3.62Å; L266-M400 HydrophobicContact CD1-CE 4.26Å; L266-M400 HydrophobicContact CD1-SD 4.24Å; C396-M400 WeakPolarHBondContact O-CB 3.21Å; C396-M400 PolarHBondContact O-N 3.23Å; F397-M400 HydrophobicContact CD2-CE 3.76Å; F397-M400 HydrophobicContact CE2-CE 3.94Å; F397-M400 WeakPolarHBondContact O-CB 3.34Å; F397-M400 PolarHBondContact O-N 2.83Å; F398-M400 VanDerWaalsContact C-N 3.29Å; F398-M400 PolarHBondContact O-N 2.98Å; M400-I402 VanDerWaalsContact C-N 3.31Å; M400-I402 PolarHBondContact O-N 3.19Å; M400-L403 PolarHBondContact O-N 3.5Å; M400-L404 HydrophobicContact CG-CD1 4.1Å; M400-L404 WeakPolarHBondContact O-CG 3.49Å; M400-L404 PolarHBondContact O-N 3.26Å |
| 401 | I | 95.5 | Very high | 94.9 | Very high | 3 Ų | 3 | 18 Ų | 18 | 2% | 0.015 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -57.4 | -44.7 | 175.8 | -74.4 | -178.4 | 0 | 0 | 0 | 111.2 | L62 A145 F397 F398 I399 G405 | L62-I401 HydrophobicContact CD1-CG2 4.41Å; L62-I401 HydrophobicContact CD2-CB 4.19Å; L62-I401 HydrophobicContact CD2-CG1 4.13Å; L62-I401 HydrophobicContact CD2-CG2 3.84Å; A145-I401 HydrophobicContact CB-CB 4.43Å; A145-I401 HydrophobicContact CB-CG2 3.61Å; F397-I401 HydrophobicContact CD1-CD1 4.12Å; F397-I401 HydrophobicContact CE1-CD1 3.39Å; F397-I401 HydrophobicContact CE1-CG1 4.37Å; F397-I401 HydrophobicContact CE2-CD1 4.16Å; F397-I401 HydrophobicContact CZ-CD1 3.43Å; F397-I401 VanDerWaalsContact CZ-CD1 3.43Å; F397-I401 HydrophobicContact CZ-CG1 4.24Å; F397-I401 PolarHBondContact O-N 3.44Å; F398-I401 HydrophobicContact CD1-CD1 4.13Å; F398-I401 HydrophobicContact CE1-CD1 4.37Å; F398-I401 PolarHBondContact O-N 3.27Å; I399-I401 PolarHBondContact O-N 3.37Å; I401-G405 PolarHBondContact O-N 3.21Å |
| 402 | I | 96.8 | Very high | 94.9 | Very high | 10 Ų | 10 | 17 Ų | 17 | 5% | 0.051 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -66 | -43.1 | -179 | -71.4 | -179.1 | 0 | 0 | 0 | 111.4 | A145 F146 I149 F398 I399 M400 G405 I406 | A145-I402 HydrophobicContact CB-CD1 4.06Å; A145-I402 HydrophobicContact CB-CG1 3.52Å; F146-I402 HydrophobicContact CB-CD1 4.4Å; F146-I402 HydrophobicContact CD1-CD1 3.46Å; F146-I402 VanDerWaalsContact CD1-CD1 3.46Å; F146-I402 HydrophobicContact CD2-CD1 4.06Å; F146-I402 HydrophobicContact CE1-CD1 3.53Å; F146-I402 HydrophobicContact CE1-CG2 4.1Å; F146-I402 HydrophobicContact CE2-CD1 4.14Å; F146-I402 HydrophobicContact CE2-CG2 4.15Å; F146-I402 HydrophobicContact CG-CD1 3.72Å; F146-I402 HydrophobicContact CZ-CD1 3.87Å; F146-I402 HydrophobicContact CZ-CG2 3.62Å; I149-I402 HydrophobicContact CD1-CD1 3.21Å; I149-I402 HydrophobicContact CD1-CG1 4.22Å; I149-I402 HydrophobicContact CG1-CD1 4.04Å; F398-I402 VanDerWaalsContact O-CG1 3.3Å; F398-I402 WeakPolarHBondContact O-CG1 3.07Å; F398-I402 PolarHBondContact O-N 2.88Å; I399-I402 PolarHBondContact O-N 2.76Å; M400-I402 VanDerWaalsContact C-N 3.31Å; M400-I402 PolarHBondContact O-N 3.19Å; I402-G405 PolarHBondContact O-N 3.4Å; I402-I406 HydrophobicContact CG2-CD1 3.44Å; I402-I406 VanDerWaalsContact CG2-CD1 3.44Å; I402-I406 HydrophobicContact CG2-CG1 4.03Å; I402-I406 WeakPolarHBondContact O-CB 3.47Å; I402-I406 VanDerWaalsContact O-CG1 3.25Å; I402-I406 WeakPolarHBondContact O-CG1 3.41Å; I402-I406 PolarHBondContact O-N 3.5Å |
| 403 | L | 95.7 | Very high | 95 | Very high | 22 Ų | 22 | 11.1 Ų | 11.1 | 12% | 0.115 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -62.5 | -47.7 | 179.1 | -67.5 | 173.5 | 0 | 0 | 0 | 111.4 | T255 L258 P259 F262 I399 M400 G405 I406 D407 | T255-L403 HydrophobicContact CG2-CD2 3.81Å; L258-L403 HydrophobicContact CB-CD1 4.05Å; L258-L403 HydrophobicContact CD2-CD1 3.65Å; L258-L403 HydrophobicContact CG-CD1 3.9Å; P259-L403 HydrophobicContact CG-CB 3.93Å; F262-L403 HydrophobicContact CD2-CD1 4.43Å; F262-L403 HydrophobicContact CE2-CD1 4.01Å; I399-L403 HydrophobicContact CG2-CD1 3.72Å; I399-L403 HydrophobicContact CG2-CG 4.11Å; I399-L403 VanDerWaalsContact O-CG 3.24Å; I399-L403 WeakPolarHBondContact O-CG 3.44Å; I399-L403 PolarHBondContact O-N 3.26Å; M400-L403 PolarHBondContact O-N 3.5Å; L403-G405 PolarHBondContact O-N 3.42Å; L403-I406 PolarHBondContact O-N 2.79Å; L403-D407 PolarHBondContact O-N 3.45Å |
| 404 | L | 94.6 | Very high | 95.1 | Very high | 5 Ų | 5 | 9.3 Ų | 9.3 | 3% | 0.026 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -59.7 | -37.7 | 173.6 | -68.3 | 171.2 | 0 | 0 | 0 | 111.9 | I60 L62 V65 P259 M400 S408 | I60-L404 HydrophobicContact CG2-CD2 4.47Å; I60-L404 WeakPolarHBondContact O-CD2 3.46Å; L62-L404 HydrophobicContact CD2-CB 4.21Å; L62-L404 HydrophobicContact CD2-CD1 4.42Å; V65-L404 HydrophobicContact CG2-CD1 3.5Å; P259-L404 HydrophobicContact CB-CD1 4.45Å; P259-L404 HydrophobicContact CB-CD2 3.67Å; P259-L404 HydrophobicContact CB-CG 3.9Å; P259-L404 HydrophobicContact CG-CD2 3.78Å; P259-L404 HydrophobicContact CG-CG 3.92Å; M400-L404 HydrophobicContact CG-CD1 4.1Å; M400-L404 WeakPolarHBondContact O-CG 3.49Å; M400-L404 PolarHBondContact O-N 3.26Å; L404-S408 PolarHBondContact O-OG 3.35Å |
| 405 | G | 95.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -68.9 | -44.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | I401 I402 L403 D407 S408 M409 | I401-G405 PolarHBondContact O-N 3.21Å; I402-G405 PolarHBondContact O-N 3.4Å; L403-G405 PolarHBondContact O-N 3.42Å; G405-D407 VanDerWaalsContact C-N 3.35Å; G405-D407 PolarHBondContact O-N 3.03Å; G405-S408 PolarHBondContact O-N 3.29Å; G405-M409 WeakPolarHBondContact O-CG 3.32Å; G405-M409 PolarHBondContact O-N 3.31Å |
| 406 | I | 95.1 | Very high | 95.2 | Very high | 16 Ų | 16 | 9.7 Ų | 9.7 | 8% | 0.082 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -63.6 | -41.2 | -176.2 | -76.7 | 171.7 | 0 | 0 | 0 | 110.7 | L142 I236 I402 L403 M409 F410 | L142-I406 HydrophobicContact CD2-CG1 3.73Å; I236-I406 HydrophobicContact CG2-CD1 3.85Å; I236-I406 HydrophobicContact CG2-CG1 4.48Å; I402-I406 HydrophobicContact CG2-CD1 3.44Å; I402-I406 VanDerWaalsContact CG2-CD1 3.44Å; I402-I406 HydrophobicContact CG2-CG1 4.03Å; I402-I406 WeakPolarHBondContact O-CB 3.47Å; I402-I406 VanDerWaalsContact O-CG1 3.25Å; I402-I406 WeakPolarHBondContact O-CG1 3.41Å; I402-I406 PolarHBondContact O-N 3.5Å; L403-I406 PolarHBondContact O-N 2.79Å; I406-M409 PolarHBondContact O-N 2.95Å; I406-F410 WeakPolarHBondContact O-CB 3.27Å; I406-F410 PolarHBondContact O-N 3.15Å |
| 407 | D | 93.8 | Very high | 95.2 | Very high | 2 Ų | 2 | 9.3 Ų | 9.3 | 1% | 0.011 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -65.2 | -43.4 | -179.8 | -73.8 | -26.7 | 0 | 0 | 0 | 112.1 | G57 T255 A256 L403 G405 M409 F410 A411 | G57-D407 VanDerWaalsContact C-CB 3.48Å; G57-D407 WeakPolarHBondContact O-CB 3.25Å; T255-D407 VanDerWaalsContact CB-OD1 3.25Å; T255-D407 WeakPolarHBondContact CB-OD1 3.5Å; T255-D407 WeakPolarHBondContact CB-OD2 3.5Å; T255-D407 VanDerWaalsContact OG1-CG 3.24Å; T255-D407 PolarHBondContact OG1-OD1 3.33Å; T255-D407 PolarHBondContact OG1-OD2 3.32Å; A256-D407 VanDerWaalsContact CA-OD2 3.23Å; A256-D407 WeakPolarHBondContact CA-OD2 3.44Å; A256-D407 PolarHBondContact N-OD2 2.86Å; L403-D407 PolarHBondContact O-N 3.45Å; G405-D407 VanDerWaalsContact C-N 3.35Å; G405-D407 PolarHBondContact O-N 3.03Å; D407-M409 VanDerWaalsContact C-N 3.31Å; D407-M409 PolarHBondContact O-N 2.96Å; D407-F410 PolarHBondContact O-N 2.65Å; D407-A411 WeakPolarHBondContact O-CB 3.28Å; D407-A411 PolarHBondContact O-N 3.19Å; D407-A411 VanDerWaalsContact O-N 3.07Å |
| 408 | S | 95.1 | Very high | 95.2 | Very high | 15 Ų | 15 | 9.6 Ų | 9.6 | 11% | 0.105 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -60.4 | -42.5 | 174 | -57.1 | 0 | 0 | 0 | 0 | 111.8 | F58 Y138 L404 G405 A411 G412 | F58-S408 PolarHBondContact O-OG 3.23Å; F58-S408 VanDerWaalsContact O-OG 3.11Å; Y138-S408 PolarHBondContact OH-OG 2.83Å; L404-S408 PolarHBondContact O-OG 3.35Å; G405-S408 PolarHBondContact O-N 3.29Å; S408-A411 PolarHBondContact O-N 3.35Å; S408-G412 PolarHBondContact O-N 3.01Å |
| 409 | M | 95.3 | Very high | 95.2 | Very high | 2 Ų | 2 | 9.6 Ų | 9.6 | 1% | 0.01 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -68 | -41.6 | 179 | -73.8 | -55.9 | -42.4 | 0 | 0 | 113 | N135 Y138 T139 L142 W234 I237 G405 I406 D407 A411 V413 | N135-M409 HydrophobicContact CB-CE 3.9Å; N135-M409 VanDerWaalsContact O-CE 3.31Å; N135-M409 WeakPolarHBondContact O-CE 3.41Å; Y138-M409 HydrophobicContact CD1-CG 3.92Å; Y138-M409 HydrophobicContact CD1-SD 3.67Å; Y138-M409 HydrophobicContact CE1-CG 4.47Å; Y138-M409 HydrophobicContact CG-SD 4.29Å; T139-M409 HydrophobicContact CG2-CE 3.44Å; T139-M409 VanDerWaalsContact CG2-CE 3.44Å; T139-M409 HydrophobicContact CG2-CG 4.03Å; T139-M409 HydrophobicContact CG2-SD 3.74Å; L142-M409 HydrophobicContact CD1-CG 4.15Å; L142-M409 HydrophobicContact CD2-CG 4.06Å; W234-M409 HydrophobicContact CH2-CE 3.81Å; W234-M409 HydrophobicContact CZ2-CE 4.41Å; W234-M409 HydrophobicContact CZ3-CE 4.31Å; I237-M409 HydrophobicContact CD1-CB 3.7Å; I237-M409 HydrophobicContact CD1-CE 4.06Å; I237-M409 HydrophobicContact CD1-CG 3.96Å; I237-M409 HydrophobicContact CG1-CB 4.02Å; G405-M409 WeakPolarHBondContact O-CG 3.32Å; G405-M409 PolarHBondContact O-N 3.31Å; I406-M409 PolarHBondContact O-N 2.95Å; D407-M409 VanDerWaalsContact C-N 3.31Å; D407-M409 PolarHBondContact O-N 2.96Å; M409-A411 VanDerWaalsContact C-N 3.33Å; M409-A411 PolarHBondContact O-N 3.37Å; M409-V413 HydrophobicContact CE-CG2 4.14Å; M409-V413 WeakPolarHBondContact O-CB 3.2Å; M409-V413 VanDerWaalsContact O-CG2 3.27Å; M409-V413 WeakPolarHBondContact O-CG2 3.46Å; M409-V413 PolarHBondContact O-N 3.48Å |
| 410 | F | 92.9 | Very high | 95 | Very high | 4 Ų | 4 | 7.9 Ų | 7.9 | 2% | 0.018 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -54.4 | -53.4 | 174.2 | 155.6 | -99.2 | 0 | 0 | 0 | 110.1 | I241 I245 S248 M252 F318 I406 D407 V413 E414 | I241-F410 HydrophobicContact CD1-CD2 4.26Å; I241-F410 HydrophobicContact CG1-CD2 3.42Å; I241-F410 VanDerWaalsContact CG1-CD2 3.42Å; I241-F410 HydrophobicContact CG1-CE2 3.86Å; I245-F410 HydrophobicContact CD1-CZ 3.76Å; S248-F410 WeakPolarHBondContact OG-CE2 3.42Å; M252-F410 HydrophobicContact CE-CD1 4.36Å; M252-F410 HydrophobicContact CE-CE1 3.67Å; M252-F410 HydrophobicContact CE-CZ 4.34Å; M252-F410 HydrophobicContact CG-CD1 4.14Å; M252-F410 HydrophobicContact CG-CE1 4.37Å; M252-F410 HydrophobicContact SD-CD1 3.47Å; M252-F410 WeakPolarHBondContact SD-CD1 3.3Å; M252-F410 HydrophobicContact SD-CE1 3.32Å; M252-F410 WeakPolarHBondContact SD-CE1 3.35Å; M252-F410 HydrophobicContact SD-CZ 4.45Å; F318-F410 HydrophobicContact CE1-CE1 4.3Å; F318-F410 HydrophobicContact CZ-CE1 4.1Å; I406-F410 WeakPolarHBondContact O-CB 3.27Å; I406-F410 PolarHBondContact O-N 3.15Å; D407-F410 PolarHBondContact O-N 2.65Å; F410-V413 PolarHBondContact O-N 3.41Å; F410-E414 HydrophobicContact CE2-CB 4.03Å; F410-E414 HydrophobicContact CE2-CG 4.4Å; F410-E414 HydrophobicContact CZ-CB 4.05Å; F410-E414 HydrophobicContact CZ-CG 4.2Å; F410-E414 VanDerWaalsContact O-CB 3.3Å; F410-E414 WeakPolarHBondContact O-CB 3.43Å; F410-E414 PolarHBondContact O-N 3.44Å |
| 411 | A | 94.9 | Very high | 94.8 | Very high | 1 Ų | 1 | 8.5 Ų | 8.5 | 1% | 0.008 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -66.5 | -44.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112 | F58 V314 F318 D407 S408 M409 E414 G415 | F58-A411 HydrophobicContact CB-CB 3.54Å; F58-A411 HydrophobicContact CD1-CB 4.42Å; F58-A411 HydrophobicContact CD2-CB 3.27Å; F58-A411 HydrophobicContact CE2-CB 4.03Å; F58-A411 HydrophobicContact CG-CB 3.49Å; F58-A411 VanDerWaalsContact CG-CB 3.49Å; V314-A411 HydrophobicContact CG1-CB 3.96Å; V314-A411 VanDerWaalsContact CG1-O 3.29Å; V314-A411 WeakPolarHBondContact CG1-O 3.33Å; F318-A411 HydrophobicContact CE1-CB 4.29Å; F318-A411 HydrophobicContact CE2-CB 4.03Å; F318-A411 HydrophobicContact CZ-CB 3.41Å; F318-A411 VanDerWaalsContact CZ-CB 3.41Å; D407-A411 WeakPolarHBondContact O-CB 3.28Å; D407-A411 PolarHBondContact O-N 3.19Å; D407-A411 VanDerWaalsContact O-N 3.07Å; S408-A411 PolarHBondContact O-N 3.35Å; M409-A411 VanDerWaalsContact C-N 3.33Å; M409-A411 PolarHBondContact O-N 3.37Å; A411-E414 PolarHBondContact O-N 3.27Å; A411-G415 PolarHBondContact O-N 3.32Å |
| 412 | G | 95.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -59.5 | -48.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | N131 N135 S408 G415 F416 | N131-G412 PolarHBondContact ND2-O 2.76Å; N131-G412 WeakPolarHBondContact OD1-CA 3.17Å; N131-G412 PolarHBondContact OD1-O 3.01Å; N135-G412 PolarHBondContact ND2-O 3.24Å; N135-G412 WeakPolarHBondContact OD1-CA 3.25Å; S408-G412 PolarHBondContact O-N 3.01Å; G412-G415 PolarHBondContact O-N 3.01Å; G412-F416 PolarHBondContact O-N 3.22Å |
| 413 | V | 96.2 | Very high | 93.8 | Very high | 1 Ų | 1 | 13.7 Ų | 13.7 | 1% | 0.006 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -66.4 | -45 | 177.6 | 176.4 | 0 | 0 | 0 | 0 | 110.5 | W234 I237 I241 M409 F410 G415 F416 I417 V441 | W234-V413 HydrophobicContact CH2-CG2 4.25Å; W234-V413 HydrophobicContact CZ3-CG2 3.9Å; I237-V413 HydrophobicContact CG2-CG2 4.15Å; I241-V413 HydrophobicContact CD1-CB 3.55Å; I241-V413 HydrophobicContact CD1-CG1 3.5Å; I241-V413 VanDerWaalsContact CD1-CG1 3.5Å; I241-V413 HydrophobicContact CD1-CG2 4.4Å; M409-V413 HydrophobicContact CE-CG2 4.14Å; M409-V413 WeakPolarHBondContact O-CB 3.2Å; M409-V413 VanDerWaalsContact O-CG2 3.27Å; M409-V413 WeakPolarHBondContact O-CG2 3.46Å; M409-V413 PolarHBondContact O-N 3.48Å; F410-V413 PolarHBondContact O-N 3.41Å; V413-G415 VanDerWaalsContact C-N 3.31Å; V413-G415 PolarHBondContact O-N 2.87Å; V413-F416 WeakPolarHBondContact O-CB 3.29Å; V413-F416 PolarHBondContact O-N 2.97Å; V413-F416 VanDerWaalsContact O-N 3.09Å; V413-I417 HydrophobicContact CG1-CG1 4.17Å; V413-I417 VanDerWaalsContact O-CG1 3.28Å; V413-I417 WeakPolarHBondContact O-CG1 3.35Å; V413-I417 PolarHBondContact O-N 2.89Å; V413-V441 HydrophobicContact CG1-CG1 4.33Å |
| 414 | E | 94.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -57.3 | -43.6 | 176.9 | -175.2 | 63.1 | -157.3 | 0 | 0 | 111.8 | I241 I245 Y321 F410 A411 F416 I417 V418 R434 | I241-E414 WeakPolarHBondContact CG2-OE2 3.42Å; I245-E414 HydrophobicContact CD1-CG 4.17Å; Y321-E414 HydrophobicContact CE2-CG 4.32Å; Y321-E414 PolarHBondContact OH-OE1 2.95Å; F410-E414 HydrophobicContact CE2-CB 4.03Å; F410-E414 HydrophobicContact CE2-CG 4.4Å; F410-E414 HydrophobicContact CZ-CB 4.05Å; F410-E414 HydrophobicContact CZ-CG 4.2Å; F410-E414 VanDerWaalsContact O-CB 3.3Å; F410-E414 WeakPolarHBondContact O-CB 3.43Å; F410-E414 PolarHBondContact O-N 3.44Å; A411-E414 PolarHBondContact O-N 3.27Å; E414-F416 VanDerWaalsContact C-N 3.29Å; E414-F416 PolarHBondContact O-N 3.38Å; E414-I417 PolarHBondContact O-N 3.32Å; E414-I417 VanDerWaalsContact O-N 3.13Å; E414-V418 HydrophobicContact CG-CG2 4.36Å; E414-V418 VanDerWaalsContact O-CG2 3.31Å; E414-V418 WeakPolarHBondContact O-CG2 3.43Å; E414-V418 PolarHBondContact O-N 2.92Å; E414-R434 VanDerWaalsContact CD-NH2 3.28Å; E414-R434 IonicContact OE1-NH2 3.26Å; E414-R434 PolarHBondContact OE1-NH2 3.12Å; E414-R434 VanDerWaalsContact OE1-NH2 3.09Å; E414-R434 IonicContact OE2-CZ 2.76Å; E414-R434 IonicContact OE2-NH2 2.75Å; E414-R434 PolarHBondContact OE2-NH2 3.01Å |
| 415 | G | 95.8 | Very high | 92.7 | Very high | 3 Ų | 3 | 19.3 Ų | 19.3 | 3% | 0.031 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -58.6 | -40.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | A411 G412 V413 A419 | A411-G415 PolarHBondContact O-N 3.32Å; G412-G415 PolarHBondContact O-N 3.01Å; V413-G415 VanDerWaalsContact C-N 3.31Å; V413-G415 PolarHBondContact O-N 2.87Å; G415-A419 WeakPolarHBondContact O-CB 3.41Å; G415-A419 PolarHBondContact O-N 3.47Å |
| 416 | F | 96 | Very high | 92.1 | Very high | 42 Ų | 42 | 27.6 Ų | 27.6 | 18% | 0.184 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -65.3 | -43.6 | 173.7 | -176 | -87.3 | 0 | 0 | 0 | 112 | T128 F132 G412 V413 E414 V418 A419 A420 F437 V441 | T128-F416 HydrophobicContact CG2-CD2 3.64Å; T128-F416 HydrophobicContact CG2-CE2 3.87Å; F132-F416 HydrophobicContact CB-CD2 4.14Å; F132-F416 HydrophobicContact CB-CE2 4.05Å; F132-F416 HydrophobicContact CD2-CD2 4.43Å; F132-F416 HydrophobicContact CD2-CE2 4.02Å; F132-F416 HydrophobicContact CD2-CZ 4.39Å; F132-F416 HydrophobicContact CG-CE2 4.34Å; G412-F416 PolarHBondContact O-N 3.22Å; V413-F416 WeakPolarHBondContact O-CB 3.29Å; V413-F416 PolarHBondContact O-N 2.97Å; V413-F416 VanDerWaalsContact O-N 3.09Å; E414-F416 VanDerWaalsContact C-N 3.29Å; E414-F416 PolarHBondContact O-N 3.38Å; F416-V418 VanDerWaalsContact C-N 3.35Å; F416-V418 PolarHBondContact O-N 3.26Å; F416-A419 PolarHBondContact O-N 3.45Å; F416-A420 PolarHBondContact O-N 3.46Å; F416-F437 HydrophobicContact CE1-CZ 4.46Å; F416-V441 HydrophobicContact CD1-CG1 4.06Å; F416-V441 HydrophobicContact CD1-CG2 4.04Å; F416-V441 HydrophobicContact CE1-CG1 4.26Å; F416-V441 HydrophobicContact CE1-CG2 3.75Å |
| 417 | I | 94.4 | Very high | 91.6 | Very high | 5 Ų | 5 | 31.2 Ų | 31.2 | 3% | 0.026 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.8 | -41.8 | 178.6 | -61.5 | -64.5 | 0 | 0 | 0 | 111.1 | V413 E414 A420 G421 F437 V438 V441 | V413-I417 HydrophobicContact CG1-CG1 4.17Å; V413-I417 VanDerWaalsContact O-CG1 3.28Å; V413-I417 WeakPolarHBondContact O-CG1 3.35Å; V413-I417 PolarHBondContact O-N 2.89Å; E414-I417 PolarHBondContact O-N 3.32Å; E414-I417 VanDerWaalsContact O-N 3.13Å; I417-A420 PolarHBondContact O-N 3.21Å; I417-G421 PolarHBondContact O-N 3.1Å; I417-F437 HydrophobicContact CD1-CD1 3.53Å; I417-F437 HydrophobicContact CD1-CE1 3.48Å; I417-F437 VanDerWaalsContact CD1-CE1 3.48Å; I417-F437 HydrophobicContact CG2-CD1 4.37Å; I417-V438 HydrophobicContact CD1-CB 4.37Å; I417-V438 HydrophobicContact CD1-CG2 3.8Å; I417-V438 HydrophobicContact CG1-CG2 4.01Å; I417-V438 HydrophobicContact CG2-CG2 4.33Å; I417-V441 HydrophobicContact CD1-CB 4.19Å; I417-V441 HydrophobicContact CD1-CG2 3.78Å |
| 418 | V | 94.2 | Very high | 91.2 | Very high | 11 Ų | 11 | 32.1 Ų | 32.1 | 7% | 0.067 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -66.5 | -40.4 | 177.5 | 179.7 | 0 | 0 | 0 | 0 | 110.9 | G109 A317 Y321 E414 F416 A420 G421 D422 | G109-V418 VanDerWaalsContact CA-CG1 3.49Å; A317-V418 HydrophobicContact CB-CB 3.98Å; A317-V418 HydrophobicContact CB-CG1 4.09Å; A317-V418 HydrophobicContact CB-CG2 4.23Å; Y321-V418 HydrophobicContact CE2-CG2 3.96Å; Y321-V418 WeakPolarHBondContact OH-CG2 3.49Å; E414-V418 HydrophobicContact CG-CG2 4.36Å; E414-V418 VanDerWaalsContact O-CG2 3.31Å; E414-V418 WeakPolarHBondContact O-CG2 3.43Å; E414-V418 PolarHBondContact O-N 2.92Å; F416-V418 VanDerWaalsContact C-N 3.35Å; F416-V418 PolarHBondContact O-N 3.26Å; V418-A420 PolarHBondContact O-N 3.12Å; V418-G421 WeakPolarHBondContact O-CA 3.34Å; V418-G421 PolarHBondContact O-N 3.37Å; V418-D422 PolarHBondContact O-N 3.02Å |
| 419 | A | 95.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.7 | -41.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | V110 I111 T128 G415 F416 | V110-A419 HydrophobicContact CG1-CB 4.09Å; I111-A419 HydrophobicContact CD1-CB 4.07Å; I111-A419 HydrophobicContact CG1-CB 4.23Å; T128-A419 HydrophobicContact CG2-CB 3.95Å; G415-A419 WeakPolarHBondContact O-CB 3.41Å; G415-A419 PolarHBondContact O-N 3.47Å; F416-A419 PolarHBondContact O-N 3.45Å |
| 420 | A | 92.1 | Very high | 90.3 | Very high | 20 Ų | 20 | 39.4 Ų | 39.4 | 17% | 0.165 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -69.6 | -35.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | F416 I417 V418 D422 Y423 F424 L428 F437 | F416-A420 PolarHBondContact O-N 3.46Å; I417-A420 PolarHBondContact O-N 3.21Å; V418-A420 PolarHBondContact O-N 3.12Å; A420-D422 PolarHBondContact O-N 3.19Å; A420-Y423 PolarHBondContact O-N 3.04Å; A420-Y423 VanDerWaalsContact O-N 3.12Å; A420-F424 PolarHBondContact O-N 3.05Å; A420-L428 HydrophobicContact CB-CD1 4.41Å; A420-F437 HydrophobicContact CB-CE1 3.59Å; A420-F437 HydrophobicContact CB-CZ 3.47Å; A420-F437 VanDerWaalsContact CB-CZ 3.47Å |
| 421 | G | 89.5 | Confident | 90.1 | Very high | 16 Ų | 16 | 44.9 Ų | 44.9 | 17% | 0.165 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -54.3 | -30.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | I417 V418 Y423 F424 P425 L428 | I417-G421 PolarHBondContact O-N 3.1Å; V418-G421 WeakPolarHBondContact O-CA 3.34Å; V418-G421 PolarHBondContact O-N 3.37Å; G421-Y423 VanDerWaalsContact C-N 3.29Å; G421-Y423 PolarHBondContact O-N 3.3Å; G421-F424 CarbonylContact O-C 3.53Å; G421-P425 VanDerWaalsContact O-CA 3.22Å; G421-P425 WeakPolarHBondContact O-CA 3.25Å; G421-P425 VanDerWaalsContact O-N 3.16Å; G421-L428 VanDerWaalsContact CA-CD1 3.47Å |
