| 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 | 52.3 | Low | 48.4 | Very low | 176 Ų | 176 | 125.1 Ų | 125.1 | 87% | 0.867 | 61% | 0.61 | S | S | * | * | 0 | -78.2 | 0 | -75.5 | -148.2 | -87.3 | 0 | 0 | 113.9 | W3 E4 Q5 | M1-W3 PolarHBondContact O-N 2.86Å; M1-E4 PolarHBondContact N-OE2 3.39Å; M1-E4 PolarHBondContact O-N 2.81Å; M1-E4 VanDerWaalsContact O-N 3.08Å; M1-Q5 PolarHBondContact O-N 2.77Å | |||
| 2 | F | 44.4 | Very low | 49.7 | Very low | 150 Ų | 150 | 121.7 Ų | 121.7 | 66% | 0.658 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -57.2 | -46.4 | -178.5 | -170.5 | -99.2 | 0 | 0 | 0 | 113.4 | E4 Q5 L6 | F2-E4 VanDerWaalsContact C-N 3.33Å; F2-E4 PolarHBondContact O-N 3.13Å; F2-Q5 PolarHBondContact O-N 3.22Å; F2-L6 HydrophobicContact CD1-CD1 3.59Å; F2-L6 HydrophobicContact CE1-CD1 3.2Å; F2-L6 HydrophobicContact CE2-CD1 4.43Å; F2-L6 HydrophobicContact CG-CD1 4.36Å; F2-L6 HydrophobicContact CZ-CD1 3.68Å; F2-L6 PolarHBondContact O-N 3.49Å |
| 3 | W | 48.3 | Very low | 51.3 | Low | 196 Ų | 196 | 112.3 Ų | 112.3 | 74% | 0.742 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -69.2 | -25.6 | 176.2 | -66 | 109.1 | 0 | 0 | 0 | 114.7 | M1 K7 | M1-W3 PolarHBondContact O-N 2.86Å; W3-K7 WeakPolarHBondContact O-CB 3.24Å; W3-K7 WeakPolarHBondContact O-CG 3.39Å; W3-K7 PolarHBondContact O-N 3.48Å; W3-K7 VanDerWaalsContact O-N 3.07Å |
| 4 | E | 46.9 | Very low | 52.7 | Low | 134 Ų | 134 | 106.4 Ų | 106.4 | 63% | 0.626 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -82.9 | -32.3 | 176 | -73.9 | 165.5 | 144.6 | 0 | 0 | 111.3 | M1 F2 K7 A8 | M1-E4 PolarHBondContact N-OE2 3.39Å; M1-E4 PolarHBondContact O-N 2.81Å; M1-E4 VanDerWaalsContact O-N 3.08Å; F2-E4 VanDerWaalsContact C-N 3.33Å; F2-E4 PolarHBondContact O-N 3.13Å; E4-K7 PolarHBondContact O-N 3.35Å; E4-A8 WeakPolarHBondContact O-CB 3.35Å; E4-A8 PolarHBondContact O-N 2.9Å |
| 5 | Q | 47.4 | Very low | 54.1 | Low | 119 Ų | 119 | 108.3 Ų | 108.3 | 56% | 0.556 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -67.6 | -41.8 | 168.3 | -86.5 | 176.3 | -52.2 | 0 | 0 | 111.1 | M1 F2 K7 A8 E9 | M1-Q5 PolarHBondContact O-N 2.77Å; F2-Q5 PolarHBondContact O-N 3.22Å; Q5-K7 PolarHBondContact O-N 3.43Å; Q5-A8 PolarHBondContact O-N 2.83Å; Q5-E9 WeakPolarHBondContact O-CB 3.49Å; Q5-E9 WeakPolarHBondContact O-CG 3.48Å; Q5-E9 PolarHBondContact O-N 3.08Å |
| 6 | L | 45.6 | Very low | 55.7 | Low | 66 Ų | 66 | 102.6 Ų | 102.6 | 35% | 0.346 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.3 | -44.7 | 171.3 | -107.6 | 120.5 | 0 | 0 | 0 | 111.8 | F2 A8 E9 E10 | F2-L6 HydrophobicContact CD1-CD1 3.59Å; F2-L6 HydrophobicContact CE1-CD1 3.2Å; F2-L6 HydrophobicContact CE2-CD1 4.43Å; F2-L6 HydrophobicContact CG-CD1 4.36Å; F2-L6 HydrophobicContact CZ-CD1 3.68Å; F2-L6 PolarHBondContact O-N 3.49Å; L6-A8 VanDerWaalsContact C-N 3.33Å; L6-A8 PolarHBondContact O-N 3.46Å; L6-E9 PolarHBondContact O-N 2.82Å; L6-E10 WeakPolarHBondContact O-CB 3.45Å; L6-E10 VanDerWaalsContact O-CG 3.29Å; L6-E10 WeakPolarHBondContact O-CG 3.39Å; L6-E10 PolarHBondContact O-N 3.19Å |
| 7 | K | 48.3 | Very low | 57.1 | Low | 156 Ų | 156 | 98.6 Ų | 98.6 | 68% | 0.678 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -69 | -25.1 | 175.6 | -79.4 | -178.5 | 174.9 | -176 | 0 | 114.6 | W3 E4 Q5 | W3-K7 WeakPolarHBondContact O-CB 3.24Å; W3-K7 WeakPolarHBondContact O-CG 3.39Å; W3-K7 PolarHBondContact O-N 3.48Å; W3-K7 VanDerWaalsContact O-N 3.07Å; E4-K7 PolarHBondContact O-N 3.35Å; Q5-K7 PolarHBondContact O-N 3.43Å |
| 8 | A | 46.7 | Very low | 58.3 | Low | 80 Ų | 80 | 102.3 Ų | 102.3 | 66% | 0.661 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -86.7 | -26.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | E4 Q5 L6 | E4-A8 WeakPolarHBondContact O-CB 3.35Å; E4-A8 PolarHBondContact O-N 2.9Å; Q5-A8 PolarHBondContact O-N 2.83Å; L6-A8 VanDerWaalsContact C-N 3.33Å; L6-A8 PolarHBondContact O-N 3.46Å |
| 9 | E | 48.6 | Very low | 59.4 | Low | 152 Ų | 152 | 102.3 Ų | 102.3 | 71% | 0.71 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -82.5 | -22.6 | 171 | -72.5 | -177.6 | 174.6 | 0 | 0 | 112.4 | Q5 L6 A11 | Q5-E9 WeakPolarHBondContact O-CB 3.49Å; Q5-E9 WeakPolarHBondContact O-CG 3.48Å; Q5-E9 PolarHBondContact O-N 3.08Å; L6-E9 PolarHBondContact O-N 2.82Å; E9-A11 PolarHBondContact O-N 3.07Å |
| 10 | E | 50.4 | Low | 59.9 | Low | 98 Ų | 98 | 107.3 Ų | 107.3 | 46% | 0.458 | 52% | 0.516 | S | S | . | . | trans | -68.1 | 67.8 | 159.4 | -75.6 | 172.3 | -173.2 | 0 | 0 | 109.8 | L6 N12 | L6-E10 WeakPolarHBondContact O-CB 3.45Å; L6-E10 VanDerWaalsContact O-CG 3.29Å; L6-E10 WeakPolarHBondContact O-CG 3.39Å; L6-E10 PolarHBondContact O-N 3.19Å; E10-N12 PolarHBondContact O-N 2.88Å | ||
| 11 | A | 53.7 | Low | 60.8 | Low | 49 Ų | 49 | 111 Ų | 111 | 41% | 0.405 | 53% | 0.533 | S | S | . | . | trans | -56.3 | 100.9 | 153.2 | 0 | 0 | 0 | 0 | 0 | 105.7 | E9 V13 H30 S32 | E9-A11 PolarHBondContact O-N 3.07Å; A11-V13 PolarHBondContact O-N 2.9Å; A11-H30 PolarHBondContact O-CE1 3.42Å; A11-S32 VanDerWaalsContact O-CB 3.26Å; A11-S32 WeakPolarHBondContact O-CB 3.35Å; A11-S32 PolarHBondContact O-OG 3.43Å | ||
| 12 | N | 64 | Low | 62.4 | Low | 84 Ų | 84 | 103.3 Ų | 103.3 | 45% | 0.449 | 50% | 0.495 | S | S | . | . | trans | -66.2 | 130.1 | -177 | -162.7 | -51.9 | 0 | 0 | 0 | 107.3 | E10 S14 H15 E36 | E10-N12 PolarHBondContact O-N 2.88Å; N12-S14 WeakPolarHBondContact CB-OG 3.19Å; N12-S14 PolarHBondContact O-N 2.83Å; N12-S14 WeakPolarHBondContact OD1-CB 3.29Å; N12-S14 PolarHBondContact OD1-N 2.81Å; N12-S14 PolarHBondContact OD1-OG 2.84Å; N12-H15 WeakPolarHBondContact O-CB 3.42Å; N12-H15 PolarHBondContact O-N 3.04Å; N12-E36 PolarHBondContact OD1-OE1 3.23Å | ||
| 13 | V | 70.5 | Confident | 64.5 | Low | 0 Ų | 0 | 99.2 Ų | 99.2 | 0% | 0 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -56.6 | -24.2 | -177.3 | 176.2 | 0 | 0 | 0 | 0 | 110.5 | A11 H15 I16 M17 E36 L44 | A11-V13 PolarHBondContact O-N 2.9Å; V13-H15 PolarHBondContact O-N 3Å; V13-I16 HydrophobicContact CB-CG2 4.43Å; V13-I16 HydrophobicContact CG1-CG2 3.77Å; V13-I16 WeakPolarHBondContact O-CG2 3.42Å; V13-I16 PolarHBondContact O-N 3.39Å; V13-M17 HydrophobicContact CG1-CE 3.54Å; V13-M17 HydrophobicContact CG1-CG 3.97Å; V13-M17 WeakPolarHBondContact O-CG 3.45Å; V13-M17 PolarHBondContact O-N 2.61Å; V13-E36 VanDerWaalsContact CB-CD 3.47Å; V13-E36 WeakPolarHBondContact CB-OE2 3.33Å; V13-E36 HydrophobicContact CG2-CB 4.1Å; V13-E36 HydrophobicContact CG2-CG 3.9Å; V13-E36 WeakPolarHBondContact CG2-OE1 3.37Å; V13-E36 WeakPolarHBondContact CG2-OE2 3.14Å; V13-E36 PolarHBondContact N-OE1 2.83Å; V13-L44 HydrophobicContact CG1-CD1 4.28Å; V13-L44 HydrophobicContact CG1-CD2 3.98Å; V13-L44 HydrophobicContact CG1-CG 4.14Å |
| 14 | S | 70.6 | Confident | 66.5 | Low | 30 Ų | 30 | 90 Ų | 90 | 21% | 0.21 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -51.2 | -25.6 | 168.8 | 59.1 | 0 | 0 | 0 | 0 | 114.8 | N12 K18 E43 | N12-S14 WeakPolarHBondContact CB-OG 3.19Å; N12-S14 PolarHBondContact O-N 2.83Å; N12-S14 WeakPolarHBondContact OD1-CB 3.29Å; N12-S14 PolarHBondContact OD1-N 2.81Å; N12-S14 PolarHBondContact OD1-OG 2.84Å; S14-K18 WeakPolarHBondContact O-CG 3.44Å; S14-E43 WeakPolarHBondContact CA-OE2 3.41Å; S14-E43 WeakPolarHBondContact CB-OE2 3.45Å |
| 15 | H | 74.6 | Confident | 68.5 | Low | 135 Ų | 135 | 86.7 Ų | 86.7 | 63% | 0.625 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -74.2 | -42.3 | 174.8 | -172.6 | -83.7 | 0 | 0 | 0 | 112.3 | N12 V13 K18 | N12-H15 WeakPolarHBondContact O-CB 3.42Å; N12-H15 PolarHBondContact O-N 3.04Å; V13-H15 PolarHBondContact O-N 3Å; H15-K18 PolarHBondContact O-N 3.2Å |
| 16 | I | 79.6 | Confident | 70.3 | Confident | 17 Ų | 17 | 85.3 Ų | 85.3 | 9% | 0.087 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -72.8 | -32.7 | 177.8 | -165.9 | 167.2 | 0 | 0 | 0 | 110.9 | V13 K18 Q19 L22 H30 | V13-I16 HydrophobicContact CB-CG2 4.43Å; V13-I16 HydrophobicContact CG1-CG2 3.77Å; V13-I16 WeakPolarHBondContact O-CG2 3.42Å; V13-I16 PolarHBondContact O-N 3.39Å; I16-K18 PolarHBondContact O-N 3.01Å; I16-K18 VanDerWaalsContact O-N 3.13Å; I16-Q19 VanDerWaalsContact O-CB 3.28Å; I16-Q19 WeakPolarHBondContact O-CB 3.26Å; I16-Q19 WeakPolarHBondContact O-CG 3.42Å; I16-Q19 PolarHBondContact O-N 3.45Å; I16-L22 HydrophobicContact CD1-CD1 3.78Å; I16-L22 HydrophobicContact CG1-CD1 3.41Å; I16-L22 VanDerWaalsContact CG1-CD1 3.41Å; I16-L22 HydrophobicContact CG1-CD2 4.12Å; I16-L22 HydrophobicContact CG1-CG 4.41Å; I16-H30 HydrophobicContact CD1-CB 4.34Å |
| 17 | M | 79.1 | Confident | 72.3 | Confident | 35 Ų | 35 | 82.1 Ų | 82.1 | 17% | 0.172 | 41% | 0.411 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -18.6 | 176.1 | -69 | -62.6 | 165.3 | 0 | 0 | 114.3 | V13 Q19 L22 V27 L44 F47 | V13-M17 HydrophobicContact CG1-CE 3.54Å; V13-M17 HydrophobicContact CG1-CG 3.97Å; V13-M17 WeakPolarHBondContact O-CG 3.45Å; V13-M17 PolarHBondContact O-N 2.61Å; M17-Q19 VanDerWaalsContact C-N 3.31Å; M17-L22 HydrophobicContact CE-CD2 4.34Å; M17-L22 HydrophobicContact SD-CD2 3.87Å; M17-V27 HydrophobicContact CE-CB 4.45Å; M17-V27 HydrophobicContact CE-CG1 3.67Å; M17-V27 HydrophobicContact CE-CG2 3.8Å; M17-L44 HydrophobicContact CE-CD2 3.27Å; M17-L44 HydrophobicContact CE-CG 3.91Å; M17-F47 HydrophobicContact CE-CB 4.39Å; M17-F47 HydrophobicContact CE-CG 4.33Å; M17-F47 HydrophobicContact SD-CB 4.04Å; M17-F47 HydrophobicContact SD-CD2 4.1Å; M17-F47 HydrophobicContact SD-CG 4.07Å |
| 18 | K | 78.5 | Confident | 74.2 | Confident | 164 Ų | 164 | 75.1 Ų | 75.1 | 71% | 0.713 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -10 | 174.3 | -70.6 | 168.8 | -173 | 173.3 | 0 | 113.5 | S14 H15 I16 | S14-K18 WeakPolarHBondContact O-CG 3.44Å; H15-K18 PolarHBondContact O-N 3.2Å; I16-K18 PolarHBondContact O-N 3.01Å; I16-K18 VanDerWaalsContact O-N 3.13Å |
| 19 | Q | 78.8 | Confident | 76.1 | Confident | 103 Ų | 103 | 75.3 Ų | 75.3 | 48% | 0.481 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -72.2 | 140.3 | 177.6 | -63.8 | -177.6 | -13.2 | 0 | 0 | 110.5 | I16 M17 L22 | I16-Q19 VanDerWaalsContact O-CB 3.28Å; I16-Q19 WeakPolarHBondContact O-CB 3.26Å; I16-Q19 WeakPolarHBondContact O-CG 3.42Å; I16-Q19 PolarHBondContact O-N 3.45Å; M17-Q19 VanDerWaalsContact C-N 3.31Å; Q19-L22 HydrophobicContact CB-CD1 4.49Å |
| 20 | K | 69.1 | Low | 77.7 | Confident | 201 Ų | 201 | 69.7 Ų | 69.7 | 87% | 0.874 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | 141.4 | 169.5 | -69.2 | -176.6 | 177.1 | -178.3 | 0 | 108.5 | ||
| 21 | E | 78.6 | Confident | 79.1 | Confident | 187 Ų | 187 | 76.3 Ų | 76.3 | 87% | 0.874 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.6 | 36.1 | 176.9 | -55 | -177.5 | 172 | 0 | 0 | 115.8 | T23 | E21-T23 PolarHBondContact O-N 2.75Š|
| 22 | L | 87.1 | Confident | 80.3 | Confident | 14 Ų | 14 | 74.3 Ų | 74.3 | 7% | 0.073 | 35% | 0.349 | C | S | . | . | trans | -69.2 | 128.5 | 177.2 | -165.8 | 70.3 | 0 | 0 | 0 | 112.5 | I16 M17 Q19 E26 V27 F47 | I16-L22 HydrophobicContact CD1-CD1 3.78Å; I16-L22 HydrophobicContact CG1-CD1 3.41Å; I16-L22 VanDerWaalsContact CG1-CD1 3.41Å; I16-L22 HydrophobicContact CG1-CD2 4.12Å; I16-L22 HydrophobicContact CG1-CG 4.41Å; M17-L22 HydrophobicContact CE-CD2 4.34Å; M17-L22 HydrophobicContact SD-CD2 3.87Å; Q19-L22 HydrophobicContact CB-CD1 4.49Å; L22-E26 HydrophobicContact CD1-CB 3.93Å; L22-V27 HydrophobicContact CD1-CG2 4.5Å; L22-V27 HydrophobicContact CD2-CG2 3.28Å; L22-V27 HydrophobicContact CG-CG2 3.7Å; L22-F47 HydrophobicContact CB-CE2 3.93Å; L22-F47 HydrophobicContact CB-CZ 4.41Å; L22-F47 HydrophobicContact CD2-CD2 4.5Å; L22-F47 HydrophobicContact CD2-CE2 4.01Å; L22-F47 HydrophobicContact CD2-CZ 4.35Å; L22-F47 HydrophobicContact CG-CE2 4.19Å; L22-F47 HydrophobicContact CG-CZ 4.33Å; L22-F47 WeakPolarHBondContact O-CE2 3.35Å; L22-F47 WeakPolarHBondContact O-CZ 3.37Å | ||
| 23 | T | 88.8 | Confident | 81.2 | Confident | 64 Ų | 64 | 70.3 Ų | 70.3 | 39% | 0.393 | 33% | 0.327 | S | S | . | . | trans | -90.2 | 158.7 | 177.4 | 65.8 | 0 | 0 | 0 | 0 | 112.2 | E21 L25 E26 V27 | E21-T23 PolarHBondContact O-N 2.75Å; T23-L25 VanDerWaalsContact C-N 3.28Å; T23-L25 PolarHBondContact O-N 3.49Å; T23-E26 WeakPolarHBondContact CB-OE2 3.2Å; T23-E26 PolarHBondContact N-OE2 2.98Å; T23-E26 PolarHBondContact O-N 3.44Å; T23-E26 WeakPolarHBondContact OG1-CB 3.28Å; T23-E26 WeakPolarHBondContact OG1-CG 3.46Å; T23-E26 PolarHBondContact OG1-N 2.97Å; T23-E26 PolarHBondContact OG1-OE2 3.29Å; T23-V27 PolarHBondContact O-N 3.14Å | ||
| 24 | V | 89.4 | Confident | 81.5 | Confident | 1 Ų | 1 | 71.2 Ų | 71.2 | 1% | 0.006 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60.6 | -40.9 | 176.5 | 170.4 | 0 | 0 | 0 | 0 | 111 | V27 L28 F47 F48 R53 E56 L57 I60 | V24-V27 PolarHBondContact O-N 2.93Å; V24-L28 HydrophobicContact CG1-CD1 3.94Å; V24-L28 HydrophobicContact CG1-CG 4.25Å; V24-L28 WeakPolarHBondContact O-CG 3.33Å; V24-L28 PolarHBondContact O-N 2.87Å; V24-F47 HydrophobicContact CG2-CE1 4.33Å; V24-F48 HydrophobicContact CG1-CE1 4.14Å; V24-F48 HydrophobicContact CG2-CE1 4.31Å; V24-R53 HydrophobicContact CG2-CB 4.15Å; V24-R53 HydrophobicContact CG2-CG 3.88Å; V24-E56 HydrophobicContact CB-CG 4.22Å; V24-E56 HydrophobicContact CG1-CG 4.41Å; V24-E56 HydrophobicContact CG2-CB 4.38Å; V24-E56 HydrophobicContact CG2-CG 4.27Å; V24-E56 VanDerWaalsContact CG2-OE2 3.24Å; V24-E56 WeakPolarHBondContact CG2-OE2 3.29Å; V24-L57 HydrophobicContact CG1-CD2 3.64Å; V24-L57 HydrophobicContact CG1-CG 4.13Å; V24-I60 HydrophobicContact CB-CD1 4.49Å; V24-I60 HydrophobicContact CG1-CD1 3.61Å |