| 422 | D | 85.1 | Confident | 89.9 | Confident | 23 Ų | 23 | 51.5 Ų | 51.5 | 12% | 0.123 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -29 | 178.4 | -71.2 | -27.2 | 0 | 0 | 0 | 113.3 | G109 A112 V418 A420 | G109-D422 WeakPolarHBondContact CA-OD2 3.21Å; G109-D422 VanDerWaalsContact N-CG 3.35Å; G109-D422 PolarHBondContact N-OD1 3.15Å; G109-D422 PolarHBondContact N-OD2 2.72Å; G109-D422 VanDerWaalsContact O-OD2 3.08Å; A112-D422 HydrophobicContact CB-CB 3.63Å; A112-D422 VanDerWaalsContact CB-CG 3.49Å; A112-D422 WeakPolarHBondContact CB-OD2 3.36Å; A112-D422 PolarHBondContact N-OD2 3.29Å; V418-D422 PolarHBondContact O-N 3.02Å; A420-D422 PolarHBondContact O-N 3.19Å |
| 423 | Y | 86.2 | Confident | 89.7 | Confident | 99 Ų | 99 | 57.2 Ų | 57.2 | 39% | 0.388 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -30 | 179.3 | -75.1 | -81.7 | 0 | 0 | 0 | 113.5 | I111 Y125 A420 G421 P425 | I111-Y423 HydrophobicContact CB-CE2 4.08Å; I111-Y423 HydrophobicContact CD1-CE2 4.02Å; I111-Y423 HydrophobicContact CG2-CE2 3.59Å; I111-Y423 WeakPolarHBondContact CG2-OH 3.39Å; Y125-Y423 AromaticContact CZ-CZ 3.9Å; Y125-Y423 PolarHBondContact OH-OH 3.26Å; A420-Y423 PolarHBondContact O-N 3.04Å; A420-Y423 VanDerWaalsContact O-N 3.12Å; G421-Y423 VanDerWaalsContact C-N 3.29Å; G421-Y423 PolarHBondContact O-N 3.3Å; Y423-P425 VanDerWaalsContact O-CD 3.31Å; Y423-P425 WeakPolarHBondContact O-CD 3.25Å |
| 424 | F | 86.7 | Confident | 89.6 | Confident | 118 Ų | 118 | 58.3 Ų | 58.3 | 52% | 0.518 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -119.6 | 52.3 | -179.9 | -53.2 | -73 | 0 | 0 | 0 | 111.9 | A420 G421 Y426 I427 L428 | A420-F424 PolarHBondContact O-N 3.05Å; G421-F424 CarbonylContact O-C 3.53Å; F424-Y426 PolarHBondContact O-N 2.89Å; F424-I427 HydrophobicContact CB-CB 4.33Å; F424-I427 HydrophobicContact CB-CD1 4.43Å; F424-I427 HydrophobicContact CD1-CD1 4.37Å; F424-I427 PolarHBondContact O-N 2.89Å; F424-L428 HydrophobicContact CB-CD1 4.32Å; F424-L428 HydrophobicContact CB-CG 4.39Å; F424-L428 PolarHBondContact O-N 3.19Å |
| 425 | P | 82.5 | Confident | 89.5 | Confident | 28 Ų | 28 | 59.4 Ų | 59.4 | 18% | 0.182 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.9 | -47.6 | -169.1 | 23.8 | -33.9 | 0 | 0 | 0 | 112 | M40 G421 Y423 I427 L428 M429 | M40-P425 HydrophobicContact SD-CB 4.38Å; G421-P425 VanDerWaalsContact O-CA 3.22Å; G421-P425 WeakPolarHBondContact O-CA 3.25Å; G421-P425 VanDerWaalsContact O-N 3.16Å; Y423-P425 VanDerWaalsContact O-CD 3.31Å; Y423-P425 WeakPolarHBondContact O-CD 3.25Å; P425-I427 VanDerWaalsContact C-N 3.27Å; P425-I427 PolarHBondContact O-N 3.31Å; P425-L428 PolarHBondContact O-N 2.72Å; P425-M429 VanDerWaalsContact O-CB 3.29Å; P425-M429 WeakPolarHBondContact O-CB 3.37Å; P425-M429 WeakPolarHBondContact O-CG 3.25Å; P425-M429 PolarHBondContact O-N 3.28Å |
| 426 | Y | 81.9 | Confident | 89.5 | Confident | 174 Ų | 174 | 63.7 Ų | 63.7 | 68% | 0.682 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -61.7 | -35 | -179.3 | -60 | -73.3 | 0 | 0 | 0 | 113.1 | F424 | F424-Y426 PolarHBondContact O-N 2.89Å |
| 427 | I | 84.9 | Confident | 89.4 | Confident | 91 Ų | 91 | 64.3 Ų | 64.3 | 47% | 0.467 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -74.3 | -50.3 | 178.9 | -59.7 | 175.3 | 0 | 0 | 0 | 109.6 | F424 P425 M429 N430 Y433 | F424-I427 HydrophobicContact CB-CB 4.33Å; F424-I427 HydrophobicContact CB-CD1 4.43Å; F424-I427 HydrophobicContact CD1-CD1 4.37Å; F424-I427 PolarHBondContact O-N 2.89Å; P425-I427 VanDerWaalsContact C-N 3.27Å; P425-I427 PolarHBondContact O-N 3.31Å; I427-M429 VanDerWaalsContact C-N 3.33Å; I427-M429 PolarHBondContact O-N 2.88Å; I427-N430 WeakPolarHBondContact O-CB 3.12Å; I427-N430 PolarHBondContact O-N 2.79Å; I427-N430 VanDerWaalsContact O-N 3.15Å; I427-Y433 HydrophobicContact CG2-CD2 4.28Å; I427-Y433 HydrophobicContact CG2-CG 4.12Å; I427-Y433 WeakPolarHBondContact O-CB 3.32Å |
| 428 | L | 86.3 | Confident | 89.5 | Confident | 21 Ų | 21 | 64.1 Ų | 64.1 | 11% | 0.11 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -79.9 | -11.7 | -173.6 | -66 | 177.4 | 0 | 0 | 0 | 114.2 | A420 G421 F424 P425 N430 R434 F437 | A420-L428 HydrophobicContact CB-CD1 4.41Å; G421-L428 VanDerWaalsContact CA-CD1 3.47Å; F424-L428 HydrophobicContact CB-CD1 4.32Å; F424-L428 HydrophobicContact CB-CG 4.39Å; F424-L428 PolarHBondContact O-N 3.19Å; P425-L428 PolarHBondContact O-N 2.72Å; L428-N430 VanDerWaalsContact C-N 3.3Å; L428-R434 WeakPolarHBondContact O-CB 3.41Å; L428-F437 HydrophobicContact CD1-CD1 3.99Å; L428-F437 HydrophobicContact CD1-CE1 4.08Å; L428-F437 HydrophobicContact CD2-CB 3.54Å; L428-F437 HydrophobicContact CD2-CD1 3.65Å; L428-F437 HydrophobicContact CD2-CG 3.67Å |
| 429 | M | 82 | Confident | 89.6 | Confident | 94 Ų | 94 | 64.3 Ų | 64.3 | 46% | 0.463 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -68.4 | -30.3 | 164.6 | -79.7 | 174.8 | 69.7 | 0 | 0 | 112.4 | M40 P425 I427 K431 | M40-M429 HydrophobicContact CB-CE 4.14Å; M40-M429 HydrophobicContact CB-SD 4.11Å; M40-M429 HydrophobicContact CG-CE 4.29Å; M40-M429 HydrophobicContact CG-SD 3.84Å; P425-M429 VanDerWaalsContact O-CB 3.29Å; P425-M429 WeakPolarHBondContact O-CB 3.37Å; P425-M429 WeakPolarHBondContact O-CG 3.25Å; P425-M429 PolarHBondContact O-N 3.28Å; I427-M429 VanDerWaalsContact C-N 3.33Å; I427-M429 PolarHBondContact O-N 2.88Å; M429-K431 PolarHBondContact O-N 2.9Å |
| 430 | N | 88.4 | Confident | 89.6 | Confident | 76 Ų | 76 | 67.8 Ų | 67.8 | 41% | 0.406 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -73.6 | 114.6 | 173.9 | -173.9 | -40.6 | 0 | 0 | 0 | 109.2 | I427 L428 K432 Y433 R434 | I427-N430 WeakPolarHBondContact O-CB 3.12Å; I427-N430 PolarHBondContact O-N 2.79Å; I427-N430 VanDerWaalsContact O-N 3.15Å; L428-N430 VanDerWaalsContact C-N 3.3Å; N430-K432 PolarHBondContact O-N 3.29Å; N430-K432 VanDerWaalsContact O-N 3.09Å; N430-K432 WeakPolarHBondContact OD1-CB 3.48Å; N430-K432 PolarHBondContact OD1-N 3.01Å; N430-Y433 HydrophobicContact CB-CD2 3.63Å; N430-Y433 HydrophobicContact CB-CE2 4.35Å; N430-Y433 HydrophobicContact CB-CG 4.45Å; N430-Y433 PolarHBondContact O-N 3.28Å; N430-R434 PolarHBondContact O-N 3.24Å |
| 431 | K | 88.5 | Confident | 89.8 | Confident | 120 Ų | 120 | 67.7 Ų | 67.7 | 52% | 0.522 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -50.6 | -38.6 | -178.3 | -173 | 177.7 | -179 | -176.4 | 0 | 113.4 | N243 M429 R434 C435 | N243-K431 WeakPolarHBondContact OD1-CE 3.32Å; N243-K431 PolarHBondContact OD1-NZ 2.97Å; M429-K431 PolarHBondContact O-N 2.9Å; K431-R434 PolarHBondContact O-N 3.37Å; K431-C435 PolarHBondContact O-N 3.02Å; K431-C435 PolarHBondContact O-SG 3.32Å |
| 432 | K | 91.4 | Very high | 90.1 | Very high | 140 Ų | 140 | 67.2 Ų | 67.2 | 61% | 0.609 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -63.9 | -49.8 | 179.1 | -177.2 | -176.3 | 176.5 | -176.4 | 0 | 111.3 | N430 C435 I436 | N430-K432 PolarHBondContact O-N 3.29Å; N430-K432 VanDerWaalsContact O-N 3.09Å; N430-K432 WeakPolarHBondContact OD1-CB 3.48Å; N430-K432 PolarHBondContact OD1-N 3.01Å; K432-C435 PolarHBondContact O-N 2.78Å; K432-I436 HydrophobicContact CG-CD1 4.29Å; K432-I436 WeakPolarHBondContact O-CG1 3.23Å; K432-I436 PolarHBondContact O-N 3.46Å; K432-I436 VanDerWaalsContact O-N 3.1Å |
| 433 | Y | 92.4 | Very high | 90.7 | Very high | 119 Ų | 119 | 71.2 Ų | 71.2 | 47% | 0.467 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -69.3 | -35.4 | 179.6 | -63.4 | -52.6 | 0 | 0 | 0 | 111.7 | I427 N430 I436 F437 | I427-Y433 HydrophobicContact CG2-CD2 4.28Å; I427-Y433 HydrophobicContact CG2-CG 4.12Å; I427-Y433 WeakPolarHBondContact O-CB 3.32Å; N430-Y433 HydrophobicContact CB-CD2 3.63Å; N430-Y433 HydrophobicContact CB-CE2 4.35Å; N430-Y433 HydrophobicContact CB-CG 4.45Å; N430-Y433 PolarHBondContact O-N 3.28Å; Y433-I436 HydrophobicContact CD1-CD1 4.38Å; Y433-I436 PolarHBondContact O-N 3.23Å; Y433-F437 WeakPolarHBondContact O-CB 3.09Å; Y433-F437 PolarHBondContact O-N 3.3Å |
| 434 | R | 92.7 | Very high | 91.2 | Very high | 25 Ų | 25 | 68 Ų | 68 | 9% | 0.094 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -57.2 | -50.3 | 170.2 | -170.1 | -173 | 176.5 | -77.9 | -0.5 | 111.5 | I241 E414 L428 N430 K431 I436 F437 V438 | I241-R434 PolarHBondContact O-NH1 2.81Å; E414-R434 VanDerWaalsContact CD-NH2 3.28Å; E414-R434 IonicContact OE1-NH2 3.26Å; E414-R434 PolarHBondContact OE1-NH2 3.12Å; E414-R434 VanDerWaalsContact OE1-NH2 3.09Å; E414-R434 IonicContact OE2-CZ 2.76Å; E414-R434 IonicContact OE2-NH2 2.75Å; E414-R434 PolarHBondContact OE2-NH2 3.01Å; L428-R434 WeakPolarHBondContact O-CB 3.41Å; N430-R434 PolarHBondContact O-N 3.24Å; K431-R434 PolarHBondContact O-N 3.37Å; R434-I436 VanDerWaalsContact C-N 3.32Å; R434-I436 PolarHBondContact O-N 3.01Å; R434-F437 PolarHBondContact O-N 3.37Å; R434-V438 HydrophobicContact CG-CG2 4.42Å; R434-V438 VanDerWaalsContact O-CG2 3.3Å; R434-V438 WeakPolarHBondContact O-CG2 3.39Å; R434-V438 PolarHBondContact O-N 3.47Å |
| 435 | C | 94.3 | Very high | 91.7 | Very high | 23 Ų | 23 | 62.5 Ų | 62.5 | 16% | 0.155 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -57.8 | -45.1 | 177.9 | -68.2 | 0 | 0 | 0 | 0 | 111.7 | W242 K431 K432 F437 V438 G439 | W242-C435 PolarHBondContact O-SG 3.49Å; K431-C435 PolarHBondContact O-N 3.02Å; K431-C435 PolarHBondContact O-SG 3.32Å; K432-C435 PolarHBondContact O-N 2.78Å; C435-F437 VanDerWaalsContact C-N 3.34Å; C435-F437 PolarHBondContact O-N 2.78Å; C435-V438 PolarHBondContact O-N 3.26Å; C435-G439 PolarHBondContact O-N 3.28Å |
| 436 | I | 94.9 | Very high | 92.4 | Very high | 92 Ų | 92 | 63.5 Ų | 63.5 | 47% | 0.472 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.1 | -46.2 | 177.1 | -66.7 | 166.5 | 0 | 0 | 0 | 110.3 | K432 Y433 R434 G439 C440 | K432-I436 HydrophobicContact CG-CD1 4.29Å; K432-I436 WeakPolarHBondContact O-CG1 3.23Å; K432-I436 PolarHBondContact O-N 3.46Å; K432-I436 VanDerWaalsContact O-N 3.1Å; Y433-I436 HydrophobicContact CD1-CD1 4.38Å; Y433-I436 PolarHBondContact O-N 3.23Å; R434-I436 VanDerWaalsContact C-N 3.32Å; R434-I436 PolarHBondContact O-N 3.01Å; I436-G439 CarbonylContact O-C 3.59Å; I436-G439 WeakPolarHBondContact O-CA 3.1Å; I436-G439 PolarHBondContact O-N 3.41Å; I436-G439 VanDerWaalsContact O-N 3.16Å; I436-C440 PolarHBondContact O-N 3.12Å; I436-C440 PolarHBondContact O-SG 3.49Å; I436-C440 VanDerWaalsContact O-SG 3.33Å |
| 437 | F | 94.9 | Very high | 93.1 | Very high | 56 Ų | 56 | 60.3 Ų | 60.3 | 25% | 0.246 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.1 | -44.1 | 179.7 | -178.4 | -110.9 | 0 | 0 | 0 | 112.6 | F416 I417 A420 L428 Y433 R434 C435 G439 C440 V441 | F416-F437 HydrophobicContact CE1-CZ 4.46Å; I417-F437 HydrophobicContact CD1-CD1 3.53Å; I417-F437 HydrophobicContact CD1-CE1 3.48Å; I417-F437 VanDerWaalsContact CD1-CE1 3.48Å; I417-F437 HydrophobicContact CG2-CD1 4.37Å; A420-F437 HydrophobicContact CB-CE1 3.59Å; A420-F437 HydrophobicContact CB-CZ 3.47Å; A420-F437 VanDerWaalsContact CB-CZ 3.47Å; L428-F437 HydrophobicContact CD1-CD1 3.99Å; L428-F437 HydrophobicContact CD1-CE1 4.08Å; L428-F437 HydrophobicContact CD2-CB 3.54Å; L428-F437 HydrophobicContact CD2-CD1 3.65Å; L428-F437 HydrophobicContact CD2-CG 3.67Å; Y433-F437 WeakPolarHBondContact O-CB 3.09Å; Y433-F437 PolarHBondContact O-N 3.3Å; R434-F437 PolarHBondContact O-N 3.37Å; C435-F437 VanDerWaalsContact C-N 3.34Å; C435-F437 PolarHBondContact O-N 2.78Å; F437-G439 VanDerWaalsContact C-N 3.28Å; F437-G439 PolarHBondContact O-N 3.34Å; F437-C440 WeakPolarHBondContact O-CB 3.18Å; F437-C440 PolarHBondContact O-N 2.94Å; F437-C440 VanDerWaalsContact O-N 3.16Å; F437-V441 HydrophobicContact CD1-CG2 4.49Å; F437-V441 HydrophobicContact CE1-CG2 4.08Å; F437-V441 HydrophobicContact CE2-CG2 4.28Å; F437-V441 HydrophobicContact CZ-CG2 3.96Å; F437-V441 WeakPolarHBondContact O-CG2 3.38Å; F437-V441 PolarHBondContact O-N 3.41Å |
| 438 | V | 95.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -57.9 | -44.7 | 172.7 | 178.1 | 0 | 0 | 0 | 0 | 110.1 | Y238 I241 I417 R434 C435 C440 V441 C442 | Y238-V438 HydrophobicContact CD2-CB 4.43Å; Y238-V438 HydrophobicContact CD2-CG1 3.9Å; Y238-V438 HydrophobicContact CE2-CB 4.49Å; Y238-V438 HydrophobicContact CE2-CG1 4.4Å; I241-V438 HydrophobicContact CB-CG1 4.21Å; I241-V438 HydrophobicContact CG2-CG1 3.92Å; I241-V438 HydrophobicContact CG2-CG2 4.11Å; I417-V438 HydrophobicContact CD1-CB 4.37Å; I417-V438 HydrophobicContact CD1-CG2 3.8Å; I417-V438 HydrophobicContact CG1-CG2 4.01Å; I417-V438 HydrophobicContact CG2-CG2 4.33Å; R434-V438 HydrophobicContact CG-CG2 4.42Å; R434-V438 VanDerWaalsContact O-CG2 3.3Å; R434-V438 WeakPolarHBondContact O-CG2 3.39Å; R434-V438 PolarHBondContact O-N 3.47Å; C435-V438 PolarHBondContact O-N 3.26Å; V438-C440 PolarHBondContact O-N 2.76Å; V438-V441 PolarHBondContact O-N 2.87Å; V438-C442 PolarHBondContact O-N 2.9Å; V438-C442 PolarHBondContact O-SG 2.53Å |
| 439 | G | 96.4 | Very high | 94.2 | Very high | 15 Ų | 15 | 57.6 Ų | 57.6 | 16% | 0.155 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -57.9 | -44.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | C435 I436 F437 V441 C442 I443 | C435-G439 PolarHBondContact O-N 3.28Å; I436-G439 CarbonylContact O-C 3.59Å; I436-G439 WeakPolarHBondContact O-CA 3.1Å; I436-G439 PolarHBondContact O-N 3.41Å; I436-G439 VanDerWaalsContact O-N 3.16Å; F437-G439 VanDerWaalsContact C-N 3.28Å; F437-G439 PolarHBondContact O-N 3.34Å; G439-V441 PolarHBondContact O-N 3.31Å; G439-C442 PolarHBondContact O-N 3.48Å; G439-I443 WeakPolarHBondContact O-CB 3.41Å; G439-I443 VanDerWaalsContact O-CG1 3.25Å; G439-I443 WeakPolarHBondContact O-CG1 3.13Å; G439-I443 PolarHBondContact O-N 3.33Å |
| 440 | C | 96.1 | Very high | 95 | Very high | 74 Ų | 74 | 54.8 Ų | 54.8 | 50% | 0.5 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61.8 | -41.5 | 175.3 | -67 | 0 | 0 | 0 | 0 | 112.5 | I436 F437 V438 I443 G444 | I436-C440 PolarHBondContact O-N 3.12Å; I436-C440 PolarHBondContact O-SG 3.49Å; I436-C440 VanDerWaalsContact O-SG 3.33Å; F437-C440 WeakPolarHBondContact O-CB 3.18Å; F437-C440 PolarHBondContact O-N 2.94Å; F437-C440 VanDerWaalsContact O-N 3.16Å; V438-C440 PolarHBondContact O-N 2.76Å; C440-I443 PolarHBondContact O-N 2.62Å; C440-G444 PolarHBondContact O-N 3.28Å |
| 441 | V | 95.5 | Very high | 95.4 | Very high | 17 Ų | 17 | 53.3 Ų | 53.3 | 10% | 0.103 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.2 | -46.5 | 175.8 | 172 | 0 | 0 | 0 | 0 | 110.5 | V413 F416 I417 F437 V438 G439 I443 G444 S445 | V413-V441 HydrophobicContact CG1-CG1 4.33Å; F416-V441 HydrophobicContact CD1-CG1 4.06Å; F416-V441 HydrophobicContact CD1-CG2 4.04Å; F416-V441 HydrophobicContact CE1-CG1 4.26Å; F416-V441 HydrophobicContact CE1-CG2 3.75Å; I417-V441 HydrophobicContact CD1-CB 4.19Å; I417-V441 HydrophobicContact CD1-CG2 3.78Å; F437-V441 HydrophobicContact CD1-CG2 4.49Å; F437-V441 HydrophobicContact CE1-CG2 4.08Å; F437-V441 HydrophobicContact CE2-CG2 4.28Å; F437-V441 HydrophobicContact CZ-CG2 3.96Å; F437-V441 WeakPolarHBondContact O-CG2 3.38Å; F437-V441 PolarHBondContact O-N 3.41Å; V438-V441 PolarHBondContact O-N 2.87Å; G439-V441 PolarHBondContact O-N 3.31Å; V441-I443 PolarHBondContact O-N 3.35Å; V441-G444 PolarHBondContact O-N 2.92Å; V441-S445 WeakPolarHBondContact O-CB 3.11Å; V441-S445 PolarHBondContact O-N 2.98Å; V441-S445 PolarHBondContact O-OG 3Å |
| 442 | C | 97.1 | Very high | 95.8 | Very high | 7 Ų | 7 | 47.7 Ų | 47.7 | 5% | 0.047 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.2 | -42.1 | 176.5 | -65.5 | 0 | 0 | 0 | 0 | 112.3 | W234 V438 G439 Y446 | W234-C442 HydrophobicContact CD2-CB 4.36Å; W234-C442 HydrophobicContact CE3-CB 3.71Å; W234-C442 HydrophobicContact CZ3-CB 4.33Å; V438-C442 PolarHBondContact O-N 2.9Å; V438-C442 PolarHBondContact O-SG 2.53Å; G439-C442 PolarHBondContact O-N 3.48Å; C442-Y446 VanDerWaalsContact O-CB 3.24Å; C442-Y446 WeakPolarHBondContact O-CB 3.44Å; C442-Y446 PolarHBondContact O-N 3.5Å |
| 443 | I | 97.2 | Very high | 96.2 | Very high | 107 Ų | 107 | 41 Ų | 41 | 55% | 0.549 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -66.6 | -44.2 | 177.6 | -68.4 | 164.8 | 0 | 0 | 0 | 111.1 | G439 C440 V441 Y446 I447 | G439-I443 WeakPolarHBondContact O-CB 3.41Å; G439-I443 VanDerWaalsContact O-CG1 3.25Å; G439-I443 WeakPolarHBondContact O-CG1 3.13Å; G439-I443 PolarHBondContact O-N 3.33Å; C440-I443 PolarHBondContact O-N 2.62Å; V441-I443 PolarHBondContact O-N 3.35Å; I443-Y446 WeakPolarHBondContact O-CB 3.41Å; I443-Y446 PolarHBondContact O-N 3.28Å; I443-I447 HydrophobicContact CG2-CD1 4.15Å; I443-I447 WeakPolarHBondContact O-CG1 3.37Å; I443-I447 PolarHBondContact O-N 3.36Å |
| 444 | G | 96.2 | Very high | 96.5 | Very high | 31 Ų | 31 | 36 Ų | 36 | 32% | 0.32 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -60.5 | -47.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | C440 V441 Y446 I447 V448 | C440-G444 PolarHBondContact O-N 3.28Å; V441-G444 PolarHBondContact O-N 2.92Å; G444-Y446 VanDerWaalsContact C-N 3.34Å; G444-Y446 PolarHBondContact O-N 2.5Å; G444-I447 PolarHBondContact O-N 3.45Å; G444-V448 PolarHBondContact O-N 3.18Å; G444-V448 VanDerWaalsContact O-N 3.15Å |
| 445 | S | 96.3 | Very high | 96.7 | Very high | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.014 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -68 | -31.6 | 176.9 | -58 | 0 | 0 | 0 | 0 | 112.8 | V441 V448 G449 | V441-S445 WeakPolarHBondContact O-CB 3.11Å; V441-S445 PolarHBondContact O-N 2.98Å; V441-S445 PolarHBondContact O-OG 3Å; S445-V448 PolarHBondContact O-N 2.99Å; S445-G449 PolarHBondContact O-N 3.49Å |
| 446 | Y | 97.6 | Very high | 96.9 | Very high | 50 Ų | 50 | 35.2 Ų | 35.2 | 20% | 0.196 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61 | -46.5 | 170.5 | 169.9 | -100.7 | 0 | 0 | 0 | 111.5 | L230 L231 W234 C442 I443 G444 V448 G449 L450 | L230-Y446 HydrophobicContact CB-CD2 4.44Å; L230-Y446 HydrophobicContact CB-CE2 4.22Å; L230-Y446 HydrophobicContact CD2-CD2 3.81Å; L230-Y446 HydrophobicContact CD2-CE2 3.93Å; L230-Y446 HydrophobicContact CG-CD2 3.77Å; L230-Y446 HydrophobicContact CG-CE2 4Å; L231-Y446 HydrophobicContact CB-CD2 4.45Å; L231-Y446 HydrophobicContact CB-CE2 3.78Å; L231-Y446 HydrophobicContact CD1-CE2 4.34Å; W234-Y446 AromaticContact CD1-CD2 3.93Å; C442-Y446 VanDerWaalsContact O-CB 3.24Å; C442-Y446 WeakPolarHBondContact O-CB 3.44Å; C442-Y446 PolarHBondContact O-N 3.5Å; I443-Y446 WeakPolarHBondContact O-CB 3.41Å; I443-Y446 PolarHBondContact O-N 3.28Å; G444-Y446 VanDerWaalsContact C-N 3.34Å; G444-Y446 PolarHBondContact O-N 2.5Å; Y446-V448 VanDerWaalsContact C-N 3.33Å; Y446-V448 PolarHBondContact O-N 3.28Å; Y446-G449 CarbonylContact O-C 3.56Å; Y446-G449 WeakPolarHBondContact O-CA 3.05Å; Y446-G449 PolarHBondContact O-N 3.28Å; Y446-G449 VanDerWaalsContact O-N 3.09Å; Y446-L450 HydrophobicContact CD1-CD1 4.37Å; Y446-L450 HydrophobicContact CD1-CG 4.48Å; Y446-L450 HydrophobicContact CE1-CD1 3.8Å; Y446-L450 HydrophobicContact CE1-CD2 4.27Å; Y446-L450 HydrophobicContact CE1-CG 4.07Å; Y446-L450 HydrophobicContact CE2-CD2 4.1Å; Y446-L450 HydrophobicContact CE2-CG 4.46Å; Y446-L450 WeakPolarHBondContact O-CG 3.44Å; Y446-L450 PolarHBondContact O-N 2.85Å |
| 447 | I | 97.6 | Very high | 97 | Very high | 107 Ų | 107 | 30.9 Ų | 30.9 | 55% | 0.549 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -61.6 | -41.9 | 178.6 | -67.1 | 164.4 | 0 | 0 | 0 | 111 | I443 G444 L450 | I443-I447 HydrophobicContact CG2-CD1 4.15Å; I443-I447 WeakPolarHBondContact O-CG1 3.37Å; I443-I447 PolarHBondContact O-N 3.36Å; G444-I447 PolarHBondContact O-N 3.45Å; I447-L450 WeakPolarHBondContact O-CB 3.42Å; I447-L450 PolarHBondContact O-N 3.14Å |
| 448 | V | 96.1 | Very high | 97.2 | Very high | 55 Ų | 55 | 28.4 Ų | 28.4 | 33% | 0.333 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -64.3 | -43.5 | 173.3 | 178.6 | 0 | 0 | 0 | 0 | 110.5 | F132 C136 G444 S445 Y446 L450 S451 | F132-V448 HydrophobicContact CZ-CG2 4.46Å; C136-V448 HydrophobicContact CB-CB 4.48Å; C136-V448 HydrophobicContact CB-CG1 3.89Å; G444-V448 PolarHBondContact O-N 3.18Å; G444-V448 VanDerWaalsContact O-N 3.15Å; S445-V448 PolarHBondContact O-N 2.99Å; Y446-V448 VanDerWaalsContact C-N 3.33Å; Y446-V448 PolarHBondContact O-N 3.28Å; V448-L450 PolarHBondContact O-N 2.89Å; V448-S451 WeakPolarHBondContact O-CB 3.45Å; V448-S451 PolarHBondContact O-N 3.09Å; V448-S451 VanDerWaalsContact O-N 3.12Å; V448-S451 PolarHBondContact O-OG 2.65Å |
| 449 | G | 97.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.5 | -31.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | S445 Y446 S451 M452 | S445-G449 PolarHBondContact O-N 3.49Å; Y446-G449 CarbonylContact O-C 3.56Å; Y446-G449 WeakPolarHBondContact O-CA 3.05Å; Y446-G449 PolarHBondContact O-N 3.28Å; Y446-G449 VanDerWaalsContact O-N 3.09Å; G449-S451 PolarHBondContact O-N 3.49Å; G449-M452 PolarHBondContact O-N 2.71Å |
| 450 | L | 98.2 | Very high | 97.3 | Very high | 35 Ų | 35 | 29 Ų | 29 | 18% | 0.183 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -57.2 | -31.1 | 175.7 | -73.8 | 178.3 | 0 | 0 | 0 | 112.9 | I222 A227 L230 Y446 I447 V448 M452 V453 | I222-L450 HydrophobicContact CG2-CD2 4.33Å; A227-L450 HydrophobicContact CB-CD2 3.92Å; L230-L450 HydrophobicContact CD2-CD2 4.3Å; Y446-L450 HydrophobicContact CD1-CD1 4.37Å; Y446-L450 HydrophobicContact CD1-CG 4.48Å; Y446-L450 HydrophobicContact CE1-CD1 3.8Å; Y446-L450 HydrophobicContact CE1-CD2 4.27Å; Y446-L450 HydrophobicContact CE1-CG 4.07Å; Y446-L450 HydrophobicContact CE2-CD2 4.1Å; Y446-L450 HydrophobicContact CE2-CG 4.46Å; Y446-L450 WeakPolarHBondContact O-CG 3.44Å; Y446-L450 PolarHBondContact O-N 2.85Å; I447-L450 WeakPolarHBondContact O-CB 3.42Å; I447-L450 PolarHBondContact O-N 3.14Å; V448-L450 PolarHBondContact O-N 2.89Å; L450-M452 PolarHBondContact O-N 2.82Å; L450-V453 HydrophobicContact CD2-CG2 4.02Å; L450-V453 WeakPolarHBondContact O-CG2 3.38Å; L450-V453 PolarHBondContact O-N 3.38Å |
| 451 | S | 96.9 | Very high | 97.4 | Very high | 45 Ų | 45 | 25.6 Ų | 25.6 | 32% | 0.315 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -26.6 | 176.3 | 69.7 | 0 | 0 | 0 | 0 | 113.2 | V448 G449 T454 G457 | V448-S451 WeakPolarHBondContact O-CB 3.45Å; V448-S451 PolarHBondContact O-N 3.09Å; V448-S451 VanDerWaalsContact O-N 3.12Å; V448-S451 PolarHBondContact O-OG 2.65Å; G449-S451 PolarHBondContact O-N 3.49Å; S451-T454 PolarHBondContact O-OG1 3.09Å; S451-T454 VanDerWaalsContact O-OG1 3.14Å; S451-G457 WeakPolarHBondContact O-CA 3.37Å |
| 452 | M | 98 | Very high | 97.4 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | -3.3 | -176 | -69.2 | 175.2 | -76.9 | 0 | 0 | 114.2 | C136 Y137 V140 G449 L450 G457 V460 F461 L464 | C136-M452 HydrophobicContact CB-CE 4.29Å; C136-M452 WeakPolarHBondContact O-CE 3.34Å; Y137-M452 VanDerWaalsContact CB-SD 3.56Å; V140-M452 HydrophobicContact CG1-CB 4.22Å; V140-M452 HydrophobicContact CG2-CB 3.67Å; V140-M452 HydrophobicContact CG2-CE 3.78Å; V140-M452 HydrophobicContact CG2-CG 4.42Å; V140-M452 HydrophobicContact CG2-SD 3.95Å; G449-M452 PolarHBondContact O-N 2.71Å; L450-M452 PolarHBondContact O-N 2.82Å; M452-G457 CarbonylContact O-C 3.47Å; M452-G457 WeakPolarHBondContact O-CA 3.34Å; M452-V460 HydrophobicContact CG-CB 4.09Å; M452-V460 HydrophobicContact CG-CG1 3.82Å; M452-F461 HydrophobicContact CB-CB 4.39Å; M452-F461 HydrophobicContact CG-CB 4.16Å; M452-F461 HydrophobicContact SD-CB 4.19Å; M452-F461 HydrophobicContact SD-CD2 4.31Å; M452-L464 HydrophobicContact CE-CD1 3.99Å; M452-L464 HydrophobicContact CG-CD1 4.44Å; M452-L464 HydrophobicContact SD-CD1 3.57Å; M452-L464 VanDerWaalsContact SD-CD1 3.57Å |
| 453 | V | 98.4 | Very high | 97.3 | Very high | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.006 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -110.3 | 24.2 | 174.5 | -62.8 | 0 | 0 | 0 | 0 | 112.3 | V140 T143 I222 Q223 L226 L230 L450 | V140-V453 HydrophobicContact CG1-CG1 4.17Å; T143-V453 HydrophobicContact CG2-CG1 4.25Å; I222-V453 HydrophobicContact CG2-CG2 4.31Å; Q223-V453 WeakPolarHBondContact CB-O 3.1Å; Q223-V453 PolarHBondContact N-O 2.85Å; L226-V453 HydrophobicContact CB-CB 3.89Å; L226-V453 HydrophobicContact CB-CG1 4.02Å; L226-V453 HydrophobicContact CD1-CB 4.42Å; L230-V453 HydrophobicContact CD2-CG1 4.39Å; L230-V453 HydrophobicContact CD2-CG2 4.29Å; L450-V453 HydrophobicContact CD2-CG2 4.02Å; L450-V453 WeakPolarHBondContact O-CG2 3.38Å; L450-V453 PolarHBondContact O-N 3.38Å |
| 454 | T | 98.4 | Very high | 97.2 | Very high | 14 Ų | 14 | 21.8 Ų | 21.8 | 9% | 0.086 | 13% | 0.125 | C | C | . | . | B | Isolated β-bridge | trans | -91.2 | 171.3 | 170.6 | 60.3 | 0 | 0 | 0 | 0 | 111.2 | I219 T221 I222 S451 G456 G457 | I219-T454 WeakPolarHBondContact CD1-OG1 3.36Å; I219-T454 HydrophobicContact CG1-CG2 4.17Å; I219-T454 WeakPolarHBondContact CG1-OG1 3.33Å; I219-T454 VanDerWaalsContact O-CB 3.31Å; I219-T454 WeakPolarHBondContact O-CB 3.27Å; I219-T454 PolarHBondContact O-OG1 3.44Å; T221-T454 CarbonylContact O-C 3.42Å; T221-T454 WeakPolarHBondContact O-CA 3.35Å; T221-T454 WeakPolarHBondContact O-CB 3.33Å; I222-T454 HydrophobicContact CG1-CG2 3.85Å; S451-T454 PolarHBondContact O-OG1 3.09Å; S451-T454 VanDerWaalsContact O-OG1 3.14Å; T454-G456 PolarHBondContact O-N 3.26Å; T454-G457 WeakPolarHBondContact O-CA 3.33Å; T454-G457 PolarHBondContact O-N 3.49Å; T454-G457 WeakPolarHBondContact OG1-CA 3.19Å; T454-G457 PolarHBondContact OG1-N 2.85Å |
| 455 | N | 98.4 | Very high | 97.1 | Very high | 31 Ų | 31 | 22.6 Ų | 22.6 | 17% | 0.166 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -36.8 | 172 | -61.4 | 80.3 | 0 | 0 | 0 | 112.3 | S211 I212 S213 I219 T221 Q223 | S211-N455 WeakPolarHBondContact CB-ND2 3.25Å; S211-N455 VanDerWaalsContact O-CB 3.32Å; S211-N455 WeakPolarHBondContact O-CB 3.32Å; S211-N455 PolarHBondContact O-ND2 3.42Å; I212-N455 CarbonylContact C-O 3.6Å; I212-N455 WeakPolarHBondContact CA-O 3.33Å; S213-N455 PolarHBondContact N-O 3.14Å; S213-N455 PolarHBondContact OG-O 3.08Å; I219-N455 PolarHBondContact O-N 3.02Å; T221-N455 PolarHBondContact N-OD1 2.64Å; T221-N455 PolarHBondContact O-N 3.04Å; T221-N455 VanDerWaalsContact O-N 3.08Å; T221-N455 PolarHBondContact O-OD1 3.46Å; T221-N455 PolarHBondContact OG1-OD1 3.37Å; Q223-N455 PolarHBondContact NE2-ND2 3.41Å; Q223-N455 PolarHBondContact NE2-OD1 3.08Å |
| 456 | G | 98 | Very high | 96.9 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | 4.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | S213 I219 T454 M458 Y459 | S213-G456 WeakPolarHBondContact OG-CA 3.39Å; S213-G456 PolarHBondContact OG-N 3.35Å; I219-G456 PolarHBondContact O-N 3.49Å; T454-G456 PolarHBondContact O-N 3.26Å; G456-M458 VanDerWaalsContact C-N 3.3Å; G456-M458 PolarHBondContact O-N 3.01Å; G456-Y459 WeakPolarHBondContact O-CB 3.18Å; G456-Y459 WeakPolarHBondContact O-CD2 3.48Å; G456-Y459 PolarHBondContact O-N 3.32Å; G456-Y459 VanDerWaalsContact O-N 3.1Å |
| 457 | G | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -64.3 | -31.9 | -170.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | S451 M452 T454 Y459 V460 F461 | S451-G457 WeakPolarHBondContact O-CA 3.37Å; M452-G457 CarbonylContact O-C 3.47Å; M452-G457 WeakPolarHBondContact O-CA 3.34Å; T454-G457 WeakPolarHBondContact O-CA 3.33Å; T454-G457 PolarHBondContact O-N 3.49Å; T454-G457 WeakPolarHBondContact OG1-CA 3.19Å; T454-G457 PolarHBondContact OG1-N 2.85Å; G457-Y459 PolarHBondContact O-N 2.82Å; G457-V460 PolarHBondContact O-N 2.85Å; G457-V460 VanDerWaalsContact O-N 3.15Å; G457-F461 WeakPolarHBondContact O-CB 3.37Å; G457-F461 PolarHBondContact O-N 2.97Å |
| 458 | M | 97.5 | Very high | 96.3 | Very high | 4 Ų | 4 | 18.1 Ų | 18.1 | 2% | 0.02 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -59.8 | -35.1 | 175.1 | -174.3 | 56.8 | -175.9 | 0 | 0 | 112.1 | W144 W205 L210 I212 P373 G456 F461 Q462 Y537 | W144-M458 HydrophobicContact CH2-SD 3.7Å; W144-M458 HydrophobicContact CZ2-SD 4Å; W205-M458 HydrophobicContact CZ2-SD 4.43Å; L210-M458 HydrophobicContact CD1-CB 4.08Å; L210-M458 HydrophobicContact CD1-CG 4.09Å; L210-M458 HydrophobicContact CD1-SD 4.49Å; I212-M458 HydrophobicContact CD1-CB 4.06Å; I212-M458 HydrophobicContact CD1-CG 4.21Å; P373-M458 HydrophobicContact CB-CE 4.1Å; P373-M458 HydrophobicContact CG-CE 4.12Å; G456-M458 VanDerWaalsContact C-N 3.3Å; G456-M458 PolarHBondContact O-N 3.01Å; M458-F461 HydrophobicContact SD-CD1 4.18Å; M458-Q462 HydrophobicContact CE-CG 4.1Å; M458-Q462 VanDerWaalsContact CE-NE2 3.25Å; M458-Q462 WeakPolarHBondContact O-CG 3.44Å; M458-Q462 PolarHBondContact O-N 3.14Å; M458-Y537 HydrophobicContact CE-CD2 4.37Å; M458-Y537 HydrophobicContact CE-CE2 3.54Å; M458-Y537 HydrophobicContact CG-CE1 3.89Å; M458-Y537 HydrophobicContact CG-CE2 4.44Å |
| 459 | Y | 97.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -71.4 | -39.6 | 176.3 | -57.1 | -74.7 | 0 | 0 | 0 | 112.2 | I212 S213 D214 G215 I216 G456 G457 F461 Q462 L463 Y537 R539 Y546 F548 | I212-Y459 HydrophobicContact CD1-CE2 4.41Å; I212-Y459 HydrophobicContact CG1-CE2 4.13Å; S213-Y459 PolarHBondContact O-OH 3.27Å; D214-Y459 PolarHBondContact O-OH 3.15Å; G215-Y459 VanDerWaalsContact CA-CE2 3.44Å; I216-Y459 HydrophobicContact CB-CG 4.24Å; G456-Y459 WeakPolarHBondContact O-CB 3.18Å; G456-Y459 WeakPolarHBondContact O-CD2 3.48Å; G456-Y459 PolarHBondContact O-N 3.32Å; G456-Y459 VanDerWaalsContact O-N 3.1Å; G457-Y459 PolarHBondContact O-N 2.82Å; Y459-F461 VanDerWaalsContact C-N 3.33Å; Y459-Q462 PolarHBondContact O-N 3.23Å; Y459-L463 WeakPolarHBondContact O-CB 3.33Å; Y459-L463 PolarHBondContact O-N 3.39Å; Y459-Y537 HydrophobicContact CD1-CD1 4.14Å; Y459-Y537 AromaticContact CE1-CD1 3.75Å; Y459-Y537 HydrophobicContact CE1-CD1 3.75Å; Y459-Y537 HydrophobicContact CE1-CE1 4.38Å; Y459-R539 PolarHBondContact OH-NH1 2.59Å; Y459-R539 PolarHBondContact OH-NH2 3.39Å; Y459-Y546 AromaticContact CD1-CD1 3.67Å; Y459-Y546 HydrophobicContact CD1-CD1 3.67Å; Y459-Y546 AromaticContact CD1-CE1 3.58Å; Y459-Y546 HydrophobicContact CD1-CE1 3.58Å; Y459-Y546 HydrophobicContact CD1-CG 4.3Å; Y459-Y546 AromaticContact CE1-CD1 3.52Å; Y459-Y546 HydrophobicContact CE1-CD1 3.52Å; Y459-Y546 HydrophobicContact CE1-CD2 4.01Å; Y459-Y546 AromaticContact CE1-CE1 3.74Å; Y459-Y546 HydrophobicContact CE1-CE1 3.74Å; Y459-Y546 HydrophobicContact CE1-CE2 4.2Å; Y459-Y546 AromaticContact CE1-CG 3.67Å; Y459-Y546 HydrophobicContact CE1-CG 3.67Å; Y459-Y546 HydrophobicContact CG-CE1 4.48Å; Y459-F548 HydrophobicContact CD1-CE1 4.42Å; Y459-F548 HydrophobicContact CD1-CZ 4.08Å; Y459-F548 WeakPolarHBondContact O-CE1 3.45Å |
| 460 | V | 97.4 | Very high | 93.9 | Very high | 28 Ų | 28 | 16.2 Ų | 16.2 | 17% | 0.17 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -63.6 | -42.9 | 175.4 | -178.2 | 0 | 0 | 0 | 0 | 110.3 | I216 I219 M452 G457 L463 L464 | I216-V460 HydrophobicContact CD1-CG2 4.49Å; I216-V460 HydrophobicContact CG1-CG2 4.34Å; I219-V460 HydrophobicContact CD1-CG2 3.86Å; M452-V460 HydrophobicContact CG-CB 4.09Å; M452-V460 HydrophobicContact CG-CG1 3.82Å; G457-V460 PolarHBondContact O-N 2.85Å; G457-V460 VanDerWaalsContact O-N 3.15Å; V460-L463 WeakPolarHBondContact O-CB 3.38Å; V460-L463 PolarHBondContact O-N 2.89Å; V460-L464 HydrophobicContact CG1-CD1 4.36Å; V460-L464 PolarHBondContact O-N 3.25Å |
| 461 | F | 97.4 | Very high | 93.4 | Very high | 2 Ų | 2 | 16.5 Ų | 16.5 | 1% | 0.009 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -56.7 | -51.4 | 174.6 | 171.7 | -86.2 | 0 | 0 | 0 | 111.4 | Y137 V140 I141 W144 P373 M452 G457 M458 Y459 L463 L464 D465 | Y137-F461 HydrophobicContact CD2-CD2 4.29Å; Y137-F461 AromaticContact CD2-CE2 3.7Å; Y137-F461 HydrophobicContact CD2-CE2 3.7Å; Y137-F461 HydrophobicContact CD2-CZ 4.09Å; Y137-F461 HydrophobicContact CG-CE2 4.49Å; Y137-F461 WeakPolarHBondContact O-CE2 3.02Å; V140-F461 HydrophobicContact CB-CD2 4.07Å; V140-F461 HydrophobicContact CB-CE2 4.35Å; V140-F461 HydrophobicContact CG1-CD2 4.29Å; I141-F461 HydrophobicContact CD1-CE2 4.12Å; I141-F461 HydrophobicContact CD1-CZ 3.86Å; I141-F461 HydrophobicContact CG1-CE2 3.67Å; I141-F461 HydrophobicContact CG1-CZ 3.77Å; W144-F461 HydrophobicContact CH2-CB 4.47Å; W144-F461 AromaticContact CH2-CD1 3.87Å; W144-F461 HydrophobicContact CH2-CD1 3.87Å; W144-F461 AromaticContact CH2-CD2 3.74Å; W144-F461 HydrophobicContact CH2-CD2 3.74Å; W144-F461 HydrophobicContact CH2-CE1 4.03Å; W144-F461 AromaticContact CH2-CE2 3.86Å; W144-F461 HydrophobicContact CH2-CE2 3.86Å; W144-F461 AromaticContact CH2-CG 3.75Å; W144-F461 HydrophobicContact CH2-CG 3.75Å; W144-F461 HydrophobicContact CH2-CZ 4.02Å; W144-F461 HydrophobicContact CZ3-CD2 4.32Å; W144-F461 HydrophobicContact CZ3-CE1 4.2Å; W144-F461 AromaticContact CZ3-CE2 3.96Å; W144-F461 HydrophobicContact CZ3-CE2 3.96Å; W144-F461 AromaticContact CZ3-CZ 3.91Å; W144-F461 HydrophobicContact CZ3-CZ 3.91Å; P373-F461 HydrophobicContact CG-CE1 3.96Å; P373-F461 HydrophobicContact CG-CZ 4.35Å; M452-F461 HydrophobicContact CB-CB 4.39Å; M452-F461 HydrophobicContact CG-CB 4.16Å; M452-F461 HydrophobicContact SD-CB 4.19Å; M452-F461 HydrophobicContact SD-CD2 4.31Å; G457-F461 WeakPolarHBondContact O-CB 3.37Å; G457-F461 PolarHBondContact O-N 2.97Å; M458-F461 HydrophobicContact SD-CD1 4.18Å; Y459-F461 VanDerWaalsContact C-N 3.33Å; F461-L463 VanDerWaalsContact C-N 3.28Å; F461-L463 PolarHBondContact O-N 2.79Å; F461-L464 PolarHBondContact O-N 3.29Å; F461-D465 HydrophobicContact CE1-CB 4.46Å; F461-D465 PolarHBondContact O-N 3.48Å |
| 462 | Q | 95.8 | Very high | 93 | Very high | 27 Ų | 27 | 15 Ų | 15 | 13% | 0.126 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -61.9 | -36.9 | 179.7 | -68.9 | -71.5 | 17 | 0 | 0 | 112 | M458 Y459 Y466 L535 Y537 F548 | M458-Q462 HydrophobicContact CE-CG 4.1Å; M458-Q462 VanDerWaalsContact CE-NE2 3.25Å; M458-Q462 WeakPolarHBondContact O-CG 3.44Å; M458-Q462 PolarHBondContact O-N 3.14Å; Y459-Q462 PolarHBondContact O-N 3.23Å; Q462-Y466 VanDerWaalsContact O-CB 3.23Å; Q462-Y466 WeakPolarHBondContact O-CB 3.12Å; Q462-Y466 PolarHBondContact O-N 3.35Å; Q462-Y466 VanDerWaalsContact O-N 3.08Å; Q462-L535 HydrophobicContact CB-CD2 4.38Å; Q462-Y537 HydrophobicContact CG-CD2 4.09Å; Q462-Y537 HydrophobicContact CG-CG 4.3Å; Q462-F548 HydrophobicContact CB-CZ 4Å |
| 463 | L | 95.6 | Very high | 92.9 | Very high | 9 Ų | 9 | 15.1 Ų | 15.1 | 5% | 0.047 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -63.8 | -45.5 | 176.6 | -169.6 | 73.1 | 0 | 0 | 0 | 111.5 | I216 Y459 V460 F461 Y467 L535 F548 A552 V555 | I216-L463 HydrophobicContact CD1-CD2 4.34Å; Y459-L463 WeakPolarHBondContact O-CB 3.33Å; Y459-L463 PolarHBondContact O-N 3.39Å; V460-L463 WeakPolarHBondContact O-CB 3.38Å; V460-L463 PolarHBondContact O-N 2.89Å; F461-L463 VanDerWaalsContact C-N 3.28Å; F461-L463 PolarHBondContact O-N 2.79Å; L463-Y467 HydrophobicContact CD1-CD2 3.7Å; L463-Y467 HydrophobicContact CD1-CE2 3.66Å; L463-Y467 HydrophobicContact CG-CD2 4.29Å; L463-Y467 WeakPolarHBondContact O-CD2 3.36Å; L463-Y467 PolarHBondContact O-N 3.21Å; L463-L535 HydrophobicContact CB-CD2 4.49Å; L463-L535 HydrophobicContact CD1-CD2 4.16Å; L463-F548 HydrophobicContact CB-CE1 4.46Å; L463-F548 HydrophobicContact CD1-CD1 4.43Å; L463-A552 VanDerWaalsContact CD1-O 3.31Å; L463-A552 WeakPolarHBondContact CD1-O 3.29Å; L463-V555 HydrophobicContact CD2-CB 4.4Å; L463-V555 HydrophobicContact CD2-CG1 4.02Å |
| 464 | L | 94.6 | Very high | 92.8 | Very high | 15 Ų | 15 | 15 Ų | 15 | 8% | 0.079 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -66.2 | -51.7 | 178 | -78.9 | 166.7 | 0 | 0 | 0 | 111.7 | F133 Y137 M452 V460 F461 Y466 Y467 S468 I559 | F133-L464 HydrophobicContact CD1-CD2 4.28Å; Y137-L464 HydrophobicContact CD1-CB 4.29Å; Y137-L464 HydrophobicContact CG-CB 4.48Å; M452-L464 HydrophobicContact CE-CD1 3.99Å; M452-L464 HydrophobicContact CG-CD1 4.44Å; M452-L464 HydrophobicContact SD-CD1 3.57Å; M452-L464 VanDerWaalsContact SD-CD1 3.57Å; V460-L464 HydrophobicContact CG1-CD1 4.36Å; V460-L464 PolarHBondContact O-N 3.25Å; F461-L464 PolarHBondContact O-N 3.29Å; L464-Y466 VanDerWaalsContact C-N 3.29Å; L464-Y466 PolarHBondContact O-N 3.47Å; L464-Y467 PolarHBondContact O-N 3.28Å; L464-S468 VanDerWaalsContact O-CB 3.23Å; L464-S468 WeakPolarHBondContact O-CB 3.38Å; L464-S468 PolarHBondContact O-N 3.37Å; L464-S468 PolarHBondContact O-OG 3.44Å; L464-I559 HydrophobicContact CD2-CD1 3.96Å; L464-I559 HydrophobicContact CD2-CG2 4.34Å |
| 465 | D | 92.9 | Very high | 92.6 | Very high | 49 Ų | 49 | 16 Ų | 16 | 26% | 0.262 | 8% | 0.078 | S | C | . | . | H | α-helix | trans | -57 | -41.9 | -178.7 | -177.9 | 50.5 | 0 | 0 | 0 | 112.1 | Y137 F461 | Y137-D465 HydrophobicContact CD2-CB 4Å; Y137-D465 HydrophobicContact CE2-CB 3.72Å; Y137-D465 WeakPolarHBondContact CE2-OD1 3.46Å; Y137-D465 PolarHBondContact OH-OD1 3.2Å; F461-D465 HydrophobicContact CE1-CB 4.46Å; F461-D465 PolarHBondContact O-N 3.48Å |
| 466 | Y | 93.5 | Very high | 92.5 | Very high | 55 Ų | 55 | 14.5 Ų | 14.5 | 22% | 0.216 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -70.5 | -46.2 | -177.9 | -168.3 | -103.5 | 0 | 0 | 0 | 113.2 | Q462 L464 S470 R471 Y532 E533 L535 | Q462-Y466 VanDerWaalsContact O-CB 3.23Å; Q462-Y466 WeakPolarHBondContact O-CB 3.12Å; Q462-Y466 PolarHBondContact O-N 3.35Å; Q462-Y466 VanDerWaalsContact O-N 3.08Å; L464-Y466 VanDerWaalsContact C-N 3.29Å; L464-Y466 PolarHBondContact O-N 3.47Å; Y466-S470 PolarHBondContact O-OG 2.75Å; Y466-R471 PolarHBondContact OH-NH2 2.92Å; Y466-Y532 HydrophobicContact CE1-CE2 4.05Å; Y466-E533 PolarHBondContact OH-O 3.01Å; Y466-L535 HydrophobicContact CD1-CB 3.82Å; Y466-L535 HydrophobicContact CD1-CD1 4.29Å; Y466-L535 HydrophobicContact CD1-CG 4.44Å; Y466-L535 HydrophobicContact CD2-CD1 3.87Å; Y466-L535 HydrophobicContact CE1-CB 4.1Å; Y466-L535 HydrophobicContact CG-CB 4.16Å; Y466-L535 HydrophobicContact CG-CD1 3.72Å; Y466-L535 HydrophobicContact CG-CD2 4.43Å; Y466-L535 HydrophobicContact CG-CG 4.3Å |
| 467 | Y | 93.3 | Very high | 92.5 | Very high | 9 Ų | 9 | 14.5 Ų | 14.5 | 4% | 0.035 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -94 | -26.7 | -169.4 | -74.8 | -78.9 | 0 | 0 | 0 | 114.8 | L463 L464 Y532 L535 G556 W557 A560 | L463-Y467 HydrophobicContact CD1-CD2 3.7Å; L463-Y467 HydrophobicContact CD1-CE2 3.66Å; L463-Y467 HydrophobicContact CG-CD2 4.29Å; L463-Y467 WeakPolarHBondContact O-CD2 3.36Å; L463-Y467 PolarHBondContact O-N 3.21Å; L464-Y467 PolarHBondContact O-N 3.28Å; Y467-Y532 PolarHBondContact OH-OH 2.74Å; Y467-Y532 VanDerWaalsContact OH-OH 3.1Å; Y467-L535 HydrophobicContact CE2-CB 4.14Å; Y467-L535 HydrophobicContact CE2-CD2 4.18Å; Y467-G556 WeakPolarHBondContact CB-O 3.43Å; Y467-G556 VanDerWaalsContact CG-CA 3.49Å; Y467-W557 HydrophobicContact CD1-CD2 4.44Å; Y467-W557 HydrophobicContact CE1-CD2 4.08Å; Y467-W557 AromaticContact CE1-CE2 3.89Å; Y467-W557 HydrophobicContact CE1-CG 4.2Å; Y467-W557 HydrophobicContact CE1-CZ2 4.4Å; Y467-W557 AromaticContact CE1-NE1 3.84Å; Y467-A560 WeakPolarHBondContact O-CB 3.19Å |
| 468 | S | 87.7 | Confident | 92.5 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -77.2 | -29.4 | -170.1 | 74.9 | 0 | 0 | 0 | 0 | 114.6 | L464 | L464-S468 VanDerWaalsContact O-CB 3.23Å; L464-S468 WeakPolarHBondContact O-CB 3.38Å; L464-S468 PolarHBondContact O-N 3.37Å; L464-S468 PolarHBondContact O-OG 3.44Å |
| 469 | G | 72.3 | Confident | 92.5 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.1 | -57.5 | -171.3 | 0 | 0 | 0 | 0 | 0 | 115 | R471 I472 I473 | G469-R471 PolarHBondContact O-N 3.02Å; G469-I472 PolarHBondContact O-N 3.31Å; G469-I473 WeakPolarHBondContact O-CD1 3.47Å; G469-I473 WeakPolarHBondContact O-CG1 3.19Å; G469-I473 WeakPolarHBondContact O-CG2 3.41Å; G469-I473 PolarHBondContact O-N 2.89Å; G469-I473 VanDerWaalsContact O-N 3.1Å |
| 470 | S | 72.6 | Confident | 92.5 | Very high | 16 Ų | 16 | 17.2 Ų | 17.2 | 11% | 0.112 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | -47.3 | -150.4 | 59.9 | 0 | 0 | 0 | 0 | 117.3 | F306 Y466 I473 | F306-S470 VanDerWaalsContact CE2-CB 3.41Å; F306-S470 VanDerWaalsContact CZ-CB 3.46Å; Y466-S470 PolarHBondContact O-OG 2.75Å; S470-I473 WeakPolarHBondContact O-CG1 3.45Å |
| 471 | R | 86.5 | Confident | 92.6 | Very high | 40 Ų | 40 | 15.9 Ų | 15.9 | 15% | 0.151 | 8% | 0.077 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | -27.4 | -175.5 | -59.9 | 174.4 | -165.4 | -77.2 | 6.7 | 111.9 | Y466 G469 L474 S528 | Y466-R471 PolarHBondContact OH-NH2 2.92Å; G469-R471 PolarHBondContact O-N 3.02Å; R471-L474 WeakPolarHBondContact O-CB 3.49Å; R471-L474 PolarHBondContact O-N 3.15Å; R471-S528 VanDerWaalsContact NH1-C 3.29Å; R471-S528 PolarHBondContact NH1-O 3.22Å |
| 472 | I | 90 | Very high | 92.6 | Very high | 14 Ų | 14 | 18.7 Ų | 18.7 | 7% | 0.072 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -74.4 | -37.4 | -175.1 | -60 | -53.7 | 0 | 0 | 0 | 111.6 | I130 G469 L474 I475 V476 A560 V564 | I130-I472 HydrophobicContact CD1-CG2 3.85Å; I130-I472 HydrophobicContact CG1-CG2 4.37Å; G469-I472 PolarHBondContact O-N 3.31Å; I472-L474 PolarHBondContact O-N 3.39Å; I472-I475 HydrophobicContact CD1-CD1 4.43Å; I472-I475 WeakPolarHBondContact O-CB 3.33Å; I472-I475 PolarHBondContact O-N 3.49Å; I472-I475 VanDerWaalsContact O-N 3.08Å; I472-V476 PolarHBondContact O-N 3.08Å; I472-A560 HydrophobicContact CD1-CB 3.98Å; I472-A560 HydrophobicContact CG1-CB 3.9Å; I472-V564 HydrophobicContact CB-CG2 4.32Å; I472-V564 HydrophobicContact CD1-CG2 3.75Å; I472-V564 HydrophobicContact CG1-CG2 4.41Å; I472-V564 HydrophobicContact CG2-CG2 3.36Å |