| 25 | L | 88.3 | Confident | 81.8 | Confident | 66 Ų | 66 | 75.5 Ų | 75.5 | 35% | 0.346 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.6 | -41.8 | 179.1 | -68.6 | 176.3 | 0 | 0 | 0 | 112.5 | T23 V27 L28 D29 I60 | T23-L25 VanDerWaalsContact C-N 3.28Å; T23-L25 PolarHBondContact O-N 3.49Å; L25-V27 VanDerWaalsContact C-N 3.3Å; L25-V27 PolarHBondContact O-N 3.43Å; L25-L28 PolarHBondContact O-N 3.29Å; L25-D29 WeakPolarHBondContact O-CB 3.34Å; L25-D29 VanDerWaalsContact O-CG 3.29Å; L25-D29 PolarHBondContact O-N 3.33Å; L25-I60 HydrophobicContact CD2-CD1 3.75Å; L25-I60 HydrophobicContact CD2-CG1 4.27Å; L25-I60 HydrophobicContact CG-CD1 4.43Å |
| 26 | E | 86.6 | Confident | 81.9 | Confident | 89 Ų | 89 | 70.9 Ų | 70.9 | 42% | 0.416 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.8 | -37.1 | 176.8 | -74.6 | 163 | 155.8 | 0 | 0 | 112.1 | L22 T23 H30 | L22-E26 HydrophobicContact CD1-CB 3.93Å; T23-E26 WeakPolarHBondContact CB-OE2 3.2Å; T23-E26 PolarHBondContact N-OE2 2.98Å; T23-E26 PolarHBondContact O-N 3.44Å; T23-E26 WeakPolarHBondContact OG1-CB 3.28Å; T23-E26 WeakPolarHBondContact OG1-CG 3.46Å; T23-E26 PolarHBondContact OG1-N 2.97Å; T23-E26 PolarHBondContact OG1-OE2 3.29Å; E26-H30 PolarHBondContact O-N 3.02Å |
| 27 | V | 87.9 | Confident | 81.8 | Confident | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -67.2 | -47.5 | 173.5 | -179.8 | 0 | 0 | 0 | 0 | 110.8 | M17 L22 T23 V24 L25 D29 H30 T33 L44 F47 F48 | M17-V27 HydrophobicContact CE-CB 4.45Å; M17-V27 HydrophobicContact CE-CG1 3.67Å; M17-V27 HydrophobicContact CE-CG2 3.8Å; L22-V27 HydrophobicContact CD1-CG2 4.5Å; L22-V27 HydrophobicContact CD2-CG2 3.28Å; L22-V27 HydrophobicContact CG-CG2 3.7Å; T23-V27 PolarHBondContact O-N 3.14Å; V24-V27 PolarHBondContact O-N 2.93Å; L25-V27 VanDerWaalsContact C-N 3.3Å; L25-V27 PolarHBondContact O-N 3.43Å; V27-D29 VanDerWaalsContact C-N 3.28Å; V27-D29 PolarHBondContact O-N 2.94Å; V27-H30 WeakPolarHBondContact O-CB 3.1Å; V27-H30 PolarHBondContact O-N 2.71Å; V27-H30 VanDerWaalsContact O-N 3.16Å; V27-T33 HydrophobicContact CG1-CG2 4.1Å; V27-T33 VanDerWaalsContact O-CB 3.28Å; V27-T33 WeakPolarHBondContact O-CB 3.5Å; V27-T33 PolarHBondContact O-OG1 3.1Å; V27-L44 HydrophobicContact CG1-CD2 3.94Å; V27-F47 HydrophobicContact CB-CE1 4.35Å; V27-F47 HydrophobicContact CG2-CD1 4.2Å; V27-F47 HydrophobicContact CG2-CE1 3.63Å; V27-F47 HydrophobicContact CG2-CE2 4.39Å; V27-F47 HydrophobicContact CG2-CZ 3.74Å; V27-F48 HydrophobicContact CB-CZ 4.09Å; V27-F48 HydrophobicContact CG1-CE2 4.06Å; V27-F48 HydrophobicContact CG1-CZ 3.57Å |
| 28 | L | 87.7 | Confident | 81.5 | Confident | 8 Ų | 8 | 78 Ų | 78 | 4% | 0.042 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -65.3 | -30.9 | -179 | -68.1 | 179.4 | 0 | 0 | 0 | 113.2 | V24 L25 H30 L57 I60 T75 A76 I79 | V24-L28 HydrophobicContact CG1-CD1 3.94Å; V24-L28 HydrophobicContact CG1-CG 4.25Å; V24-L28 WeakPolarHBondContact O-CG 3.33Å; V24-L28 PolarHBondContact O-N 2.87Å; L25-L28 PolarHBondContact O-N 3.29Å; L28-H30 VanDerWaalsContact C-N 3.27Å; L28-L57 HydrophobicContact CD1-CD2 4.14Å; L28-L57 HydrophobicContact CD2-CD2 4.27Å; L28-I60 HydrophobicContact CD1-CD1 3.87Å; L28-I60 HydrophobicContact CD1-CG2 3.86Å; L28-T75 HydrophobicContact CD2-CG2 3.74Å; L28-A76 HydrophobicContact CD1-CB 4.38Å; L28-I79 HydrophobicContact CD2-CD1 3.53Å |
| 29 | D | 85.4 | Confident | 81.3 | Confident | 84 Ų | 84 | 79 Ų | 79 | 45% | 0.449 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -12.8 | 177 | -77.5 | -33.1 | 0 | 0 | 0 | 113.7 | L25 V27 R31 R72 | L25-D29 WeakPolarHBondContact O-CB 3.34Å; L25-D29 VanDerWaalsContact O-CG 3.29Å; L25-D29 PolarHBondContact O-N 3.33Å; V27-D29 VanDerWaalsContact C-N 3.28Å; V27-D29 PolarHBondContact O-N 2.94Å; D29-R31 PolarHBondContact O-N 3.01Å; D29-R72 IonicContact OD1-CZ 3.33Å; D29-R72 IonicContact OD1-NE 3.75Å; D29-R72 PolarHBondContact OD1-NE 3.24Å; D29-R72 IonicContact OD1-NH2 2.61Å; D29-R72 PolarHBondContact OD1-NH2 3.4Å; D29-R72 IonicContact OD2-CZ 3.54Å; D29-R72 IonicContact OD2-NE 3.4Å; D29-R72 IonicContact OD2-NH2 2.69Å; D29-R72 PolarHBondContact OD2-NH2 3.15Å |
| 30 | H | 84.1 | Confident | 81.2 | Confident | 35 Ų | 35 | 74.7 Ų | 74.7 | 16% | 0.162 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -70.2 | 125.8 | 178.9 | -169.8 | -78.2 | 0 | 0 | 0 | 110 | A11 I16 E26 V27 L28 S32 T33 | A11-H30 PolarHBondContact O-CE1 3.42Å; I16-H30 HydrophobicContact CD1-CB 4.34Å; E26-H30 PolarHBondContact O-N 3.02Å; V27-H30 WeakPolarHBondContact O-CB 3.1Å; V27-H30 PolarHBondContact O-N 2.71Å; V27-H30 VanDerWaalsContact O-N 3.16Å; L28-H30 VanDerWaalsContact C-N 3.27Å; H30-S32 PolarHBondContact ND1-N 2.93Å; H30-S32 PolarHBondContact O-N 3.19Å; H30-T33 WeakPolarHBondContact CB-OG1 3.43Å; H30-T33 WeakPolarHBondContact O-CB 3.41Å; H30-T33 PolarHBondContact O-N 2.92Å; H30-T33 PolarHBondContact O-OG1 3.35Å |
| 31 | R | 79.8 | Confident | 81.6 | Confident | 236 Ų | 236 | 67 Ų | 67 | 89% | 0.891 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -31 | -171.5 | -67.7 | -176.6 | 177.5 | -172 | -1.6 | 114.4 | D29 | D29-R31 PolarHBondContact O-N 3.01Š|
| 32 | S | 78.4 | Confident | 81.7 | Confident | 8 Ų | 8 | 66.6 Ų | 66.6 | 6% | 0.056 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -14.6 | -178 | -46.1 | 0 | 0 | 0 | 0 | 113.7 | A11 H30 Q35 E36 | A11-S32 VanDerWaalsContact O-CB 3.26Å; A11-S32 WeakPolarHBondContact O-CB 3.35Å; A11-S32 PolarHBondContact O-OG 3.43Å; H30-S32 PolarHBondContact ND1-N 2.93Å; H30-S32 PolarHBondContact O-N 3.19Å; S32-Q35 PolarHBondContact O-N 3.34Å; S32-Q35 VanDerWaalsContact O-N 3.1Å; S32-E36 PolarHBondContact O-N 3.42Å |
| 33 | T | 82 | Confident | 81.4 | Confident | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -58.9 | -46 | -175 | -61.4 | 0 | 0 | 0 | 0 | 113 | V27 H30 Q35 E36 V37 T75 | V27-T33 HydrophobicContact CG1-CG2 4.1Å; V27-T33 VanDerWaalsContact O-CB 3.28Å; V27-T33 WeakPolarHBondContact O-CB 3.5Å; V27-T33 PolarHBondContact O-OG1 3.1Å; H30-T33 WeakPolarHBondContact CB-OG1 3.43Å; H30-T33 WeakPolarHBondContact O-CB 3.41Å; H30-T33 PolarHBondContact O-N 2.92Å; H30-T33 PolarHBondContact O-OG1 3.35Å; T33-Q35 PolarHBondContact O-N 3.15Å; T33-Q35 VanDerWaalsContact O-N 3.15Å; T33-E36 PolarHBondContact O-N 3.29Å; T33-V37 HydrophobicContact CG2-CG2 3.73Å; T33-V37 WeakPolarHBondContact O-CB 3.21Å; T33-V37 WeakPolarHBondContact O-CG2 3.19Å; T33-V37 PolarHBondContact O-N 2.87Å; T33-T75 HydrophobicContact CG2-CG2 3.94Å |
| 34 | P | 77.3 | Confident | 81.2 | Confident | 19 Ų | 19 | 67.7 Ų | 67.7 | 12% | 0.123 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.1 | -30.9 | 177.4 | -24.6 | 34.3 | 0 | 0 | 0 | 113.8 | E71 | P34-E71 HydrophobicContact CG-CG 4.31Å; P34-E71 VanDerWaalsContact CG-OE1 3.29Å; P34-E71 WeakPolarHBondContact CG-OE1 3.33Å |
| 35 | Q | 76.6 | Confident | 80.9 | Confident | 120 Ų | 120 | 69.7 Ų | 69.7 | 56% | 0.561 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -80.7 | -42.9 | 177.1 | -64.2 | -175.9 | -3.1 | 0 | 0 | 111.7 | S32 T33 R38 | S32-Q35 PolarHBondContact O-N 3.34Å; S32-Q35 VanDerWaalsContact O-N 3.1Å; T33-Q35 PolarHBondContact O-N 3.15Å; T33-Q35 VanDerWaalsContact O-N 3.15Å; Q35-R38 WeakPolarHBondContact O-CB 3.5Å; Q35-R38 PolarHBondContact O-N 2.6Å |
| 36 | E | 76.3 | Confident | 80.8 | Confident | 38 Ų | 38 | 70 Ų | 70 | 18% | 0.178 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -72.5 | -31.5 | -178.1 | -70.8 | -159.8 | -154.3 | 0 | 0 | 113.4 | N12 V13 S32 T33 R38 F39 M40 L44 | N12-E36 PolarHBondContact OD1-OE1 3.23Å; V13-E36 VanDerWaalsContact CB-CD 3.47Å; V13-E36 WeakPolarHBondContact CB-OE2 3.33Å; V13-E36 HydrophobicContact CG2-CB 4.1Å; V13-E36 HydrophobicContact CG2-CG 3.9Å; V13-E36 WeakPolarHBondContact CG2-OE1 3.37Å; V13-E36 WeakPolarHBondContact CG2-OE2 3.14Å; V13-E36 PolarHBondContact N-OE1 2.83Å; S32-E36 PolarHBondContact O-N 3.42Å; T33-E36 PolarHBondContact O-N 3.29Å; E36-R38 PolarHBondContact O-N 2.81Å; E36-F39 PolarHBondContact O-N 3.34Å; E36-M40 PolarHBondContact O-N 3.46Å; E36-L44 HydrophobicContact CB-CD1 3.76Å |
| 37 | V | 78.1 | Confident | 80.9 | Confident | 8 Ų | 8 | 66.7 Ų | 66.7 | 5% | 0.048 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -28.6 | 174.4 | 165.5 | 0 | 0 | 0 | 0 | 111.8 | T33 F39 M40 T75 Q78 I79 | T33-V37 HydrophobicContact CG2-CG2 3.73Å; T33-V37 WeakPolarHBondContact O-CB 3.21Å; T33-V37 WeakPolarHBondContact O-CG2 3.19Å; T33-V37 PolarHBondContact O-N 2.87Å; V37-F39 PolarHBondContact O-N 3.41Å; V37-M40 HydrophobicContact CG1-CE 4.02Å; V37-M40 PolarHBondContact O-N 3.28Å; V37-T75 HydrophobicContact CG2-CG2 4.17Å; V37-Q78 HydrophobicContact CG1-CB 3.81Å; V37-I79 HydrophobicContact CB-CG1 4.17Å; V37-I79 HydrophobicContact CG1-CB 4.42Å; V37-I79 HydrophobicContact CG1-CG1 3.57Å; V37-I79 HydrophobicContact CG2-CD1 3.85Å; V37-I79 HydrophobicContact CG2-CG1 3.42Å; V37-I79 VanDerWaalsContact CG2-CG1 3.42Å |
| 38 | R | 73.1 | Confident | 81 | Confident | 193 Ų | 193 | 66.7 Ų | 66.7 | 73% | 0.728 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -29 | 175.5 | -62.5 | -177.4 | 178.1 | -171.9 | -1.3 | 113 | Q35 E36 | Q35-R38 WeakPolarHBondContact O-CB 3.5Å; Q35-R38 PolarHBondContact O-N 2.6Å; E36-R38 PolarHBondContact O-N 2.81Å |
| 39 | F | 74.6 | Confident | 80.9 | Confident | 184 Ų | 184 | 70 Ų | 70 | 81% | 0.807 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.9 | -13.2 | 177.9 | -57.7 | -75.1 | 0 | 0 | 0 | 112.7 | E36 V37 | E36-F39 PolarHBondContact O-N 3.34Å; V37-F39 PolarHBondContact O-N 3.41Å |
| 40 | M | 76.7 | Confident | 81.1 | Confident | 13 Ų | 13 | 67.6 Ų | 67.6 | 6% | 0.064 | 32% | 0.32 | C | S | . | . | trans | 42.7 | 74 | 178.7 | -167.6 | 62.7 | 66.8 | 0 | 0 | 112.7 | E36 V37 L44 F45 I79 N84 F87 | E36-M40 PolarHBondContact O-N 3.46Å; V37-M40 HydrophobicContact CG1-CE 4.02Å; V37-M40 PolarHBondContact O-N 3.28Å; M40-L44 HydrophobicContact SD-CB 4.25Å; M40-F45 HydrophobicContact CG-CB 4.25Å; M40-F45 HydrophobicContact CG-CD2 4.44Å; M40-I79 HydrophobicContact CE-CB 4.2Å; M40-I79 HydrophobicContact CE-CG1 4.21Å; M40-I79 HydrophobicContact CE-CG2 4.03Å; M40-N84 VanDerWaalsContact CG-ND2 3.29Å; M40-N84 WeakPolarHBondContact CG-ND2 3.47Å; M40-F87 HydrophobicContact CE-CE2 4.25Å; M40-F87 HydrophobicContact SD-CE2 4.31Å | ||
| 41 | S | 77.6 | Confident | 81.3 | Confident | 41 Ų | 41 | 72.9 Ų | 72.9 | 29% | 0.287 | 34% | 0.343 | S | S | . | . | trans | -56.3 | 152.9 | 179.1 | 70.7 | 0 | 0 | 0 | 0 | 112 | E43 L44 F45 | S41-E43 PolarHBondContact O-N 2.92Å; S41-L44 PolarHBondContact O-N 2.94Å; S41-L44 VanDerWaalsContact O-N 3.14Å; S41-L44 WeakPolarHBondContact OG-CB 3.29Å; S41-L44 PolarHBondContact OG-N 3.36Å; S41-F45 WeakPolarHBondContact O-CB 2.91Å; S41-F45 PolarHBondContact O-N 2.89Å | ||
| 42 | E | 80 | Confident | 81.8 | Confident | 178 Ų | 178 | 68.2 Ų | 68.2 | 83% | 0.832 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -56.6 | -35.8 | 178.6 | -69.8 | -174.4 | 171.2 | 0 | 0 | 112.1 | F45 A46 | E42-F45 PolarHBondContact O-N 2.99Å; E42-A46 VanDerWaalsContact O-CB 3.24Å; E42-A46 WeakPolarHBondContact O-CB 3.4Å; E42-A46 PolarHBondContact O-N 3.26Å |
| 43 | E | 81.6 | Confident | 82.5 | Confident | 100 Ų | 100 | 71.3 Ų | 71.3 | 47% | 0.467 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -65.8 | -46.7 | 177 | -63.3 | -178 | 175 | 0 | 0 | 111.8 | S14 S41 F45 A46 F47 | S14-E43 WeakPolarHBondContact CA-OE2 3.41Å; S14-E43 WeakPolarHBondContact CB-OE2 3.45Å; S41-E43 PolarHBondContact O-N 2.92Å; E43-F45 VanDerWaalsContact C-N 3.35Å; E43-A46 PolarHBondContact O-N 3.18Å; E43-F47 WeakPolarHBondContact O-CB 3.47Å; E43-F47 PolarHBondContact O-N 3.33Å |
| 44 | L | 83.8 | Confident | 83 | Confident | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.6 | -43.4 | 175.7 | -87.4 | 165.1 | 0 | 0 | 0 | 111.3 | V13 M17 V27 E36 M40 S41 F47 F48 | V13-L44 HydrophobicContact CG1-CD1 4.28Å; V13-L44 HydrophobicContact CG1-CD2 3.98Å; V13-L44 HydrophobicContact CG1-CG 4.14Å; M17-L44 HydrophobicContact CE-CD2 3.27Å; M17-L44 HydrophobicContact CE-CG 3.91Å; V27-L44 HydrophobicContact CG1-CD2 3.94Å; E36-L44 HydrophobicContact CB-CD1 3.76Å; M40-L44 HydrophobicContact SD-CB 4.25Å; S41-L44 PolarHBondContact O-N 2.94Å; S41-L44 VanDerWaalsContact O-N 3.14Å; S41-L44 WeakPolarHBondContact OG-CB 3.29Å; S41-L44 PolarHBondContact OG-N 3.36Å; L44-F47 PolarHBondContact O-N 2.84Å; L44-F48 HydrophobicContact CD2-CD2 4.38Å; L44-F48 HydrophobicContact CD2-CE2 3.7Å; L44-F48 WeakPolarHBondContact O-CD2 3.48Å; L44-F48 PolarHBondContact O-N 3.46Å |
| 45 | F | 83.9 | Confident | 83.7 | Confident | 44 Ų | 44 | 71 Ų | 71 | 19% | 0.193 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.1 | -51.4 | 176.9 | -179 | -95.4 | 0 | 0 | 0 | 110.9 | M40 S41 E42 E43 F47 F48 N49 N84 F87 | M40-F45 HydrophobicContact CG-CB 4.25Å; M40-F45 HydrophobicContact CG-CD2 4.44Å; S41-F45 WeakPolarHBondContact O-CB 2.91Å; S41-F45 PolarHBondContact O-N 2.89Å; E42-F45 PolarHBondContact O-N 2.99Å; E43-F45 VanDerWaalsContact C-N 3.35Å; F45-F47 PolarHBondContact O-N 2.81Å; F45-F48 PolarHBondContact O-N 3.22Å; F45-F48 VanDerWaalsContact O-N 3.15Å; F45-N49 HydrophobicContact CD1-CB 4.49Å; F45-N49 HydrophobicContact CE1-CB 4.19Å; F45-N49 HydrophobicContact CZ-CB 4.42Å; F45-N49 WeakPolarHBondContact O-CB 3.31Å; F45-N49 PolarHBondContact O-N 3.49Å; F45-N84 HydrophobicContact CD2-CB 3.8Å; F45-N84 HydrophobicContact CE2-CB 3.66Å; F45-F87 AromaticContact CD2-CE1 3.93Å; F45-F87 HydrophobicContact CD2-CE1 3.93Å; F45-F87 AromaticContact CD2-CE2 3.66Å; F45-F87 HydrophobicContact CD2-CE2 3.66Å; F45-F87 AromaticContact CD2-CZ 3.23Å; F45-F87 HydrophobicContact CD2-CZ 3.23Å; F45-F87 HydrophobicContact CE2-CD1 4.37Å; F45-F87 HydrophobicContact CE2-CD2 4.45Å; F45-F87 AromaticContact CE2-CE1 3.74Å; F45-F87 HydrophobicContact CE2-CE1 3.74Å; F45-F87 AromaticContact CE2-CE2 3.85Å; F45-F87 HydrophobicContact CE2-CE2 3.85Å; F45-F87 AromaticContact CE2-CZ 3.46Å; F45-F87 HydrophobicContact CE2-CZ 3.46Å; F45-F87 VanDerWaalsContact CE2-CZ 3.46Å; F45-F87 HydrophobicContact CG-CZ 4.12Å; F45-F87 HydrophobicContact CZ-CE1 4.43Å; F45-F87 HydrophobicContact CZ-CZ 4.49Å |