| 473 | I | 94.4 | Very high | 92.7 | Very high | 3 Ų | 3 | 17.5 Ų | 17.5 | 2% | 0.015 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -60.5 | -26.8 | 174 | 59 | -166.6 | 0 | 0 | 0 | 113.4 | I130 F305 F306 L312 G469 S470 V476 G477 | I130-I473 HydrophobicContact CD1-CG2 4.34Å; I130-I473 HydrophobicContact CG2-CG2 4.07Å; F305-I473 HydrophobicContact CB-CD1 3.78Å; F305-I473 HydrophobicContact CB-CG1 4.11Å; F305-I473 HydrophobicContact CD1-CB 4.42Å; F305-I473 HydrophobicContact CD1-CG1 4.19Å; F306-I473 HydrophobicContact CD1-CD1 4.3Å; F306-I473 HydrophobicContact CD2-CD1 4.26Å; F306-I473 HydrophobicContact CE1-CD1 4.2Å; F306-I473 HydrophobicContact CE2-CD1 4.15Å; F306-I473 HydrophobicContact CG-CD1 4.36Å; F306-I473 HydrophobicContact CZ-CD1 4.15Å; L312-I473 HydrophobicContact CD2-CG2 4.17Å; G469-I473 WeakPolarHBondContact O-CD1 3.47Å; G469-I473 WeakPolarHBondContact O-CG1 3.19Å; G469-I473 WeakPolarHBondContact O-CG2 3.41Å; G469-I473 PolarHBondContact O-N 2.89Å; G469-I473 VanDerWaalsContact O-N 3.1Å; S470-I473 WeakPolarHBondContact O-CG1 3.45Å; I473-V476 PolarHBondContact O-N 2.99Å; I473-G477 PolarHBondContact O-N 2.83Å |
| 474 | L | 95.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -67.2 | -38.4 | 174.6 | -61.2 | 175.8 | 0 | 0 | 0 | 111.6 | T302 F305 R471 I472 V476 L478 T521 F525 | T302-L474 HydrophobicContact CG2-CD1 4.08Å; F305-L474 HydrophobicContact CD1-CD2 3.87Å; F305-L474 HydrophobicContact CD2-CD2 3.54Å; F305-L474 HydrophobicContact CE1-CD2 3.85Å; F305-L474 HydrophobicContact CE2-CD2 3.52Å; F305-L474 HydrophobicContact CG-CD2 3.73Å; F305-L474 HydrophobicContact CZ-CD2 3.7Å; R471-L474 WeakPolarHBondContact O-CB 3.49Å; R471-L474 PolarHBondContact O-N 3.15Å; I472-L474 PolarHBondContact O-N 3.39Å; L474-V476 VanDerWaalsContact C-N 3.34Å; L474-L478 VanDerWaalsContact O-CB 3.23Å; L474-L478 WeakPolarHBondContact O-CB 3.31Å; L474-L478 PolarHBondContact O-N 2.92Å; L474-T521 VanDerWaalsContact O-CG2 3.31Å; L474-T521 WeakPolarHBondContact O-CG2 3.42Å; L474-F525 HydrophobicContact CB-CB 4.2Å; L474-F525 HydrophobicContact CB-CD2 4.33Å; L474-F525 HydrophobicContact CD1-CB 4.42Å |
| 475 | I | 95.7 | Very high | 92.9 | Very high | 33 Ų | 33 | 16.5 Ų | 16.5 | 17% | 0.169 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -65.3 | -43 | 175.8 | -60.4 | 172.3 | 0 | 0 | 0 | 109.7 | I472 L478 L479 F525 V564 | I472-I475 HydrophobicContact CD1-CD1 4.43Å; I472-I475 WeakPolarHBondContact O-CB 3.33Å; I472-I475 PolarHBondContact O-N 3.49Å; I472-I475 VanDerWaalsContact O-N 3.08Å; I475-L478 PolarHBondContact O-N 3.21Å; I475-L479 HydrophobicContact CG2-CD1 4.03Å; I475-L479 VanDerWaalsContact O-CG 3.32Å; I475-L479 WeakPolarHBondContact O-CG 3.24Å; I475-L479 PolarHBondContact O-N 3.36Å; I475-F525 HydrophobicContact CD1-CD2 4.4Å; I475-F525 HydrophobicContact CD1-CE2 3.63Å; I475-F525 HydrophobicContact CD1-CZ 3.93Å; I475-F525 HydrophobicContact CG1-CD2 3.78Å; I475-F525 HydrophobicContact CG1-CE2 3.5Å; I475-F525 HydrophobicContact CG1-CG 4.48Å; I475-F525 HydrophobicContact CG1-CZ 3.99Å; I475-V564 HydrophobicContact CD1-CG1 4.41Å; I475-V564 HydrophobicContact CD1-CG2 4.06Å; I475-V564 HydrophobicContact CG2-CG1 4.35Å |
| 476 | V | 96.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -58.3 | -60.3 | 175.4 | 172.4 | 0 | 0 | 0 | 0 | 109.8 | I123 A126 C127 I130 I472 I473 L474 L478 L479 E480 | I123-V476 HydrophobicContact CG2-CG1 4.13Å; A126-V476 HydrophobicContact CB-CG2 4.34Å; C127-V476 WeakPolarHBondContact SG-CG1 3.3Å; I130-V476 HydrophobicContact CD1-CG2 3.96Å; I472-V476 PolarHBondContact O-N 3.08Å; I473-V476 PolarHBondContact O-N 2.99Å; L474-V476 VanDerWaalsContact C-N 3.34Å; V476-L478 VanDerWaalsContact C-N 3.26Å; V476-L478 PolarHBondContact O-N 3.45Å; V476-L479 CarbonylContact O-C 3.04Å; V476-L479 WeakPolarHBondContact O-CA 3.32Å; V476-L479 PolarHBondContact O-N 3.15Å; V476-E480 HydrophobicContact CG1-CG 4.14Å; V476-E480 WeakPolarHBondContact O-CG 3.45Å; V476-E480 PolarHBondContact O-N 3.41Å |
| 477 | G | 96.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -60 | -32.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | L95 I473 S481 | L95-G477 WeakPolarHBondContact CD2-O 3.42Å; I473-G477 PolarHBondContact O-N 2.83Å; G477-S481 PolarHBondContact O-N 3.04Å; G477-S481 VanDerWaalsContact O-N 3.14Å; G477-S481 PolarHBondContact O-OG 3.21Å |
| 478 | L | 97.9 | Very high | 93.5 | Very high | 21 Ų | 21 | 21.3 Ų | 21.3 | 11% | 0.11 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -60.9 | -50.4 | 170.7 | 174.4 | 61.2 | 0 | 0 | 0 | 111.3 | L474 I475 V476 E480 S481 L482 P518 T521 F522 | L474-L478 VanDerWaalsContact O-CB 3.23Å; L474-L478 WeakPolarHBondContact O-CB 3.31Å; L474-L478 PolarHBondContact O-N 2.92Å; I475-L478 PolarHBondContact O-N 3.21Å; V476-L478 VanDerWaalsContact C-N 3.26Å; V476-L478 PolarHBondContact O-N 3.45Å; L478-E480 VanDerWaalsContact C-N 3.34Å; L478-S481 PolarHBondContact O-OG 2.98Å; L478-L482 HydrophobicContact CD1-CD1 3.77Å; L478-L482 HydrophobicContact CD1-CG 4.09Å; L478-L482 HydrophobicContact CG-CD1 3.95Å; L478-L482 WeakPolarHBondContact O-CB 3.27Å; L478-L482 WeakPolarHBondContact O-CG 3.23Å; L478-L482 PolarHBondContact O-N 2.92Å; L478-P518 HydrophobicContact CD1-CB 4.14Å; L478-P518 VanDerWaalsContact CD1-O 3.31Å; L478-P518 WeakPolarHBondContact CD1-O 3.45Å; L478-T521 HydrophobicContact CB-CG2 3.96Å; L478-F522 HydrophobicContact CD1-CB 3.96Å; L478-F522 HydrophobicContact CD2-CB 4.19Å; L478-F522 HydrophobicContact CD2-CD2 3.77Å; L478-F522 HydrophobicContact CD2-CG 4.45Å |
| 479 | L | 98.1 | Very high | 93.9 | Very high | 37 Ų | 37 | 22.1 Ų | 22.1 | 19% | 0.194 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -66.7 | -36.6 | 179.5 | -69.8 | 173.1 | 0 | 0 | 0 | 111.9 | I123 I475 V476 L482 V483 I567 | I123-L479 HydrophobicContact CD1-CB 3.83Å; I123-L479 HydrophobicContact CG1-CB 4.39Å; I475-L479 HydrophobicContact CG2-CD1 4.03Å; I475-L479 VanDerWaalsContact O-CG 3.32Å; I475-L479 WeakPolarHBondContact O-CG 3.24Å; I475-L479 PolarHBondContact O-N 3.36Å; V476-L479 CarbonylContact O-C 3.04Å; V476-L479 WeakPolarHBondContact O-CA 3.32Å; V476-L479 PolarHBondContact O-N 3.15Å; L479-L482 PolarHBondContact O-N 2.99Å; L479-V483 VanDerWaalsContact O-CB 3.26Å; L479-V483 WeakPolarHBondContact O-CB 3.32Å; L479-V483 WeakPolarHBondContact O-CG2 3.48Å; L479-V483 PolarHBondContact O-N 3.22Å; L479-I567 HydrophobicContact CD1-CD1 3.48Å; L479-I567 VanDerWaalsContact CD1-CD1 3.48Å; L479-I567 HydrophobicContact CD1-CG2 4.12Å |
| 480 | E | 98 | Very high | 95 | Very high | 4 Ų | 4 | 25.5 Ų | 25.5 | 2% | 0.019 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -59.8 | -50.7 | 177.6 | -64.5 | -169.8 | 151.4 | 0 | 0 | 111.6 | L98 E99 W114 I123 V476 L478 I484 | L98-E480 HydrophobicContact CD2-CB 4.4Å; E99-E480 WeakPolarHBondContact CG-OE2 3.09Å; W114-E480 HydrophobicContact CH2-CB 4.13Å; W114-E480 HydrophobicContact CH2-CG 4Å; W114-E480 HydrophobicContact CZ2-CB 4.22Å; W114-E480 HydrophobicContact CZ2-CG 3.64Å; I123-E480 HydrophobicContact CG2-CG 3.91Å; V476-E480 HydrophobicContact CG1-CG 4.14Å; V476-E480 WeakPolarHBondContact O-CG 3.45Å; V476-E480 PolarHBondContact O-N 3.41Å; L478-E480 VanDerWaalsContact C-N 3.34Å; E480-I484 WeakPolarHBondContact O-CB 2.9Å; E480-I484 WeakPolarHBondContact O-CG1 3.2Å; E480-I484 PolarHBondContact O-N 3.18Å |
| 481 | S | 98 | Very high | 96.1 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.4 | -45.2 | 177.8 | 55.9 | 0 | 0 | 0 | 0 | 112.2 | G477 L478 G485 W513 | G477-S481 PolarHBondContact O-N 3.04Å; G477-S481 VanDerWaalsContact O-N 3.14Å; G477-S481 PolarHBondContact O-OG 3.21Å; L478-S481 PolarHBondContact O-OG 2.98Å; S481-G485 WeakPolarHBondContact O-CA 3.43Å; S481-G485 PolarHBondContact O-N 3.29Å; S481-W513 CarbonylContact C-O 3.6Å |
| 482 | L | 97.8 | Very high | 96.5 | Very high | 60 Ų | 60 | 34.3 Ų | 34.3 | 31% | 0.314 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -62.8 | -48.6 | 178.7 | -76.1 | 176.3 | 0 | 0 | 0 | 113 | L478 L479 Y486 P518 | L478-L482 HydrophobicContact CD1-CD1 3.77Å; L478-L482 HydrophobicContact CD1-CG 4.09Å; L478-L482 HydrophobicContact CG-CD1 3.95Å; L478-L482 WeakPolarHBondContact O-CB 3.27Å; L478-L482 WeakPolarHBondContact O-CG 3.23Å; L478-L482 PolarHBondContact O-N 2.92Å; L479-L482 PolarHBondContact O-N 2.99Å; L482-Y486 HydrophobicContact CD2-CD2 4.11Å; L482-Y486 HydrophobicContact CD2-CE2 4.09Å; L482-Y486 WeakPolarHBondContact O-CB 3.25Å; L482-Y486 PolarHBondContact O-N 2.88Å; L482-P518 HydrophobicContact CD2-CB 3.6Å; L482-P518 HydrophobicContact CD2-CG 3.99Å; L482-P518 HydrophobicContact CG-CB 3.97Å; L482-P518 HydrophobicContact CG-CG 4.37Å |
| 483 | V | 98.1 | Very high | 96.8 | Very high | 3 Ų | 3 | 33.8 Ų | 33.8 | 2% | 0.018 | 15% | 0.154 | C | C | . | . | I | π-helix | trans | -66.5 | -44.4 | -177.1 | 174.2 | 0 | 0 | 0 | 0 | 110 | W114 C117 F120 I123 L479 I487 Y488 | W114-V483 HydrophobicContact CZ3-CB 4.14Å; W114-V483 HydrophobicContact CZ3-CG1 3.81Å; C117-V483 HydrophobicContact CB-CG1 3.81Å; F120-V483 HydrophobicContact CB-CG1 4.09Å; F120-V483 HydrophobicContact CB-CG2 4.11Å; F120-V483 HydrophobicContact CD1-CG2 3.57Å; F120-V483 HydrophobicContact CD2-CG1 3.96Å; F120-V483 HydrophobicContact CD2-CG2 3.78Å; F120-V483 HydrophobicContact CE1-CG2 3.83Å; F120-V483 HydrophobicContact CE2-CG2 4.04Å; F120-V483 HydrophobicContact CG-CB 4.49Å; F120-V483 HydrophobicContact CG-CG1 4.08Å; F120-V483 HydrophobicContact CG-CG2 3.53Å; F120-V483 HydrophobicContact CZ-CG2 4.06Å; I123-V483 HydrophobicContact CD1-CG2 4.22Å; L479-V483 VanDerWaalsContact O-CB 3.26Å; L479-V483 WeakPolarHBondContact O-CB 3.32Å; L479-V483 WeakPolarHBondContact O-CG2 3.48Å; L479-V483 PolarHBondContact O-N 3.22Å; V483-I487 HydrophobicContact CG1-CB 4.36Å; V483-I487 HydrophobicContact CG1-CD1 4.46Å; V483-I487 HydrophobicContact CG2-CD1 4.4Å; V483-I487 WeakPolarHBondContact O-CA 3.45Å; V483-I487 WeakPolarHBondContact O-CB 3.33Å; V483-I487 PolarHBondContact O-N 2.89Å; V483-Y488 PolarHBondContact O-N 3.05Å |
| 484 | I | 97.8 | Very high | 96.9 | Very high | 2 Ų | 2 | 33.8 Ų | 33.8 | 1% | 0.01 | 15% | 0.154 | C | C | . | . | I | π-helix | trans | -73 | -39.3 | -178.8 | -62.9 | 166.7 | 0 | 0 | 0 | 111.1 | L98 V102 W114 I116 E480 Y488 G489 I493 | L98-I484 HydrophobicContact CD1-CB 4.04Å; L98-I484 HydrophobicContact CD1-CD1 3.82Å; L98-I484 HydrophobicContact CD1-CG2 3.57Å; L98-I484 HydrophobicContact CD2-CB 4.28Å; L98-I484 HydrophobicContact CD2-CD1 3.71Å; L98-I484 HydrophobicContact CG-CD1 3.58Å; V102-I484 HydrophobicContact CG2-CD1 3.58Å; W114-I484 HydrophobicContact CH2-CD1 3.81Å; W114-I484 HydrophobicContact CH2-CG1 4.04Å; W114-I484 HydrophobicContact CZ3-CD1 4.39Å; W114-I484 HydrophobicContact CZ3-CG1 4.2Å; I116-I484 HydrophobicContact CD1-CD1 4.09Å; I116-I484 HydrophobicContact CD1-CG1 3.89Å; E480-I484 WeakPolarHBondContact O-CB 2.9Å; E480-I484 WeakPolarHBondContact O-CG1 3.2Å; E480-I484 PolarHBondContact O-N 3.18Å; I484-Y488 HydrophobicContact CG2-CD1 4.07Å; I484-G489 CarbonylContact O-C 3.52Å; I484-G489 PolarHBondContact O-N 3.34Å; I484-I493 HydrophobicContact CG2-CB 4.07Å; I484-I493 HydrophobicContact CG2-CD1 4.26Å; I484-I493 HydrophobicContact CG2-CG1 4.04Å; I484-I493 HydrophobicContact CG2-CG2 4.22Å |
| 485 | G | 97.5 | Very high | 96.8 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | I | π-helix | trans | -63.5 | -47.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | S481 G489 Y490 C514 | S481-G485 WeakPolarHBondContact O-CA 3.43Å; S481-G485 PolarHBondContact O-N 3.29Å; G485-G489 CarbonylContact O-C 3.52Å; G485-G489 WeakPolarHBondContact O-CA 3.35Å; G485-Y490 PolarHBondContact O-N 3.2Å; G485-C514 PolarHBondContact O-SG 3.39Å; G485-C514 VanDerWaalsContact O-SG 3.33Å |
| 486 | Y | 97.3 | Very high | 96.8 | Very high | 144 Ų | 144 | 37 Ų | 37 | 57% | 0.565 | 17% | 0.172 | S | C | * | . | I | π-helix | trans | -103.8 | -39.4 | -171.1 | -73.2 | -76.3 | 0 | 0 | 0 | 115.3 | L482 C514 | L482-Y486 HydrophobicContact CD2-CD2 4.11Å; L482-Y486 HydrophobicContact CD2-CE2 4.09Å; L482-Y486 WeakPolarHBondContact O-CB 3.25Å; L482-Y486 PolarHBondContact O-N 2.88Å; Y486-C514 HydrophobicContact CE1-CB 4.23Å; Y486-C514 HydrophobicContact CE2-CB 3.95Å; Y486-C514 VanDerWaalsContact CE2-O 3.31Å; Y486-C514 WeakPolarHBondContact CE2-O 3.43Å; Y486-C514 PolarHBondContact OH-O 3.04Å |
| 487 | I | 96.9 | Very high | 96.7 | Very high | 63 Ų | 63 | 37 Ų | 37 | 32% | 0.323 | 17% | 0.172 | S | C | . | . | I | π-helix | trans | -93.4 | -54.4 | -172 | -53.2 | -179.4 | 0 | 0 | 0 | 110.8 | C117 F120 V483 G489 C590 | C117-I487 VanDerWaalsContact SG-CG2 3.58Å; F120-I487 HydrophobicContact CD2-CD1 4.04Å; F120-I487 HydrophobicContact CE2-CD1 3.33Å; F120-I487 HydrophobicContact CZ-CD1 3.98Å; V483-I487 HydrophobicContact CG1-CB 4.36Å; V483-I487 HydrophobicContact CG1-CD1 4.46Å; V483-I487 HydrophobicContact CG2-CD1 4.4Å; V483-I487 WeakPolarHBondContact O-CA 3.45Å; V483-I487 WeakPolarHBondContact O-CB 3.33Å; V483-I487 PolarHBondContact O-N 2.89Å; I487-G489 PolarHBondContact O-N 3.23Å; I487-C590 HydrophobicContact CG2-CB 3.88Å |
| 488 | Y | 96.9 | Very high | 96.7 | Very high | 6 Ų | 6 | 41.3 Ų | 41.3 | 2% | 0.024 | 19% | 0.192 | C | C | . | . | I | π-helix | trans | -63.7 | -38.6 | 169.6 | -174.4 | -112.3 | 0 | 0 | 0 | 110.6 | I116 V483 I484 R492 I493 D496 P592 I594 | I116-Y488 HydrophobicContact CB-CD2 3.67Å; I116-Y488 HydrophobicContact CB-CE2 3.65Å; I116-Y488 HydrophobicContact CB-CG 4.41Å; I116-Y488 HydrophobicContact CG1-CD2 4.48Å; I116-Y488 HydrophobicContact CG2-CD2 4.39Å; I116-Y488 HydrophobicContact CG2-CE2 3.88Å; I116-Y488 WeakPolarHBondContact O-CD2 3.39Å; V483-Y488 PolarHBondContact O-N 3.05Å; I484-Y488 HydrophobicContact CG2-CD1 4.07Å; Y488-R492 HydrophobicContact CD1-CB 4.23Å; Y488-R492 HydrophobicContact CD1-CG 4.36Å; Y488-R492 HydrophobicContact CE1-CB 3.94Å; Y488-R492 HydrophobicContact CE1-CG 3.67Å; Y488-R492 HydrophobicContact CE2-CG 4.17Å; Y488-R492 PolarHBondContact O-NH1 3.04Å; Y488-R492 VanDerWaalsContact O-NH1 3.1Å; Y488-R492 WeakPolarHBondContact OH-CD 3.43Å; Y488-I493 HydrophobicContact CD1-CB 4.11Å; Y488-I493 HydrophobicContact CD1-CD1 4.41Å; Y488-I493 HydrophobicContact CE1-CB 4.01Å; Y488-I493 HydrophobicContact CE1-CD1 3.93Å; Y488-D496 WeakPolarHBondContact CE1-OD2 3.45Å; Y488-D496 PolarHBondContact OH-OD2 2.71Å; Y488-P592 HydrophobicContact CD2-CG 3.8Å; Y488-P592 HydrophobicContact CE2-CB 4.13Å; Y488-P592 HydrophobicContact CE2-CG 3.66Å; Y488-I594 HydrophobicContact CE2-CD1 4.38Å |
| 489 | G | 96.3 | Very high | 96.5 | Very high | 18 Ų | 18 | 45.2 Ų | 45.2 | 19% | 0.186 | 21% | 0.211 | C | C | . | . | I | π-helix | trans | 97.4 | 125.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | I484 G485 I487 K491 R492 I493 | I484-G489 CarbonylContact O-C 3.52Å; I484-G489 PolarHBondContact O-N 3.34Å; G485-G489 CarbonylContact O-C 3.52Å; G485-G489 WeakPolarHBondContact O-CA 3.35Å; I487-G489 PolarHBondContact O-N 3.23Å; G489-K491 PolarHBondContact O-N 2.9Å; G489-R492 WeakPolarHBondContact O-CB 3.48Å; G489-R492 PolarHBondContact O-N 3.41Å; G489-I493 PolarHBondContact O-N 2.94Å |
| 490 | Y | 96.3 | Very high | 96.3 | Very high | 70 Ų | 70 | 43.5 Ų | 43.5 | 28% | 0.275 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -55 | -29.9 | 179.2 | 78.5 | -91.2 | 0 | 0 | 0 | 113.5 | G485 I493 S494 C510 | G485-Y490 PolarHBondContact O-N 3.2Å; Y490-I493 VanDerWaalsContact O-CG2 3.32Å; Y490-I493 WeakPolarHBondContact O-CG2 3.01Å; Y490-S494 WeakPolarHBondContact O-CB 3.27Å; Y490-S494 PolarHBondContact O-N 3.06Å; Y490-C510 HydrophobicContact CD1-CB 4.2Å; Y490-C510 HydrophobicContact CD2-CB 3.54Å; Y490-C510 HydrophobicContact CE1-CB 4.3Å; Y490-C510 HydrophobicContact CE2-CB 3.65Å; Y490-C510 HydrophobicContact CG-CB 3.82Å |
| 491 | K | 96 | Very high | 96.1 | Very high | 137 Ų | 137 | 44.6 Ų | 44.6 | 60% | 0.596 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -67.1 | -41.1 | 176.2 | -66.3 | -175.9 | -178.4 | 177.4 | 0 | 111.4 | G489 S494 N495 | G489-K491 PolarHBondContact O-N 2.9Å; K491-S494 PolarHBondContact O-N 3.47Å; K491-N495 WeakPolarHBondContact O-CB 3.4Å; K491-N495 PolarHBondContact O-N 2.99Å; K491-N495 PolarHBondContact O-ND2 3.31Å; K491-N495 PolarHBondContact O-OD1 3.46Å |
| 492 | R | 95 | Very high | 95.8 | Very high | 105 Ų | 105 | 47.7 Ų | 47.7 | 40% | 0.396 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -67.2 | -50.4 | -179 | -172.9 | -179.8 | -76.8 | 147.6 | -9.4 | 110.5 | Y488 G489 S494 N495 D496 | Y488-R492 HydrophobicContact CD1-CB 4.23Å; Y488-R492 HydrophobicContact CD1-CG 4.36Å; Y488-R492 HydrophobicContact CE1-CB 3.94Å; Y488-R492 HydrophobicContact CE1-CG 3.67Å; Y488-R492 HydrophobicContact CE2-CG 4.17Å; Y488-R492 PolarHBondContact O-NH1 3.04Å; Y488-R492 VanDerWaalsContact O-NH1 3.1Å; Y488-R492 WeakPolarHBondContact OH-CD 3.43Å; G489-R492 WeakPolarHBondContact O-CB 3.48Å; G489-R492 PolarHBondContact O-N 3.41Å; R492-S494 VanDerWaalsContact C-N 3.27Å; R492-S494 PolarHBondContact O-N 3.5Å; R492-N495 CarbonylContact O-C 3.56Å; R492-N495 WeakPolarHBondContact O-CB 3.39Å; R492-N495 PolarHBondContact O-N 3.03Å; R492-N495 VanDerWaalsContact O-N 3.08Å; R492-D496 PolarHBondContact O-N 3.14Å |
| 493 | I | 95 | Very high | 95.5 | Very high | 3 Ų | 3 | 48.8 Ų | 48.8 | 2% | 0.015 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62 | -35.3 | 177.6 | -162.3 | 69.8 | 0 | 0 | 0 | 112.2 | L98 T101 V102 I484 Y488 G489 Y490 D496 M497 W513 | L98-I493 HydrophobicContact CD1-CG1 4.31Å; T101-I493 HydrophobicContact CG2-CD1 3.72Å; T101-I493 HydrophobicContact CG2-CG1 4.2Å; V102-I493 HydrophobicContact CG2-CD1 4.41Å; I484-I493 HydrophobicContact CG2-CB 4.07Å; I484-I493 HydrophobicContact CG2-CD1 4.26Å; I484-I493 HydrophobicContact CG2-CG1 4.04Å; I484-I493 HydrophobicContact CG2-CG2 4.22Å; Y488-I493 HydrophobicContact CD1-CB 4.11Å; Y488-I493 HydrophobicContact CD1-CD1 4.41Å; Y488-I493 HydrophobicContact CE1-CB 4.01Å; Y488-I493 HydrophobicContact CE1-CD1 3.93Å; G489-I493 PolarHBondContact O-N 2.94Å; Y490-I493 VanDerWaalsContact O-CG2 3.32Å; Y490-I493 WeakPolarHBondContact O-CG2 3.01Å; I493-D496 PolarHBondContact O-N 2.89Å; I493-M497 WeakPolarHBondContact O-CG 3.36Å; I493-M497 PolarHBondContact O-N 3.2Å; I493-W513 HydrophobicContact CG2-CE3 3.81Å; I493-W513 HydrophobicContact CG2-CZ3 3.74Å |
| 494 | S | 96.1 | Very high | 95 | Very high | 3 Ų | 3 | 49.8 Ų | 49.8 | 2% | 0.021 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -68.3 | -35.3 | 175.4 | -166.6 | 0 | 0 | 0 | 0 | 112.5 | Y490 K491 R492 M497 E498 S504 K506 | Y490-S494 WeakPolarHBondContact O-CB 3.27Å; Y490-S494 PolarHBondContact O-N 3.06Å; K491-S494 PolarHBondContact O-N 3.47Å; R492-S494 VanDerWaalsContact C-N 3.27Å; R492-S494 PolarHBondContact O-N 3.5Å; S494-M497 PolarHBondContact O-N 3.49Å; S494-E498 PolarHBondContact O-N 3.42Å; S494-S504 PolarHBondContact OG-OG 3.47Å; S494-K506 PolarHBondContact OG-N 2.88Å |
| 495 | N | 95.5 | Very high | 94.6 | Very high | 79 Ų | 79 | 50.9 Ų | 50.9 | 42% | 0.422 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -70 | -38.8 | 171.9 | -67.1 | -7.5 | 0 | 0 | 0 | 111.3 | K491 R492 M497 E498 M499 | K491-N495 WeakPolarHBondContact O-CB 3.4Å; K491-N495 PolarHBondContact O-N 2.99Å; K491-N495 PolarHBondContact O-ND2 3.31Å; K491-N495 PolarHBondContact O-OD1 3.46Å; R492-N495 CarbonylContact O-C 3.56Å; R492-N495 WeakPolarHBondContact O-CB 3.39Å; R492-N495 PolarHBondContact O-N 3.03Å; R492-N495 VanDerWaalsContact O-N 3.08Å; N495-M497 VanDerWaalsContact C-N 3.28Å; N495-M497 PolarHBondContact O-N 3.17Å; N495-E498 WeakPolarHBondContact O-CB 3.44Å; N495-E498 PolarHBondContact O-N 3.29Å; N495-E498 VanDerWaalsContact O-N 3.15Å; N495-M499 WeakPolarHBondContact O-CG 3.44Å; N495-M499 PolarHBondContact O-N 3.48Å |
| 496 | D | 94.8 | Very high | 94.3 | Very high | 22 Ų | 22 | 57.6 Ų | 57.6 | 12% | 0.118 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.3 | -42.4 | 174.5 | -61.2 | -30.7 | 0 | 0 | 0 | 110.1 | V105 Y488 R492 I493 M499 M500 | V105-D496 HydrophobicContact CG1-CB 4.31Å; V105-D496 HydrophobicContact CG2-CB 3.77Å; Y488-D496 WeakPolarHBondContact CE1-OD2 3.45Å; Y488-D496 PolarHBondContact OH-OD2 2.71Å; R492-D496 PolarHBondContact O-N 3.14Å; I493-D496 PolarHBondContact O-N 2.89Å; D496-M499 PolarHBondContact O-N 3.05Å; D496-M500 VanDerWaalsContact O-CG 3.31Å; D496-M500 WeakPolarHBondContact O-CG 3.49Å; D496-M500 PolarHBondContact O-N 3.2Å |
| 497 | M | 95.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63 | -39.1 | 172.8 | -71.4 | 178.5 | 170.4 | 0 | 0 | 113.4 | L97 T101 I493 S494 N495 M499 M500 Y501 L505 W513 | L97-M497 HydrophobicContact CD1-CE 4.3Å; L97-M497 HydrophobicContact CD2-CE 3.91Å; L97-M497 HydrophobicContact CG-CE 3.79Å; T101-M497 HydrophobicContact CG2-CE 3.7Å; T101-M497 HydrophobicContact CG2-CG 4.03Å; T101-M497 WeakPolarHBondContact OG1-CE 3.33Å; I493-M497 WeakPolarHBondContact O-CG 3.36Å; I493-M497 PolarHBondContact O-N 3.2Å; S494-M497 PolarHBondContact O-N 3.49Å; N495-M497 VanDerWaalsContact C-N 3.28Å; N495-M497 PolarHBondContact O-N 3.17Å; M497-M499 VanDerWaalsContact C-N 3.33Å; M497-M500 HydrophobicContact CB-CE 4.36Å; M497-M500 HydrophobicContact CG-CE 3.89Å; M497-M500 PolarHBondContact O-N 2.82Å; M497-Y501 HydrophobicContact CB-CD2 4.04Å; M497-Y501 HydrophobicContact CB-CE2 3.96Å; M497-Y501 HydrophobicContact CG-CD2 4.48Å; M497-Y501 HydrophobicContact CG-CE2 3.9Å; M497-Y501 WeakPolarHBondContact O-CD2 3.27Å; M497-Y501 PolarHBondContact O-N 2.99Å; M497-L505 HydrophobicContact CE-CD1 4.47Å; M497-L505 HydrophobicContact SD-CD1 3.5Å; M497-L505 VanDerWaalsContact SD-CD1 3.5Å; M497-L505 HydrophobicContact SD-CG 4Å; M497-W513 HydrophobicContact CE-CH2 3.31Å; M497-W513 HydrophobicContact CE-CZ2 3.98Å; M497-W513 HydrophobicContact CE-CZ3 4.13Å; M497-W513 HydrophobicContact SD-CH2 3.71Å; M497-W513 HydrophobicContact SD-CZ3 4.21Å |
| 498 | E | 95.5 | Very high | 93.9 | Very high | 89 Ų | 89 | 59.1 Ų | 59.1 | 42% | 0.416 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63 | -40.9 | 174.7 | -172.4 | 168.6 | -156.6 | 0 | 0 | 111.8 | S494 N495 G502 F503 | S494-E498 PolarHBondContact O-N 3.42Å; N495-E498 WeakPolarHBondContact O-CB 3.44Å; N495-E498 PolarHBondContact O-N 3.29Å; N495-E498 VanDerWaalsContact O-N 3.15Å; E498-G502 WeakPolarHBondContact O-CA 3.45Å; E498-G502 PolarHBondContact O-N 3.08Å; E498-F503 WeakPolarHBondContact CA-O 3.37Å |
| 499 | M | 94.4 | Very high | 93.8 | Very high | 103 Ų | 103 | 58.9 Ų | 58.9 | 51% | 0.507 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -65.9 | -37.9 | 174.4 | -66.4 | -178 | -166.9 | 0 | 0 | 112.3 | F324 H325 N495 D496 M497 | F324-M499 HydrophobicContact CE1-CB 4.03Å; F324-M499 HydrophobicContact CZ-CB 3.97Å; H325-M499 PolarHBondContact CE1-O 3.38Å; H325-M499 PolarHBondContact ND1-O 2.98Å; H325-M499 VanDerWaalsContact ND1-O 3.16Å; N495-M499 WeakPolarHBondContact O-CG 3.44Å; N495-M499 PolarHBondContact O-N 3.48Å; D496-M499 PolarHBondContact O-N 3.05Å; M497-M499 VanDerWaalsContact C-N 3.33Å |
| 500 | M | 94.7 | Very high | 93.8 | Very high | 2 Ų | 2 | 59.6 Ų | 59.6 | 1% | 0.01 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -72.2 | -53.2 | 178.4 | -70 | -172.5 | -61.2 | 0 | 0 | 112.1 | T101 Q104 V105 F324 H325 D496 M497 | T101-M500 HydrophobicContact CG2-CE 3.39Å; Q104-M500 HydrophobicContact CB-SD 4Å; Q104-M500 HydrophobicContact CG-SD 3.64Å; V105-M500 HydrophobicContact CG2-CE 3.82Å; V105-M500 HydrophobicContact CG2-CG 4.29Å; V105-M500 HydrophobicContact CG2-SD 3.51Å; V105-M500 VanDerWaalsContact CG2-SD 3.51Å; F324-M500 HydrophobicContact CD2-CG 4.34Å; F324-M500 HydrophobicContact CE1-CG 4.24Å; F324-M500 HydrophobicContact CE2-CG 3.97Å; F324-M500 HydrophobicContact CZ-CG 3.91Å; F324-M500 WeakPolarHBondContact O-CB 3.37Å; F324-M500 WeakPolarHBondContact O-CG 3.38Å; H325-M500 VanDerWaalsContact CA-O 3.28Å; H325-M500 WeakPolarHBondContact CA-O 3.21Å; H325-M500 PolarHBondContact ND1-O 3.48Å; H325-M500 VanDerWaalsContact ND1-O 3.13Å; D496-M500 VanDerWaalsContact O-CG 3.31Å; D496-M500 WeakPolarHBondContact O-CG 3.49Å; D496-M500 PolarHBondContact O-N 3.2Å; M497-M500 HydrophobicContact CB-CE 4.36Å; M497-M500 HydrophobicContact CG-CE 3.89Å; M497-M500 PolarHBondContact O-N 2.82Å |
| 501 | Y | 93.1 | Very high | 93.8 | Very high | 27 Ų | 27 | 59.2 Ų | 59.2 | 11% | 0.106 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -100.5 | -10.9 | -167.4 | -45.4 | -42.4 | 0 | 0 | 0 | 114.3 | H326 S328 L329 M497 F503 | H326-Y501 WeakPolarHBondContact O-CE1 3.42Å; S328-Y501 WeakPolarHBondContact OG-CE1 3.39Å; S328-Y501 PolarHBondContact OG-OH 3.27Å; L329-Y501 HydrophobicContact CB-CD2 4.36Å; L329-Y501 HydrophobicContact CB-CE2 3.94Å; M497-Y501 HydrophobicContact CB-CD2 4.04Å; M497-Y501 HydrophobicContact CB-CE2 3.96Å; M497-Y501 HydrophobicContact CG-CD2 4.48Å; M497-Y501 HydrophobicContact CG-CE2 3.9Å; M497-Y501 WeakPolarHBondContact O-CD2 3.27Å; M497-Y501 PolarHBondContact O-N 2.99Å; Y501-F503 VanDerWaalsContact C-N 3.31Å; Y501-F503 VanDerWaalsContact CB-CE1 3.41Å; Y501-F503 HydrophobicContact CD2-CE2 4.34Å; Y501-F503 HydrophobicContact CD2-CZ 4.06Å; Y501-F503 HydrophobicContact CG-CE1 4.33Å; Y501-F503 HydrophobicContact CG-CZ 4.21Å; Y501-F503 WeakPolarHBondContact O-CD1 3.31Å |
| 502 | G | 91.6 | Very high | 93.9 | Very high | 64 Ų | 64 | 55.4 Ų | 55.4 | 66% | 0.66 | 27% | 0.274 | S | S | * | . | S | Bend | trans | 80.7 | 6.1 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | E498 | E498-G502 WeakPolarHBondContact O-CA 3.45Å; E498-G502 PolarHBondContact O-N 3.08Å |
| 503 | F | 90.9 | Very high | 94 | Very high | 84 Ų | 84 | 50.6 Ų | 50.6 | 37% | 0.368 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -145.1 | 143.9 | 174.6 | 62.1 | -91.1 | 0 | 0 | 0 | 111.4 | L329 E498 Y501 L505 | L329-F503 HydrophobicContact CD2-CE2 3.57Å; L329-F503 HydrophobicContact CD2-CZ 3.63Å; E498-F503 WeakPolarHBondContact CA-O 3.37Å; Y501-F503 VanDerWaalsContact C-N 3.31Å; Y501-F503 VanDerWaalsContact CB-CE1 3.41Å; Y501-F503 HydrophobicContact CD2-CE2 4.34Å; Y501-F503 HydrophobicContact CD2-CZ 4.06Å; Y501-F503 HydrophobicContact CG-CE1 4.33Å; Y501-F503 HydrophobicContact CG-CZ 4.21Å; Y501-F503 WeakPolarHBondContact O-CD1 3.31Å; F503-L505 HydrophobicContact CE2-CD2 4.34Å |
| 504 | S | 87.8 | Confident | 94.2 | Very high | 23 Ų | 23 | 50.9 Ų | 50.9 | 16% | 0.161 | 26% | 0.258 | C | S | . | . | trans | -91.4 | 140.2 | 177.6 | -179.1 | 0 | 0 | 0 | 0 | 111.8 | S494 K506 | S494-S504 PolarHBondContact OG-OG 3.47Å; S504-K506 PolarHBondContact O-N 3.47Å; S504-K506 WeakPolarHBondContact OG-CG 3.04Å; S504-K506 PolarHBondContact OG-N 2.99Å | ||
| 505 | L | 90.7 | Very high | 94.3 | Very high | 25 Ų | 25 | 54.6 Ų | 54.6 | 13% | 0.131 | 28% | 0.276 | C | S | . | . | trans | -72.7 | -9.4 | 166 | -65.6 | -173.5 | 0 | 0 | 0 | 112.3 | L97 L329 M497 F503 W507 I508 A509 W513 | L97-L505 HydrophobicContact CD2-CD1 4.07Å; L329-L505 HydrophobicContact CD2-CD2 4.15Å; M497-L505 HydrophobicContact CE-CD1 4.47Å; M497-L505 HydrophobicContact SD-CD1 3.5Å; M497-L505 VanDerWaalsContact SD-CD1 3.5Å; M497-L505 HydrophobicContact SD-CG 4Å; F503-L505 HydrophobicContact CE2-CD2 4.34Å; L505-W507 PolarHBondContact O-N 3.26Å; L505-W507 VanDerWaalsContact O-N 3.13Å; L505-I508 HydrophobicContact CB-CB 4.36Å; L505-I508 VanDerWaalsContact O-CB 3.24Å; L505-I508 WeakPolarHBondContact O-CB 3.48Å; L505-I508 PolarHBondContact O-N 3.33Å; L505-A509 HydrophobicContact CB-CB 4.36Å; L505-W513 HydrophobicContact CD1-CH2 4.02Å | ||
| 506 | K | 90.3 | Very high | 94.4 | Very high | 142 Ų | 142 | 52.4 Ų | 52.4 | 62% | 0.617 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.5 | -116.3 | 176.2 | -60.1 | -178.7 | -179.6 | 179 | 0 | 111.9 | S494 S504 I508 | S494-K506 PolarHBondContact OG-N 2.88Å; S504-K506 PolarHBondContact O-N 3.47Å; S504-K506 WeakPolarHBondContact OG-CG 3.04Å; S504-K506 PolarHBondContact OG-N 2.99Å; K506-I508 VanDerWaalsContact C-N 3.33Å |
| 507 | W | 92.6 | Very high | 94.6 | Very high | 175 Ų | 175 | 51.4 Ų | 51.4 | 66% | 0.663 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -74.7 | -20.1 | -177.1 | 66.3 | -91.2 | 0 | 0 | 0 | 113.4 | L505 A509 C510 L511 | L505-W507 PolarHBondContact O-N 3.26Å; L505-W507 VanDerWaalsContact O-N 3.13Å; W507-A509 VanDerWaalsContact C-N 3.29Å; W507-A509 PolarHBondContact O-N 3.01Å; W507-C510 WeakPolarHBondContact O-CB 3.15Å; W507-C510 PolarHBondContact O-N 3.21Å; W507-C510 VanDerWaalsContact O-N 3.15Å; W507-L511 HydrophobicContact CE3-CB 4.43Å; W507-L511 HydrophobicContact CZ3-CB 4.45Å; W507-L511 HydrophobicContact CZ3-CD2 3.94Å; W507-L511 PolarHBondContact O-N 3.16Å |
| 508 | I | 94 | Very high | 94.7 | Very high | 64 Ų | 64 | 51.7 Ų | 51.7 | 33% | 0.328 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.1 | -37.7 | 178.4 | -60.3 | 173.3 | 0 | 0 | 0 | 110.2 | L505 K506 C510 L511 F512 | L505-I508 HydrophobicContact CB-CB 4.36Å; L505-I508 VanDerWaalsContact O-CB 3.24Å; L505-I508 WeakPolarHBondContact O-CB 3.48Å; L505-I508 PolarHBondContact O-N 3.33Å; K506-I508 VanDerWaalsContact C-N 3.33Å; I508-C510 VanDerWaalsContact C-N 3.31Å; I508-C510 PolarHBondContact O-N 2.94Å; I508-L511 PolarHBondContact O-N 2.87Å; I508-F512 HydrophobicContact CG2-CD2 3.65Å; I508-F512 HydrophobicContact CG2-CE2 3.85Å; I508-F512 PolarHBondContact O-N 3.47Å |
| 509 | A | 93.7 | Very high | 94.8 | Very high | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.008 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -57.7 | -42.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L505 W507 W513 | L505-A509 HydrophobicContact CB-CB 4.36Å; W507-A509 VanDerWaalsContact C-N 3.29Å; W507-A509 PolarHBondContact O-N 3.01Å; A509-W513 HydrophobicContact CB-CE3 3.7Å; A509-W513 HydrophobicContact CB-CH2 4.45Å; A509-W513 HydrophobicContact CB-CZ3 3.42Å; A509-W513 VanDerWaalsContact CB-CZ3 3.42Å; A509-W513 PolarHBondContact O-N 3.09Å |
| 510 | C | 96.4 | Very high | 95 | Very high | 33 Ų | 33 | 49.1 Ų | 49.1 | 22% | 0.223 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65 | -49.6 | 175.5 | -173.8 | 0 | 0 | 0 | 0 | 111 | Y490 W507 I508 F512 C514 | Y490-C510 HydrophobicContact CD1-CB 4.2Å; Y490-C510 HydrophobicContact CD2-CB 3.54Å; Y490-C510 HydrophobicContact CE1-CB 4.3Å; Y490-C510 HydrophobicContact CE2-CB 3.65Å; Y490-C510 HydrophobicContact CG-CB 3.82Å; W507-C510 WeakPolarHBondContact O-CB 3.15Å; W507-C510 PolarHBondContact O-N 3.21Å; W507-C510 VanDerWaalsContact O-N 3.15Å; I508-C510 VanDerWaalsContact C-N 3.31Å; I508-C510 PolarHBondContact O-N 2.94Å; C510-F512 VanDerWaalsContact C-N 3.31Å; C510-F512 PolarHBondContact O-N 2.88Å; C510-C514 WeakPolarHBondContact O-CA 3.44Å; C510-C514 WeakPolarHBondContact O-CB 3.46Å; C510-C514 PolarHBondContact O-N 3.13Å |
| 511 | L | 97.5 | Very high | 95.2 | Very high | 63 Ų | 63 | 49 Ų | 49 | 33% | 0.33 | 25% | 0.251 | S | S | . | . | I | π-helix | trans | -53.6 | -50.2 | -179.9 | 176.3 | 66.1 | 0 | 0 | 0 | 111.1 | W507 I508 I515 V516 | W507-L511 HydrophobicContact CE3-CB 4.43Å; W507-L511 HydrophobicContact CZ3-CB 4.45Å; W507-L511 HydrophobicContact CZ3-CD2 3.94Å; W507-L511 PolarHBondContact O-N 3.16Å; I508-L511 PolarHBondContact O-N 2.87Å; L511-I515 WeakPolarHBondContact O-CB 3.24Å; L511-I515 PolarHBondContact O-N 3.21Å; L511-V516 HydrophobicContact CD1-CG2 3.69Å; L511-V516 HydrophobicContact CG-CG2 3.91Å; L511-V516 WeakPolarHBondContact O-CG2 3.29Å; L511-V516 PolarHBondContact O-N 3.39Å |
| 512 | F | 97.7 | Very high | 95.4 | Very high | 56 Ų | 56 | 53 Ų | 53 | 25% | 0.246 | 27% | 0.269 | C | S | . | . | I | π-helix | trans | -77.3 | -49.2 | -175.5 | -80.9 | -74.2 | 0 | 0 | 0 | 113.8 | F89 P94 I508 C510 V516 T517 P518 | F89-F512 WeakPolarHBondContact O-CE1 3.35Å; P94-F512 HydrophobicContact CB-CB 4.21Å; P94-F512 HydrophobicContact CB-CD1 4.06Å; P94-F512 HydrophobicContact CB-CG 4.34Å; P94-F512 HydrophobicContact CG-CB 4.4Å; P94-F512 HydrophobicContact CG-CD1 3.36Å; P94-F512 HydrophobicContact CG-CE1 3.78Å; P94-F512 HydrophobicContact CG-CG 4.01Å; I508-F512 HydrophobicContact CG2-CD2 3.65Å; I508-F512 HydrophobicContact CG2-CE2 3.85Å; I508-F512 PolarHBondContact O-N 3.47Å; C510-F512 VanDerWaalsContact C-N 3.31Å; C510-F512 PolarHBondContact O-N 2.88Å; F512-V516 HydrophobicContact CD1-CB 4.21Å; F512-V516 HydrophobicContact CD1-CG1 4.07Å; F512-V516 HydrophobicContact CE1-CG1 4.17Å; F512-T517 WeakPolarHBondContact O-CA 3.18Å; F512-T517 WeakPolarHBondContact O-CB 3.49Å; F512-T517 PolarHBondContact O-N 3.4Å; F512-T517 PolarHBondContact O-OG1 3.08Å; F512-P518 WeakPolarHBondContact O-CD 3.43Å |
| 513 | W | 97.6 | Very high | 95.7 | Very high | 4 Ų | 4 | 52 Ų | 52 | 2% | 0.015 | 25% | 0.254 | C | S | . | . | I | π-helix | trans | -93.4 | -12.7 | -171.1 | -57 | -51.3 | 0 | 0 | 0 | 114.7 | P94 L97 L98 S481 I493 M497 L505 A509 P518 | P94-W513 PolarHBondContact O-NE1 3.36Å; L97-W513 HydrophobicContact CD2-CH2 4.33Å; L97-W513 HydrophobicContact CD2-CZ2 4.11Å; L97-W513 HydrophobicContact CG-CZ2 4.44Å; L98-W513 HydrophobicContact CD1-CD2 3.9Å; L98-W513 HydrophobicContact CD1-CE3 4.37Å; L98-W513 HydrophobicContact CD1-CG 4.23Å; L98-W513 HydrophobicContact CD1-CZ2 4.18Å; L98-W513 HydrophobicContact CD2-CG 4.45Å; S481-W513 CarbonylContact C-O 3.6Å; I493-W513 HydrophobicContact CG2-CE3 3.81Å; I493-W513 HydrophobicContact CG2-CZ3 3.74Å; M497-W513 HydrophobicContact CE-CH2 3.31Å; M497-W513 HydrophobicContact CE-CZ2 3.98Å; M497-W513 HydrophobicContact CE-CZ3 4.13Å; M497-W513 HydrophobicContact SD-CH2 3.71Å; M497-W513 HydrophobicContact SD-CZ3 4.21Å; L505-W513 HydrophobicContact CD1-CH2 4.02Å; A509-W513 HydrophobicContact CB-CE3 3.7Å; A509-W513 HydrophobicContact CB-CH2 4.45Å; A509-W513 HydrophobicContact CB-CZ3 3.42Å; A509-W513 VanDerWaalsContact CB-CZ3 3.42Å; A509-W513 PolarHBondContact O-N 3.09Å; W513-P518 VanDerWaalsContact O-CG 3.24Å; W513-P518 WeakPolarHBondContact O-CG 3.47Å |
| 514 | C | 97.9 | Very high | 96 | Very high | 9 Ų | 9 | 48.2 Ų | 48.2 | 6% | 0.061 | 24% | 0.238 | C | C | . | . | I | π-helix | trans | -98.1 | -29.7 | 171.1 | -59.4 | 0 | 0 | 0 | 0 | 112.7 | G485 Y486 C510 | G485-C514 PolarHBondContact O-SG 3.39Å; G485-C514 VanDerWaalsContact O-SG 3.33Å; Y486-C514 HydrophobicContact CE1-CB 4.23Å; Y486-C514 HydrophobicContact CE2-CB 3.95Å; Y486-C514 VanDerWaalsContact CE2-O 3.31Å; Y486-C514 WeakPolarHBondContact CE2-O 3.43Å; Y486-C514 PolarHBondContact OH-O 3.04Å; C510-C514 WeakPolarHBondContact O-CA 3.44Å; C510-C514 WeakPolarHBondContact O-CB 3.46Å; C510-C514 PolarHBondContact O-N 3.13Å |
| 515 | I | 97.8 | Very high | 96.4 | Very high | 81 Ų | 81 | 49.3 Ų | 49.3 | 42% | 0.415 | 24% | 0.24 | S | C | . | . | I | π-helix | trans | -121.4 | -70.2 | -169.1 | -53.7 | 176.4 | 0 | 0 | 0 | 111.4 | L511 I519 | L511-I515 WeakPolarHBondContact O-CB 3.24Å; L511-I515 PolarHBondContact O-N 3.21Å; I515-I519 HydrophobicContact CG2-CD1 3.8Å; I515-I519 VanDerWaalsContact O-CB 3.26Å; I515-I519 WeakPolarHBondContact O-CB 3.13Å; I515-I519 WeakPolarHBondContact O-CD1 3.48Å; I515-I519 WeakPolarHBondContact O-CG1 3.26Å; I515-I519 PolarHBondContact O-N 2.95Å; I515-I519 VanDerWaalsContact O-N 3.11Å |
| 516 | V | 98.3 | Very high | 96.7 | Very high | 34 Ų | 34 | 51.4 Ų | 51.4 | 21% | 0.206 | 25% | 0.25 | C | S | . | . | I | π-helix | trans | -66.3 | -55.1 | -165.8 | 171.3 | 0 | 0 | 0 | 0 | 112.3 | L90 L511 F512 I519 F520 | L90-V516 HydrophobicContact CB-CG1 4.08Å; L90-V516 HydrophobicContact CD2-CG1 3.58Å; L90-V516 HydrophobicContact CG-CG1 4.27Å; L511-V516 HydrophobicContact CD1-CG2 3.69Å; L511-V516 HydrophobicContact CG-CG2 3.91Å; L511-V516 WeakPolarHBondContact O-CG2 3.29Å; L511-V516 PolarHBondContact O-N 3.39Å; F512-V516 HydrophobicContact CD1-CB 4.21Å; F512-V516 HydrophobicContact CD1-CG1 4.07Å; F512-V516 HydrophobicContact CE1-CG1 4.17Å; V516-I519 PolarHBondContact O-N 3.01Å; V516-F520 WeakPolarHBondContact O-CB 3.38Å; V516-F520 PolarHBondContact O-N 3.42Å |
| 517 | T | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.8 | -46.7 | -175.2 | -48.2 | 0 | 0 | 0 | 0 | 111.8 | L90 P94 L95 F512 T521 | L90-T517 WeakPolarHBondContact O-CA 3.44Å; L90-T517 PolarHBondContact O-OG1 2.61Å; P94-T517 HydrophobicContact CB-CG2 4.4Å; P94-T517 VanDerWaalsContact CB-OG1 3.32Å; P94-T517 WeakPolarHBondContact CB-OG1 3.19Å; L95-T517 HydrophobicContact CD1-CG2 4.06Å; L95-T517 HydrophobicContact CD2-CG2 3.69Å; L95-T517 HydrophobicContact CG-CG2 3.6Å; F512-T517 WeakPolarHBondContact O-CA 3.18Å; F512-T517 WeakPolarHBondContact O-CB 3.49Å; F512-T517 PolarHBondContact O-N 3.4Å; F512-T517 PolarHBondContact O-OG1 3.08Å; T517-T521 VanDerWaalsContact O-CB 3.23Å; T517-T521 WeakPolarHBondContact O-CB 3.49Å; T517-T521 PolarHBondContact O-N 3.18Å; T517-T521 PolarHBondContact O-OG1 3.18Å |
| 518 | P | 98.1 | Very high | 97 | Very high | 6 Ų | 6 | 38.1 Ų | 38.1 | 4% | 0.039 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.4 | -46.6 | 175.9 | -23.9 | 33.7 | 0 | 0 | 0 | 113.3 | L478 L482 F512 W513 T521 F522 | L478-P518 HydrophobicContact CD1-CB 4.14Å; L478-P518 VanDerWaalsContact CD1-O 3.31Å; L478-P518 WeakPolarHBondContact CD1-O 3.45Å; L482-P518 HydrophobicContact CD2-CB 3.6Å; L482-P518 HydrophobicContact CD2-CG 3.99Å; L482-P518 HydrophobicContact CG-CB 3.97Å; L482-P518 HydrophobicContact CG-CG 4.37Å; F512-P518 WeakPolarHBondContact O-CD 3.43Å; W513-P518 VanDerWaalsContact O-CG 3.24Å; W513-P518 WeakPolarHBondContact O-CG 3.47Å; P518-T521 PolarHBondContact O-N 3.41Å; P518-F522 WeakPolarHBondContact O-CB 3.46Å; P518-F522 PolarHBondContact O-N 2.93Å |
| 519 | I | 98.3 | Very high | 97 | Very high | 110 Ų | 110 | 38.8 Ų | 38.8 | 56% | 0.564 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -63.7 | -46 | -179.2 | -69 | 170.9 | 0 | 0 | 0 | 110.4 | I515 V516 F522 A523 | I515-I519 HydrophobicContact CG2-CD1 3.8Å; I515-I519 VanDerWaalsContact O-CB 3.26Å; I515-I519 WeakPolarHBondContact O-CB 3.13Å; I515-I519 WeakPolarHBondContact O-CD1 3.48Å; I515-I519 WeakPolarHBondContact O-CG1 3.26Å; I515-I519 PolarHBondContact O-N 2.95Å; I515-I519 VanDerWaalsContact O-N 3.11Å; V516-I519 PolarHBondContact O-N 3.01Å; I519-F522 PolarHBondContact O-N 3.32Å; I519-A523 WeakPolarHBondContact O-CB 3.2Å; I519-A523 PolarHBondContact O-N 3.31Å |
| 520 | F | 98.3 | Very high | 97.1 | Very high | 29 Ų | 29 | 43.8 Ų | 43.8 | 13% | 0.127 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.6 | -45.2 | -179.7 | -176.8 | -103.4 | 0 | 0 | 0 | 111.8 | I86 S87 L90 A91 V516 F522 A523 L524 | I86-F520 HydrophobicContact CG2-CE2 4.12Å; I86-F520 HydrophobicContact CG2-CZ 4.36Å; S87-F520 WeakPolarHBondContact OG-CZ 3.33Å; L90-F520 HydrophobicContact CB-CB 4.23Å; L90-F520 HydrophobicContact CB-CD1 3.76Å; L90-F520 HydrophobicContact CB-CD2 4.19Å; L90-F520 HydrophobicContact CB-CE1 4.12Å; L90-F520 HydrophobicContact CB-CG 3.79Å; L90-F520 HydrophobicContact CD1-CD2 3.65Å; L90-F520 HydrophobicContact CD1-CE2 3.95Å; L90-F520 HydrophobicContact CD1-CG 4.06Å; A91-F520 HydrophobicContact CB-CD1 3.86Å; A91-F520 HydrophobicContact CB-CE1 4.04Å; V516-F520 WeakPolarHBondContact O-CB 3.38Å; V516-F520 PolarHBondContact O-N 3.42Å; F520-F522 PolarHBondContact O-N 2.78Å; F520-A523 PolarHBondContact O-N 3.39Å; F520-L524 HydrophobicContact CD1-CD1 3.85Å; F520-L524 HydrophobicContact CD1-CG 4.31Å; F520-L524 HydrophobicContact CE1-CD1 3.34Å; F520-L524 HydrophobicContact CE1-CG 3.95Å; F520-L524 HydrophobicContact CZ-CD1 3.86Å; F520-L524 HydrophobicContact CZ-CD2 4.28Å; F520-L524 HydrophobicContact CZ-CG 4.08Å; F520-L524 WeakPolarHBondContact O-CG 3.08Å; F520-L524 PolarHBondContact O-N 2.95Å |
| 521 | T | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.3 | -37.9 | 178.2 | -52.7 | 0 | 0 | 0 | 0 | 111.7 | F305 L474 L478 T517 P518 L524 F525 | F305-T521 HydrophobicContact CE1-CG2 4.21Å; F305-T521 HydrophobicContact CE2-CG2 4.4Å; F305-T521 HydrophobicContact CZ-CG2 3.54Å; L474-T521 VanDerWaalsContact O-CG2 3.31Å; L474-T521 WeakPolarHBondContact O-CG2 3.42Å; L478-T521 HydrophobicContact CB-CG2 3.96Å; T517-T521 VanDerWaalsContact O-CB 3.23Å; T517-T521 WeakPolarHBondContact O-CB 3.49Å; T517-T521 PolarHBondContact O-N 3.18Å; T517-T521 PolarHBondContact O-OG1 3.18Å; P518-T521 PolarHBondContact O-N 3.41Å; T521-L524 PolarHBondContact O-N 2.89Å; T521-F525 WeakPolarHBondContact O-CB 3.36Å; T521-F525 PolarHBondContact O-N 3.28Å |
| 522 | F | 97.8 | Very high | 96.8 | Very high | 110 Ų | 110 | 43.6 Ų | 43.6 | 48% | 0.482 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -64.5 | -45.1 | 173.7 | -178.2 | -113.3 | 0 | 0 | 0 | 111.6 | L478 P518 I519 F520 L524 F525 I526 | L478-F522 HydrophobicContact CD1-CB 3.96Å; L478-F522 HydrophobicContact CD2-CB 4.19Å; L478-F522 HydrophobicContact CD2-CD2 3.77Å; L478-F522 HydrophobicContact CD2-CG 4.45Å; P518-F522 WeakPolarHBondContact O-CB 3.46Å; P518-F522 PolarHBondContact O-N 2.93Å; I519-F522 PolarHBondContact O-N 3.32Å; F520-F522 PolarHBondContact O-N 2.78Å; F522-L524 VanDerWaalsContact C-N 3.34Å; F522-L524 PolarHBondContact O-N 3.08Å; F522-F525 WeakPolarHBondContact O-CB 3.43Å; F522-F525 PolarHBondContact O-N 3.06Å; F522-I526 HydrophobicContact CD1-CG1 4.43Å; F522-I526 HydrophobicContact CD2-CG1 4.45Å; F522-I526 HydrophobicContact CE1-CG1 4.06Å; F522-I526 HydrophobicContact CE2-CD1 4.04Å; F522-I526 HydrophobicContact CE2-CG1 4.09Å; F522-I526 HydrophobicContact CZ-CD1 3.93Å; F522-I526 HydrophobicContact CZ-CG1 3.89Å; F522-I526 WeakPolarHBondContact O-CG1 3.45Å; F522-I526 PolarHBondContact O-N 2.88Å |