| 46 | A | 85.1 | Confident | 84.6 | Confident | 71 Ų | 71 | 68.8 Ų | 68.8 | 59% | 0.587 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -59.8 | -35.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | E42 E43 | E42-A46 VanDerWaalsContact O-CB 3.24Å; E42-A46 WeakPolarHBondContact O-CB 3.4Å; E42-A46 PolarHBondContact O-N 3.26Å; E43-A46 PolarHBondContact O-N 3.18Å |
| 47 | F | 88.5 | Confident | 85.4 | Confident | 20 Ų | 20 | 67 Ų | 67 | 9% | 0.088 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63 | -52.4 | 173.5 | -178.7 | -93.9 | 0 | 0 | 0 | 111.2 | M17 L22 V24 V27 E43 L44 F45 N49 R53 | M17-F47 HydrophobicContact CE-CB 4.39Å; M17-F47 HydrophobicContact CE-CG 4.33Å; M17-F47 HydrophobicContact SD-CB 4.04Å; M17-F47 HydrophobicContact SD-CD2 4.1Å; M17-F47 HydrophobicContact SD-CG 4.07Å; L22-F47 HydrophobicContact CB-CE2 3.93Å; L22-F47 HydrophobicContact CB-CZ 4.41Å; L22-F47 HydrophobicContact CD2-CD2 4.5Å; L22-F47 HydrophobicContact CD2-CE2 4.01Å; L22-F47 HydrophobicContact CD2-CZ 4.35Å; L22-F47 HydrophobicContact CG-CE2 4.19Å; L22-F47 HydrophobicContact CG-CZ 4.33Å; L22-F47 WeakPolarHBondContact O-CE2 3.35Å; L22-F47 WeakPolarHBondContact O-CZ 3.37Å; V24-F47 HydrophobicContact CG2-CE1 4.33Å; V27-F47 HydrophobicContact CB-CE1 4.35Å; V27-F47 HydrophobicContact CG2-CD1 4.2Å; V27-F47 HydrophobicContact CG2-CE1 3.63Å; V27-F47 HydrophobicContact CG2-CE2 4.39Å; V27-F47 HydrophobicContact CG2-CZ 3.74Å; E43-F47 WeakPolarHBondContact O-CB 3.47Å; E43-F47 PolarHBondContact O-N 3.33Å; L44-F47 PolarHBondContact O-N 2.84Å; F45-F47 PolarHBondContact O-N 2.81Å; F47-N49 PolarHBondContact O-N 3.07Å; F47-R53 WeakPolarHBondContact O-CD 3.32Å; F47-R53 PolarHBondContact O-NH1 2.8Å |
| 48 | F | 89.4 | Confident | 86.2 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -78.8 | -15.4 | -174.7 | -68.5 | -60.1 | 0 | 0 | 0 | 115 | V24 V27 L44 F45 S50 I54 L57 I79 F87 | V24-F48 HydrophobicContact CG1-CE1 4.14Å; V24-F48 HydrophobicContact CG2-CE1 4.31Å; V27-F48 HydrophobicContact CB-CZ 4.09Å; V27-F48 HydrophobicContact CG1-CE2 4.06Å; V27-F48 HydrophobicContact CG1-CZ 3.57Å; L44-F48 HydrophobicContact CD2-CD2 4.38Å; L44-F48 HydrophobicContact CD2-CE2 3.7Å; L44-F48 WeakPolarHBondContact O-CD2 3.48Å; L44-F48 PolarHBondContact O-N 3.46Å; F45-F48 PolarHBondContact O-N 3.22Å; F45-F48 VanDerWaalsContact O-N 3.15Å; F48-S50 PolarHBondContact O-N 3.42Å; F48-I54 WeakPolarHBondContact O-CG1 3.37Å; F48-L57 HydrophobicContact CB-CD1 4.17Å; F48-L57 HydrophobicContact CD1-CD1 3.56Å; F48-L57 HydrophobicContact CD1-CD2 4.27Å; F48-L57 HydrophobicContact CD1-CG 4.11Å; F48-L57 HydrophobicContact CE1-CD1 4.1Å; F48-L57 HydrophobicContact CE1-CD2 3.97Å; F48-L57 HydrophobicContact CE1-CG 4.29Å; F48-L57 HydrophobicContact CG-CD1 3.95Å; F48-I79 HydrophobicContact CB-CG2 4.25Å; F48-I79 HydrophobicContact CD2-CD1 4.25Å; F48-I79 HydrophobicContact CD2-CG2 3.74Å; F48-I79 HydrophobicContact CE1-CD1 4.42Å; F48-I79 HydrophobicContact CE2-CD1 3.59Å; F48-I79 HydrophobicContact CE2-CG1 4.23Å; F48-I79 HydrophobicContact CE2-CG2 4.21Å; F48-I79 HydrophobicContact CG-CG2 3.98Å; F48-I79 HydrophobicContact CZ-CD1 3.68Å; F48-F87 HydrophobicContact CB-CE1 4.1Å; F48-F87 HydrophobicContact CB-CZ 4Å |
| 49 | N | 86.9 | Confident | 87.2 | Confident | 78 Ų | 78 | 63.6 Ų | 63.6 | 42% | 0.417 | 31% | 0.307 | S | S | . | . | trans | -73.7 | 23.6 | -173.8 | -163.7 | 35.5 | 0 | 0 | 0 | 115.7 | F45 F47 F87 | F45-N49 HydrophobicContact CD1-CB 4.49Å; F45-N49 HydrophobicContact CE1-CB 4.19Å; F45-N49 HydrophobicContact CZ-CB 4.42Å; F45-N49 WeakPolarHBondContact O-CB 3.31Å; F45-N49 PolarHBondContact O-N 3.49Å; F47-N49 PolarHBondContact O-N 3.07Å; N49-F87 HydrophobicContact CB-CE1 4.03Å | ||
| 50 | S | 88.6 | Confident | 88.1 | Confident | 34 Ų | 34 | 55.4 Ų | 55.4 | 24% | 0.238 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -98.6 | 147 | 169.7 | 107.1 | 0 | 0 | 0 | 0 | 110.1 | F48 E52 R53 I54 | F48-S50 PolarHBondContact O-N 3.42Å; S50-E52 VanDerWaalsContact C-N 3.27Å; S50-E52 WeakPolarHBondContact CB-OE2 3.35Å; S50-E52 PolarHBondContact O-N 2.98Å; S50-E52 PolarHBondContact OG-N 3.09Å; S50-E52 PolarHBondContact OG-OE2 3.37Å; S50-R53 PolarHBondContact O-N 3.13Å; S50-R53 PolarHBondContact OG-N 3.32Å; S50-I54 VanDerWaalsContact O-CG1 3.31Å; S50-I54 WeakPolarHBondContact O-CG1 3.29Å; S50-I54 PolarHBondContact O-N 2.87Å |
| 51 | K | 88.4 | Confident | 88.9 | Confident | 145 Ų | 145 | 54.9 Ų | 54.9 | 63% | 0.63 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -58 | -42.7 | 179.5 | -70.4 | -172 | 176.7 | -172.4 | 0 | 111.6 | R53 I54 S55 | K51-R53 VanDerWaalsContact C-N 3.35Å; K51-R53 PolarHBondContact O-N 3.47Å; K51-I54 PolarHBondContact O-N 3.28Å; K51-S55 PolarHBondContact O-N 3.35Å; K51-S55 PolarHBondContact O-OG 2.93Å |
| 52 | E | 91.5 | Very high | 89.6 | Confident | 138 Ų | 138 | 53.6 Ų | 53.6 | 65% | 0.645 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -61.9 | -43 | -179.2 | -56 | 73.8 | -159.1 | 0 | 0 | 111.4 | S50 S55 E56 | S50-E52 VanDerWaalsContact C-N 3.27Å; S50-E52 WeakPolarHBondContact CB-OE2 3.35Å; S50-E52 PolarHBondContact O-N 2.98Å; S50-E52 PolarHBondContact OG-N 3.09Å; S50-E52 PolarHBondContact OG-OE2 3.37Å; E52-S55 PolarHBondContact O-N 3.12Å; E52-E56 WeakPolarHBondContact O-CB 3.3Å; E52-E56 PolarHBondContact O-N 3.36Å |
| 53 | R | 92 | Very high | 90 | Very high | 74 Ų | 74 | 47.3 Ų | 47.3 | 28% | 0.279 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -72.9 | -36.6 | 179.9 | -71.5 | 177 | 172.7 | 162.6 | -2.7 | 112.3 | V24 F47 S50 K51 S55 E56 L57 | V24-R53 HydrophobicContact CG2-CB 4.15Å; V24-R53 HydrophobicContact CG2-CG 3.88Å; F47-R53 WeakPolarHBondContact O-CD 3.32Å; F47-R53 PolarHBondContact O-NH1 2.8Å; S50-R53 PolarHBondContact O-N 3.13Å; S50-R53 PolarHBondContact OG-N 3.32Å; K51-R53 VanDerWaalsContact C-N 3.35Å; K51-R53 PolarHBondContact O-N 3.47Å; R53-S55 VanDerWaalsContact C-N 3.34Å; R53-E56 PolarHBondContact O-N 2.88Å; R53-L57 WeakPolarHBondContact O-CB 3.34Å; R53-L57 VanDerWaalsContact O-CG 3.31Å; R53-L57 WeakPolarHBondContact O-CG 3.24Å; R53-L57 PolarHBondContact O-N 2.96Å |
| 54 | I | 92.7 | Very high | 90 | Very high | 3 Ų | 3 | 49.6 Ų | 49.6 | 2% | 0.015 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.7 | -46.2 | 171.2 | -66.7 | 168.4 | 0 | 0 | 0 | 110 | F48 S50 K51 E56 L57 L58 L80 F87 L91 | F48-I54 WeakPolarHBondContact O-CG1 3.37Å; S50-I54 VanDerWaalsContact O-CG1 3.31Å; S50-I54 WeakPolarHBondContact O-CG1 3.29Å; S50-I54 PolarHBondContact O-N 2.87Å; K51-I54 PolarHBondContact O-N 3.28Å; I54-E56 VanDerWaalsContact C-N 3.33Å; I54-E56 PolarHBondContact O-N 3.25Å; I54-L57 PolarHBondContact O-N 3.23Å; I54-L58 PolarHBondContact O-N 3.48Å; I54-L80 HydrophobicContact CG2-CD2 4.06Å; I54-F87 HydrophobicContact CD1-CD1 4.05Å; I54-F87 HydrophobicContact CG1-CD1 4.19Å; I54-L91 HydrophobicContact CG2-CB 3.86Å; I54-L91 HydrophobicContact CG2-CD1 4.09Å; I54-L91 HydrophobicContact CG2-CG 4.23Å |
| 55 | S | 93.4 | Very high | 89.8 | Confident | 10 Ų | 10 | 51.7 Ų | 51.7 | 7% | 0.07 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.9 | -37.9 | 175.6 | -65 | 0 | 0 | 0 | 0 | 112.9 | K51 E52 R53 R59 N97 | K51-S55 PolarHBondContact O-N 3.35Å; K51-S55 PolarHBondContact O-OG 2.93Å; E52-S55 PolarHBondContact O-N 3.12Å; R53-S55 VanDerWaalsContact C-N 3.34Å; S55-R59 WeakPolarHBondContact O-CG 3.48Å; S55-R59 PolarHBondContact O-N 3.23Å; S55-R59 PolarHBondContact O-NH1 3.3Å; S55-N97 VanDerWaalsContact CA-OD1 3.31Å; S55-N97 WeakPolarHBondContact CA-OD1 3.28Å; S55-N97 VanDerWaalsContact CB-OD1 3.22Å; S55-N97 WeakPolarHBondContact CB-OD1 3.14Å; S55-N97 PolarHBondContact OG-ND2 3.16Å; S55-N97 PolarHBondContact OG-OD1 3.35Å |
| 56 | E | 93.9 | Very high | 89.5 | Confident | 72 Ų | 72 | 52.5 Ų | 52.5 | 34% | 0.336 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -66.5 | -46.2 | 175.8 | -170.6 | 177.1 | 176.1 | 0 | 0 | 111.5 | V24 E52 R53 I54 L58 R59 I60 | V24-E56 HydrophobicContact CB-CG 4.22Å; V24-E56 HydrophobicContact CG1-CG 4.41Å; V24-E56 HydrophobicContact CG2-CB 4.38Å; V24-E56 HydrophobicContact CG2-CG 4.27Å; V24-E56 VanDerWaalsContact CG2-OE2 3.24Å; V24-E56 WeakPolarHBondContact CG2-OE2 3.29Å; E52-E56 WeakPolarHBondContact O-CB 3.3Å; E52-E56 PolarHBondContact O-N 3.36Å; R53-E56 PolarHBondContact O-N 2.88Å; I54-E56 VanDerWaalsContact C-N 3.33Å; I54-E56 PolarHBondContact O-N 3.25Å; E56-L58 VanDerWaalsContact C-N 3.31Å; E56-L58 PolarHBondContact O-N 2.88Å; E56-R59 PolarHBondContact O-N 2.76Å; E56-R59 VanDerWaalsContact O-N 3.17Å; E56-I60 HydrophobicContact CG-CD1 4.05Å; E56-I60 WeakPolarHBondContact O-CG1 3.23Å; E56-I60 PolarHBondContact O-N 3.21Å |
| 57 | L | 93.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -57.7 | -42.6 | 174.3 | -76.2 | 173.7 | 0 | 0 | 0 | 112 | V24 L28 F48 R53 I54 R59 I60 A61 A76 I79 L80 | V24-L57 HydrophobicContact CG1-CD2 3.64Å; V24-L57 HydrophobicContact CG1-CG 4.13Å; L28-L57 HydrophobicContact CD1-CD2 4.14Å; L28-L57 HydrophobicContact CD2-CD2 4.27Å; F48-L57 HydrophobicContact CB-CD1 4.17Å; F48-L57 HydrophobicContact CD1-CD1 3.56Å; F48-L57 HydrophobicContact CD1-CD2 4.27Å; F48-L57 HydrophobicContact CD1-CG 4.11Å; F48-L57 HydrophobicContact CE1-CD1 4.1Å; F48-L57 HydrophobicContact CE1-CD2 3.97Å; F48-L57 HydrophobicContact CE1-CG 4.29Å; F48-L57 HydrophobicContact CG-CD1 3.95Å; R53-L57 WeakPolarHBondContact O-CB 3.34Å; R53-L57 VanDerWaalsContact O-CG 3.31Å; R53-L57 WeakPolarHBondContact O-CG 3.24Å; R53-L57 PolarHBondContact O-N 2.96Å; I54-L57 PolarHBondContact O-N 3.23Å; L57-R59 VanDerWaalsContact C-N 3.35Å; L57-R59 PolarHBondContact O-N 3.34Å; L57-I60 PolarHBondContact O-N 3.21Å; L57-A61 WeakPolarHBondContact O-CB 3.32Å; L57-A61 PolarHBondContact O-N 3.4Å; L57-A76 HydrophobicContact CD2-CB 3.99Å; L57-I79 HydrophobicContact CD1-CB 4.38Å; L57-I79 HydrophobicContact CD1-CG2 3.66Å; L57-I79 HydrophobicContact CD2-CD1 4.19Å; L57-L80 HydrophobicContact CB-CD1 4.21Å; L57-L80 HydrophobicContact CB-CD2 4Å; L57-L80 HydrophobicContact CB-CG 4.11Å; L57-L80 HydrophobicContact CD1-CD2 4.15Å; L57-L80 HydrophobicContact CD1-CG 4.49Å |
| 58 | L | 95 | Very high | 87.8 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.1 | -44.6 | 176.5 | 175.2 | 59.7 | 0 | 0 | 0 | 111.6 | I54 E56 I60 A61 L62 L80 L91 N97 V100 L101 L122 | I54-L58 PolarHBondContact O-N 3.48Å; E56-L58 VanDerWaalsContact C-N 3.31Å; E56-L58 PolarHBondContact O-N 2.88Å; L58-I60 VanDerWaalsContact C-N 3.33Å; L58-I60 PolarHBondContact O-N 3.21Å; L58-A61 PolarHBondContact O-N 2.92Å; L58-L62 HydrophobicContact CD1-CD1 3.64Å; L58-L62 HydrophobicContact CD1-CG 4.11Å; L58-L62 HydrophobicContact CG-CD1 4.42Å; L58-L62 PolarHBondContact O-N 3.19Å; L58-L62 VanDerWaalsContact O-N 3.13Å; L58-L80 HydrophobicContact CB-CD1 4.45Å; L58-L91 HydrophobicContact CB-CD1 4.22Å; L58-L91 HydrophobicContact CD1-CD1 4.27Å; L58-L91 HydrophobicContact CD2-CD1 4.3Å; L58-L91 HydrophobicContact CD2-CD2 4.39Å; L58-L91 HydrophobicContact CD2-CG 4.31Å; L58-L91 HydrophobicContact CG-CD1 4.49Å; L58-N97 HydrophobicContact CD2-CB 3.67Å; L58-V100 HydrophobicContact CD2-CB 4.23Å; L58-V100 HydrophobicContact CD2-CG1 4.19Å; L58-V100 HydrophobicContact CG-CG1 4.2Å; L58-L101 HydrophobicContact CD1-CD2 3.89Å; L58-L101 HydrophobicContact CD2-CG 4.41Å; L58-L122 HydrophobicContact CD1-CD2 3.7Å |
| 59 | R | 94.5 | Very high | 87.2 | Confident | 130 Ų | 130 | 66.7 Ų | 66.7 | 49% | 0.491 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64.7 | -37.4 | 176.7 | -70 | -177 | -173.2 | 99.1 | -1 | 112 | S55 E56 L57 L62 S63 V100 | S55-R59 WeakPolarHBondContact O-CG 3.48Å; S55-R59 PolarHBondContact O-N 3.23Å; S55-R59 PolarHBondContact O-NH1 3.3Å; E56-R59 PolarHBondContact O-N 2.76Å; E56-R59 VanDerWaalsContact O-N 3.17Å; L57-R59 VanDerWaalsContact C-N 3.35Å; L57-R59 PolarHBondContact O-N 3.34Å; R59-L62 PolarHBondContact O-N 2.96Å; R59-S63 WeakPolarHBondContact O-CB 3.31Å; R59-S63 PolarHBondContact O-N 3.34Å; R59-S63 VanDerWaalsContact O-N 3.1Å; R59-S63 PolarHBondContact O-OG 2.98Å; R59-V100 HydrophobicContact CG-CG1 4.35Å |
| 60 | I | 93 | Very high | 86.8 | Confident | 13 Ų | 13 | 67.6 Ų | 67.6 | 7% | 0.067 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -67.7 | -40.3 | 176 | -66.3 | 163.5 | 0 | 0 | 0 | 111.1 | V24 L25 L28 E56 L57 L58 L62 S63 R72 S73 A76 | V24-I60 HydrophobicContact CB-CD1 4.49Å; V24-I60 HydrophobicContact CG1-CD1 3.61Å; L25-I60 HydrophobicContact CD2-CD1 3.75Å; L25-I60 HydrophobicContact CD2-CG1 4.27Å; L25-I60 HydrophobicContact CG-CD1 4.43Å; L28-I60 HydrophobicContact CD1-CD1 3.87Å; L28-I60 HydrophobicContact CD1-CG2 3.86Å; E56-I60 HydrophobicContact CG-CD1 4.05Å; E56-I60 WeakPolarHBondContact O-CG1 3.23Å; E56-I60 PolarHBondContact O-N 3.21Å; L57-I60 PolarHBondContact O-N 3.21Å; L58-I60 VanDerWaalsContact C-N 3.33Å; L58-I60 PolarHBondContact O-N 3.21Å; I60-L62 VanDerWaalsContact C-N 3.29Å; I60-L62 PolarHBondContact O-N 3.4Å; I60-S63 PolarHBondContact O-OG 3.21Å; I60-R72 HydrophobicContact CG2-CB 4.19Å; I60-S73 PolarHBondContact O-OG 2.95Å; I60-A76 HydrophobicContact CB-CB 4.46Å; I60-A76 HydrophobicContact CG2-CB 4.17Å |