| 523 | A | 97.9 | Very high | 96.6 | Very high | 42 Ų | 42 | 48 Ų | 48 | 35% | 0.347 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -59.8 | -44.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | I519 F520 F525 I526 I527 | I519-A523 WeakPolarHBondContact O-CB 3.2Å; I519-A523 PolarHBondContact O-N 3.31Å; F520-A523 PolarHBondContact O-N 3.39Å; A523-F525 VanDerWaalsContact C-N 3.33Å; A523-F525 PolarHBondContact O-N 3.46Å; A523-I526 PolarHBondContact O-N 2.88Å; A523-I527 WeakPolarHBondContact O-CB 3.24Å; A523-I527 WeakPolarHBondContact O-CG1 3.01Å; A523-I527 PolarHBondContact O-N 2.95Å |
| 524 | L | 96.8 | Very high | 96.4 | Very high | 6 Ų | 6 | 54 Ų | 54 | 3% | 0.031 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.6 | -42.1 | 174 | -77.1 | -179.1 | 0 | 0 | 0 | 112.2 | F305 F520 T521 F522 I527 S528 | F305-L524 HydrophobicContact CE2-CD1 4.31Å; F520-L524 HydrophobicContact CD1-CD1 3.85Å; F520-L524 HydrophobicContact CD1-CG 4.31Å; F520-L524 HydrophobicContact CE1-CD1 3.34Å; F520-L524 HydrophobicContact CE1-CG 3.95Å; F520-L524 HydrophobicContact CZ-CD1 3.86Å; F520-L524 HydrophobicContact CZ-CD2 4.28Å; F520-L524 HydrophobicContact CZ-CG 4.08Å; F520-L524 WeakPolarHBondContact O-CG 3.08Å; F520-L524 PolarHBondContact O-N 2.95Å; T521-L524 PolarHBondContact O-N 2.89Å; F522-L524 VanDerWaalsContact C-N 3.34Å; F522-L524 PolarHBondContact O-N 3.08Å; L524-I527 PolarHBondContact O-N 2.88Å; L524-S528 VanDerWaalsContact O-CB 3.26Å; L524-S528 WeakPolarHBondContact O-CB 3.37Å; L524-S528 PolarHBondContact O-N 3.31Å |
| 525 | F | 96 | Very high | 96.2 | Very high | 46 Ų | 46 | 54 Ų | 54 | 20% | 0.202 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61 | -51 | 176.2 | 172.8 | -107.8 | 0 | 0 | 0 | 111.4 | L474 I475 T521 F522 A523 I527 S528 V529 | L474-F525 HydrophobicContact CB-CB 4.2Å; L474-F525 HydrophobicContact CB-CD2 4.33Å; L474-F525 HydrophobicContact CD1-CB 4.42Å; I475-F525 HydrophobicContact CD1-CD2 4.4Å; I475-F525 HydrophobicContact CD1-CE2 3.63Å; I475-F525 HydrophobicContact CD1-CZ 3.93Å; I475-F525 HydrophobicContact CG1-CD2 3.78Å; I475-F525 HydrophobicContact CG1-CE2 3.5Å; I475-F525 HydrophobicContact CG1-CG 4.48Å; I475-F525 HydrophobicContact CG1-CZ 3.99Å; T521-F525 WeakPolarHBondContact O-CB 3.36Å; T521-F525 PolarHBondContact O-N 3.28Å; F522-F525 WeakPolarHBondContact O-CB 3.43Å; F522-F525 PolarHBondContact O-N 3.06Å; A523-F525 VanDerWaalsContact C-N 3.33Å; A523-F525 PolarHBondContact O-N 3.46Å; F525-I527 PolarHBondContact O-N 3.44Å; F525-S528 WeakPolarHBondContact O-CB 3.26Å; F525-S528 PolarHBondContact O-N 3.22Å; F525-S528 VanDerWaalsContact O-N 3.15Å; F525-S528 PolarHBondContact O-OG 3.04Å; F525-V529 HydrophobicContact CD2-CG2 4.4Å; F525-V529 HydrophobicContact CE1-CG2 4.28Å; F525-V529 HydrophobicContact CE2-CG2 3.91Å; F525-V529 HydrophobicContact CZ-CG2 3.85Å; F525-V529 WeakPolarHBondContact O-CG2 3.47Å; F525-V529 PolarHBondContact O-N 3.42Å |
| 526 | I | 97.2 | Very high | 96.1 | Very high | 69 Ų | 69 | 53.5 Ų | 53.5 | 35% | 0.354 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -59.4 | -47 | 178.2 | -64.3 | -60 | 0 | 0 | 0 | 111.1 | F522 A523 S528 V529 I530 | F522-I526 HydrophobicContact CD1-CG1 4.43Å; F522-I526 HydrophobicContact CD2-CG1 4.45Å; F522-I526 HydrophobicContact CE1-CG1 4.06Å; F522-I526 HydrophobicContact CE2-CD1 4.04Å; F522-I526 HydrophobicContact CE2-CG1 4.09Å; F522-I526 HydrophobicContact CZ-CD1 3.93Å; F522-I526 HydrophobicContact CZ-CG1 3.89Å; F522-I526 WeakPolarHBondContact O-CG1 3.45Å; F522-I526 PolarHBondContact O-N 2.88Å; A523-I526 PolarHBondContact O-N 2.88Å; I526-S528 VanDerWaalsContact C-N 3.31Å; I526-S528 PolarHBondContact O-N 3.39Å; I526-V529 PolarHBondContact O-N 3.39Å; I526-I530 HydrophobicContact CG2-CD1 3.81Å; I526-I530 HydrophobicContact CG2-CG1 4.47Å; I526-I530 WeakPolarHBondContact O-CG1 3.36Å; I526-I530 PolarHBondContact O-N 3.48Å |
| 527 | I | 96.4 | Very high | 95.9 | Very high | 37 Ų | 37 | 52.7 Ų | 52.7 | 19% | 0.19 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59 | -45.8 | 176.2 | -69.9 | 167.7 | 0 | 0 | 0 | 110.1 | M294 A523 L524 F525 V529 I530 V531 | M294-I527 HydrophobicContact CB-CG2 4.05Å; M294-I527 WeakPolarHBondContact O-CG2 3.33Å; A523-I527 WeakPolarHBondContact O-CB 3.24Å; A523-I527 WeakPolarHBondContact O-CG1 3.01Å; A523-I527 PolarHBondContact O-N 2.95Å; L524-I527 PolarHBondContact O-N 2.88Å; F525-I527 PolarHBondContact O-N 3.44Å; I527-V529 VanDerWaalsContact C-N 3.25Å; I527-V529 PolarHBondContact O-N 2.94Å; I527-I530 PolarHBondContact O-N 3.29Å; I527-I530 VanDerWaalsContact O-N 3.08Å; I527-V531 HydrophobicContact CG2-CG1 4.42Å; I527-V531 WeakPolarHBondContact O-CG2 3.45Å; I527-V531 PolarHBondContact O-N 3.28Å |
| 528 | S | 94.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -58.4 | -39.8 | 178.9 | 84.8 | 0 | 0 | 0 | 0 | 111.3 | R471 L524 F525 I526 Y532 | R471-S528 VanDerWaalsContact NH1-C 3.29Å; R471-S528 PolarHBondContact NH1-O 3.22Å; L524-S528 VanDerWaalsContact O-CB 3.26Å; L524-S528 WeakPolarHBondContact O-CB 3.37Å; L524-S528 PolarHBondContact O-N 3.31Å; F525-S528 WeakPolarHBondContact O-CB 3.26Å; F525-S528 PolarHBondContact O-N 3.22Å; F525-S528 VanDerWaalsContact O-N 3.15Å; F525-S528 PolarHBondContact O-OG 3.04Å; I526-S528 VanDerWaalsContact C-N 3.31Å; I526-S528 PolarHBondContact O-N 3.39Å; S528-Y532 PolarHBondContact O-N 3.04Å |
| 529 | V | 94 | Very high | 95.2 | Very high | 79 Ų | 79 | 59.4 Ų | 59.4 | 48% | 0.479 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -67.3 | -41.2 | 176.3 | 173.4 | 0 | 0 | 0 | 0 | 111.3 | F525 I526 I527 Y532 | F525-V529 HydrophobicContact CD2-CG2 4.4Å; F525-V529 HydrophobicContact CE1-CG2 4.28Å; F525-V529 HydrophobicContact CE2-CG2 3.91Å; F525-V529 HydrophobicContact CZ-CG2 3.85Å; F525-V529 WeakPolarHBondContact O-CG2 3.47Å; F525-V529 PolarHBondContact O-N 3.42Å; I526-V529 PolarHBondContact O-N 3.39Å; I527-V529 VanDerWaalsContact C-N 3.25Å; I527-V529 PolarHBondContact O-N 2.94Å; V529-Y532 WeakPolarHBondContact O-CB 3.35Å; V529-Y532 PolarHBondContact O-N 3.47Å |
| 530 | I | 95.9 | Very high | 94.4 | Very high | 105 Ų | 105 | 56.3 Ų | 56.3 | 54% | 0.538 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.6 | -41.6 | 178.6 | -68.8 | 166.7 | 0 | 0 | 0 | 111.6 | M294 I526 I527 Y532 | M294-I530 HydrophobicContact CE-CG2 3.93Å; I526-I530 HydrophobicContact CG2-CD1 3.81Å; I526-I530 HydrophobicContact CG2-CG1 4.47Å; I526-I530 WeakPolarHBondContact O-CG1 3.36Å; I526-I530 PolarHBondContact O-N 3.48Å; I527-I530 PolarHBondContact O-N 3.29Å; I527-I530 VanDerWaalsContact O-N 3.08Å; I530-Y532 VanDerWaalsContact C-N 3.27Å; I530-Y532 PolarHBondContact O-N 2.9Å |
| 531 | V | 94.5 | Very high | 93.7 | Very high | 30 Ų | 30 | 55.8 Ų | 55.8 | 18% | 0.182 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | 19.3 | -178.9 | -51.6 | 0 | 0 | 0 | 0 | 113.1 | M294 I527 E533 | M294-V531 HydrophobicContact CB-CG1 4.01Å; I527-V531 HydrophobicContact CG2-CG1 4.42Å; I527-V531 WeakPolarHBondContact O-CG2 3.45Å; I527-V531 PolarHBondContact O-N 3.28Å; V531-E533 PolarHBondContact O-N 3.42Å |
| 532 | Y | 92.9 | Very high | 93 | Very high | 62 Ų | 62 | 59 Ų | 59 | 24% | 0.243 | 30% | 0.303 | C | S | . | . | trans | -64.6 | 127.9 | 177.4 | 170.2 | -98.2 | 0 | 0 | 0 | 111.1 | Y466 Y467 S528 V529 I530 E534 W557 | Y466-Y532 HydrophobicContact CE1-CE2 4.05Å; Y467-Y532 PolarHBondContact OH-OH 2.74Å; Y467-Y532 VanDerWaalsContact OH-OH 3.1Å; S528-Y532 PolarHBondContact O-N 3.04Å; V529-Y532 WeakPolarHBondContact O-CB 3.35Å; V529-Y532 PolarHBondContact O-N 3.47Å; I530-Y532 VanDerWaalsContact C-N 3.27Å; I530-Y532 PolarHBondContact O-N 2.9Å; Y532-E534 HydrophobicContact CE1-CG 4.03Å; Y532-W557 HydrophobicContact CD2-CH2 4.5Å; Y532-W557 HydrophobicContact CD2-CZ2 4.17Å; Y532-W557 HydrophobicContact CE1-CZ2 4.19Å; Y532-W557 HydrophobicContact CE2-CH2 4.26Å; Y532-W557 AromaticContact CE2-CZ2 3.6Å; Y532-W557 HydrophobicContact CE2-CZ2 3.6Å; Y532-W557 AromaticContact CZ-CZ2 3.62Å; Y532-W557 PolarHBondContact OH-NE1 2.83Å | ||
| 533 | E | 92.6 | Very high | 92.2 | Very high | 150 Ų | 150 | 60.2 Ų | 60.2 | 70% | 0.701 | 31% | 0.31 | S | S | * | . | trans | -118.1 | 143.7 | 167.8 | -66.1 | -177.9 | 169 | 0 | 0 | 109 | Y466 V531 | Y466-E533 PolarHBondContact OH-O 3.01Å; V531-E533 PolarHBondContact O-N 3.42Å | ||
| 534 | E | 93.7 | Very high | 91.8 | Very high | 128 Ų | 128 | 64.6 Ų | 64.6 | 60% | 0.598 | 32% | 0.324 | S | S | * | . | trans | -63.4 | 144.8 | 175.6 | -70.7 | -171.6 | 178.7 | 0 | 0 | 111 | Y532 T536 | Y532-E534 HydrophobicContact CE1-CG 4.03Å; E534-T536 PolarHBondContact O-N 3.49Å | ||
| 535 | L | 94.3 | Very high | 91.6 | Very high | 10 Ų | 10 | 66.4 Ų | 66.4 | 5% | 0.052 | 34% | 0.335 | C | S | . | . | trans | -58.9 | 126.7 | 179.4 | 175.7 | 62 | 0 | 0 | 0 | 110.7 | Q462 L463 Y466 Y467 F548 | Q462-L535 HydrophobicContact CB-CD2 4.38Å; L463-L535 HydrophobicContact CB-CD2 4.49Å; L463-L535 HydrophobicContact CD1-CD2 4.16Å; Y466-L535 HydrophobicContact CD1-CB 3.82Å; Y466-L535 HydrophobicContact CD1-CD1 4.29Å; Y466-L535 HydrophobicContact CD1-CG 4.44Å; Y466-L535 HydrophobicContact CD2-CD1 3.87Å; Y466-L535 HydrophobicContact CE1-CB 4.1Å; Y466-L535 HydrophobicContact CG-CB 4.16Å; Y466-L535 HydrophobicContact CG-CD1 3.72Å; Y466-L535 HydrophobicContact CG-CD2 4.43Å; Y466-L535 HydrophobicContact CG-CG 4.3Å; Y467-L535 HydrophobicContact CE2-CB 4.14Å; Y467-L535 HydrophobicContact CE2-CD2 4.18Å; L535-F548 HydrophobicContact CB-CD2 4.35Å; L535-F548 HydrophobicContact CD2-CD1 4.42Å; L535-F548 HydrophobicContact CD2-CD2 3.95Å; L535-F548 HydrophobicContact CD2-CE1 4.15Å; L535-F548 HydrophobicContact CD2-CE2 3.67Å; L535-F548 HydrophobicContact CD2-CG 4.33Å; L535-F548 HydrophobicContact CD2-CZ 3.77Å; L535-F548 HydrophobicContact CG-CD2 3.78Å; L535-F548 HydrophobicContact CG-CE2 3.62Å; L535-F548 HydrophobicContact CG-CZ 4.23Å; L535-F548 WeakPolarHBondContact O-CD2 3.47Å | ||
| 536 | T | 95 | Very high | 91.6 | Very high | 70 Ų | 70 | 65.7 Ų | 65.7 | 43% | 0.429 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 153.6 | 169.4 | 61.5 | 0 | 0 | 0 | 0 | 110.1 | E534 Y546 R547 | E534-T536 PolarHBondContact O-N 3.49Å; T536-Y546 WeakPolarHBondContact CA-O 3.44Å; T536-R547 HydrophobicContact CG2-CG 4.27Å |
| 537 | Y | 94.3 | Very high | 91.5 | Very high | 17 Ų | 17 | 71.2 Ų | 71.2 | 7% | 0.067 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 111.8 | 175.8 | 175.5 | -127.8 | 0 | 0 | 0 | 110.7 | I212 M458 Y459 Q462 R539 Y546 | I212-Y537 HydrophobicContact CD1-CE1 3.82Å; M458-Y537 HydrophobicContact CE-CD2 4.37Å; M458-Y537 HydrophobicContact CE-CE2 3.54Å; M458-Y537 HydrophobicContact CG-CE1 3.89Å; M458-Y537 HydrophobicContact CG-CE2 4.44Å; Y459-Y537 HydrophobicContact CD1-CD1 4.14Å; Y459-Y537 AromaticContact CE1-CD1 3.75Å; Y459-Y537 HydrophobicContact CE1-CD1 3.75Å; Y459-Y537 HydrophobicContact CE1-CE1 4.38Å; Q462-Y537 HydrophobicContact CG-CD2 4.09Å; Q462-Y537 HydrophobicContact CG-CG 4.3Å; Y537-R539 HydrophobicContact CD1-CG 3.98Å; Y537-R539 HydrophobicContact CE1-CG 3.49Å; Y537-R539 VanDerWaalsContact CE1-CG 3.49Å; Y537-Y546 PolarHBondContact N-O 3.12Å; Y537-Y546 WeakPolarHBondContact O-CB 3.45Å; Y537-Y546 PolarHBondContact O-N 3.17Å |
| 538 | K | 91.1 | Very high | 91.6 | Very high | 120 Ų | 120 | 70 Ų | 70 | 52% | 0.522 | 34% | 0.341 | S | S | . | . | trans | -81.6 | 118.6 | 174.8 | -172.1 | -174.5 | 175.5 | -155.3 | 0 | 109.6 | E370 | E370-K538 IonicContact OE1-NZ 3.02Š| ||
| 539 | R | 89.5 | Confident | 91.7 | Very high | 27 Ų | 27 | 71.8 Ų | 71.8 | 10% | 0.102 | 35% | 0.353 | C | S | . | . | trans | -90.6 | 148.3 | 168.9 | -74.2 | -175.4 | -86.5 | -163.7 | -10 | 109.3 | S213 D214 Y459 Y537 I542 | S213-R539 PolarHBondContact O-NH1 3.07Å; D214-R539 PolarHBondContact O-NH2 3.49Å; Y459-R539 PolarHBondContact OH-NH1 2.59Å; Y459-R539 PolarHBondContact OH-NH2 3.39Å; Y537-R539 HydrophobicContact CD1-CG 3.98Å; Y537-R539 HydrophobicContact CE1-CG 3.49Å; Y537-R539 VanDerWaalsContact CE1-CG 3.49Å; R539-I542 HydrophobicContact CB-CB 4.34Å; R539-I542 HydrophobicContact CB-CG1 4.27Å; R539-I542 VanDerWaalsContact NE-CD1 3.32Å | ||
| 540 | A | 81.8 | Confident | 91.9 | Very high | 45 Ų | 45 | 70.5 Ų | 70.5 | 37% | 0.372 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -79.4 | -24.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | T202 E206 I378 | T202-A540 HydrophobicContact CG2-CB 3.46Å; T202-A540 VanDerWaalsContact CG2-CB 3.46Å; E206-A540 PolarHBondContact OE1-N 2.88Å; I378-A540 HydrophobicContact CD1-CB 4.31Å |
| 541 | S | 83.2 | Confident | 92 | Very high | 19 Ų | 19 | 71.8 Ų | 71.8 | 13% | 0.133 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -79.8 | -12 | 175.2 | 61.6 | 0 | 0 | 0 | 0 | 115.3 | E206 | E206-S541 PolarHBondContact OE1-N 2.82Å; E206-S541 WeakPolarHBondContact OE2-CB 3.48Å; E206-S541 PolarHBondContact OE2-OG 2.04Å |
| 542 | I | 84.3 | Confident | 92.1 | Very high | 67 Ų | 67 | 70.4 Ų | 70.4 | 34% | 0.344 | 35% | 0.345 | S | S | . | . | trans | -126.2 | 135 | -174.5 | -48.7 | -173.5 | 0 | 0 | 0 | 110 | R539 | R539-I542 HydrophobicContact CB-CB 4.34Å; R539-I542 HydrophobicContact CB-CG1 4.27Å; R539-I542 VanDerWaalsContact NE-CD1 3.32Å | ||
| 543 | H | 80.7 | Confident | 92.3 | Very high | 136 Ų | 136 | 68 Ų | 68 | 63% | 0.63 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -66.9 | -44.7 | 179.2 | -70.3 | -56.5 | 0 | 0 | 0 | 113.4 | I196 | I196-H543 VanDerWaalsContact CD1-CD2 3.44Å; I196-H543 WeakPolarHBondContact CD1-CD2 3.29Å; I196-H543 WeakPolarHBondContact CD1-NE2 3.44Å |
| 544 | E | 89.1 | Confident | 92.5 | Very high | 134 Ų | 134 | 65.8 Ų | 65.8 | 63% | 0.626 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -86.1 | 136.5 | -178.6 | -69.4 | -61.2 | 143.2 | 0 | 0 | 111.5 | ||
| 545 | P | 92.6 | Very high | 92.6 | Very high | 43 Ų | 43 | 62.4 Ų | 62.4 | 28% | 0.279 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -68.7 | 138.5 | 176 | 30.2 | -34.3 | 0 | 0 | 0 | 110.5 | R547 | P545-R547 PolarHBondContact O-N 2.99Š|
| 546 | Y | 95.5 | Very high | 92.7 | Very high | 32 Ų | 32 | 61.9 Ų | 61.9 | 13% | 0.125 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 125 | 173.1 | 175.6 | -92.3 | 0 | 0 | 0 | 109.9 | D214 G215 I216 Y459 T536 Y537 F548 | D214-Y546 WeakPolarHBondContact O-CE2 3.4Å; G215-Y546 WeakPolarHBondContact CA-OH 3.19Å; I216-Y546 WeakPolarHBondContact CG2-OH 3.35Å; I216-Y546 PolarHBondContact N-OH 3.43Å; I216-Y546 VanDerWaalsContact N-OH 3.07Å; Y459-Y546 AromaticContact CD1-CD1 3.67Å; Y459-Y546 HydrophobicContact CD1-CD1 3.67Å; Y459-Y546 AromaticContact CD1-CE1 3.58Å; Y459-Y546 HydrophobicContact CD1-CE1 3.58Å; Y459-Y546 HydrophobicContact CD1-CG 4.3Å; Y459-Y546 AromaticContact CE1-CD1 3.52Å; Y459-Y546 HydrophobicContact CE1-CD1 3.52Å; Y459-Y546 HydrophobicContact CE1-CD2 4.01Å; Y459-Y546 AromaticContact CE1-CE1 3.74Å; Y459-Y546 HydrophobicContact CE1-CE1 3.74Å; Y459-Y546 HydrophobicContact CE1-CE2 4.2Å; Y459-Y546 AromaticContact CE1-CG 3.67Å; Y459-Y546 HydrophobicContact CE1-CG 3.67Å; Y459-Y546 HydrophobicContact CG-CE1 4.48Å; T536-Y546 WeakPolarHBondContact CA-O 3.44Å; Y537-Y546 PolarHBondContact N-O 3.12Å; Y537-Y546 WeakPolarHBondContact O-CB 3.45Å; Y537-Y546 PolarHBondContact O-N 3.17Å; Y546-F548 AromaticContact CD1-CD2 3.93Å; Y546-F548 HydrophobicContact CD1-CD2 3.93Å; Y546-F548 AromaticContact CD1-CE2 3.9Å; Y546-F548 HydrophobicContact CD1-CE2 3.9Å; Y546-F548 HydrophobicContact CD1-CG 4.42Å; Y546-F548 HydrophobicContact CD1-CZ 4.37Å; Y546-F548 HydrophobicContact CE1-CD1 4.12Å; Y546-F548 AromaticContact CE1-CD2 3.92Å; Y546-F548 HydrophobicContact CE1-CD2 3.92Å; Y546-F548 HydrophobicContact CE1-CE1 4.28Å; Y546-F548 HydrophobicContact CE1-CE2 4.08Å; Y546-F548 AromaticContact CE1-CG 3.95Å; Y546-F548 HydrophobicContact CE1-CG 3.95Å; Y546-F548 HydrophobicContact CE1-CZ 4.26Å |
| 547 | R | 96.6 | Very high | 92.6 | Very high | 184 Ų | 184 | 63.5 Ų | 63.5 | 69% | 0.694 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 129.8 | 173.7 | -65.7 | -173.4 | 176.5 | 128.2 | 3.8 | 109.7 | T536 P545 | T536-R547 HydrophobicContact CG2-CG 4.27Å; P545-R547 PolarHBondContact O-N 2.99Å |
| 548 | F | 97.3 | Very high | 92.7 | Very high | 12 Ų | 12 | 68.5 Ų | 68.5 | 5% | 0.053 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -71.2 | 140.1 | -180 | -77 | -105.6 | 0 | 0 | 0 | 110.6 | I216 Y459 Q462 L463 L535 Y546 A552 V553 | I216-F548 HydrophobicContact CD1-CD1 4.29Å; I216-F548 HydrophobicContact CD1-CE1 4.19Å; Y459-F548 HydrophobicContact CD1-CE1 4.42Å; Y459-F548 HydrophobicContact CD1-CZ 4.08Å; Y459-F548 WeakPolarHBondContact O-CE1 3.45Å; Q462-F548 HydrophobicContact CB-CZ 4Å; L463-F548 HydrophobicContact CB-CE1 4.46Å; L463-F548 HydrophobicContact CD1-CD1 4.43Å; L535-F548 HydrophobicContact CB-CD2 4.35Å; L535-F548 HydrophobicContact CD2-CD1 4.42Å; L535-F548 HydrophobicContact CD2-CD2 3.95Å; L535-F548 HydrophobicContact CD2-CE1 4.15Å; L535-F548 HydrophobicContact CD2-CE2 3.67Å; L535-F548 HydrophobicContact CD2-CG 4.33Å; L535-F548 HydrophobicContact CD2-CZ 3.77Å; L535-F548 HydrophobicContact CG-CD2 3.78Å; L535-F548 HydrophobicContact CG-CE2 3.62Å; L535-F548 HydrophobicContact CG-CZ 4.23Å; L535-F548 WeakPolarHBondContact O-CD2 3.47Å; Y546-F548 AromaticContact CD1-CD2 3.93Å; Y546-F548 HydrophobicContact CD1-CD2 3.93Å; Y546-F548 AromaticContact CD1-CE2 3.9Å; Y546-F548 HydrophobicContact CD1-CE2 3.9Å; Y546-F548 HydrophobicContact CD1-CG 4.42Å; Y546-F548 HydrophobicContact CD1-CZ 4.37Å; Y546-F548 HydrophobicContact CE1-CD1 4.12Å; Y546-F548 AromaticContact CE1-CD2 3.92Å; Y546-F548 HydrophobicContact CE1-CD2 3.92Å; Y546-F548 HydrophobicContact CE1-CE1 4.28Å; Y546-F548 HydrophobicContact CE1-CE2 4.08Å; Y546-F548 AromaticContact CE1-CG 3.95Å; Y546-F548 HydrophobicContact CE1-CG 3.95Å; Y546-F548 HydrophobicContact CE1-CZ 4.26Å; F548-A552 HydrophobicContact CB-CB 4.36Å; F548-A552 HydrophobicContact CD1-CB 4.14Å; F548-V553 HydrophobicContact CB-CG2 4.13Å |
| 549 | P | 97.4 | Very high | 92.8 | Very high | 38 Ų | 38 | 64.2 Ų | 64.2 | 25% | 0.247 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 151.1 | 175.5 | 28.5 | -35.1 | 0 | 0 | 0 | 110.5 | I216 W551 A552 V553 | I216-P549 HydrophobicContact CG2-CG 3.72Å; P549-W551 HydrophobicContact CG-CD2 4.33Å; P549-W551 HydrophobicContact CG-CG 4.45Å; P549-W551 HydrophobicContact CG-CZ2 4.03Å; P549-W551 VanDerWaalsContact CG-NE1 3.29Å; P549-W551 PolarHBondContact O-N 3.1Å; P549-W551 VanDerWaalsContact O-N 3.08Å; P549-A552 HydrophobicContact CG-CB 3.93Å; P549-A552 WeakPolarHBondContact O-CA 3.22Å; P549-A552 WeakPolarHBondContact O-CB 3.45Å; P549-A552 PolarHBondContact O-N 2.93Å; P549-V553 PolarHBondContact O-N 3.22Å |
| 550 | G | 97.2 | Very high | 93 | Very high | 51 Ų | 51 | 63.1 Ų | 63.1 | 53% | 0.526 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -56.3 | -31.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | A552 V553 N554 | G550-A552 VanDerWaalsContact C-N 3.34Å; G550-A552 PolarHBondContact O-N 3.3Å; G550-V553 PolarHBondContact O-N 2.82Å; G550-N554 PolarHBondContact O-N 3.03Å; G550-N554 PolarHBondContact O-ND2 3.11Å |
| 551 | W | 97.5 | Very high | 93.5 | Very high | 133 Ų | 133 | 63.2 Ų | 63.2 | 50% | 0.504 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -65 | -36.6 | 174.1 | 69.7 | -102.5 | 0 | 0 | 0 | 112.5 | I216 P549 N554 V555 | I216-W551 HydrophobicContact CD1-CH2 4.1Å; I216-W551 HydrophobicContact CG1-CH2 4.05Å; I216-W551 HydrophobicContact CG2-CH2 3.84Å; I216-W551 HydrophobicContact CG2-CZ2 3.61Å; P549-W551 HydrophobicContact CG-CD2 4.33Å; P549-W551 HydrophobicContact CG-CG 4.45Å; P549-W551 HydrophobicContact CG-CZ2 4.03Å; P549-W551 VanDerWaalsContact CG-NE1 3.29Å; P549-W551 PolarHBondContact O-N 3.1Å; P549-W551 VanDerWaalsContact O-N 3.08Å; W551-N554 PolarHBondContact O-N 2.89Å; W551-V555 HydrophobicContact CE3-CG2 4.25Å; W551-V555 WeakPolarHBondContact O-CG2 3.36Å; W551-V555 PolarHBondContact O-N 3.13Å |
| 552 | A | 97.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -71.7 | -39.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | I216 L463 F548 P549 G550 N554 V555 G556 | I216-A552 HydrophobicContact CD1-CB 4.07Å; I216-A552 HydrophobicContact CG2-CB 4.22Å; L463-A552 VanDerWaalsContact CD1-O 3.31Å; L463-A552 WeakPolarHBondContact CD1-O 3.29Å; F548-A552 HydrophobicContact CB-CB 4.36Å; F548-A552 HydrophobicContact CD1-CB 4.14Å; P549-A552 HydrophobicContact CG-CB 3.93Å; P549-A552 WeakPolarHBondContact O-CA 3.22Å; P549-A552 WeakPolarHBondContact O-CB 3.45Å; P549-A552 PolarHBondContact O-N 2.93Å; G550-A552 VanDerWaalsContact C-N 3.34Å; G550-A552 PolarHBondContact O-N 3.3Å; A552-N554 VanDerWaalsContact C-N 3.33Å; A552-N554 PolarHBondContact O-N 2.98Å; A552-V555 PolarHBondContact O-N 3.45Å; A552-G556 PolarHBondContact O-N 3.24Å |
| 553 | V | 96.7 | Very high | 94.6 | Very high | 12 Ų | 12 | 61.1 Ų | 61.1 | 7% | 0.073 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58.3 | -45.4 | 171.4 | 175.5 | 0 | 0 | 0 | 0 | 110.8 | F548 P549 G550 V555 G556 W557 | F548-V553 HydrophobicContact CB-CG2 4.13Å; P549-V553 PolarHBondContact O-N 3.22Å; G550-V553 PolarHBondContact O-N 2.82Å; V553-V555 PolarHBondContact O-N 2.87Å; V553-G556 PolarHBondContact O-N 3.5Å; V553-G556 VanDerWaalsContact O-N 3.15Å; V553-W557 PolarHBondContact O-N 3.48Å |
| 554 | N | 97 | Very high | 95.2 | Very high | 103 Ų | 103 | 56.2 Ų | 56.2 | 55% | 0.551 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -61.9 | -41.3 | 175.7 | -69.1 | -17.7 | 0 | 0 | 0 | 112.4 | G550 W551 A552 G556 W557 L558 | G550-N554 PolarHBondContact O-N 3.03Å; G550-N554 PolarHBondContact O-ND2 3.11Å; W551-N554 PolarHBondContact O-N 2.89Å; A552-N554 VanDerWaalsContact C-N 3.33Å; A552-N554 PolarHBondContact O-N 2.98Å; N554-G556 VanDerWaalsContact C-N 3.32Å; N554-G556 PolarHBondContact O-N 2.62Å; N554-W557 PolarHBondContact O-N 3.01Å; N554-L558 WeakPolarHBondContact O-CG 3.46Å; N554-L558 PolarHBondContact O-N 3.01Å |
| 555 | V | 96.1 | Very high | 95.6 | Very high | 57 Ų | 57 | 54.9 Ų | 54.9 | 35% | 0.345 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.7 | -42.2 | 173.3 | 169.8 | 0 | 0 | 0 | 0 | 111 | L463 W551 A552 V553 W557 L558 I559 | L463-V555 HydrophobicContact CD2-CB 4.4Å; L463-V555 HydrophobicContact CD2-CG1 4.02Å; W551-V555 HydrophobicContact CE3-CG2 4.25Å; W551-V555 WeakPolarHBondContact O-CG2 3.36Å; W551-V555 PolarHBondContact O-N 3.13Å; A552-V555 PolarHBondContact O-N 3.45Å; V553-V555 PolarHBondContact O-N 2.87Å; V555-W557 PolarHBondContact O-N 3.06Å; V555-L558 WeakPolarHBondContact O-CB 3.26Å; V555-L558 PolarHBondContact O-N 2.95Å; V555-I559 HydrophobicContact CG1-CD1 3.96Å; V555-I559 WeakPolarHBondContact O-CG1 3.33Å; V555-I559 PolarHBondContact O-N 2.92Å |
| 556 | G | 95.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -56.4 | -48.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y467 A552 V553 N554 L558 I559 A560 | Y467-G556 WeakPolarHBondContact CB-O 3.43Å; Y467-G556 VanDerWaalsContact CG-CA 3.49Å; A552-G556 PolarHBondContact O-N 3.24Å; V553-G556 PolarHBondContact O-N 3.5Å; V553-G556 VanDerWaalsContact O-N 3.15Å; N554-G556 VanDerWaalsContact C-N 3.32Å; N554-G556 PolarHBondContact O-N 2.62Å; G556-L558 VanDerWaalsContact C-N 3.34Å; G556-L558 PolarHBondContact O-N 3.17Å; G556-I559 WeakPolarHBondContact O-CB 3.21Å; G556-I559 PolarHBondContact O-N 3.41Å; G556-A560 PolarHBondContact O-N 3.5Å |
| 557 | W | 94.5 | Very high | 95.9 | Very high | 103 Ų | 103 | 53.5 Ų | 53.5 | 39% | 0.39 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -65.6 | -32.9 | 176.3 | -77.8 | 113.3 | 0 | 0 | 0 | 113.7 | Y467 Y532 V553 N554 V555 A560 S561 | Y467-W557 HydrophobicContact CD1-CD2 4.44Å; Y467-W557 HydrophobicContact CE1-CD2 4.08Å; Y467-W557 AromaticContact CE1-CE2 3.89Å; Y467-W557 HydrophobicContact CE1-CG 4.2Å; Y467-W557 HydrophobicContact CE1-CZ2 4.4Å; Y467-W557 AromaticContact CE1-NE1 3.84Å; Y532-W557 HydrophobicContact CD2-CH2 4.5Å; Y532-W557 HydrophobicContact CD2-CZ2 4.17Å; Y532-W557 HydrophobicContact CE1-CZ2 4.19Å; Y532-W557 HydrophobicContact CE2-CH2 4.26Å; Y532-W557 AromaticContact CE2-CZ2 3.6Å; Y532-W557 HydrophobicContact CE2-CZ2 3.6Å; Y532-W557 AromaticContact CZ-CZ2 3.62Å; Y532-W557 PolarHBondContact OH-NE1 2.83Å; V553-W557 PolarHBondContact O-N 3.48Å; N554-W557 PolarHBondContact O-N 3.01Å; V555-W557 PolarHBondContact O-N 3.06Å; W557-A560 HydrophobicContact CE3-CB 4.4Å; W557-A560 PolarHBondContact O-N 3.1Å; W557-S561 VanDerWaalsContact O-CB 3.23Å; W557-S561 WeakPolarHBondContact O-CB 3.11Å; W557-S561 PolarHBondContact O-N 3.01Å; W557-S561 PolarHBondContact O-OG 2.88Å |
| 558 | L | 95.3 | Very high | 95.9 | Very high | 123 Ų | 123 | 47.4 Ų | 47.4 | 64% | 0.644 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -64.8 | -43.1 | 172 | -73.3 | 171.1 | 0 | 0 | 0 | 111.5 | N554 V555 G556 S561 S562 | N554-L558 WeakPolarHBondContact O-CG 3.46Å; N554-L558 PolarHBondContact O-N 3.01Å; V555-L558 WeakPolarHBondContact O-CB 3.26Å; V555-L558 PolarHBondContact O-N 2.95Å; G556-L558 VanDerWaalsContact C-N 3.34Å; G556-L558 PolarHBondContact O-N 3.17Å; L558-S561 PolarHBondContact O-N 3.46Å; L558-S562 WeakPolarHBondContact O-CB 3.39Å; L558-S562 PolarHBondContact O-N 3.45Å |
| 559 | I | 93.9 | Very high | 96 | Very high | 29 Ų | 29 | 51.1 Ų | 51.1 | 15% | 0.149 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.5 | -50.4 | 174.8 | -67.8 | 163.2 | 0 | 0 | 0 | 109.9 | F133 L464 V555 G556 S561 S562 | F133-I559 HydrophobicContact CD2-CG2 4.1Å; F133-I559 HydrophobicContact CE1-CG2 4.45Å; F133-I559 HydrophobicContact CE2-CG2 3.88Å; F133-I559 HydrophobicContact CG-CG2 4.48Å; F133-I559 HydrophobicContact CZ-CG2 4.08Å; L464-I559 HydrophobicContact CD2-CD1 3.96Å; L464-I559 HydrophobicContact CD2-CG2 4.34Å; V555-I559 HydrophobicContact CG1-CD1 3.96Å; V555-I559 WeakPolarHBondContact O-CG1 3.33Å; V555-I559 PolarHBondContact O-N 2.92Å; G556-I559 WeakPolarHBondContact O-CB 3.21Å; G556-I559 PolarHBondContact O-N 3.41Å; I559-S561 VanDerWaalsContact C-N 3.33Å; I559-S561 PolarHBondContact O-N 2.82Å; I559-S562 PolarHBondContact O-N 2.79Å; I559-S562 PolarHBondContact O-OG 2.66Å |
| 560 | A | 92.8 | Very high | 96 | Very high | 4 Ų | 4 | 50 Ų | 50 | 3% | 0.033 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.4 | -45.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y467 I472 G556 W557 | Y467-A560 WeakPolarHBondContact O-CB 3.19Å; I472-A560 HydrophobicContact CD1-CB 3.98Å; I472-A560 HydrophobicContact CG1-CB 3.9Å; G556-A560 PolarHBondContact O-N 3.5Å; W557-A560 HydrophobicContact CE3-CB 4.4Å; W557-A560 PolarHBondContact O-N 3.1Å |
| 561 | S | 93.8 | Very high | 96.1 | Very high | 48 Ų | 48 | 49.9 Ų | 49.9 | 34% | 0.336 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -70.8 | -31 | -179.2 | -57.1 | 0 | 0 | 0 | 0 | 112.4 | W557 L558 I559 S563 V564 L565 | W557-S561 VanDerWaalsContact O-CB 3.23Å; W557-S561 WeakPolarHBondContact O-CB 3.11Å; W557-S561 PolarHBondContact O-N 3.01Å; W557-S561 PolarHBondContact O-OG 2.88Å; L558-S561 PolarHBondContact O-N 3.46Å; I559-S561 VanDerWaalsContact C-N 3.33Å; I559-S561 PolarHBondContact O-N 2.82Å; S561-S563 VanDerWaalsContact C-N 3.25Å; S561-S563 PolarHBondContact O-N 2.99Å; S561-V564 PolarHBondContact O-N 3.38Å; S561-L565 VanDerWaalsContact O-CB 3.31Å; S561-L565 WeakPolarHBondContact O-CB 3.36Å; S561-L565 WeakPolarHBondContact O-CG 3.47Å; S561-L565 PolarHBondContact O-N 3.35Å |
| 562 | S | 95.3 | Very high | 96.1 | Very high | 41 Ų | 41 | 47.6 Ų | 47.6 | 29% | 0.287 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -56.2 | -39.5 | -177.3 | 72.1 | 0 | 0 | 0 | 0 | 112.6 | L558 I559 L566 | L558-S562 WeakPolarHBondContact O-CB 3.39Å; L558-S562 PolarHBondContact O-N 3.45Å; I559-S562 PolarHBondContact O-N 2.79Å; I559-S562 PolarHBondContact O-OG 2.66Å; S562-L566 WeakPolarHBondContact O-CG 3.26Å |
| 563 | S | 95 | Very high | 96.1 | Very high | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.007 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -71.7 | -46.8 | 176.8 | -58.1 | 0 | 0 | 0 | 0 | 112.7 | A126 S561 L565 L566 | A126-S563 WeakPolarHBondContact CB-O 3.26Å; S561-S563 VanDerWaalsContact C-N 3.25Å; S561-S563 PolarHBondContact O-N 2.99Å; S563-L565 PolarHBondContact O-N 3.32Å; S563-L566 WeakPolarHBondContact O-CB 3.47Å; S563-L566 PolarHBondContact O-N 3.43Å |
| 564 | V | 93.3 | Very high | 96.2 | Very high | 33 Ų | 33 | 53.2 Ų | 53.2 | 20% | 0.2 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.3 | -38.4 | -177.6 | 179.6 | 0 | 0 | 0 | 0 | 111.7 | I472 I475 S561 L566 I567 P568 | I472-V564 HydrophobicContact CB-CG2 4.32Å; I472-V564 HydrophobicContact CD1-CG2 3.75Å; I472-V564 HydrophobicContact CG1-CG2 4.41Å; I472-V564 HydrophobicContact CG2-CG2 3.36Å; I475-V564 HydrophobicContact CD1-CG1 4.41Å; I475-V564 HydrophobicContact CD1-CG2 4.06Å; I475-V564 HydrophobicContact CG2-CG1 4.35Å; S561-V564 PolarHBondContact O-N 3.38Å; V564-L566 PolarHBondContact O-N 2.77Å; V564-I567 WeakPolarHBondContact O-CB 3.34Å; V564-I567 WeakPolarHBondContact O-CG1 3.35Å; V564-I567 PolarHBondContact O-N 3.23Å; V564-P568 VanDerWaalsContact O-CD 3.22Å; V564-P568 WeakPolarHBondContact O-CD 3.31Å |
| 565 | L | 96 | Very high | 96.2 | Very high | 105 Ų | 105 | 49.4 Ų | 49.4 | 55% | 0.55 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.7 | -21 | -178.8 | -72.4 | 173.3 | 0 | 0 | 0 | 112.9 | S561 S563 I567 P568 L569 | S561-L565 VanDerWaalsContact O-CB 3.31Å; S561-L565 WeakPolarHBondContact O-CB 3.36Å; S561-L565 WeakPolarHBondContact O-CG 3.47Å; S561-L565 PolarHBondContact O-N 3.35Å; S563-L565 PolarHBondContact O-N 3.32Å; L565-I567 PolarHBondContact O-N 2.94Å; L565-P568 VanDerWaalsContact O-CD 3.28Å; L565-P568 WeakPolarHBondContact O-CD 3.3Å; L565-P568 WeakPolarHBondContact O-CG 3.19Å; L565-L569 WeakPolarHBondContact O-CB 3.46Å; L565-L569 PolarHBondContact O-N 3.5Å |
| 566 | L | 97.1 | Very high | 96.2 | Very high | 39 Ų | 39 | 54 Ų | 54 | 20% | 0.204 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.9 | -28.8 | 172.9 | -66.1 | 169.7 | 0 | 0 | 0 | 112.3 | L129 S562 S563 V564 L569 V570 | L129-L566 HydrophobicContact CB-CD1 4.04Å; L129-L566 HydrophobicContact CD2-CD1 3.73Å; S562-L566 WeakPolarHBondContact O-CG 3.26Å; S563-L566 WeakPolarHBondContact O-CB 3.47Å; S563-L566 PolarHBondContact O-N 3.43Å; V564-L566 PolarHBondContact O-N 2.77Å; L566-L569 HydrophobicContact CD2-CD2 4.4Å; L566-V570 VanDerWaalsContact O-CB 3.27Å; L566-V570 WeakPolarHBondContact O-CB 3.47Å; L566-V570 WeakPolarHBondContact O-CG2 3.21Å; L566-V570 PolarHBondContact O-N 3.19Å |
| 567 | I | 97.6 | Very high | 96.3 | Very high | 7 Ų | 7 | 60.5 Ų | 60.5 | 4% | 0.036 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.7 | -61.4 | 179.4 | -54.2 | 178.4 | 0 | 0 | 0 | 111.2 | I123 A126 L479 V564 L565 M571 | I123-I567 HydrophobicContact CG1-CD1 4.22Å; I123-I567 HydrophobicContact CG1-CG1 4.46Å; I123-I567 HydrophobicContact CG1-CG2 4.35Å; A126-I567 HydrophobicContact CB-CD1 4.22Å; A126-I567 HydrophobicContact CB-CG1 4Å; L479-I567 HydrophobicContact CD1-CD1 3.48Å; L479-I567 VanDerWaalsContact CD1-CD1 3.48Å; L479-I567 HydrophobicContact CD1-CG2 4.12Å; V564-I567 WeakPolarHBondContact O-CB 3.34Å; V564-I567 WeakPolarHBondContact O-CG1 3.35Å; V564-I567 PolarHBondContact O-N 3.23Å; L565-I567 PolarHBondContact O-N 2.94Å; I567-M571 WeakPolarHBondContact O-CB 3.31Å; I567-M571 PolarHBondContact O-N 3.46Å; I567-M571 VanDerWaalsContact O-N 3.14Å |
| 568 | P | 97.8 | Very high | 96.4 | Very high | 56 Ų | 56 | 56.9 Ų | 56.9 | 36% | 0.364 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -67.4 | -33.7 | 176.1 | 27.2 | -34.7 | 0 | 0 | 0 | 112.7 | V564 L565 M571 I572 | V564-P568 VanDerWaalsContact O-CD 3.22Å; V564-P568 WeakPolarHBondContact O-CD 3.31Å; L565-P568 VanDerWaalsContact O-CD 3.28Å; L565-P568 WeakPolarHBondContact O-CD 3.3Å; L565-P568 WeakPolarHBondContact O-CG 3.19Å; P568-M571 WeakPolarHBondContact O-CB 3.38Å; P568-M571 PolarHBondContact O-N 3.3Å; P568-I572 WeakPolarHBondContact O-CB 3.47Å; P568-I572 VanDerWaalsContact O-CG1 3.23Å; P568-I572 WeakPolarHBondContact O-CG1 3.15Å; P568-I572 PolarHBondContact O-N 2.7Å |
| 569 | L | 98.1 | Very high | 96.4 | Very high | 91 Ų | 91 | 56.1 Ų | 56.1 | 48% | 0.476 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.9 | -50.6 | 179 | 178.5 | 64 | 0 | 0 | 0 | 111.6 | L565 L566 M571 I572 I573 | L565-L569 WeakPolarHBondContact O-CB 3.46Å; L565-L569 PolarHBondContact O-N 3.5Å; L566-L569 HydrophobicContact CD2-CD2 4.4Å; L569-M571 VanDerWaalsContact C-N 3.33Å; L569-M571 PolarHBondContact O-N 3.22Å; L569-I572 PolarHBondContact O-N 3.28Å; L569-I573 HydrophobicContact CD1-CD1 4.12Å; L569-I573 HydrophobicContact CG-CD1 3.98Å; L569-I573 VanDerWaalsContact O-CG1 3.31Å; L569-I573 WeakPolarHBondContact O-CG1 3.43Å; L569-I573 PolarHBondContact O-N 3.13Å |
| 570 | V | 98 | Very high | 96.4 | Very high | 15 Ų | 15 | 56.5 Ų | 56.5 | 9% | 0.091 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.6 | -38.4 | 178.2 | 173 | 0 | 0 | 0 | 0 | 110.8 | Q121 Y125 L566 I572 I573 K574 | Q121-V570 HydrophobicContact CB-CG1 4.22Å; Y125-V570 HydrophobicContact CD2-CG1 4.42Å; Y125-V570 HydrophobicContact CD2-CG2 3.84Å; Y125-V570 HydrophobicContact CE2-CG1 4.37Å; Y125-V570 HydrophobicContact CE2-CG2 4.13Å; Y125-V570 HydrophobicContact CG-CG2 4.39Å; L566-V570 VanDerWaalsContact O-CB 3.27Å; L566-V570 WeakPolarHBondContact O-CB 3.47Å; L566-V570 WeakPolarHBondContact O-CG2 3.21Å; L566-V570 PolarHBondContact O-N 3.19Å; V570-I572 PolarHBondContact O-N 2.97Å; V570-I573 PolarHBondContact O-N 3.03Å; V570-K574 HydrophobicContact CG1-CG 4.17Å; V570-K574 WeakPolarHBondContact O-CB 3.22Å; V570-K574 VanDerWaalsContact O-CG 3.28Å; V570-K574 WeakPolarHBondContact O-CG 3.21Å; V570-K574 PolarHBondContact O-N 3.37Å |
| 571 | M | 98.4 | Very high | 96.6 | Very high | 47 Ų | 47 | 60.1 Ų | 60.1 | 23% | 0.232 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -56 | -49.2 | 173.9 | -176.6 | -174 | -65.8 | 0 | 0 | 111.4 | L119 F120 I567 P568 L569 K574 I575 | L119-M571 HydrophobicContact CD1-CG 3.59Å; L119-M571 HydrophobicContact CD1-SD 4.46Å; L119-M571 HydrophobicContact CG-CE 4.4Å; L119-M571 HydrophobicContact CG-CG 4.03Å; F120-M571 HydrophobicContact CD1-CE 3.95Å; F120-M571 HydrophobicContact CE1-CE 3.55Å; F120-M571 HydrophobicContact CE2-CE 4.39Å; F120-M571 HydrophobicContact CZ-CE 3.8Å; I567-M571 WeakPolarHBondContact O-CB 3.31Å; I567-M571 PolarHBondContact O-N 3.46Å; I567-M571 VanDerWaalsContact O-N 3.14Å; P568-M571 WeakPolarHBondContact O-CB 3.38Å; P568-M571 PolarHBondContact O-N 3.3Å; L569-M571 VanDerWaalsContact C-N 3.33Å; L569-M571 PolarHBondContact O-N 3.22Å; M571-K574 PolarHBondContact O-N 3.43Å; M571-I575 HydrophobicContact CG-CD1 4.05Å; M571-I575 VanDerWaalsContact O-CG1 3.26Å; M571-I575 WeakPolarHBondContact O-CG1 3.33Å; M571-I575 PolarHBondContact O-N 2.81Å |
| 572 | I | 98.2 | Very high | 96.7 | Very high | 86 Ų | 86 | 64.3 Ų | 64.3 | 44% | 0.441 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.3 | -47.4 | 178.5 | -69.9 | 166.3 | 0 | 0 | 0 | 110.8 | P568 L569 V570 K574 I575 F576 | P568-I572 WeakPolarHBondContact O-CB 3.47Å; P568-I572 VanDerWaalsContact O-CG1 3.23Å; P568-I572 WeakPolarHBondContact O-CG1 3.15Å; P568-I572 PolarHBondContact O-N 2.7Å; L569-I572 PolarHBondContact O-N 3.28Å; V570-I572 PolarHBondContact O-N 2.97Å; I572-K574 PolarHBondContact O-N 2.64Å; I572-I575 PolarHBondContact O-N 3.47Å; I572-F576 HydrophobicContact CG2-CD2 3.6Å; I572-F576 HydrophobicContact CG2-CE2 3.43Å; I572-F576 VanDerWaalsContact CG2-CE2 3.43Å; I572-F576 WeakPolarHBondContact O-CD2 3.34Å; I572-F576 PolarHBondContact O-N 3.11Å |
| 573 | I | 98.2 | Very high | 96.7 | Very high | 75 Ų | 75 | 67.6 Ų | 67.6 | 39% | 0.385 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -57.8 | -47.7 | 178.5 | -69.5 | 167.2 | 0 | 0 | 0 | 110.9 | L569 V570 I575 F576 Q577 | L569-I573 HydrophobicContact CD1-CD1 4.12Å; L569-I573 HydrophobicContact CG-CD1 3.98Å; L569-I573 VanDerWaalsContact O-CG1 3.31Å; L569-I573 WeakPolarHBondContact O-CG1 3.43Å; L569-I573 PolarHBondContact O-N 3.13Å; V570-I573 PolarHBondContact O-N 3.03Å; I573-I575 PolarHBondContact O-N 3Å; I573-F576 PolarHBondContact O-N 3.47Å; I573-Q577 HydrophobicContact CG2-CG 4.37Å; I573-Q577 WeakPolarHBondContact O-CG 3.26Å; I573-Q577 PolarHBondContact O-N 3.15Å |
| 574 | K | 97.4 | Very high | 96.8 | Very high | 55 Ų | 55 | 72.6 Ų | 72.6 | 24% | 0.239 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -63.2 | -40.6 | 179.5 | -71.5 | -72.3 | -173 | 171.7 | 0 | 112.2 | V570 M571 I572 F576 Q577 T578 L589 | V570-K574 HydrophobicContact CG1-CG 4.17Å; V570-K574 WeakPolarHBondContact O-CB 3.22Å; V570-K574 VanDerWaalsContact O-CG 3.28Å; V570-K574 WeakPolarHBondContact O-CG 3.21Å; V570-K574 PolarHBondContact O-N 3.37Å; M571-K574 PolarHBondContact O-N 3.43Å; I572-K574 PolarHBondContact O-N 2.64Å; K574-F576 VanDerWaalsContact C-N 3.31Å; K574-F576 PolarHBondContact O-N 2.82Å; K574-Q577 PolarHBondContact O-N 3.32Å; K574-T578 WeakPolarHBondContact O-CB 3.2Å; K574-T578 PolarHBondContact O-N 3.05Å; K574-T578 PolarHBondContact O-OG1 3.47Å; K574-L589 HydrophobicContact CB-CD1 3.9Å; K574-L589 HydrophobicContact CB-CD2 3.99Å |
| 575 | I | 97.8 | Very high | 97 | Very high | 22 Ų | 22 | 74 Ų | 74 | 11% | 0.113 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -60.9 | -41.9 | 174.9 | -69.6 | 166.7 | 0 | 0 | 0 | 110.5 | L119 M571 I572 I573 F582 R585 I586 L589 | L119-I575 HydrophobicContact CD1-CD1 4.04Å; L119-I575 HydrophobicContact CD1-CG1 3.99Å; M571-I575 HydrophobicContact CG-CD1 4.05Å; M571-I575 VanDerWaalsContact O-CG1 3.26Å; M571-I575 WeakPolarHBondContact O-CG1 3.33Å; M571-I575 PolarHBondContact O-N 2.81Å; I572-I575 PolarHBondContact O-N 3.47Å; I573-I575 PolarHBondContact O-N 3Å; I575-F582 HydrophobicContact CG2-CD2 4.13Å; I575-F582 HydrophobicContact CG2-CE2 4.03Å; I575-R585 VanDerWaalsContact O-CD 3.32Å; I575-R585 WeakPolarHBondContact O-CD 3.43Å; I575-R585 PolarHBondContact O-NH1 2.72Å; I575-I586 HydrophobicContact CD1-CG1 4.49Å; I575-L589 HydrophobicContact CG1-CD1 3.86Å |
| 576 | F | 97.1 | Very high | 97 | Very high | 153 Ų | 153 | 71.6 Ų | 71.6 | 67% | 0.671 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -69.3 | -34.8 | 177.8 | -78.9 | -63.6 | 0 | 0 | 0 | 113.4 | I572 I573 K574 | I572-F576 HydrophobicContact CG2-CD2 3.6Å; I572-F576 HydrophobicContact CG2-CE2 3.43Å; I572-F576 VanDerWaalsContact CG2-CE2 3.43Å; I572-F576 WeakPolarHBondContact O-CD2 3.34Å; I572-F576 PolarHBondContact O-N 3.11Å; I573-F576 PolarHBondContact O-N 3.47Å; K574-F576 VanDerWaalsContact C-N 3.31Å; K574-F576 PolarHBondContact O-N 2.82Å |
| 577 | Q | 96.2 | Very high | 97 | Very high | 138 Ų | 138 | 76.6 Ų | 76.6 | 65% | 0.645 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -76.5 | -19.8 | 178.5 | -71.6 | 176.4 | -18.7 | 0 | 0 | 114.1 | I573 K574 | I573-Q577 HydrophobicContact CG2-CG 4.37Å; I573-Q577 WeakPolarHBondContact O-CG 3.26Å; I573-Q577 PolarHBondContact O-N 3.15Å; K574-Q577 PolarHBondContact O-N 3.32Å |
| 578 | T | 96.6 | Very high | 97 | Very high | 26 Ų | 26 | 79.8 Ų | 79.8 | 16% | 0.16 | 41% | 0.414 | C | S | . | . | S | Bend | trans | -84.6 | 131.9 | -179 | -54.6 | 0 | 0 | 0 | 0 | 110.7 | K574 R585 T588 | K574-T578 WeakPolarHBondContact O-CB 3.2Å; K574-T578 PolarHBondContact O-N 3.05Å; K574-T578 PolarHBondContact O-OG1 3.47Å; T578-R585 HydrophobicContact CG2-CB 4.13Å; T578-R585 HydrophobicContact CG2-CG 4.05Å; T578-R585 WeakPolarHBondContact O-CD 3.31Å; T578-R585 VanDerWaalsContact O-CG 3.29Å; T578-R585 WeakPolarHBondContact O-CG 3.46Å; T578-R585 PolarHBondContact O-NE 2.84Å; T578-R585 PolarHBondContact O-NH1 3.28Å; T578-T588 HydrophobicContact CG2-CG2 4.12Å |
| 579 | S | 94.9 | Very high | 97 | Very high | 107 Ų | 107 | 77.6 Ų | 77.6 | 75% | 0.748 | 40% | 0.399 | S | S | * | . | trans | -74.1 | 155.2 | 176.6 | -62.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 580 | G | 95.6 | Very high | 96.9 | Very high | 38 Ų | 38 | 74.9 Ų | 74.9 | 39% | 0.392 | 39% | 0.387 | S | S | . | . | S | Bend | trans | 108.1 | -170.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | R585 | G580-R585 PolarHBondContact O-NE 3.09Å; G580-R585 PolarHBondContact O-NH2 2.97Å |
| 581 | T | 95.7 | Very high | 96.8 | Very high | 80 Ų | 80 | 79 Ų | 79 | 49% | 0.491 | 41% | 0.408 | S | S | . | . | trans | -74.4 | 162.2 | 174.7 | 67.8 | 0 | 0 | 0 | 0 | 111.6 | I583 Q584 R585 | T581-I583 VanDerWaalsContact C-N 3.3Å; T581-I583 PolarHBondContact O-N 3.06Å; T581-Q584 WeakPolarHBondContact O-CB 3.35Å; T581-Q584 PolarHBondContact O-N 3.46Å; T581-Q584 VanDerWaalsContact OG1-CG 3.29Å; T581-Q584 WeakPolarHBondContact OG1-CG 3.37Å; T581-Q584 PolarHBondContact OG1-N 3.24Å; T581-Q584 PolarHBondContact OG1-OE1 3.49Å; T581-R585 VanDerWaalsContact O-CG 3.24Å; T581-R585 WeakPolarHBondContact O-CG 3.24Å; T581-R585 PolarHBondContact O-N 2.99Å | ||