| 61 | A | 92.4 | Very high | 86.5 | Confident | 1 Ų | 1 | 71.5 Ų | 71.5 | 1% | 0.008 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.6 | -36 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L57 L58 A76 V77 L80 | L57-A61 WeakPolarHBondContact O-CB 3.32Å; L57-A61 PolarHBondContact O-N 3.4Å; L58-A61 PolarHBondContact O-N 2.92Å; A61-A76 HydrophobicContact CB-CB 4.19Å; A61-V77 HydrophobicContact CB-CG2 3.64Å; A61-L80 HydrophobicContact CB-CD1 4.47Å |
| 62 | L | 93.1 | Very high | 86.5 | Confident | 15 Ų | 15 | 65.4 Ų | 65.4 | 8% | 0.079 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -105.6 | 6.2 | -173.3 | -60.3 | -176.6 | 0 | 0 | 0 | 114.9 | L58 R59 I60 L101 F104 F119 | L58-L62 HydrophobicContact CD1-CD1 3.64Å; L58-L62 HydrophobicContact CD1-CG 4.11Å; L58-L62 HydrophobicContact CG-CD1 4.42Å; L58-L62 PolarHBondContact O-N 3.19Å; L58-L62 VanDerWaalsContact O-N 3.13Å; R59-L62 PolarHBondContact O-N 2.96Å; I60-L62 VanDerWaalsContact C-N 3.29Å; I60-L62 PolarHBondContact O-N 3.4Å; L62-L101 HydrophobicContact CD1-CD2 3.79Å; L62-F104 HydrophobicContact CB-CD2 3.91Å; L62-F104 HydrophobicContact CB-CE2 4.17Å; L62-F104 HydrophobicContact CB-CG 4.47Å; L62-F104 HydrophobicContact CD1-CB 4.27Å; L62-F104 HydrophobicContact CD1-CD2 4.41Å; L62-F104 HydrophobicContact CD1-CG 4.15Å; L62-F104 HydrophobicContact CD2-CD2 4.48Å; L62-F104 HydrophobicContact CD2-CE1 4.46Å; L62-F104 HydrophobicContact CD2-CE2 4.3Å; L62-F104 HydrophobicContact CD2-CZ 4.27Å; L62-F119 HydrophobicContact CD1-CD2 4.48Å; L62-F119 HydrophobicContact CD2-CB 3.81Å |
| 63 | S | 89 | Confident | 86.4 | Confident | 45 Ų | 45 | 58.9 Ų | 58.9 | 32% | 0.315 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -101 | 146 | 177.3 | 48.8 | 0 | 0 | 0 | 0 | 112.2 | R59 I60 Q65 L115 | R59-S63 WeakPolarHBondContact O-CB 3.31Å; R59-S63 PolarHBondContact O-N 3.34Å; R59-S63 VanDerWaalsContact O-N 3.1Å; R59-S63 PolarHBondContact O-OG 2.98Å; I60-S63 PolarHBondContact O-OG 3.21Å; S63-Q65 PolarHBondContact O-N 3.28Å; S63-Q65 VanDerWaalsContact O-N 3.16Å; S63-Q65 PolarHBondContact OG-NE2 3.32Å; S63-L115 WeakPolarHBondContact O-CD2 3.42Å |
| 64 | E | 81.9 | Confident | 86.1 | Confident | 148 Ų | 148 | 59.2 Ų | 59.2 | 69% | 0.692 | 29% | 0.292 | S | S | * | . | P | Polyproline II helix | trans | -63.4 | 116.5 | 173.6 | -71.9 | -165.1 | 157.6 | 0 | 0 | 110.6 | L115 | E64-L115 HydrophobicContact CB-CD1 4.49Å; E64-L115 HydrophobicContact CG-CD1 3.6Å |
| 65 | Q | 78.7 | Confident | 86 | Confident | 44 Ų | 44 | 59.2 Ų | 59.2 | 21% | 0.206 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -95.2 | 151.5 | 172.7 | -57.6 | -59.9 | -49.2 | 0 | 0 | 110.2 | S63 R69 S73 | S63-Q65 PolarHBondContact O-N 3.28Å; S63-Q65 VanDerWaalsContact O-N 3.16Å; S63-Q65 PolarHBondContact OG-NE2 3.32Å; Q65-R69 HydrophobicContact CB-CB 4.23Å; Q65-S73 WeakPolarHBondContact CG-OG 3.31Å |
| 66 | S | 77 | Confident | 85.9 | Confident | 62 Ų | 62 | 58.7 Ų | 58.7 | 43% | 0.434 | 29% | 0.289 | S | S | . | . | P | Polyproline II helix | trans | -58.6 | 155.4 | 168.3 | 63.9 | 0 | 0 | 0 | 0 | 110.3 | E68 R69 K70 | S66-E68 PolarHBondContact O-N 3.44Å; S66-E68 VanDerWaalsContact O-N 3.1Å; S66-R69 CarbonylContact O-C 3.37Å; S66-R69 PolarHBondContact O-N 2.86Å; S66-K70 PolarHBondContact O-N 3.3Å |
| 67 | A | 71.6 | Confident | 85.7 | Confident | 85 Ų | 85 | 55.7 Ų | 55.7 | 70% | 0.702 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -53.6 | -36.1 | -177 | 0 | 0 | 0 | 0 | 0 | 113.1 | R69 | A67-R69 VanDerWaalsContact C-N 3.25Å; A67-R69 PolarHBondContact O-N 3.38Å |
| 68 | E | 68.1 | Low | 85.5 | Confident | 182 Ų | 182 | 59.5 Ų | 59.5 | 85% | 0.85 | 29% | 0.293 | S | S | * | . | G | 310 helix | trans | -70.3 | -16.2 | 177.3 | -62.4 | 176.2 | 178.2 | 0 | 0 | 114.1 | S66 | S66-E68 PolarHBondContact O-N 3.44Å; S66-E68 VanDerWaalsContact O-N 3.1Å |
| 69 | R | 76.6 | Confident | 85.2 | Confident | 121 Ų | 121 | 59.5 Ų | 59.5 | 46% | 0.457 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -121 | 11 | -172 | -67.3 | 176 | 174.8 | -168.3 | -1.4 | 113.4 | Q65 S66 A67 E71 R72 | Q65-R69 HydrophobicContact CB-CB 4.23Å; S66-R69 CarbonylContact O-C 3.37Å; S66-R69 PolarHBondContact O-N 2.86Å; A67-R69 VanDerWaalsContact C-N 3.25Å; A67-R69 PolarHBondContact O-N 3.38Å; R69-E71 PolarHBondContact O-N 2.89Å; R69-R72 HydrophobicContact CB-CG 4.37Å; R69-R72 VanDerWaalsContact CD-CZ 3.46Å; R69-R72 VanDerWaalsContact O-CB 3.29Å; R69-R72 WeakPolarHBondContact O-CB 3.43Å; R69-R72 WeakPolarHBondContact O-CG 3.35Å; R69-R72 PolarHBondContact O-N 3.46Å |
| 70 | K | 78.7 | Confident | 85.1 | Confident | 98 Ų | 98 | 53.3 Ų | 53.3 | 43% | 0.426 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -56 | -33.2 | 177.5 | -75.4 | -176.4 | 176.4 | -178.2 | 0 | 112.9 | S66 R72 S73 E74 Y114 | S66-K70 PolarHBondContact O-N 3.3Å; K70-R72 PolarHBondContact O-N 3.45Å; K70-R72 VanDerWaalsContact O-N 3.17Å; K70-S73 PolarHBondContact O-N 3.15Å; K70-S73 VanDerWaalsContact O-N 3.11Å; K70-E74 PolarHBondContact O-N 3.37Å; K70-Y114 PolarHBondContact O-OH 3.42Å |
| 71 | E | 82.2 | Confident | 84.9 | Confident | 116 Ų | 116 | 56.5 Ų | 56.5 | 54% | 0.542 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -58.6 | -25.2 | 176.9 | -170.7 | 172.7 | -165.3 | 0 | 0 | 112.7 | P34 R69 S73 E74 T75 | P34-E71 HydrophobicContact CG-CG 4.31Å; P34-E71 VanDerWaalsContact CG-OE1 3.29Å; P34-E71 WeakPolarHBondContact CG-OE1 3.33Å; R69-E71 PolarHBondContact O-N 2.89Å; E71-S73 PolarHBondContact O-N 2.62Å; E71-E74 PolarHBondContact O-N 2.86Å; E71-T75 VanDerWaalsContact O-CB 3.29Å; E71-T75 WeakPolarHBondContact O-CB 3.5Å; E71-T75 PolarHBondContact O-N 3.35Å; E71-T75 PolarHBondContact O-OG1 3.44Å |
| 72 | R | 87.9 | Confident | 84.2 | Confident | 17 Ų | 17 | 57.2 Ų | 57.2 | 6% | 0.064 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.1 | -44 | 175.1 | -66.5 | -176.2 | -178.6 | 179.1 | -2.6 | 112.1 | D29 I60 R69 K70 T75 A76 | D29-R72 IonicContact OD1-CZ 3.33Å; D29-R72 IonicContact OD1-NE 3.75Å; D29-R72 PolarHBondContact OD1-NE 3.24Å; D29-R72 IonicContact OD1-NH2 2.61Å; D29-R72 PolarHBondContact OD1-NH2 3.4Å; D29-R72 IonicContact OD2-CZ 3.54Å; D29-R72 IonicContact OD2-NE 3.4Å; D29-R72 IonicContact OD2-NH2 2.69Å; D29-R72 PolarHBondContact OD2-NH2 3.15Å; I60-R72 HydrophobicContact CG2-CB 4.19Å; R69-R72 HydrophobicContact CB-CG 4.37Å; R69-R72 VanDerWaalsContact CD-CZ 3.46Å; R69-R72 VanDerWaalsContact O-CB 3.29Å; R69-R72 WeakPolarHBondContact O-CB 3.43Å; R69-R72 WeakPolarHBondContact O-CG 3.35Å; R69-R72 PolarHBondContact O-N 3.46Å; K70-R72 PolarHBondContact O-N 3.45Å; K70-R72 VanDerWaalsContact O-N 3.17Å; R72-T75 PolarHBondContact O-N 2.83Å; R72-A76 VanDerWaalsContact O-CB 3.24Å; R72-A76 WeakPolarHBondContact O-CB 3.39Å; R72-A76 PolarHBondContact O-N 2.92Å |
| 73 | S | 88.1 | Confident | 82.7 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -67.9 | -42.3 | 180 | -57.8 | 0 | 0 | 0 | 0 | 110.9 | I60 Q65 K70 E71 A76 V77 | I60-S73 PolarHBondContact O-OG 2.95Å; Q65-S73 WeakPolarHBondContact CG-OG 3.31Å; K70-S73 PolarHBondContact O-N 3.15Å; K70-S73 VanDerWaalsContact O-N 3.11Å; E71-S73 PolarHBondContact O-N 2.62Å; S73-A76 PolarHBondContact O-N 3.17Å; S73-V77 WeakPolarHBondContact O-CG2 3.22Å; S73-V77 PolarHBondContact O-N 3.44Å |
| 74 | E | 87.3 | Confident | 81.5 | Confident | 82 Ų | 82 | 65.1 Ų | 65.1 | 38% | 0.383 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60.5 | -47.7 | 174.7 | -92 | 165.5 | -160.3 | 0 | 0 | 111.7 | K70 E71 V77 Q78 Y114 M118 | K70-E74 PolarHBondContact O-N 3.37Å; E71-E74 PolarHBondContact O-N 2.86Å; E74-V77 PolarHBondContact O-N 2.97Å; E74-Q78 WeakPolarHBondContact O-CG 3.35Å; E74-Q78 PolarHBondContact O-N 2.95Å; E74-Y114 HydrophobicContact CG-CE2 4.37Å; E74-Y114 VanDerWaalsContact CG-OH 3.24Å; E74-Y114 WeakPolarHBondContact CG-OH 3.06Å; E74-Y114 WeakPolarHBondContact OE1-CE2 3.31Å; E74-Y114 PolarHBondContact OE1-OH 3.16Å; E74-M118 HydrophobicContact CG-CE 4.02Å; E74-M118 HydrophobicContact CG-SD 4.14Å |
| 75 | T | 88.8 | Confident | 80.4 | Confident | 2 Ų | 2 | 60.7 Ų | 60.7 | 1% | 0.012 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.5 | -41.7 | 178.8 | -56 | 0 | 0 | 0 | 0 | 111 | L28 T33 V37 E71 R72 V77 Q78 I79 | L28-T75 HydrophobicContact CD2-CG2 3.74Å; T33-T75 HydrophobicContact CG2-CG2 3.94Å; V37-T75 HydrophobicContact CG2-CG2 4.17Å; E71-T75 VanDerWaalsContact O-CB 3.29Å; E71-T75 WeakPolarHBondContact O-CB 3.5Å; E71-T75 PolarHBondContact O-N 3.35Å; E71-T75 PolarHBondContact O-OG1 3.44Å; R72-T75 PolarHBondContact O-N 2.83Å; T75-V77 PolarHBondContact O-N 3.5Å; T75-Q78 PolarHBondContact O-N 3.41Å; T75-I79 HydrophobicContact CG2-CD1 4.13Å; T75-I79 VanDerWaalsContact O-CG1 3.3Å; T75-I79 WeakPolarHBondContact O-CG1 3.32Å; T75-I79 PolarHBondContact O-N 3.27Å |
| 76 | A | 91.8 | Very high | 80.4 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.7 | -44.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L28 L57 I60 A61 R72 S73 I79 L80 | L28-A76 HydrophobicContact CD1-CB 4.38Å; L57-A76 HydrophobicContact CD2-CB 3.99Å; I60-A76 HydrophobicContact CB-CB 4.46Å; I60-A76 HydrophobicContact CG2-CB 4.17Å; A61-A76 HydrophobicContact CB-CB 4.19Å; R72-A76 VanDerWaalsContact O-CB 3.24Å; R72-A76 WeakPolarHBondContact O-CB 3.39Å; R72-A76 PolarHBondContact O-N 2.92Å; S73-A76 PolarHBondContact O-N 3.17Å; A76-I79 PolarHBondContact O-N 2.83Å; A76-L80 WeakPolarHBondContact O-CG 3.41Å; A76-L80 PolarHBondContact O-N 3.29Å |
| 77 | V | 90.9 | Very high | 81 | Confident | 8 Ų | 8 | 56.7 Ų | 56.7 | 5% | 0.048 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.6 | -42 | 174.4 | 170 | 0 | 0 | 0 | 0 | 111.3 | A61 S73 E74 T75 I79 L80 K81 M118 A121 | A61-V77 HydrophobicContact CB-CG2 3.64Å; S73-V77 WeakPolarHBondContact O-CG2 3.22Å; S73-V77 PolarHBondContact O-N 3.44Å; E74-V77 PolarHBondContact O-N 2.97Å; T75-V77 PolarHBondContact O-N 3.5Å; V77-I79 VanDerWaalsContact C-N 3.32Å; V77-I79 PolarHBondContact O-N 3.41Å; V77-L80 PolarHBondContact O-N 2.7Å; V77-K81 HydrophobicContact CG1-CD 3.59Å; V77-K81 HydrophobicContact CG1-CG 4.15Å; V77-K81 VanDerWaalsContact O-CB 3.31Å; V77-K81 WeakPolarHBondContact O-CB 3.25Å; V77-K81 WeakPolarHBondContact O-CG 3.31Å; V77-K81 PolarHBondContact O-N 3.42Å; V77-M118 HydrophobicContact CB-SD 4.12Å; V77-M118 HydrophobicContact CG1-SD 4.46Å; V77-M118 HydrophobicContact CG2-CB 3.88Å; V77-M118 HydrophobicContact CG2-CG 4.2Å; V77-M118 HydrophobicContact CG2-SD 3.72Å; V77-A121 HydrophobicContact CG1-CB 4.19Å |
| 78 | Q | 88.4 | Confident | 81.9 | Confident | 81 Ų | 81 | 53 Ų | 53 | 38% | 0.379 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.1 | -40.3 | 175.9 | -74.5 | 178.6 | 17.3 | 0 | 0 | 112 | V37 E74 T75 G82 | V37-Q78 HydrophobicContact CG1-CB 3.81Å; E74-Q78 WeakPolarHBondContact O-CG 3.35Å; E74-Q78 PolarHBondContact O-N 2.95Å; T75-Q78 PolarHBondContact O-N 3.41Å; Q78-G82 PolarHBondContact O-N 3.35Å |
| 79 | I | 90.2 | Very high | 83 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.9 | -52.2 | 174.9 | -67.9 | 159.3 | 0 | 0 | 0 | 110.5 | L28 V37 M40 F48 L57 T75 A76 V77 K81 G82 F87 | L28-I79 HydrophobicContact CD2-CD1 3.53Å; V37-I79 HydrophobicContact CB-CG1 4.17Å; V37-I79 HydrophobicContact CG1-CB 4.42Å; V37-I79 HydrophobicContact CG1-CG1 3.57Å; V37-I79 HydrophobicContact CG2-CD1 3.85Å; V37-I79 HydrophobicContact CG2-CG1 3.42Å; V37-I79 VanDerWaalsContact CG2-CG1 3.42Å; M40-I79 HydrophobicContact CE-CB 4.2Å; M40-I79 HydrophobicContact CE-CG1 4.21Å; M40-I79 HydrophobicContact CE-CG2 4.03Å; F48-I79 HydrophobicContact CB-CG2 4.25Å; F48-I79 HydrophobicContact CD2-CD1 4.25Å; F48-I79 HydrophobicContact CD2-CG2 3.74Å; F48-I79 HydrophobicContact CE1-CD1 4.42Å; F48-I79 HydrophobicContact CE2-CD1 3.59Å; F48-I79 HydrophobicContact CE2-CG1 4.23Å; F48-I79 HydrophobicContact CE2-CG2 4.21Å; F48-I79 HydrophobicContact CG-CG2 3.98Å; F48-I79 HydrophobicContact CZ-CD1 3.68Å; L57-I79 HydrophobicContact CD1-CB 4.38Å; L57-I79 HydrophobicContact CD1-CG2 3.66Å; L57-I79 HydrophobicContact CD2-CD1 4.19Å; T75-I79 HydrophobicContact CG2-CD1 4.13Å; T75-I79 VanDerWaalsContact O-CG1 3.3Å; T75-I79 WeakPolarHBondContact O-CG1 3.32Å; T75-I79 PolarHBondContact O-N 3.27Å; A76-I79 PolarHBondContact O-N 2.83Å; V77-I79 VanDerWaalsContact C-N 3.32Å; V77-I79 PolarHBondContact O-N 3.41Å; I79-K81 PolarHBondContact O-N 3.29Å; I79-G82 PolarHBondContact O-N 3.29Å; I79-F87 HydrophobicContact CG2-CE2 4.27Å; I79-F87 VanDerWaalsContact O-CD2 3.23Å; I79-F87 WeakPolarHBondContact O-CD2 3.35Å |
| 80 | L | 90.8 | Very high | 83.6 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.7 | -34.8 | -177.8 | -71.7 | 174 | 0 | 0 | 0 | 112.4 | I54 L57 L58 A61 A76 V77 G82 L88 L91 L122 | I54-L80 HydrophobicContact CG2-CD2 4.06Å; L57-L80 HydrophobicContact CB-CD1 4.21Å; L57-L80 HydrophobicContact CB-CD2 4Å; L57-L80 HydrophobicContact CB-CG 4.11Å; L57-L80 HydrophobicContact CD1-CD2 4.15Å; L57-L80 HydrophobicContact CD1-CG 4.49Å; L58-L80 HydrophobicContact CB-CD1 4.45Å; A61-L80 HydrophobicContact CB-CD1 4.47Å; A76-L80 WeakPolarHBondContact O-CG 3.41Å; A76-L80 PolarHBondContact O-N 3.29Å; V77-L80 PolarHBondContact O-N 2.7Å; L80-G82 VanDerWaalsContact C-N 3.3Å; L80-L88 WeakPolarHBondContact O-CD2 3.16Å; L80-L88 WeakPolarHBondContact O-CG 3.49Å; L80-L91 HydrophobicContact CD1-CD1 4Å; L80-L91 HydrophobicContact CD2-CD1 3.82Å; L80-L91 HydrophobicContact CG-CD1 4.42Å; L80-L122 HydrophobicContact CB-CD1 3.84Å; L80-L122 HydrophobicContact CD1-CD1 4.17Å |
| 81 | K | 88.7 | Confident | 84.3 | Confident | 80 Ų | 80 | 37.9 Ų | 37.9 | 35% | 0.348 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -7.3 | 176 | -70.2 | 177.6 | 57.2 | 171.6 | 0 | 114.3 | V77 I79 N83 A121 A125 | V77-K81 HydrophobicContact CG1-CD 3.59Å; V77-K81 HydrophobicContact CG1-CG 4.15Å; V77-K81 VanDerWaalsContact O-CB 3.31Å; V77-K81 WeakPolarHBondContact O-CB 3.25Å; V77-K81 WeakPolarHBondContact O-CG 3.31Å; V77-K81 PolarHBondContact O-N 3.42Å; I79-K81 PolarHBondContact O-N 3.29Å; K81-N83 PolarHBondContact O-N 2.98Å; K81-A121 HydrophobicContact CD-CB 4.48Å; K81-A125 HydrophobicContact CB-CB 4.39Å; K81-A125 HydrophobicContact CD-CB 4.08Å; K81-A125 HydrophobicContact CG-CB 3.7Å |
| 82 | G | 79 | Confident | 84.7 | Confident | 16 Ų | 16 | 32.7 Ų | 32.7 | 17% | 0.165 | 19% | 0.192 | C | C | . | . | trans | -52.4 | 132.6 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q78 I79 L80 N84 | Q78-G82 PolarHBondContact O-N 3.35Å; I79-G82 PolarHBondContact O-N 3.29Å; L80-G82 VanDerWaalsContact C-N 3.3Å; G82-N84 PolarHBondContact O-N 3.04Å | ||
| 83 | N | 61.4 | Low | 84.8 | Confident | 141 Ų | 141 | 35.8 Ų | 35.8 | 75% | 0.754 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65 | 5.1 | -172.5 | -96.2 | 4.1 | 0 | 0 | 0 | 115.7 | K81 G85 | K81-N83 PolarHBondContact O-N 2.98Å; N83-G85 PolarHBondContact O-N 3.49Å; N83-G85 VanDerWaalsContact O-N 3.09Å |
| 84 | N | 63.7 | Low | 84.9 | Confident | 85 Ų | 85 | 36.8 Ų | 36.8 | 46% | 0.455 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | 8.5 | 177.1 | -66.3 | -5 | 0 | 0 | 0 | 112.8 | M40 F45 G82 G86 | M40-N84 VanDerWaalsContact CG-ND2 3.29Å; M40-N84 WeakPolarHBondContact CG-ND2 3.47Å; F45-N84 HydrophobicContact CD2-CB 3.8Å; F45-N84 HydrophobicContact CE2-CB 3.66Å; G82-N84 PolarHBondContact O-N 3.04Å; N84-G86 PolarHBondContact O-N 2.63Å |
| 85 | G | 59.2 | Low | 85.1 | Confident | 54 Ų | 54 | 37.2 Ų | 37.2 | 56% | 0.557 | 23% | 0.231 | S | C | * | . | S | Bend | trans | 71.1 | -10.5 | 164.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | N83 P89 | N83-G85 PolarHBondContact O-N 3.49Å; N83-G85 VanDerWaalsContact O-N 3.09Å; G85-P89 WeakPolarHBondContact O-CD 3.48Å; G85-P89 WeakPolarHBondContact O-CG 3.41Å |
| 86 | G | 78.3 | Confident | 85.3 | Confident | 21 Ų | 21 | 41.7 Ų | 41.7 | 22% | 0.216 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -91.9 | -32.1 | -172.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | N84 S90 | N84-G86 PolarHBondContact O-N 2.63Å; G86-S90 WeakPolarHBondContact O-CB 3.48Å; G86-S90 PolarHBondContact O-N 3.23Å; G86-S90 PolarHBondContact O-OG 3.15Å |
| 87 | F | 89.5 | Confident | 85.4 | Confident | 1 Ų | 1 | 41.8 Ų | 41.8 | 0% | 0.004 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -76.2 | -50.6 | -168.2 | -59.4 | -46.4 | 0 | 0 | 0 | 113.2 | M40 F45 F48 N49 I54 I79 S90 L91 | M40-F87 HydrophobicContact CE-CE2 4.25Å; M40-F87 HydrophobicContact SD-CE2 4.31Å; F45-F87 AromaticContact CD2-CE1 3.93Å; F45-F87 HydrophobicContact CD2-CE1 3.93Å; F45-F87 AromaticContact CD2-CE2 3.66Å; F45-F87 HydrophobicContact CD2-CE2 3.66Å; F45-F87 AromaticContact CD2-CZ 3.23Å; F45-F87 HydrophobicContact CD2-CZ 3.23Å; F45-F87 HydrophobicContact CE2-CD1 4.37Å; F45-F87 HydrophobicContact CE2-CD2 4.45Å; F45-F87 AromaticContact CE2-CE1 3.74Å; F45-F87 HydrophobicContact CE2-CE1 3.74Å; F45-F87 AromaticContact CE2-CE2 3.85Å; F45-F87 HydrophobicContact CE2-CE2 3.85Å; F45-F87 AromaticContact CE2-CZ 3.46Å; F45-F87 HydrophobicContact CE2-CZ 3.46Å; F45-F87 VanDerWaalsContact CE2-CZ 3.46Å; F45-F87 HydrophobicContact CG-CZ 4.12Å; F45-F87 HydrophobicContact CZ-CE1 4.43Å; F45-F87 HydrophobicContact CZ-CZ 4.49Å; F48-F87 HydrophobicContact CB-CE1 4.1Å; F48-F87 HydrophobicContact CB-CZ 4Å; N49-F87 HydrophobicContact CB-CE1 4.03Å; I54-F87 HydrophobicContact CD1-CD1 4.05Å; I54-F87 HydrophobicContact CG1-CD1 4.19Å; I79-F87 HydrophobicContact CG2-CE2 4.27Å; I79-F87 VanDerWaalsContact O-CD2 3.23Å; I79-F87 WeakPolarHBondContact O-CD2 3.35Å; F87-S90 PolarHBondContact O-N 3.35Å; F87-L91 WeakPolarHBondContact O-CB 3.34Å; F87-L91 PolarHBondContact O-N 3.05Å |
| 88 | L | 91 | Very high | 85.5 | Confident | 9 Ų | 9 | 41.7 Ų | 41.7 | 5% | 0.047 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.3 | -48.6 | -177.4 | -64.8 | 173.7 | 0 | 0 | 0 | 112.6 | L80 S90 L91 F92 L122 A125 N129 | L80-L88 WeakPolarHBondContact O-CD2 3.16Å; L80-L88 WeakPolarHBondContact O-CG 3.49Å; L88-S90 VanDerWaalsContact C-N 3.3Å; L88-S90 PolarHBondContact O-N 3.34Å; L88-L91 WeakPolarHBondContact O-CB 3.41Å; L88-L91 PolarHBondContact O-N 3.3Å; L88-L91 VanDerWaalsContact O-N 3.16Å; L88-F92 HydrophobicContact CB-CD2 4.24Å; L88-F92 HydrophobicContact CB-CE2 3.95Å; L88-F92 HydrophobicContact CD2-CE2 3.97Å; L88-F92 HydrophobicContact CD2-CZ 4.37Å; L88-F92 HydrophobicContact CG-CE2 4.48Å; L88-F92 WeakPolarHBondContact O-CD2 3.47Å; L88-F92 PolarHBondContact O-N 3.33Å; L88-L122 HydrophobicContact CD2-CD1 3.52Å; L88-L122 HydrophobicContact CD2-CG 4.41Å; L88-A125 HydrophobicContact CD1-CB 3.94Å; L88-N129 HydrophobicContact CD1-CB 4.32Å |
| 89 | P | 89.4 | Confident | 85.7 | Confident | 30 Ų | 30 | 40.5 Ų | 40.5 | 20% | 0.195 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.5 | -41.3 | 176.6 | -24.9 | 35.4 | 0 | 0 | 0 | 112.5 | G85 L91 S93 C130 E133 | G85-P89 WeakPolarHBondContact O-CD 3.48Å; G85-P89 WeakPolarHBondContact O-CG 3.41Å; P89-L91 VanDerWaalsContact C-N 3.34Å; P89-L91 PolarHBondContact O-N 2.91Å; P89-S93 WeakPolarHBondContact O-CB 3.46Å; P89-S93 PolarHBondContact O-N 3.17Å; P89-S93 PolarHBondContact O-OG 2.65Å; P89-C130 HydrophobicContact CG-CB 3.9Å; P89-E133 HydrophobicContact CB-CG 4.18Å |
| 90 | S | 89.6 | Confident | 85.8 | Confident | 53 Ų | 53 | 41.4 Ų | 41.4 | 37% | 0.371 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -65.5 | -37.8 | 177.5 | -60.3 | 0 | 0 | 0 | 0 | 112.3 | G86 F87 L88 D94 | G86-S90 WeakPolarHBondContact O-CB 3.48Å; G86-S90 PolarHBondContact O-N 3.23Å; G86-S90 PolarHBondContact O-OG 3.15Å; F87-S90 PolarHBondContact O-N 3.35Å; L88-S90 VanDerWaalsContact C-N 3.3Å; L88-S90 PolarHBondContact O-N 3.34Å; S90-D94 PolarHBondContact O-N 3.45Å |
| 91 | L | 93.1 | Very high | 86 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.7 | -51.6 | 177.2 | -176 | 152.2 | 0 | 0 | 0 | 111.1 | I54 L58 L80 F87 L88 P89 S93 D94 N97 L101 L122 | I54-L91 HydrophobicContact CG2-CB 3.86Å; I54-L91 HydrophobicContact CG2-CD1 4.09Å; I54-L91 HydrophobicContact CG2-CG 4.23Å; L58-L91 HydrophobicContact CB-CD1 4.22Å; L58-L91 HydrophobicContact CD1-CD1 4.27Å; L58-L91 HydrophobicContact CD2-CD1 4.3Å; L58-L91 HydrophobicContact CD2-CD2 4.39Å; L58-L91 HydrophobicContact CD2-CG 4.31Å; L58-L91 HydrophobicContact CG-CD1 4.49Å; L80-L91 HydrophobicContact CD1-CD1 4Å; L80-L91 HydrophobicContact CD2-CD1 3.82Å; L80-L91 HydrophobicContact CG-CD1 4.42Å; F87-L91 WeakPolarHBondContact O-CB 3.34Å; F87-L91 PolarHBondContact O-N 3.05Å; L88-L91 WeakPolarHBondContact O-CB 3.41Å; L88-L91 PolarHBondContact O-N 3.3Å; L88-L91 VanDerWaalsContact O-N 3.16Å; P89-L91 VanDerWaalsContact C-N 3.34Å; P89-L91 PolarHBondContact O-N 2.91Å; L91-S93 VanDerWaalsContact C-N 3.33Å; L91-S93 PolarHBondContact O-N 2.61Å; L91-D94 PolarHBondContact O-N 3Å; L91-N97 HydrophobicContact CG-CB 4.32Å; L91-N97 VanDerWaalsContact O-CB 3.26Å; L91-N97 WeakPolarHBondContact O-CB 3.33Å; L91-L101 HydrophobicContact CD2-CD1 4.25Å; L91-L122 HydrophobicContact CD1-CD1 4.4Å; L91-L122 HydrophobicContact CD1-CD2 4.21Å; L91-L122 HydrophobicContact CD2-CD2 4.27Å |
| 92 | F | 91.9 | Very high | 86.3 | Confident | 6 Ų | 6 | 37.9 Ų | 37.9 | 3% | 0.026 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -74.5 | -22.3 | -176.5 | -63.5 | -56 | 0 | 0 | 0 | 113.6 | L88 V98 L101 L122 I123 E133 V134 M137 | L88-F92 HydrophobicContact CB-CD2 4.24Å; L88-F92 HydrophobicContact CB-CE2 3.95Å; L88-F92 HydrophobicContact CD2-CE2 3.97Å; L88-F92 HydrophobicContact CD2-CZ 4.37Å; L88-F92 HydrophobicContact CG-CE2 4.48Å; L88-F92 WeakPolarHBondContact O-CD2 3.47Å; L88-F92 PolarHBondContact O-N 3.33Å; F92-V98 WeakPolarHBondContact O-CG2 3.36Å; F92-L101 HydrophobicContact CD1-CD1 4.16Å; F92-L101 HydrophobicContact CE1-CD1 4.01Å; F92-L122 HydrophobicContact CZ-CG 4.28Å; F92-I123 HydrophobicContact CE1-CD1 3.73Å; F92-I123 HydrophobicContact CZ-CD1 4.16Å; F92-E133 HydrophobicContact CB-CB 4.21Å; F92-V134 HydrophobicContact CD1-CG2 4.45Å; F92-V134 HydrophobicContact CD2-CG2 3.66Å; F92-V134 HydrophobicContact CE1-CG2 4.41Å; F92-V134 HydrophobicContact CE2-CG2 3.62Å; F92-V134 HydrophobicContact CG-CG2 4.1Å; F92-V134 HydrophobicContact CZ-CG2 4.02Å; F92-M137 HydrophobicContact CD1-CE 4.41Å; F92-M137 HydrophobicContact CD1-SD 3.73Å; F92-M137 HydrophobicContact CE1-SD 4.39Å |
| 93 | S | 88.8 | Confident | 86.9 | Confident | 83 Ų | 83 | 43.3 Ų | 43.3 | 58% | 0.58 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -82.1 | -13.6 | 175.9 | -58.4 | 0 | 0 | 0 | 0 | 113.7 | P89 L91 P95 | P89-S93 WeakPolarHBondContact O-CB 3.46Å; P89-S93 PolarHBondContact O-N 3.17Å; P89-S93 PolarHBondContact O-OG 2.65Å; L91-S93 VanDerWaalsContact C-N 3.33Å; L91-S93 PolarHBondContact O-N 2.61Å; S93-P95 WeakPolarHBondContact O-CD 3.41Å |
| 94 | D | 91.2 | Very high | 88.5 | Confident | 21 Ų | 21 | 37.8 Ų | 37.8 | 11% | 0.112 | 23% | 0.233 | C | C | . | . | trans | -89.7 | 114.8 | 179.5 | -172.9 | -19.8 | 0 | 0 | 0 | 111.2 | S90 L91 N96 N97 V98 | S90-D94 PolarHBondContact O-N 3.45Å; L91-D94 PolarHBondContact O-N 3Å; D94-N96 PolarHBondContact O-N 2.68Å; D94-N96 VanDerWaalsContact O-N 3.1Å; D94-N96 WeakPolarHBondContact OD1-CB 3.29Å; D94-N96 PolarHBondContact OD1-N 3.09Å; D94-N96 PolarHBondContact OD1-ND2 3.1Å; D94-N97 HydrophobicContact CB-CB 4.21Å; D94-N97 PolarHBondContact O-N 3.41Å; D94-V98 WeakPolarHBondContact O-CG2 3.29Å; D94-V98 PolarHBondContact O-N 3.14Å; D94-V98 VanDerWaalsContact O-N 3.09Å | ||
| 95 | P | 91 | Very high | 89.9 | Confident | 90 Ų | 90 | 33.8 Ų | 33.8 | 58% | 0.584 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -55.3 | -30.9 | 179.4 | -25.1 | 34.6 | 0 | 0 | 0 | 114.3 | S93 V98 N99 | S93-P95 WeakPolarHBondContact O-CD 3.41Å; P95-V98 PolarHBondContact O-N 2.85Å; P95-N99 VanDerWaalsContact O-CG 3.26Å; P95-N99 PolarHBondContact O-N 3.29Å; P95-N99 PolarHBondContact O-ND2 2.87Å |
| 96 | N | 92.4 | Very high | 91.5 | Very high | 97 Ų | 97 | 36.3 Ų | 36.3 | 52% | 0.519 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -69.1 | -38.7 | 178.8 | -64.9 | -47 | 0 | 0 | 0 | 111.7 | D94 N99 V100 | D94-N96 PolarHBondContact O-N 2.68Å; D94-N96 VanDerWaalsContact O-N 3.1Å; D94-N96 WeakPolarHBondContact OD1-CB 3.29Å; D94-N96 PolarHBondContact OD1-N 3.09Å; D94-N96 PolarHBondContact OD1-ND2 3.1Å; N96-N99 WeakPolarHBondContact O-CB 3.42Å; N96-N99 PolarHBondContact O-N 3.24Å; N96-V100 WeakPolarHBondContact O-CG2 3.35Å; N96-V100 PolarHBondContact O-N 2.79Å |
| 97 | N | 94.1 | Very high | 92.1 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -70.4 | -38.3 | 176.6 | -69.6 | -25.5 | 0 | 0 | 0 | 110.8 | S55 L58 L91 D94 N99 V100 L101 | S55-N97 VanDerWaalsContact CA-OD1 3.31Å; S55-N97 WeakPolarHBondContact CA-OD1 3.28Å; S55-N97 VanDerWaalsContact CB-OD1 3.22Å; S55-N97 WeakPolarHBondContact CB-OD1 3.14Å; S55-N97 PolarHBondContact OG-ND2 3.16Å; S55-N97 PolarHBondContact OG-OD1 3.35Å; L58-N97 HydrophobicContact CD2-CB 3.67Å; L91-N97 HydrophobicContact CG-CB 4.32Å; L91-N97 VanDerWaalsContact O-CB 3.26Å; L91-N97 WeakPolarHBondContact O-CB 3.33Å; D94-N97 HydrophobicContact CB-CB 4.21Å; D94-N97 PolarHBondContact O-N 3.41Å; N97-N99 VanDerWaalsContact C-N 3.32Å; N97-N99 PolarHBondContact O-N 2.87Å; N97-V100 WeakPolarHBondContact O-CB 3.36Å; N97-V100 PolarHBondContact O-N 3.2Å; N97-L101 WeakPolarHBondContact O-CG 3.28Å; N97-L101 PolarHBondContact O-N 2.86Å |
| 98 | V | 92.8 | Very high | 91.6 | Very high | 7 Ų | 7 | 45.9 Ų | 45.9 | 4% | 0.042 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.1 | -39.9 | 173.4 | -179.6 | 0 | 0 | 0 | 0 | 111.4 | F92 D94 P95 V100 L101 C102 M137 R141 M144 | F92-V98 WeakPolarHBondContact O-CG2 3.36Å; D94-V98 WeakPolarHBondContact O-CG2 3.29Å; D94-V98 PolarHBondContact O-N 3.14Å; D94-V98 VanDerWaalsContact O-N 3.09Å; P95-V98 PolarHBondContact O-N 2.85Å; V98-V100 VanDerWaalsContact C-N 3.34Å; V98-V100 PolarHBondContact O-N 2.78Å; V98-L101 PolarHBondContact O-N 2.85Å; V98-C102 PolarHBondContact O-N 3.49Å; V98-M137 HydrophobicContact CB-CG 4.22Å; V98-M137 HydrophobicContact CG1-CG 3.54Å; V98-M137 HydrophobicContact CG1-SD 4.13Å; V98-M137 HydrophobicContact CG2-CB 4.43Å; V98-M137 HydrophobicContact CG2-CG 3.59Å; V98-M137 HydrophobicContact CG2-SD 3.95Å; V98-R141 HydrophobicContact CG1-CB 4.44Å; V98-R141 HydrophobicContact CG1-CG 3.83Å; V98-M144 HydrophobicContact CG1-CE 4.08Å |
| 99 | N | 93 | Very high | 91.2 | Very high | 55 Ų | 55 | 47.3 Ų | 47.3 | 29% | 0.294 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -57.4 | -46.5 | 172.4 | -73.3 | -30 | 0 | 0 | 0 | 111.7 | P95 N96 N97 L101 C102 E103 R141 | P95-N99 VanDerWaalsContact O-CG 3.26Å; P95-N99 PolarHBondContact O-N 3.29Å; P95-N99 PolarHBondContact O-ND2 2.87Å; N96-N99 WeakPolarHBondContact O-CB 3.42Å; N96-N99 PolarHBondContact O-N 3.24Å; N97-N99 VanDerWaalsContact C-N 3.32Å; N97-N99 PolarHBondContact O-N 2.87Å; N99-L101 VanDerWaalsContact C-N 3.3Å; N99-L101 PolarHBondContact O-N 3.43Å; N99-C102 PolarHBondContact O-N 2.93Å; N99-C102 VanDerWaalsContact O-N 3.17Å; N99-E103 WeakPolarHBondContact O-CB 3.29Å; N99-E103 VanDerWaalsContact O-CG 3.3Å; N99-E103 WeakPolarHBondContact O-CG 3.33Å; N99-E103 PolarHBondContact O-N 3.4Å; N99-R141 PolarHBondContact OD1-NH1 3.4Å; N99-R141 PolarHBondContact OD1-NH2 2.94Å |