| 582 | F | 96 | Very high | 96.6 | Very high | 135 Ų | 135 | 78.1 Ų | 78.1 | 59% | 0.592 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -51.9 | -45.4 | -179.7 | -176.6 | -105.1 | 0 | 0 | 0 | 113.3 | I575 R585 I586 | I575-F582 HydrophobicContact CG2-CD2 4.13Å; I575-F582 HydrophobicContact CG2-CE2 4.03Å; F582-R585 PolarHBondContact O-N 3.04Å; F582-I586 HydrophobicContact CD1-CD1 3.94Å; F582-I586 HydrophobicContact CE1-CD1 3.4Å; F582-I586 HydrophobicContact CE2-CD1 4.26Å; F582-I586 HydrophobicContact CZ-CD1 3.59Å; F582-I586 WeakPolarHBondContact O-CG1 3.42Å; F582-I586 PolarHBondContact O-N 2.89Å; F582-I586 VanDerWaalsContact O-N 3.14Å |
| 583 | I | 95.9 | Very high | 96.2 | Very high | 111 Ų | 111 | 78.7 Ų | 78.7 | 57% | 0.569 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -67.7 | -39.6 | 178.1 | -63.6 | 172.2 | 0 | 0 | 0 | 111.5 | T581 K587 | T581-I583 VanDerWaalsContact C-N 3.3Å; T581-I583 PolarHBondContact O-N 3.06Å; I583-K587 HydrophobicContact CG2-CD 4.22Å; I583-K587 WeakPolarHBondContact O-CG 3.47Å; I583-K587 PolarHBondContact O-N 3.05Å |
| 584 | Q | 96.8 | Very high | 95.2 | Very high | 105 Ų | 105 | 77.8 Ų | 77.8 | 49% | 0.491 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62.6 | -44.9 | 176.3 | -75.2 | 169.9 | -18.8 | 0 | 0 | 110.9 | T581 I586 K587 T588 | T581-Q584 WeakPolarHBondContact O-CB 3.35Å; T581-Q584 PolarHBondContact O-N 3.46Å; T581-Q584 VanDerWaalsContact OG1-CG 3.29Å; T581-Q584 WeakPolarHBondContact OG1-CG 3.37Å; T581-Q584 PolarHBondContact OG1-N 3.24Å; T581-Q584 PolarHBondContact OG1-OE1 3.49Å; Q584-I586 PolarHBondContact O-N 3.41Å; Q584-K587 PolarHBondContact O-N 3.46Å; Q584-T588 WeakPolarHBondContact O-CB 3.42Å; Q584-T588 PolarHBondContact O-N 3.43Å; Q584-T588 PolarHBondContact O-OG1 3.35Å |
| 585 | R | 97.4 | Very high | 93.7 | Very high | 63 Ų | 63 | 79.4 Ų | 79.4 | 24% | 0.238 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -57.3 | -48.7 | 177.9 | -65.7 | 165.2 | -176.2 | -137.1 | 4.8 | 111.9 | I575 T578 G580 T581 F582 T588 L589 | I575-R585 VanDerWaalsContact O-CD 3.32Å; I575-R585 WeakPolarHBondContact O-CD 3.43Å; I575-R585 PolarHBondContact O-NH1 2.72Å; T578-R585 HydrophobicContact CG2-CB 4.13Å; T578-R585 HydrophobicContact CG2-CG 4.05Å; T578-R585 WeakPolarHBondContact O-CD 3.31Å; T578-R585 VanDerWaalsContact O-CG 3.29Å; T578-R585 WeakPolarHBondContact O-CG 3.46Å; T578-R585 PolarHBondContact O-NE 2.84Å; T578-R585 PolarHBondContact O-NH1 3.28Å; G580-R585 PolarHBondContact O-NE 3.09Å; G580-R585 PolarHBondContact O-NH2 2.97Å; T581-R585 VanDerWaalsContact O-CG 3.24Å; T581-R585 WeakPolarHBondContact O-CG 3.24Å; T581-R585 PolarHBondContact O-N 2.99Å; F582-R585 PolarHBondContact O-N 3.04Å; R585-T588 PolarHBondContact O-N 3.41Å; R585-L589 WeakPolarHBondContact O-CB 3.46Å; R585-L589 VanDerWaalsContact O-CG 3.28Å; R585-L589 WeakPolarHBondContact O-CG 3.44Å; R585-L589 PolarHBondContact O-N 3.18Å |
| 586 | I | 97.2 | Very high | 91.2 | Very high | 54 Ų | 54 | 83.3 Ų | 83.3 | 28% | 0.277 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -59.9 | -49 | 176.8 | -68.5 | 173.8 | 0 | 0 | 0 | 110.5 | L119 I575 F582 Q584 T588 L589 C590 | L119-I586 HydrophobicContact CD2-CG2 4.29Å; I575-I586 HydrophobicContact CD1-CG1 4.49Å; F582-I586 HydrophobicContact CD1-CD1 3.94Å; F582-I586 HydrophobicContact CE1-CD1 3.4Å; F582-I586 HydrophobicContact CE2-CD1 4.26Å; F582-I586 HydrophobicContact CZ-CD1 3.59Å; F582-I586 WeakPolarHBondContact O-CG1 3.42Å; F582-I586 PolarHBondContact O-N 2.89Å; F582-I586 VanDerWaalsContact O-N 3.14Å; Q584-I586 PolarHBondContact O-N 3.41Å; I586-T588 VanDerWaalsContact C-N 3.35Å; I586-T588 PolarHBondContact O-N 3.33Å; I586-L589 PolarHBondContact O-N 3.13Å; I586-C590 PolarHBondContact O-N 3.4Å; I586-C590 VanDerWaalsContact O-N 3.07Å; I586-C590 PolarHBondContact O-SG 3.01Å; I586-C590 VanDerWaalsContact O-SG 3.34Å |
| 587 | K | 96.4 | Very high | 88.7 | Confident | 144 Ų | 144 | 80.7 Ų | 80.7 | 63% | 0.626 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -59.4 | -45.6 | 179.7 | -75.4 | -178.2 | 178.1 | -175.7 | 0 | 111.7 | I583 Q584 L589 C590 I591 | I583-K587 HydrophobicContact CG2-CD 4.22Å; I583-K587 WeakPolarHBondContact O-CG 3.47Å; I583-K587 PolarHBondContact O-N 3.05Å; Q584-K587 PolarHBondContact O-N 3.46Å; K587-L589 VanDerWaalsContact C-N 3.34Å; K587-L589 PolarHBondContact O-N 3.13Å; K587-C590 PolarHBondContact O-N 3.35Å; K587-I591 WeakPolarHBondContact O-CG1 3.38Å |
| 588 | T | 97.1 | Very high | 86.1 | Confident | 75 Ų | 75 | 75.3 Ų | 75.3 | 46% | 0.46 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -59.9 | -43.5 | 177.4 | -62.2 | 0 | 0 | 0 | 0 | 111.6 | T578 Q584 R585 I586 C590 I591 | T578-T588 HydrophobicContact CG2-CG2 4.12Å; Q584-T588 WeakPolarHBondContact O-CB 3.42Å; Q584-T588 PolarHBondContact O-N 3.43Å; Q584-T588 PolarHBondContact O-OG1 3.35Å; R585-T588 PolarHBondContact O-N 3.41Å; I586-T588 VanDerWaalsContact C-N 3.35Å; I586-T588 PolarHBondContact O-N 3.33Å; T588-C590 VanDerWaalsContact C-N 3.26Å; T588-C590 PolarHBondContact O-N 2.71Å; T588-I591 WeakPolarHBondContact O-CB 3.42Å; T588-I591 PolarHBondContact O-N 2.93Å; T588-I591 VanDerWaalsContact O-N 3.16Å |
| 589 | L | 97.4 | Very high | 83.3 | Confident | 10 Ų | 10 | 76.3 Ų | 76.3 | 5% | 0.052 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -73.9 | -12.6 | 180 | -69.1 | 169.5 | 0 | 0 | 0 | 114.1 | P118 L119 K574 I575 R585 I586 K587 | P118-L589 HydrophobicContact CB-CD2 3.89Å; P118-L589 WeakPolarHBondContact CD-O 3.26Å; P118-L589 VanDerWaalsContact N-O 3.15Å; L119-L589 HydrophobicContact CB-CB 3.78Å; L119-L589 WeakPolarHBondContact CB-O 3.21Å; L119-L589 HydrophobicContact CD1-CB 4.05Å; L119-L589 HydrophobicContact CD1-CD1 3.92Å; L119-L589 HydrophobicContact CG-CB 4.48Å; L119-L589 PolarHBondContact N-O 3.11Å; K574-L589 HydrophobicContact CB-CD1 3.9Å; K574-L589 HydrophobicContact CB-CD2 3.99Å; I575-L589 HydrophobicContact CG1-CD1 3.86Å; R585-L589 WeakPolarHBondContact O-CB 3.46Å; R585-L589 VanDerWaalsContact O-CG 3.28Å; R585-L589 WeakPolarHBondContact O-CG 3.44Å; R585-L589 PolarHBondContact O-N 3.18Å; I586-L589 PolarHBondContact O-N 3.13Å; K587-L589 VanDerWaalsContact C-N 3.34Å; K587-L589 PolarHBondContact O-N 3.13Å |
| 590 | C | 96.8 | Very high | 80.6 | Confident | 33 Ų | 33 | 75.9 Ų | 75.9 | 22% | 0.223 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -9.3 | 170.7 | -69.4 | 0 | 0 | 0 | 0 | 113 | I487 I586 K587 T588 | I487-C590 HydrophobicContact CG2-CB 3.88Å; I586-C590 PolarHBondContact O-N 3.4Å; I586-C590 VanDerWaalsContact O-N 3.07Å; I586-C590 PolarHBondContact O-SG 3.01Å; I586-C590 VanDerWaalsContact O-SG 3.34Å; K587-C590 PolarHBondContact O-N 3.35Å; T588-C590 VanDerWaalsContact C-N 3.26Å; T588-C590 PolarHBondContact O-N 2.71Å |
| 591 | I | 94.9 | Very high | 78.2 | Confident | 102 Ų | 102 | 77.4 Ų | 77.4 | 52% | 0.523 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -85.5 | 130.7 | 179 | -61.6 | 169.9 | 0 | 0 | 0 | 108.8 | P118 K587 T588 | P118-I591 WeakPolarHBondContact CD-O 3.32Å; K587-I591 WeakPolarHBondContact O-CG1 3.38Å; T588-I591 WeakPolarHBondContact O-CB 3.42Å; T588-I591 PolarHBondContact O-N 2.93Å; T588-I591 VanDerWaalsContact O-N 3.16Å |
| 592 | P | 94.5 | Very high | 75.5 | Confident | 28 Ų | 28 | 76.9 Ų | 76.9 | 18% | 0.182 | 39% | 0.39 | C | S | . | . | trans | -60.9 | 139.1 | 175.5 | -19.5 | 28.3 | 0 | 0 | 0 | 112.4 | N115 I116 Y488 I594 | N115-P592 CarbonylContact O-C 3.49Å; N115-P592 WeakPolarHBondContact O-CA 3.22Å; I116-P592 WeakPolarHBondContact O-CA 3.11Å; I116-P592 WeakPolarHBondContact O-CG 3.27Å; Y488-P592 HydrophobicContact CD2-CG 3.8Å; Y488-P592 HydrophobicContact CE2-CB 4.13Å; Y488-P592 HydrophobicContact CE2-CG 3.66Å; P592-I594 HydrophobicContact CB-CD1 4.07Å; P592-I594 HydrophobicContact CB-CG1 4Å | ||
| 593 | I | 90.5 | Very high | 72.5 | Confident | 99 Ų | 99 | 77.5 Ų | 77.5 | 51% | 0.508 | 39% | 0.392 | S | S | . | . | trans | -114.3 | 80 | 170.7 | -51 | 172.2 | 0 | 0 | 0 | 106.9 | N115 P118 | N115-I593 HydrophobicContact CB-CB 4.42Å; N115-I593 VanDerWaalsContact CB-O 3.29Å; N115-I593 WeakPolarHBondContact CB-O 3.45Å; N115-I593 PolarHBondContact O-N 3.4Å; P118-I593 HydrophobicContact CB-CD1 4.49Å; P118-I593 HydrophobicContact CG-CD1 3.64Å; P118-I593 HydrophobicContact CG-CG1 3.89Å | ||
| 594 | I | 77.8 | Confident | 69.7 | Low | 56 Ų | 56 | 75.6 Ų | 75.6 | 29% | 0.287 | 39% | 0.386 | S | S | . | . | trans | -103.1 | 116.8 | 179.6 | -54.2 | 174.1 | 0 | 0 | 0 | 107.3 | I116 Y488 P592 N596 | I116-I594 HydrophobicContact CG2-CD1 4.18Å; I116-I594 HydrophobicContact CG2-CG1 4.45Å; Y488-I594 HydrophobicContact CE2-CD1 4.38Å; P592-I594 HydrophobicContact CB-CD1 4.07Å; P592-I594 HydrophobicContact CB-CG1 4Å; I594-N596 PolarHBondContact O-N 3.5Å | ||
| 595 | D | 64 | Low | 66.9 | Low | 88 Ų | 88 | 75 Ų | 75 | 47% | 0.471 | 38% | 0.383 | S | S | . | . | trans | -63.9 | 122.2 | 172.8 | -60.8 | -39 | 0 | 0 | 0 | 108.9 | R108 N597 | R108-D595 IonicContact CZ-OD2 2.72Å; R108-D595 IonicContact NH2-OD2 3.45Å; R108-D595 PolarHBondContact NH2-OD2 3.23Å; D595-N597 PolarHBondContact O-N 3.48Å | ||
| 596 | N | 45.9 | Very low | 63.7 | Low | 104 Ų | 104 | 77 Ų | 77 | 56% | 0.556 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | 35.4 | 176.8 | -85.1 | 10.9 | 0 | 0 | 0 | 113.7 | I594 T598 D599 | I594-N596 PolarHBondContact O-N 3.5Å; N596-T598 PolarHBondContact O-N 3.01Å; N596-T598 VanDerWaalsContact O-N 3.11Å; N596-D599 WeakPolarHBondContact CB-OD2 3.46Å; N596-D599 PolarHBondContact ND2-OD2 2.91Å; N596-D599 PolarHBondContact O-N 2.99Å |
| 597 | N | 44.2 | Very low | 60.6 | Low | 99 Ų | 99 | 77.3 Ų | 77.3 | 53% | 0.529 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.1 | -16.1 | 166 | -79.7 | -17.9 | 0 | 0 | 0 | 111.9 | D595 | D595-N597 PolarHBondContact O-N 3.48Å |
| 598 | T | 42.9 | Very low | 57.5 | Low | 24 Ų | 24 | 78.7 Ų | 78.7 | 15% | 0.147 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -69.2 | -26.4 | 171.7 | 52 | 0 | 0 | 0 | 0 | 113.5 | N596 N600 D601 K602 | N596-T598 PolarHBondContact O-N 3.01Å; N596-T598 VanDerWaalsContact O-N 3.11Å; T598-N600 VanDerWaalsContact C-N 3.29Å; T598-N600 PolarHBondContact O-N 3.26Å; T598-D601 PolarHBondContact O-N 3.03Å; T598-K602 WeakPolarHBondContact O-CB 3.43Å; T598-K602 VanDerWaalsContact O-CG 3.26Å; T598-K602 WeakPolarHBondContact O-CG 3.33Å; T598-K602 PolarHBondContact O-N 3.47Å |
| 599 | D | 36.9 | Very low | 54.4 | Low | 48 Ų | 48 | 84.3 Ų | 84.3 | 26% | 0.257 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -64.8 | -34.5 | -178 | -73.8 | -20.7 | 0 | 0 | 0 | 111.4 | N596 K602 F603 | N596-D599 WeakPolarHBondContact CB-OD2 3.46Å; N596-D599 PolarHBondContact ND2-OD2 2.91Å; N596-D599 PolarHBondContact O-N 2.99Å; D599-K602 WeakPolarHBondContact O-CB 3.24Å; D599-K602 PolarHBondContact O-N 2.99Å; D599-K602 WeakPolarHBondContact OD1-CD 3.14Å; D599-K602 IonicContact OD1-NZ 3.88Å; D599-K602 PolarHBondContact OD1-NZ 3.14Å; D599-F603 WeakPolarHBondContact O-CD2 2.8Å; D599-F603 PolarHBondContact O-N 3.07Å |
| 600 | N | 38.8 | Very low | 51 | Low | 98 Ų | 98 | 87.5 Ų | 87.5 | 52% | 0.524 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -72 | -31.4 | 175.9 | -76.8 | -22.9 | 0 | 0 | 0 | 113.8 | T598 T604 | T598-N600 VanDerWaalsContact C-N 3.29Å; T598-N600 PolarHBondContact O-N 3.26Å; N600-T604 WeakPolarHBondContact O-CB 3.33Å; N600-T604 WeakPolarHBondContact O-CG2 3.34Å; N600-T604 PolarHBondContact O-N 2.87Å; N600-T604 PolarHBondContact O-OG1 3.39Å |
| 601 | D | 44.4 | Very low | 47.8 | Very low | 69 Ų | 69 | 91.4 Ų | 91.4 | 37% | 0.369 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -74 | -34.7 | 170.5 | -81.7 | -4.8 | 0 | 0 | 0 | 111.1 | Y44 T598 F603 T604 E605 | Y44-D601 PolarHBondContact OH-OD2 3.13Å; Y44-D601 VanDerWaalsContact OH-OD2 3.11Å; T598-D601 PolarHBondContact O-N 3.03Å; D601-F603 VanDerWaalsContact C-N 3.32Å; D601-F603 PolarHBondContact O-N 2.84Å; D601-T604 WeakPolarHBondContact CA-OG1 3.34Å; D601-E605 PolarHBondContact O-N 3.39Å |
| 602 | K | 40 | Very low | 44.5 | Very low | 70 Ų | 70 | 94.2 Ų | 94.2 | 30% | 0.304 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.3 | -38.1 | 171.5 | -71.4 | 175 | -160.7 | 162.5 | 0 | 112 | T598 D599 N606 | T598-K602 WeakPolarHBondContact O-CB 3.43Å; T598-K602 VanDerWaalsContact O-CG 3.26Å; T598-K602 WeakPolarHBondContact O-CG 3.33Å; T598-K602 PolarHBondContact O-N 3.47Å; D599-K602 WeakPolarHBondContact O-CB 3.24Å; D599-K602 PolarHBondContact O-N 2.99Å; D599-K602 WeakPolarHBondContact OD1-CD 3.14Å; D599-K602 IonicContact OD1-NZ 3.88Å; D599-K602 PolarHBondContact OD1-NZ 3.14Å; K602-N606 WeakPolarHBondContact O-CB 3.43Å; K602-N606 PolarHBondContact O-ND2 3.27Å |
| 603 | F | 33.5 | Very low | 41.5 | Very low | 147 Ų | 147 | 97.4 Ų | 97.4 | 65% | 0.645 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -82.2 | -36.3 | 179.5 | -80.4 | -70.2 | 0 | 0 | 0 | 113.3 | D599 D601 S607 | D599-F603 WeakPolarHBondContact O-CD2 2.8Å; D599-F603 PolarHBondContact O-N 3.07Å; D601-F603 VanDerWaalsContact C-N 3.32Å; D601-F603 PolarHBondContact O-N 2.84Å; F603-S607 WeakPolarHBondContact O-CB 3.07Å; F603-S607 PolarHBondContact O-N 3.34Å; F603-S607 PolarHBondContact O-OG 3.26Å |
| 604 | T | 36.7 | Very low | 38.8 | Very low | 72 Ų | 72 | 98.7 Ų | 98.7 | 44% | 0.442 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -74.9 | -23.5 | -176.8 | 45.6 | 0 | 0 | 0 | 0 | 114.9 | N600 D601 S607 | N600-T604 WeakPolarHBondContact O-CB 3.33Å; N600-T604 WeakPolarHBondContact O-CG2 3.34Å; N600-T604 PolarHBondContact O-N 2.87Å; N600-T604 PolarHBondContact O-OG1 3.39Å; D601-T604 WeakPolarHBondContact CA-OG1 3.34Å; T604-S607 PolarHBondContact O-OG 3.28Å; T604-S607 VanDerWaalsContact O-OG 3.07Å |
| 605 | E | 36.6 | Very low | 36.5 | Very low | 92 Ų | 92 | 100.5 Ų | 100.5 | 43% | 0.43 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -88.2 | -35.4 | 170.9 | -78.3 | -169.6 | 163.5 | 0 | 0 | 112.8 | H325 D601 S607 K608 | H325-E605 IonicContact CD2-OE2 2.74Å; H325-E605 PolarHBondContact CD2-OE2 2.78Å; D601-E605 PolarHBondContact O-N 3.39Å; E605-S607 VanDerWaalsContact C-N 3.3Å; E605-S607 PolarHBondContact O-N 3.12Å; E605-K608 WeakPolarHBondContact O-CB 3.44Å; E605-K608 PolarHBondContact O-N 2.66Å; E605-K608 VanDerWaalsContact O-N 3.16Å |
| 606 | N | 31.9 | Very low | 34.9 | Very low | 105 Ų | 105 | 100.5 Ų | 100.5 | 56% | 0.561 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -66.4 | -30.3 | 172.4 | -81.8 | -24.5 | 0 | 0 | 0 | 112.8 | K602 K608 F609 S610 | K602-N606 WeakPolarHBondContact O-CB 3.43Å; K602-N606 PolarHBondContact O-ND2 3.27Å; N606-K608 PolarHBondContact O-N 3.32Å; N606-F609 PolarHBondContact O-N 3.46Å; N606-F609 VanDerWaalsContact O-N 3.11Å; N606-S610 PolarHBondContact O-N 2.99Å; N606-S610 VanDerWaalsContact O-N 3.08Å; N606-S610 PolarHBondContact O-OG 3.25Å |
| 607 | S | 31.3 | Very low | 34.1 | Very low | 61 Ų | 61 | 101 Ų | 101 | 43% | 0.427 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -67.7 | -20.7 | 174.4 | 68.1 | 0 | 0 | 0 | 0 | 113.2 | F603 T604 E605 F609 | F603-S607 WeakPolarHBondContact O-CB 3.07Å; F603-S607 PolarHBondContact O-N 3.34Å; F603-S607 PolarHBondContact O-OG 3.26Å; T604-S607 PolarHBondContact O-OG 3.28Å; T604-S607 VanDerWaalsContact O-OG 3.07Å; E605-S607 VanDerWaalsContact C-N 3.3Å; E605-S607 PolarHBondContact O-N 3.12Å; S607-F609 VanDerWaalsContact C-N 3.31Å |
| 608 | K | 31.8 | Very low | 33.3 | Very low | 172 Ų | 172 | 105 Ų | 105 | 75% | 0.748 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -74.8 | -20.9 | 171.9 | -74.6 | -175.9 | 177.8 | 175.9 | 0 | 113.3 | E605 N606 | E605-K608 WeakPolarHBondContact O-CB 3.44Å; E605-K608 PolarHBondContact O-N 2.66Å; E605-K608 VanDerWaalsContact O-N 3.16Å; N606-K608 PolarHBondContact O-N 3.32Å |
| 609 | F | 31.7 | Very low | 32.6 | Very low | 193 Ų | 193 | 109.6 Ų | 109.6 | 85% | 0.846 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -105.2 | -6 | 177.9 | -88.8 | -82.2 | 0 | 0 | 0 | 114.1 | N606 S607 | N606-F609 PolarHBondContact O-N 3.46Å; N606-F609 VanDerWaalsContact O-N 3.11Å; S607-F609 VanDerWaalsContact C-N 3.31Å |
| 610 | S | 26.4 | Very low | 32.4 | Very low | 77 Ų | 77 | 113.7 Ų | 113.7 | 54% | 0.538 | 64% | 0.643 | S | S | . | * | trans | -127.1 | 52.5 | -177.8 | 56.2 | 0 | 0 | 0 | 0 | 112.8 | N606 I612 | N606-S610 PolarHBondContact O-N 2.99Å; N606-S610 VanDerWaalsContact O-N 3.08Å; N606-S610 PolarHBondContact O-OG 3.25Å; S610-I612 VanDerWaalsContact C-N 3.26Å; S610-I612 PolarHBondContact O-N 2.61Å | ||
| 611 | V | 28.8 | Very low | 32.4 | Very low | 116 Ų | 116 | 114.6 Ų | 114.6 | 70% | 0.703 | 65% | 0.654 | S | S | * | * | trans | -88.1 | 77.2 | 152.8 | -172.7 | 0 | 0 | 0 | 0 | 107.2 | T613 | V611-T613 HydrophobicContact CG1-CG2 4.05Š| ||
| 612 | I | 26.4 | Very low | 31.8 | Very low | 160 Ų | 160 | 118.1 Ų | 118.1 | 82% | 0.821 | 67% | 0.673 | S | S | * | * | trans | -105.5 | 84.6 | 158.9 | -57.2 | 176.9 | 0 | 0 | 0 | 104.7 | S610 S614 | S610-I612 VanDerWaalsContact C-N 3.26Å; S610-I612 PolarHBondContact O-N 2.61Å; I612-S614 PolarHBondContact O-N 3.04Å | ||
| 613 | T | 30.3 | Very low | 31.5 | Very low | 96 Ų | 96 | 124.1 Ų | 124.1 | 59% | 0.589 | 70% | 0.702 | S | S | * | * | trans | -71.3 | 127.5 | 173 | 40.3 | 0 | 0 | 0 | 0 | 109.3 | V611 T615 | V611-T613 HydrophobicContact CG1-CG2 4.05Å; T613-T615 PolarHBondContact O-N 3.38Å | ||
| 614 | S | 33.9 | Very low | 31.2 | Very low | 125 Ų | 125 | 126.1 Ų | 126.1 | 87% | 0.874 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -71.8 | 30.3 | 178.1 | 57.7 | 0 | 0 | 0 | 0 | 114.3 | I612 | I612-S614 PolarHBondContact O-N 3.04Š|
| 615 | T | 30.4 | Very low | 30.9 | Very low | 94 Ų | 94 | 130.6 Ų | 130.6 | 58% | 0.577 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -138.8 | 104.6 | 173 | 50.9 | 0 | 0 | 0 | 0 | 107.1 | T613 T617 | T613-T615 PolarHBondContact O-N 3.38Å; T615-T617 PolarHBondContact O-N 3.13Å |
| 616 | G | 30.5 | Very low | 30.6 | Very low | 89 Ų | 89 | 138.9 Ų | 138.9 | 92% | 0.918 | 77% | 0.772 | S | S | * | * | trans | -68.2 | 70.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 617 | T | 28.7 | Very low | 30.5 | Very low | 114 Ų | 114 | 140.6 Ų | 140.6 | 70% | 0.699 | 78% | 0.783 | S | S | * | * | trans | -144.6 | 112.2 | 169.4 | 3.3 | 0 | 0 | 0 | 0 | 109.4 | T615 C619 | T615-T617 PolarHBondContact O-N 3.13Å; T617-C619 PolarHBondContact O-N 3.21Å | ||
| 618 | L | 27.8 | Very low | 30.5 | Very low | 183 Ų | 183 | 144.7 Ų | 144.7 | 96% | 0.958 | 80% | 0.801 | S | S | * | * | trans | -64.3 | 109.3 | 173.4 | -78.5 | 139.7 | 0 | 0 | 0 | 109.2 | ||||
| 619 | C | 28 | Very low | 30.4 | Very low | 121 Ų | 121 | 143.2 Ų | 143.2 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -102.8 | 107 | 158.7 | -78.8 | 0 | 0 | 0 | 0 | 108 | T617 | T617-C619 PolarHBondContact O-N 3.21Š| ||
| 620 | N | 32.4 | Very low | 30.3 | Very low | 133 Ų | 133 | 140.3 Ų | 140.3 | 71% | 0.711 | 80% | 0.802 | S | S | * | * | trans | -77.9 | 122.5 | 171.6 | -165.6 | 12.7 | 0 | 0 | 0 | 108.5 | D622 | N620-D622 PolarHBondContact O-N 2.81Å; N620-D622 VanDerWaalsContact O-N 3.15Å | ||
| 621 | P | 39.5 | Very low | 30.6 | Very low | 117 Ų | 117 | 144.3 Ų | 144.3 | 76% | 0.76 | 82% | 0.818 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | 9.8 | -172 | -15.2 | 30.5 | 0 | 0 | 0 | 116.8 | ||
| 622 | D | 31.8 | Very low | 30.7 | Very low | 144 Ų | 144 | 146.1 Ų | 146.1 | 77% | 0.77 | 83% | 0.826 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.5 | 21.3 | -175 | -75.2 | -25.2 | 0 | 0 | 0 | 115 | N620 K624 | N620-D622 PolarHBondContact O-N 2.81Å; N620-D622 VanDerWaalsContact O-N 3.15Å; D622-K624 PolarHBondContact O-N 3.4Å |
| 623 | E | 33.5 | Very low | 31 | Very low | 196 Ų | 196 | 145.1 Ų | 145.1 | 92% | 0.916 | 83% | 0.826 | S | S | * | * | trans | -98.3 | 73.5 | 163.6 | -78.5 | -175.7 | 170 | 0 | 0 | 110.7 | ||||
| 624 | K | 27.7 | Very low | 31.1 | Very low | 188 Ų | 188 | 148.9 Ų | 148.9 | 82% | 0.817 | 85% | 0.845 | S | S | * | * | trans | -106.5 | 120.7 | 147.1 | -83.8 | -178.2 | 176.2 | 177.4 | 0 | 106.5 | D622 | D622-K624 PolarHBondContact O-N 3.4Š| ||
| 625 | I | 29.8 | Very low | 30.8 | Very low | 167 Ų | 167 | 150.9 Ų | 150.9 | 86% | 0.856 | 84% | 0.842 | S | S | * | * | trans | 177.6 | 121 | 135.8 | -85.1 | 146.7 | 0 | 0 | 0 | 107.8 | ||||
| 626 | M | 29.9 | Very low | 30.9 | Very low | 265 Ų | 265 | 156.1 Ų | 156.1 | 100% | 1.305 | 87% | 0.866 | S | S | * | * | trans | 50.9 | 0 | 165.3 | -87.9 | -177.9 | 169.6 | 0 | 0 | 119.7 |
Retrieved 626 of 626 residues in 775.5 ms
(Link to these results)