| 100 | V | 93.7 | Very high | 90.9 | Very high | 20 Ų | 20 | 51.2 Ų | 51.2 | 12% | 0.121 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.3 | -39.8 | 177.9 | 173.1 | 0 | 0 | 0 | 0 | 111.6 | L58 R59 N96 N97 V98 F104 | L58-V100 HydrophobicContact CD2-CB 4.23Å; L58-V100 HydrophobicContact CD2-CG1 4.19Å; L58-V100 HydrophobicContact CG-CG1 4.2Å; R59-V100 HydrophobicContact CG-CG1 4.35Å; N96-V100 WeakPolarHBondContact O-CG2 3.35Å; N96-V100 PolarHBondContact O-N 2.79Å; N97-V100 WeakPolarHBondContact O-CB 3.36Å; N97-V100 PolarHBondContact O-N 3.2Å; V98-V100 VanDerWaalsContact C-N 3.34Å; V98-V100 PolarHBondContact O-N 2.78Å; V100-F104 WeakPolarHBondContact O-CB 3.24Å; V100-F104 PolarHBondContact O-N 3.49Å |
| 101 | L | 94.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65 | -42.5 | 175.6 | -66.8 | 174 | 0 | 0 | 0 | 112.1 | L58 L62 L91 F92 N97 V98 N99 L105 F119 L122 I123 M137 M144 | L58-L101 HydrophobicContact CD1-CD2 3.89Å; L58-L101 HydrophobicContact CD2-CG 4.41Å; L62-L101 HydrophobicContact CD1-CD2 3.79Å; L91-L101 HydrophobicContact CD2-CD1 4.25Å; F92-L101 HydrophobicContact CD1-CD1 4.16Å; F92-L101 HydrophobicContact CE1-CD1 4.01Å; N97-L101 WeakPolarHBondContact O-CG 3.28Å; N97-L101 PolarHBondContact O-N 2.86Å; V98-L101 PolarHBondContact O-N 2.85Å; N99-L101 VanDerWaalsContact C-N 3.3Å; N99-L101 PolarHBondContact O-N 3.43Å; L101-L105 PolarHBondContact O-N 3.32Å; L101-F119 HydrophobicContact CB-CE2 4.35Å; L101-F119 HydrophobicContact CD2-CD2 3.98Å; L101-F119 HydrophobicContact CD2-CE2 3.84Å; L101-L122 HydrophobicContact CD2-CD2 4.24Å; L101-I123 HydrophobicContact CD1-CD1 4.37Å; L101-M137 HydrophobicContact CD1-SD 3.84Å; L101-M144 HydrophobicContact CB-CE 3.8Å |
| 102 | C | 93.3 | Very high | 90.5 | Very high | 5 Ų | 5 | 52.3 Ų | 52.3 | 3% | 0.034 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.9 | -49.6 | 175.4 | -72 | 0 | 0 | 0 | 0 | 111.4 | V98 N99 F104 L105 D106 M144 L147 | V98-C102 PolarHBondContact O-N 3.49Å; N99-C102 PolarHBondContact O-N 2.93Å; N99-C102 VanDerWaalsContact O-N 3.17Å; C102-F104 VanDerWaalsContact C-N 3.25Å; C102-F104 PolarHBondContact O-N 2.85Å; C102-L105 PolarHBondContact O-N 3.23Å; C102-D106 WeakPolarHBondContact O-CB 3.3Å; C102-D106 PolarHBondContact O-N 3.49Å; C102-M144 HydrophobicContact CB-CE 4.49Å; C102-M144 WeakPolarHBondContact SG-CE 3.33Å; C102-L147 HydrophobicContact CB-CD1 4.06Å |
| 103 | E | 93.2 | Very high | 90.3 | Very high | 131 Ų | 131 | 60.6 Ų | 60.6 | 61% | 0.612 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -57.9 | -38.7 | 178.5 | -73.1 | 168.6 | -166.6 | 0 | 0 | 111.6 | N99 L105 D106 A107 | N99-E103 WeakPolarHBondContact O-CB 3.29Å; N99-E103 VanDerWaalsContact O-CG 3.3Å; N99-E103 WeakPolarHBondContact O-CG 3.33Å; N99-E103 PolarHBondContact O-N 3.4Å; E103-L105 PolarHBondContact O-N 3.11Å; E103-D106 PolarHBondContact O-N 3.23Å; E103-A107 PolarHBondContact O-N 2.92Å |
| 104 | F | 94.5 | Very high | 90.3 | Very high | 25 Ų | 25 | 57.7 Ų | 57.7 | 11% | 0.11 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61 | -43.3 | 174.6 | 175.7 | -97.9 | 0 | 0 | 0 | 112.2 | L62 V100 C102 I111 L115 M116 F119 | L62-F104 HydrophobicContact CB-CD2 3.91Å; L62-F104 HydrophobicContact CB-CE2 4.17Å; L62-F104 HydrophobicContact CB-CG 4.47Å; L62-F104 HydrophobicContact CD1-CB 4.27Å; L62-F104 HydrophobicContact CD1-CD2 4.41Å; L62-F104 HydrophobicContact CD1-CG 4.15Å; L62-F104 HydrophobicContact CD2-CD2 4.48Å; L62-F104 HydrophobicContact CD2-CE1 4.46Å; L62-F104 HydrophobicContact CD2-CE2 4.3Å; L62-F104 HydrophobicContact CD2-CZ 4.27Å; V100-F104 WeakPolarHBondContact O-CB 3.24Å; V100-F104 PolarHBondContact O-N 3.49Å; C102-F104 VanDerWaalsContact C-N 3.25Å; C102-F104 PolarHBondContact O-N 2.85Å; F104-I111 HydrophobicContact CE1-CD1 4.4Å; F104-I111 HydrophobicContact CE1-CG2 4.18Å; F104-I111 HydrophobicContact CE2-CG2 3.91Å; F104-I111 HydrophobicContact CZ-CG2 3.47Å; F104-I111 VanDerWaalsContact CZ-CG2 3.47Å; F104-I111 WeakPolarHBondContact O-CD1 3.47Å; F104-L115 HydrophobicContact CE2-CB 3.93Å; F104-L115 HydrophobicContact CE2-CD1 4.45Å; F104-L115 HydrophobicContact CZ-CB 3.89Å; F104-M116 HydrophobicContact CE1-CE 4.29Å; F104-M116 HydrophobicContact CE1-SD 4.18Å; F104-F119 HydrophobicContact CD1-CB 4.15Å; F104-F119 AromaticContact CD1-CD2 3.65Å; F104-F119 HydrophobicContact CD1-CD2 3.65Å; F104-F119 HydrophobicContact CD1-CE2 4.33Å; F104-F119 HydrophobicContact CD1-CG 4.01Å; F104-F119 HydrophobicContact CE1-CB 3.51Å; F104-F119 AromaticContact CE1-CD2 3.89Å; F104-F119 HydrophobicContact CE1-CD2 3.89Å; F104-F119 AromaticContact CE1-CG 3.75Å; F104-F119 HydrophobicContact CE1-CG 3.75Å; F104-F119 HydrophobicContact CZ-CB 4.14Å |
| 105 | L | 93.3 | Very high | 90.4 | Very high | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -75.6 | -29.4 | 178.8 | -66.6 | 176.2 | 0 | 0 | 0 | 113.1 | L101 C102 E103 A107 M116 F119 M144 L147 L148 R151 | L101-L105 PolarHBondContact O-N 3.32Å; C102-L105 PolarHBondContact O-N 3.23Å; E103-L105 PolarHBondContact O-N 3.11Å; L105-A107 VanDerWaalsContact C-N 3.28Å; L105-A107 PolarHBondContact O-N 3.47Å; L105-M116 HydrophobicContact CD2-CE 4.24Å; L105-M116 HydrophobicContact CD2-SD 4.4Å; L105-F119 HydrophobicContact CD1-CE1 4.44Å; L105-F119 HydrophobicContact CD1-CE2 4.2Å; L105-F119 HydrophobicContact CD1-CZ 3.73Å; L105-F119 HydrophobicContact CD2-CD1 4.32Å; L105-F119 HydrophobicContact CD2-CE1 3.9Å; L105-F119 HydrophobicContact CD2-CE2 4.15Å; L105-F119 HydrophobicContact CD2-CZ 3.82Å; L105-F119 HydrophobicContact CG-CE2 4.05Å; L105-F119 HydrophobicContact CG-CZ 3.93Å; L105-M144 HydrophobicContact CD1-SD 3.62Å; L105-L147 HydrophobicContact CB-CB 3.8Å; L105-L147 HydrophobicContact CB-CD1 4.24Å; L105-L147 HydrophobicContact CB-CG 4.48Å; L105-L147 HydrophobicContact CD1-CB 3.94Å; L105-L148 HydrophobicContact CD1-CD2 3.79Å; L105-L148 HydrophobicContact CD1-CG 4.03Å; L105-L148 HydrophobicContact CD2-CD2 4.34Å; L105-R151 HydrophobicContact CD2-CG 4.37Å; L105-R151 VanDerWaalsContact O-CZ 3.3Å; L105-R151 PolarHBondContact O-NE 2.85Å; L105-R151 PolarHBondContact O-NH2 3.42Å |
| 106 | D | 93.5 | Very high | 90.5 | Very high | 107 Ų | 107 | 52.9 Ų | 52.9 | 57% | 0.572 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -82.8 | -1.4 | -179 | -158.5 | 36.5 | 0 | 0 | 0 | 113.4 | C102 E103 D108 L147 | C102-D106 WeakPolarHBondContact O-CB 3.3Å; C102-D106 PolarHBondContact O-N 3.49Å; E103-D106 PolarHBondContact O-N 3.23Å; D106-D108 PolarHBondContact O-N 2.97Å; D106-L147 HydrophobicContact CB-CD1 4.34Å; D106-L147 HydrophobicContact CB-CD2 3.85Å; D106-L147 WeakPolarHBondContact OD1-CD2 3.45Å |
| 107 | A | 89.5 | Confident | 90.4 | Very high | 42 Ų | 42 | 50 Ų | 50 | 35% | 0.347 | 27% | 0.273 | S | S | . | . | trans | -52.9 | 129.4 | -178 | 0 | 0 | 0 | 0 | 0 | 113.6 | E103 L105 G109 I111 R151 | E103-A107 PolarHBondContact O-N 2.92Å; L105-A107 VanDerWaalsContact C-N 3.28Å; L105-A107 PolarHBondContact O-N 3.47Å; A107-G109 PolarHBondContact O-N 3.39Å; A107-I111 HydrophobicContact CB-CG1 4.41Å; A107-R151 PolarHBondContact O-NH2 2.97Å | ||
| 108 | D | 80 | Confident | 90.4 | Very high | 180 Ų | 180 | 51 Ų | 51 | 96% | 0.963 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -64.2 | 102.2 | 176.9 | -73.5 | -41.2 | 0 | 0 | 0 | 111.2 | D106 | D106-D108 PolarHBondContact O-N 2.97Š|
| 109 | G | 81.9 | Confident | 90.5 | Very high | 40 Ų | 40 | 50.7 Ų | 50.7 | 41% | 0.412 | 28% | 0.275 | S | S | . | . | S | Bend | trans | 119.2 | -175.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | A107 I111 R151 | A107-G109 PolarHBondContact O-N 3.39Å; G109-I111 PolarHBondContact O-N 3.47Å; G109-R151 PolarHBondContact O-NH1 2.78Å |
| 110 | P | 82.6 | Confident | 90.5 | Very high | 111 Ų | 111 | 48 Ų | 48 | 72% | 0.721 | 26% | 0.261 | S | S | * | . | P | Polyproline II helix | trans | -74.8 | 124.2 | 178.8 | 29.6 | -32.5 | 0 | 0 | 0 | 110.9 | ||
| 111 | I | 87.3 | Confident | 90.4 | Very high | 17 Ų | 17 | 48.4 Ų | 48.4 | 9% | 0.087 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -74.6 | 142.3 | 174.5 | -63 | 162.5 | 0 | 0 | 0 | 109.5 | F104 A107 G109 W113 L115 M116 Y154 | F104-I111 HydrophobicContact CE1-CD1 4.4Å; F104-I111 HydrophobicContact CE1-CG2 4.18Å; F104-I111 HydrophobicContact CE2-CG2 3.91Å; F104-I111 HydrophobicContact CZ-CG2 3.47Å; F104-I111 VanDerWaalsContact CZ-CG2 3.47Å; F104-I111 WeakPolarHBondContact O-CD1 3.47Å; A107-I111 HydrophobicContact CB-CG1 4.41Å; G109-I111 PolarHBondContact O-N 3.47Å; I111-W113 PolarHBondContact O-N 3.49Å; I111-L115 HydrophobicContact CG2-CB 4.37Å; I111-M116 HydrophobicContact CB-CE 3.98Å; I111-M116 HydrophobicContact CD1-CE 3.4Å; I111-M116 HydrophobicContact CG1-CE 4.27Å; I111-M116 HydrophobicContact CG2-CB 4.24Å; I111-M116 HydrophobicContact CG2-CE 4.03Å; I111-Y154 PolarHBondContact N-OH 3.17Å; I111-Y154 VanDerWaalsContact N-OH 3.14Å; I111-Y154 PolarHBondContact O-OH 3.18Å |
| 112 | N | 88 | Confident | 90.3 | Very high | 59 Ų | 59 | 48.5 Ų | 48.5 | 32% | 0.316 | 27% | 0.267 | S | S | . | . | P | Polyproline II helix | trans | -57.3 | 127.1 | 174.2 | -173.1 | -33.1 | 0 | 0 | 0 | 110.4 | Y114 L115 M116 | N112-Y114 PolarHBondContact O-N 3.41Å; N112-Y114 VanDerWaalsContact O-N 3.08Å; N112-Y114 WeakPolarHBondContact OD1-CB 3.2Å; N112-Y114 PolarHBondContact OD1-N 3.2Å; N112-L115 HydrophobicContact CB-CB 4.41Å; N112-L115 HydrophobicContact CB-CD1 4.27Å; N112-L115 HydrophobicContact CB-CG 4.18Å; N112-L115 PolarHBondContact O-N 3.4Å; N112-M116 PolarHBondContact O-N 2.97Å |
| 113 | W | 87.8 | Confident | 90.4 | Very high | 181 Ų | 181 | 48.3 Ų | 48.3 | 69% | 0.686 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -53.7 | -33.7 | -178.5 | 72.1 | -94 | 0 | 0 | 0 | 112.7 | I111 M116 S117 | I111-W113 PolarHBondContact O-N 3.49Å; W113-M116 PolarHBondContact O-N 2.98Å; W113-S117 WeakPolarHBondContact O-CB 3.36Å; W113-S117 PolarHBondContact O-N 3.37Å |
| 114 | Y | 89 | Confident | 90.3 | Very high | 22 Ų | 22 | 43 Ų | 43 | 9% | 0.086 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.7 | -48.5 | 177.3 | 175.1 | -100.8 | 0 | 0 | 0 | 111.2 | K70 E74 N112 M116 S117 M118 | K70-Y114 PolarHBondContact O-OH 3.42Å; E74-Y114 HydrophobicContact CG-CE2 4.37Å; E74-Y114 VanDerWaalsContact CG-OH 3.24Å; E74-Y114 WeakPolarHBondContact CG-OH 3.06Å; E74-Y114 WeakPolarHBondContact OE1-CE2 3.31Å; E74-Y114 PolarHBondContact OE1-OH 3.16Å; N112-Y114 PolarHBondContact O-N 3.41Å; N112-Y114 VanDerWaalsContact O-N 3.08Å; N112-Y114 WeakPolarHBondContact OD1-CB 3.2Å; N112-Y114 PolarHBondContact OD1-N 3.2Å; Y114-M116 VanDerWaalsContact C-N 3.32Å; Y114-M116 PolarHBondContact O-N 3.41Å; Y114-S117 WeakPolarHBondContact O-CB 3.44Å; Y114-S117 PolarHBondContact O-N 3.25Å; Y114-S117 VanDerWaalsContact O-N 3.1Å; Y114-S117 PolarHBondContact O-OG 2.87Å; Y114-M118 HydrophobicContact CD2-CE 4.35Å; Y114-M118 HydrophobicContact CE1-CG 4.3Å; Y114-M118 HydrophobicContact CE2-CE 3.88Å; Y114-M118 PolarHBondContact O-N 3.47Å |
| 115 | L | 92.1 | Very high | 90.1 | Very high | 10 Ų | 10 | 42 Ų | 42 | 5% | 0.052 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.1 | -38.4 | 176.9 | -64.5 | -178.3 | 0 | 0 | 0 | 111.7 | S63 E64 F104 I111 N112 S117 M118 F119 | S63-L115 WeakPolarHBondContact O-CD2 3.42Å; E64-L115 HydrophobicContact CB-CD1 4.49Å; E64-L115 HydrophobicContact CG-CD1 3.6Å; F104-L115 HydrophobicContact CE2-CB 3.93Å; F104-L115 HydrophobicContact CE2-CD1 4.45Å; F104-L115 HydrophobicContact CZ-CB 3.89Å; I111-L115 HydrophobicContact CG2-CB 4.37Å; N112-L115 HydrophobicContact CB-CB 4.41Å; N112-L115 HydrophobicContact CB-CD1 4.27Å; N112-L115 HydrophobicContact CB-CG 4.18Å; N112-L115 PolarHBondContact O-N 3.4Å; L115-S117 VanDerWaalsContact C-N 3.25Å; L115-S117 PolarHBondContact O-N 3Å; L115-M118 WeakPolarHBondContact O-CB 3.3Å; L115-M118 PolarHBondContact O-N 3.39Å; L115-M118 VanDerWaalsContact O-N 3.15Å; L115-F119 PolarHBondContact O-N 3.05Å |
| 116 | M | 92.8 | Very high | 90 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.7 | -35.4 | 174 | -170.6 | 58.3 | 78.1 | 0 | 0 | 111.6 | F104 L105 I111 N112 W113 Y114 F119 G120 R151 Y154 V156 I157 | F104-M116 HydrophobicContact CE1-CE 4.29Å; F104-M116 HydrophobicContact CE1-SD 4.18Å; L105-M116 HydrophobicContact CD2-CE 4.24Å; L105-M116 HydrophobicContact CD2-SD 4.4Å; I111-M116 HydrophobicContact CB-CE 3.98Å; I111-M116 HydrophobicContact CD1-CE 3.4Å; I111-M116 HydrophobicContact CG1-CE 4.27Å; I111-M116 HydrophobicContact CG2-CB 4.24Å; I111-M116 HydrophobicContact CG2-CE 4.03Å; N112-M116 PolarHBondContact O-N 2.97Å; W113-M116 PolarHBondContact O-N 2.98Å; Y114-M116 VanDerWaalsContact C-N 3.32Å; Y114-M116 PolarHBondContact O-N 3.41Å; M116-F119 HydrophobicContact SD-CD1 4.07Å; M116-G120 PolarHBondContact O-N 3.45Å; M116-R151 HydrophobicContact CE-CB 4.33Å; M116-R151 HydrophobicContact CE-CG 4.34Å; M116-Y154 HydrophobicContact CB-CD1 3.95Å; M116-Y154 HydrophobicContact CB-CE1 4.25Å; M116-Y154 HydrophobicContact CB-CG 4.46Å; M116-Y154 HydrophobicContact CE-CD2 4.03Å; M116-Y154 HydrophobicContact CE-CE2 4.17Å; M116-Y154 HydrophobicContact CE-CG 4.32Å; M116-Y154 HydrophobicContact CG-CD1 3.66Å; M116-Y154 HydrophobicContact CG-CD2 4.33Å; M116-Y154 HydrophobicContact CG-CE1 4.32Å; M116-Y154 HydrophobicContact CG-CG 3.68Å; M116-V156 HydrophobicContact CG-CG1 3.64Å; M116-V156 WeakPolarHBondContact O-CG1 3.39Å; M116-I157 HydrophobicContact CE-CG1 4.48Å; M116-I157 HydrophobicContact CG-CD1 4.48Å; M116-I157 HydrophobicContact CG-CG1 4.27Å; M116-I157 HydrophobicContact SD-CD1 3.53Å; M116-I157 VanDerWaalsContact SD-CD1 3.53Å; M116-I157 HydrophobicContact SD-CG1 3.73Å |
| 117 | S | 91 | Very high | 89.8 | Confident | 37 Ų | 37 | 37.4 Ų | 37.4 | 26% | 0.259 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -68 | -35.5 | 173.4 | 80.8 | 0 | 0 | 0 | 0 | 112.9 | W113 Y114 L115 G120 A121 | W113-S117 WeakPolarHBondContact O-CB 3.36Å; W113-S117 PolarHBondContact O-N 3.37Å; Y114-S117 WeakPolarHBondContact O-CB 3.44Å; Y114-S117 PolarHBondContact O-N 3.25Å; Y114-S117 VanDerWaalsContact O-N 3.1Å; Y114-S117 PolarHBondContact O-OG 2.87Å; L115-S117 VanDerWaalsContact C-N 3.25Å; L115-S117 PolarHBondContact O-N 3Å; S117-G120 PolarHBondContact O-N 3.04Å; S117-A121 VanDerWaalsContact O-CB 3.28Å; S117-A121 WeakPolarHBondContact O-CB 3.47Å; S117-A121 PolarHBondContact O-N 3.46Å |
| 118 | M | 93.7 | Very high | 89.7 | Confident | 20 Ų | 20 | 42.9 Ų | 42.9 | 10% | 0.099 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.2 | -47.7 | 173.2 | -67.6 | -56.5 | 112.8 | 0 | 0 | 111.3 | E74 V77 Y114 L115 G120 A121 L122 | E74-M118 HydrophobicContact CG-CE 4.02Å; E74-M118 HydrophobicContact CG-SD 4.14Å; V77-M118 HydrophobicContact CB-SD 4.12Å; V77-M118 HydrophobicContact CG1-SD 4.46Å; V77-M118 HydrophobicContact CG2-CB 3.88Å; V77-M118 HydrophobicContact CG2-CG 4.2Å; V77-M118 HydrophobicContact CG2-SD 3.72Å; Y114-M118 HydrophobicContact CD2-CE 4.35Å; Y114-M118 HydrophobicContact CE1-CG 4.3Å; Y114-M118 HydrophobicContact CE2-CE 3.88Å; Y114-M118 PolarHBondContact O-N 3.47Å; L115-M118 WeakPolarHBondContact O-CB 3.3Å; L115-M118 PolarHBondContact O-N 3.39Å; L115-M118 VanDerWaalsContact O-N 3.15Å; M118-G120 VanDerWaalsContact C-N 3.34Å; M118-G120 PolarHBondContact O-N 3.19Å; M118-A121 PolarHBondContact O-N 3.03Å; M118-L122 PolarHBondContact O-N 3.1Å |
| 119 | F | 94.9 | Very high | 90 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 0% | 0.004 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -54.1 | -51.8 | 172.3 | 172.5 | -89.6 | 0 | 0 | 0 | 110.8 | L62 L101 F104 L105 L115 M116 A121 L122 I123 L148 I157 I160 | L62-F119 HydrophobicContact CD1-CD2 4.48Å; L62-F119 HydrophobicContact CD2-CB 3.81Å; L101-F119 HydrophobicContact CB-CE2 4.35Å; L101-F119 HydrophobicContact CD2-CD2 3.98Å; L101-F119 HydrophobicContact CD2-CE2 3.84Å; F104-F119 HydrophobicContact CD1-CB 4.15Å; F104-F119 AromaticContact CD1-CD2 3.65Å; F104-F119 HydrophobicContact CD1-CD2 3.65Å; F104-F119 HydrophobicContact CD1-CE2 4.33Å; F104-F119 HydrophobicContact CD1-CG 4.01Å; F104-F119 HydrophobicContact CE1-CB 3.51Å; F104-F119 AromaticContact CE1-CD2 3.89Å; F104-F119 HydrophobicContact CE1-CD2 3.89Å; F104-F119 AromaticContact CE1-CG 3.75Å; F104-F119 HydrophobicContact CE1-CG 3.75Å; F104-F119 HydrophobicContact CZ-CB 4.14Å; L105-F119 HydrophobicContact CD1-CE1 4.44Å; L105-F119 HydrophobicContact CD1-CE2 4.2Å; L105-F119 HydrophobicContact CD1-CZ 3.73Å; L105-F119 HydrophobicContact CD2-CD1 4.32Å; L105-F119 HydrophobicContact CD2-CE1 3.9Å; L105-F119 HydrophobicContact CD2-CE2 4.15Å; L105-F119 HydrophobicContact CD2-CZ 3.82Å; L105-F119 HydrophobicContact CG-CE2 4.05Å; L105-F119 HydrophobicContact CG-CZ 3.93Å; L115-F119 PolarHBondContact O-N 3.05Å; M116-F119 HydrophobicContact SD-CD1 4.07Å; F119-A121 VanDerWaalsContact C-N 3.35Å; F119-A121 PolarHBondContact O-N 3.18Å; F119-L122 WeakPolarHBondContact O-CB 3.48Å; F119-L122 PolarHBondContact O-N 3.01Å; F119-L122 VanDerWaalsContact O-N 3.14Å; F119-I123 HydrophobicContact CD1-CG1 4.19Å; F119-I123 HydrophobicContact CD2-CG1 4.47Å; F119-I123 HydrophobicContact CE1-CG1 3.67Å; F119-I123 HydrophobicContact CE2-CD1 4.24Å; F119-I123 HydrophobicContact CE2-CG1 4.01Å; F119-I123 HydrophobicContact CZ-CD1 4.07Å; F119-I123 HydrophobicContact CZ-CG1 3.55Å; F119-I123 WeakPolarHBondContact O-CG1 3.41Å; F119-I123 PolarHBondContact O-N 3.09Å; F119-L148 HydrophobicContact CE1-CD2 3.78Å; F119-L148 HydrophobicContact CZ-CD2 4.02Å; F119-I157 HydrophobicContact CD1-CD1 3.89Å; F119-I157 HydrophobicContact CE1-CD1 3.74Å; F119-I160 HydrophobicContact CD1-CD1 4.3Å; F119-I160 HydrophobicContact CE1-CD1 4.03Å |
| 120 | G | 93.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.7 | -35.3 | -178 | 0 | 0 | 0 | 0 | 0 | 113.6 | M116 S117 M118 L122 I123 S124 | M116-G120 PolarHBondContact O-N 3.45Å; S117-G120 PolarHBondContact O-N 3.04Å; M118-G120 VanDerWaalsContact C-N 3.34Å; M118-G120 PolarHBondContact O-N 3.19Å; G120-L122 VanDerWaalsContact C-N 3.28Å; G120-L122 PolarHBondContact O-N 3.24Å; G120-I123 PolarHBondContact O-N 3.07Å; G120-S124 VanDerWaalsContact O-CB 3.31Å; G120-S124 WeakPolarHBondContact O-CB 3.49Å; G120-S124 PolarHBondContact O-N 3.49Å; G120-S124 PolarHBondContact O-OG 3.37Å |
| 121 | A | 92 | Very high | 90.6 | Very high | 27 Ų | 27 | 32.6 Ų | 32.6 | 22% | 0.223 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63 | -34.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | V77 K81 S117 M118 F119 A125 | V77-A121 HydrophobicContact CG1-CB 4.19Å; K81-A121 HydrophobicContact CD-CB 4.48Å; S117-A121 VanDerWaalsContact O-CB 3.28Å; S117-A121 WeakPolarHBondContact O-CB 3.47Å; S117-A121 PolarHBondContact O-N 3.46Å; M118-A121 PolarHBondContact O-N 3.03Å; F119-A121 VanDerWaalsContact C-N 3.35Å; F119-A121 PolarHBondContact O-N 3.18Å; A121-A125 VanDerWaalsContact O-CB 3.3Å; A121-A125 WeakPolarHBondContact O-CB 3.21Å; A121-A125 PolarHBondContact O-N 3.39Å |
| 122 | L | 93.8 | Very high | 90.6 | Very high | 2 Ų | 2 | 35.3 Ų | 35.3 | 1% | 0.01 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -70.4 | -49.1 | 175.8 | -175.3 | 72 | 0 | 0 | 0 | 111.3 | L58 L80 L88 L91 F92 L101 M118 F119 G120 A125 G126 | L58-L122 HydrophobicContact CD1-CD2 3.7Å; L80-L122 HydrophobicContact CB-CD1 3.84Å; L80-L122 HydrophobicContact CD1-CD1 4.17Å; L88-L122 HydrophobicContact CD2-CD1 3.52Å; L88-L122 HydrophobicContact CD2-CG 4.41Å; L91-L122 HydrophobicContact CD1-CD1 4.4Å; L91-L122 HydrophobicContact CD1-CD2 4.21Å; L91-L122 HydrophobicContact CD2-CD2 4.27Å; F92-L122 HydrophobicContact CZ-CG 4.28Å; L101-L122 HydrophobicContact CD2-CD2 4.24Å; M118-L122 PolarHBondContact O-N 3.1Å; F119-L122 WeakPolarHBondContact O-CB 3.48Å; F119-L122 PolarHBondContact O-N 3.01Å; F119-L122 VanDerWaalsContact O-N 3.14Å; G120-L122 VanDerWaalsContact C-N 3.28Å; G120-L122 PolarHBondContact O-N 3.24Å; L122-A125 PolarHBondContact O-N 3.18Å; L122-G126 PolarHBondContact O-N 3.4Å |
| 123 | I | 94 | Very high | 90.6 | Very high | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65 | -44.7 | 180 | -59.6 | -55.3 | 0 | 0 | 0 | 111.3 | F92 L101 F119 G120 A125 G126 L127 V134 M138 I160 | F92-I123 HydrophobicContact CE1-CD1 3.73Å; F92-I123 HydrophobicContact CZ-CD1 4.16Å; L101-I123 HydrophobicContact CD1-CD1 4.37Å; F119-I123 HydrophobicContact CD1-CG1 4.19Å; F119-I123 HydrophobicContact CD2-CG1 4.47Å; F119-I123 HydrophobicContact CE1-CG1 3.67Å; F119-I123 HydrophobicContact CE2-CD1 4.24Å; F119-I123 HydrophobicContact CE2-CG1 4.01Å; F119-I123 HydrophobicContact CZ-CD1 4.07Å; F119-I123 HydrophobicContact CZ-CG1 3.55Å; F119-I123 WeakPolarHBondContact O-CG1 3.41Å; F119-I123 PolarHBondContact O-N 3.09Å; G120-I123 PolarHBondContact O-N 3.07Å; I123-A125 VanDerWaalsContact C-N 3.32Å; I123-A125 PolarHBondContact O-N 3.12Å; I123-G126 CarbonylContact O-C 2.99Å; I123-G126 WeakPolarHBondContact O-CA 3.42Å; I123-G126 PolarHBondContact O-N 3.4Å; I123-L127 HydrophobicContact CG2-CD1 4.22Å; I123-L127 HydrophobicContact CG2-CG 4.43Å; I123-L127 WeakPolarHBondContact O-CG 3.24Å; I123-L127 PolarHBondContact O-N 3.42Å; I123-V134 HydrophobicContact CG2-CG1 4.42Å; I123-M138 HydrophobicContact CG2-CE 4.49Å; I123-I160 HydrophobicContact CB-CD1 4.06Å; I123-I160 HydrophobicContact CB-CG1 4.38Å; I123-I160 HydrophobicContact CG2-CD1 4.26Å; I123-I160 HydrophobicContact CG2-CG1 4.24Å; I123-I160 HydrophobicContact CG2-CG2 3.65Å |
| 124 | S | 91.2 | Very high | 90.7 | Very high | 18 Ų | 18 | 26.9 Ų | 26.9 | 13% | 0.126 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.6 | -42.2 | 176 | -74 | 0 | 0 | 0 | 0 | 112 | G120 G126 L127 E128 E163 | G120-S124 VanDerWaalsContact O-CB 3.31Å; G120-S124 WeakPolarHBondContact O-CB 3.49Å; G120-S124 PolarHBondContact O-N 3.49Å; G120-S124 PolarHBondContact O-OG 3.37Å; S124-G126 VanDerWaalsContact C-N 3.27Å; S124-G126 PolarHBondContact O-N 2.83Å; S124-L127 PolarHBondContact O-N 3.38Å; S124-E128 WeakPolarHBondContact O-CB 3.26Å; S124-E128 PolarHBondContact O-N 2.9Å; S124-E163 WeakPolarHBondContact CA-OE2 3.38Å; S124-E163 WeakPolarHBondContact CB-OE2 3.24Å; S124-E163 PolarHBondContact OG-OE2 3.31Å |
| 125 | A | 91.4 | Very high | 90.6 | Very high | 5 Ų | 5 | 25.8 Ų | 25.8 | 4% | 0.041 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.3 | -34.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | K81 L88 A121 L122 I123 N129 | K81-A125 HydrophobicContact CB-CB 4.39Å; K81-A125 HydrophobicContact CD-CB 4.08Å; K81-A125 HydrophobicContact CG-CB 3.7Å; L88-A125 HydrophobicContact CD1-CB 3.94Å; A121-A125 VanDerWaalsContact O-CB 3.3Å; A121-A125 WeakPolarHBondContact O-CB 3.21Å; A121-A125 PolarHBondContact O-N 3.39Å; L122-A125 PolarHBondContact O-N 3.18Å; I123-A125 VanDerWaalsContact C-N 3.32Å; I123-A125 PolarHBondContact O-N 3.12Å; A125-N129 WeakPolarHBondContact O-CB 3.45Å; A125-N129 PolarHBondContact O-N 2.94Å; A125-N129 PolarHBondContact O-ND2 3.18Å |
| 126 | G | 91.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.3 | -44.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L122 I123 S124 E128 C130 V134 | L122-G126 PolarHBondContact O-N 3.4Å; I123-G126 CarbonylContact O-C 2.99Å; I123-G126 WeakPolarHBondContact O-CA 3.42Å; I123-G126 PolarHBondContact O-N 3.4Å; S124-G126 VanDerWaalsContact C-N 3.27Å; S124-G126 PolarHBondContact O-N 2.83Å; G126-E128 VanDerWaalsContact C-N 3.28Å; G126-E128 PolarHBondContact O-N 2.91Å; G126-C130 CarbonylContact O-C 3.53Å; G126-C130 WeakPolarHBondContact O-CA 3.44Å; G126-C130 PolarHBondContact O-N 3.24Å; G126-C130 PolarHBondContact O-SG 3.02Å; G126-C130 VanDerWaalsContact O-SG 3.41Å; G126-V134 VanDerWaalsContact C-CG2 3.45Å |
| 127 | L | 89.1 | Confident | 90.1 | Very high | 11 Ų | 11 | 28.2 Ų | 28.2 | 6% | 0.058 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -64.5 | -33.6 | 177 | -68.8 | 171.9 | 0 | 0 | 0 | 112.2 | I123 S124 P131 V134 L135 I160 E163 M164 L167 | I123-L127 HydrophobicContact CG2-CD1 4.22Å; I123-L127 HydrophobicContact CG2-CG 4.43Å; I123-L127 WeakPolarHBondContact O-CG 3.24Å; I123-L127 PolarHBondContact O-N 3.42Å; S124-L127 PolarHBondContact O-N 3.38Å; L127-P131 WeakPolarHBondContact O-CB 3.49Å; L127-V134 HydrophobicContact CD2-CB 4.05Å; L127-V134 HydrophobicContact CD2-CG1 3.61Å; L127-V134 HydrophobicContact CG-CG1 4.09Å; L127-L135 HydrophobicContact CD2-CD2 4.4Å; L127-I160 HydrophobicContact CD1-CG2 4.3Å; L127-E163 HydrophobicContact CD1-CB 4.04Å; L127-M164 HydrophobicContact CD1-CG 3.81Å; L127-M164 HydrophobicContact CD2-CG 4.02Å; L127-L167 HydrophobicContact CD2-CD2 3.88Å |
| 128 | E | 86.5 | Confident | 89.8 | Confident | 157 Ų | 157 | 26.5 Ų | 26.5 | 73% | 0.734 | 14% | 0.143 | S | C | * | . | H | α-helix | trans | -73.7 | -46.7 | 176.7 | -173.5 | 176.7 | -172.3 | 0 | 0 | 112.6 | S124 G126 | S124-E128 WeakPolarHBondContact O-CB 3.26Å; S124-E128 PolarHBondContact O-N 2.9Å; G126-E128 VanDerWaalsContact C-N 3.28Å; G126-E128 PolarHBondContact O-N 2.91Å |
| 129 | N | 87.1 | Confident | 89.3 | Confident | 83 Ų | 83 | 27.4 Ų | 27.4 | 44% | 0.444 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -98.6 | -30.1 | -169.6 | -63.8 | -64.9 | 0 | 0 | 0 | 114.7 | L88 A125 | L88-N129 HydrophobicContact CD1-CB 4.32Å; A125-N129 WeakPolarHBondContact O-CB 3.45Å; A125-N129 PolarHBondContact O-N 2.94Å; A125-N129 PolarHBondContact O-ND2 3.18Å |
| 130 | C | 89.2 | Confident | 88.7 | Confident | 5 Ų | 5 | 32 Ų | 32 | 3% | 0.034 | 18% | 0.178 | C | C | . | . | trans | -145.1 | 60.9 | -175.6 | 62.1 | 0 | 0 | 0 | 0 | 111.6 | P89 G126 I132 E133 V134 | P89-C130 HydrophobicContact CG-CB 3.9Å; G126-C130 CarbonylContact O-C 3.53Å; G126-C130 WeakPolarHBondContact O-CA 3.44Å; G126-C130 PolarHBondContact O-N 3.24Å; G126-C130 PolarHBondContact O-SG 3.02Å; G126-C130 VanDerWaalsContact O-SG 3.41Å; C130-I132 VanDerWaalsContact C-N 3.29Å; C130-I132 PolarHBondContact O-N 2.96Å; C130-E133 WeakPolarHBondContact CA-OE2 3.43Å; C130-E133 HydrophobicContact CB-CB 4.39Å; C130-E133 HydrophobicContact CB-CG 4.47Å; C130-E133 VanDerWaalsContact CB-OE2 3.31Å; C130-E133 WeakPolarHBondContact CB-OE2 3.48Å; C130-E133 PolarHBondContact O-N 3.42Å; C130-V134 PolarHBondContact O-N 2.7Å | ||
| 131 | P | 87.8 | Confident | 88.2 | Confident | 27 Ų | 27 | 35 Ų | 35 | 18% | 0.175 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.3 | -34.2 | -172.3 | 20.2 | -32.1 | 0 | 0 | 0 | 113.8 | L127 E133 V134 L135 L167 V174 | L127-P131 WeakPolarHBondContact O-CB 3.49Å; P131-E133 VanDerWaalsContact C-N 3.35Å; P131-V134 PolarHBondContact O-N 3.5Å; P131-L135 WeakPolarHBondContact O-CB 3.42Å; P131-L135 WeakPolarHBondContact O-CG 3.44Å; P131-L135 PolarHBondContact O-N 2.82Å; P131-L167 HydrophobicContact CB-CD1 4.14Å; P131-L167 HydrophobicContact CB-CD2 3.6Å; P131-L167 HydrophobicContact CB-CG 4.43Å; P131-V174 HydrophobicContact CB-CG2 4.44Å; P131-V174 HydrophobicContact CG-CG2 4.41Å |
| 132 | I | 86.3 | Confident | 87.4 | Confident | 75 Ų | 75 | 41.9 Ų | 41.9 | 39% | 0.385 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -64.3 | -44.3 | -178.4 | -63 | 174.7 | 0 | 0 | 0 | 109.6 | C130 L135 T136 V174 | C130-I132 VanDerWaalsContact C-N 3.29Å; C130-I132 PolarHBondContact O-N 2.96Å; I132-L135 PolarHBondContact O-N 2.78Å; I132-T136 VanDerWaalsContact O-CB 3.25Å; I132-T136 WeakPolarHBondContact O-CB 3.5Å; I132-T136 PolarHBondContact O-N 3.33Å; I132-T136 PolarHBondContact O-OG1 3.43Å; I132-V174 HydrophobicContact CG1-CG2 4.25Å |
| 133 | E | 89.3 | Confident | 87 | Confident | 62 Ų | 62 | 46.1 Ų | 46.1 | 29% | 0.29 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -64.8 | -45.6 | -180 | -68.2 | 80.1 | 175.4 | 0 | 0 | 111.5 | P89 F92 C130 P131 T136 M137 | P89-E133 HydrophobicContact CB-CG 4.18Å; F92-E133 HydrophobicContact CB-CB 4.21Å; C130-E133 WeakPolarHBondContact CA-OE2 3.43Å; C130-E133 HydrophobicContact CB-CB 4.39Å; C130-E133 HydrophobicContact CB-CG 4.47Å; C130-E133 VanDerWaalsContact CB-OE2 3.31Å; C130-E133 WeakPolarHBondContact CB-OE2 3.48Å; C130-E133 PolarHBondContact O-N 3.42Å; P131-E133 VanDerWaalsContact C-N 3.35Å; E133-T136 PolarHBondContact O-N 2.88Å; E133-M137 WeakPolarHBondContact O-CB 3.41Å; E133-M137 PolarHBondContact O-N 3.17Å |
| 134 | V | 89.4 | Confident | 86.7 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.3 | -45 | 178 | 177.2 | 0 | 0 | 0 | 0 | 111.4 | F92 I123 G126 L127 C130 P131 M137 M138 | F92-V134 HydrophobicContact CD1-CG2 4.45Å; F92-V134 HydrophobicContact CD2-CG2 3.66Å; F92-V134 HydrophobicContact CE1-CG2 4.41Å; F92-V134 HydrophobicContact CE2-CG2 3.62Å; F92-V134 HydrophobicContact CG-CG2 4.1Å; F92-V134 HydrophobicContact CZ-CG2 4.02Å; I123-V134 HydrophobicContact CG2-CG1 4.42Å; G126-V134 VanDerWaalsContact C-CG2 3.45Å; L127-V134 HydrophobicContact CD2-CB 4.05Å; L127-V134 HydrophobicContact CD2-CG1 3.61Å; L127-V134 HydrophobicContact CG-CG1 4.09Å; C130-V134 PolarHBondContact O-N 2.7Å; P131-V134 PolarHBondContact O-N 3.5Å; V134-M137 HydrophobicContact CG1-CE 4.19Å; V134-M137 WeakPolarHBondContact O-CB 2.93Å; V134-M137 PolarHBondContact O-N 3.05Å; V134-M138 HydrophobicContact CG1-CE 4.11Å; V134-M138 WeakPolarHBondContact O-CG 3.48Å; V134-M138 PolarHBondContact O-N 3.36Å |
| 135 | L | 86.4 | Confident | 86.4 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -72.6 | -33.2 | 179.4 | -65.7 | -178.7 | 0 | 0 | 0 | 112.1 | L127 P131 I132 M137 M138 V139 M164 L167 V174 L178 L183 | L127-L135 HydrophobicContact CD2-CD2 4.4Å; P131-L135 WeakPolarHBondContact O-CB 3.42Å; P131-L135 WeakPolarHBondContact O-CG 3.44Å; P131-L135 PolarHBondContact O-N 2.82Å; I132-L135 PolarHBondContact O-N 2.78Å; L135-M137 VanDerWaalsContact C-N 3.33Å; L135-M138 PolarHBondContact O-N 2.95Å; L135-V139 WeakPolarHBondContact O-CG2 3.47Å; L135-V139 PolarHBondContact O-N 2.89Å; L135-M164 HydrophobicContact CD2-CE 3.61Å; L135-M164 HydrophobicContact CD2-CG 4.41Å; L135-L167 HydrophobicContact CD1-CD2 4.02Å; L135-L167 HydrophobicContact CG-CD2 4.46Å; L135-V174 HydrophobicContact CD1-CG1 3.33Å; L135-L178 HydrophobicContact CB-CD1 3.32Å; L135-L178 HydrophobicContact CD1-CD1 3.97Å; L135-L178 HydrophobicContact CG-CD1 4.32Å; L135-L183 HydrophobicContact CB-CD2 4.47Å; L135-L183 HydrophobicContact CD1-CD1 4.5Å; L135-L183 HydrophobicContact CD1-CD2 4.26Å; L135-L183 HydrophobicContact CD2-CD2 4.43Å |
| 136 | T | 86.1 | Confident | 86 | Confident | 56 Ų | 56 | 48.6 Ų | 48.6 | 34% | 0.344 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.7 | -44.6 | 170.9 | -57.8 | 0 | 0 | 0 | 0 | 110.4 | I132 E133 M138 V139 T140 L178 | I132-T136 VanDerWaalsContact O-CB 3.25Å; I132-T136 WeakPolarHBondContact O-CB 3.5Å; I132-T136 PolarHBondContact O-N 3.33Å; I132-T136 PolarHBondContact O-OG1 3.43Å; E133-T136 PolarHBondContact O-N 2.88Å; T136-M138 VanDerWaalsContact C-N 3.3Å; T136-M138 PolarHBondContact O-N 3.4Å; T136-V139 PolarHBondContact O-N 3.14Å; T136-T140 HydrophobicContact CG2-CG2 4.19Å; T136-T140 WeakPolarHBondContact O-CB 3.37Å; T136-T140 VanDerWaalsContact O-CG2 3.26Å; T136-T140 WeakPolarHBondContact O-CG2 3.42Å; T136-T140 PolarHBondContact O-N 3.3Å; T136-T140 PolarHBondContact O-OG1 3.45Å; T136-L178 WeakPolarHBondContact OG1-CD2 3.22Å |
| 137 | M | 88.8 | Confident | 86 | Confident | 4 Ų | 4 | 49.3 Ų | 49.3 | 2% | 0.02 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -55.8 | -45.5 | 172.8 | 172.4 | -162.1 | 72 | 0 | 0 | 111.1 | F92 V98 L101 E133 V134 L135 T140 R141 M144 | F92-M137 HydrophobicContact CD1-CE 4.41Å; F92-M137 HydrophobicContact CD1-SD 3.73Å; F92-M137 HydrophobicContact CE1-SD 4.39Å; V98-M137 HydrophobicContact CB-CG 4.22Å; V98-M137 HydrophobicContact CG1-CG 3.54Å; V98-M137 HydrophobicContact CG1-SD 4.13Å; V98-M137 HydrophobicContact CG2-CB 4.43Å; V98-M137 HydrophobicContact CG2-CG 3.59Å; V98-M137 HydrophobicContact CG2-SD 3.95Å; L101-M137 HydrophobicContact CD1-SD 3.84Å; E133-M137 WeakPolarHBondContact O-CB 3.41Å; E133-M137 PolarHBondContact O-N 3.17Å; V134-M137 HydrophobicContact CG1-CE 4.19Å; V134-M137 WeakPolarHBondContact O-CB 2.93Å; V134-M137 PolarHBondContact O-N 3.05Å; L135-M137 VanDerWaalsContact C-N 3.33Å; M137-T140 WeakPolarHBondContact CA-OG1 3.15Å; M137-T140 PolarHBondContact O-OG1 3.33Å; M137-R141 PolarHBondContact O-N 2.62Å; M137-M144 HydrophobicContact CE-CE 4.14Å; M137-M144 HydrophobicContact CE-CG 4.44Å; M137-M144 HydrophobicContact CG-CE 4.5Å; M137-M144 HydrophobicContact SD-CE 4.02Å |
| 138 | M | 84.5 | Confident | 86 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67.1 | -39.7 | -180 | -60.6 | -121.9 | -171.5 | 0 | 0 | 113.1 | I123 V134 L135 T136 R141 K142 M144 L148 M164 L186 | I123-M138 HydrophobicContact CG2-CE 4.49Å; V134-M138 HydrophobicContact CG1-CE 4.11Å; V134-M138 WeakPolarHBondContact O-CG 3.48Å; V134-M138 PolarHBondContact O-N 3.36Å; L135-M138 PolarHBondContact O-N 2.95Å; T136-M138 VanDerWaalsContact C-N 3.3Å; T136-M138 PolarHBondContact O-N 3.4Å; M138-R141 CarbonylContact O-C 3.54Å; M138-R141 VanDerWaalsContact O-O 3.06Å; M138-K142 PolarHBondContact O-N 2.98Å; M138-M144 HydrophobicContact SD-CG 4.16Å; M138-L148 HydrophobicContact CE-CD1 3.6Å; M138-L148 HydrophobicContact SD-CD1 3.86Å; M138-M164 HydrophobicContact CB-CE 4.44Å; M138-M164 HydrophobicContact CE-CE 3.52Å; M138-M164 HydrophobicContact CE-SD 3.32Å; M138-M164 WeakPolarHBondContact CE-SD 3.19Å; M138-M164 HydrophobicContact CG-CE 3.93Å; M138-M164 HydrophobicContact SD-CE 3.12Å; M138-M164 WeakPolarHBondContact SD-CE 3.18Å; M138-M164 HydrophobicContact SD-SD 3.66Å; M138-M164 VanDerWaalsContact SD-SD 3.66Å; M138-L186 HydrophobicContact CB-CD1 4.34Å; M138-L186 HydrophobicContact CB-CD2 3.94Å |
| 139 | V | 82.1 | Confident | 86 | Confident | 40 Ų | 40 | 43.1 Ų | 43.1 | 24% | 0.242 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -68.9 | -42.8 | 178.3 | 170.6 | 0 | 0 | 0 | 0 | 111 | L135 T136 R141 C182 L183 | L135-V139 WeakPolarHBondContact O-CG2 3.47Å; L135-V139 PolarHBondContact O-N 2.89Å; T136-V139 PolarHBondContact O-N 3.14Å; V139-R141 VanDerWaalsContact C-N 3.31Å; V139-R141 PolarHBondContact O-N 3.48Å; V139-C182 HydrophobicContact CG1-CB 4.43Å; V139-C182 HydrophobicContact CG2-CB 4.46Å; V139-L183 HydrophobicContact CG2-CD2 4.34Å |
| 140 | T | 82.8 | Confident | 86 | Confident | 98 Ų | 98 | 44.2 Ų | 44.2 | 60% | 0.601 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -67.3 | -32.7 | 177.8 | 52.6 | 0 | 0 | 0 | 0 | 112 | T136 M137 | T136-T140 HydrophobicContact CG2-CG2 4.19Å; T136-T140 WeakPolarHBondContact O-CB 3.37Å; T136-T140 VanDerWaalsContact O-CG2 3.26Å; T136-T140 WeakPolarHBondContact O-CG2 3.42Å; T136-T140 PolarHBondContact O-N 3.3Å; T136-T140 PolarHBondContact O-OG1 3.45Å; M137-T140 WeakPolarHBondContact CA-OG1 3.15Å; M137-T140 PolarHBondContact O-OG1 3.33Å |
| 141 | R | 83.9 | Confident | 86 | Confident | 62 Ų | 62 | 45.8 Ų | 45.8 | 23% | 0.234 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.1 | 77 | 174.6 | -67.9 | -68 | -71.5 | -82.6 | 7.5 | 111.3 | V98 N99 M137 M138 V139 E143 M144 | V98-R141 HydrophobicContact CG1-CB 4.44Å; V98-R141 HydrophobicContact CG1-CG 3.83Å; N99-R141 PolarHBondContact OD1-NH1 3.4Å; N99-R141 PolarHBondContact OD1-NH2 2.94Å; M137-R141 PolarHBondContact O-N 2.62Å; M138-R141 CarbonylContact O-C 3.54Å; M138-R141 VanDerWaalsContact O-O 3.06Å; V139-R141 VanDerWaalsContact C-N 3.31Å; V139-R141 PolarHBondContact O-N 3.48Å; R141-E143 IonicContact CZ-OE1 3.01Å; R141-E143 IonicContact NE-OE1 2.68Å; R141-E143 PolarHBondContact NE-OE1 3.37Å; R141-E143 IonicContact NH2-OE1 2.65Å; R141-E143 PolarHBondContact NH2-OE1 3.38Å; R141-E143 PolarHBondContact O-N 3.17Å; R141-M144 HydrophobicContact CB-CB 4.4Å; R141-M144 WeakPolarHBondContact O-CB 3.34Å; R141-M144 PolarHBondContact O-N 3.47Å |
| 142 | K | 75 | Confident | 86 | Confident | 171 Ų | 171 | 44.5 Ų | 44.5 | 74% | 0.743 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -48.9 | -31 | -179.2 | -64.4 | -172.6 | 177.6 | -173.1 | 0 | 114.3 | M138 M144 | M138-K142 PolarHBondContact O-N 2.98Å; K142-M144 VanDerWaalsContact C-N 3.31Å; K142-M144 PolarHBondContact O-N 3.19Å |
| 143 | E | 85.4 | Confident | 85.9 | Confident | 92 Ų | 92 | 42.9 Ų | 42.9 | 43% | 0.43 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -67.7 | -26.2 | 176.8 | 71.8 | -164.1 | 169.1 | 0 | 0 | 113.6 | R141 F145 C146 L147 | R141-E143 IonicContact CZ-OE1 3.01Å; R141-E143 IonicContact NE-OE1 2.68Å; R141-E143 PolarHBondContact NE-OE1 3.37Å; R141-E143 IonicContact NH2-OE1 2.65Å; R141-E143 PolarHBondContact NH2-OE1 3.38Å; R141-E143 PolarHBondContact O-N 3.17Å; E143-F145 VanDerWaalsContact C-N 3.27Å; E143-F145 PolarHBondContact O-N 3.48Å; E143-C146 CarbonylContact O-C 3.4Å; E143-C146 WeakPolarHBondContact O-CA 3.41Å; E143-C146 WeakPolarHBondContact O-CB 3.38Å; E143-C146 PolarHBondContact O-N 3.29Å; E143-L147 HydrophobicContact CG-CD1 4.34Å; E143-L147 WeakPolarHBondContact O-CG 3.02Å; E143-L147 PolarHBondContact O-N 3.11Å |
| 144 | M | 87.7 | Confident | 85.9 | Confident | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -55.4 | -43.9 | -178.2 | -175.8 | 69.1 | 83.4 | 0 | 0 | 111.3 | V98 L101 C102 L105 M137 M138 R141 K142 L147 L148 | V98-M144 HydrophobicContact CG1-CE 4.08Å; L101-M144 HydrophobicContact CB-CE 3.8Å; C102-M144 HydrophobicContact CB-CE 4.49Å; C102-M144 WeakPolarHBondContact SG-CE 3.33Å; L105-M144 HydrophobicContact CD1-SD 3.62Å; M137-M144 HydrophobicContact CE-CE 4.14Å; M137-M144 HydrophobicContact CE-CG 4.44Å; M137-M144 HydrophobicContact CG-CE 4.5Å; M137-M144 HydrophobicContact SD-CE 4.02Å; M138-M144 HydrophobicContact SD-CG 4.16Å; R141-M144 HydrophobicContact CB-CB 4.4Å; R141-M144 WeakPolarHBondContact O-CB 3.34Å; R141-M144 PolarHBondContact O-N 3.47Å; K142-M144 VanDerWaalsContact C-N 3.31Å; K142-M144 PolarHBondContact O-N 3.19Å; M144-L147 WeakPolarHBondContact O-CB 3.45Å; M144-L147 PolarHBondContact O-N 2.86Å; M144-L148 WeakPolarHBondContact O-CG 3.26Å; M144-L148 PolarHBondContact O-N 3.36Å |
| 145 | F | 83.7 | Confident | 85.8 | Confident | 5 Ų | 5 | 44.5 Ų | 44.5 | 2% | 0.022 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -70.3 | -34.4 | 177.9 | -168.1 | -108.4 | 0 | 0 | 0 | 112.6 | E143 L147 L148 K149 I161 M164 L186 L187 | E143-F145 VanDerWaalsContact C-N 3.27Å; E143-F145 PolarHBondContact O-N 3.48Å; F145-L147 VanDerWaalsContact C-N 3.34Å; F145-L148 HydrophobicContact CD2-CD1 4.5Å; F145-L148 PolarHBondContact O-N 2.91Å; F145-K149 HydrophobicContact CD1-CD 3.8Å; F145-K149 HydrophobicContact CD1-CG 4.26Å; F145-K149 HydrophobicContact CE1-CD 3.69Å; F145-K149 HydrophobicContact CE1-CG 4.08Å; F145-K149 HydrophobicContact CZ-CG 4.48Å; F145-K149 WeakPolarHBondContact O-CB 3.38Å; F145-K149 WeakPolarHBondContact O-CG 3.17Å; F145-K149 PolarHBondContact O-N 3.48Å; F145-I161 HydrophobicContact CE2-CG1 4.31Å; F145-I161 HydrophobicContact CE2-CG2 4.22Å; F145-I161 HydrophobicContact CZ-CG2 4.21Å; F145-M164 HydrophobicContact CD2-CE 4.22Å; F145-M164 HydrophobicContact CD2-SD 4.39Å; F145-M164 HydrophobicContact CE2-CE 4.43Å; F145-M164 HydrophobicContact CE2-SD 4.36Å; F145-L186 HydrophobicContact CB-CD1 3.68Å; F145-L186 HydrophobicContact CB-CG 4.29Å; F145-L186 WeakPolarHBondContact CD1-O 3.25Å; F145-L186 HydrophobicContact CD2-CG 4.42Å; F145-L186 WeakPolarHBondContact CE1-O 3.4Å; F145-L186 HydrophobicContact CG-CD1 4.12Å; F145-L186 HydrophobicContact CG-CG 4.21Å; F145-L187 HydrophobicContact CE2-CD2 4.32Å; F145-L187 HydrophobicContact CZ-CD2 4.31Å |
| 146 | C | 84.2 | Confident | 86 | Confident | 70 Ų | 70 | 46.1 Ų | 46.1 | 47% | 0.473 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.5 | -41.6 | 171.5 | -64.9 | 0 | 0 | 0 | 0 | 111.2 | E143 K149 N150 | E143-C146 CarbonylContact O-C 3.4Å; E143-C146 WeakPolarHBondContact O-CA 3.41Å; E143-C146 WeakPolarHBondContact O-CB 3.38Å; E143-C146 PolarHBondContact O-N 3.29Å; C146-K149 WeakPolarHBondContact O-CB 3.44Å; C146-K149 PolarHBondContact O-N 3.17Å; C146-N150 PolarHBondContact O-N 3.03Å; C146-N150 PolarHBondContact O-ND2 3.26Å; C146-N150 PolarHBondContact O-OD1 2.95Å |
| 147 | L | 90.6 | Very high | 86.2 | Confident | 16 Ų | 16 | 43.5 Ų | 43.5 | 8% | 0.084 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.2 | -43.8 | 175.8 | -68.1 | 174.1 | 0 | 0 | 0 | 111.3 | C102 L105 D106 E143 M144 F145 N150 R151 | C102-L147 HydrophobicContact CB-CD1 4.06Å; L105-L147 HydrophobicContact CB-CB 3.8Å; L105-L147 HydrophobicContact CB-CD1 4.24Å; L105-L147 HydrophobicContact CB-CG 4.48Å; L105-L147 HydrophobicContact CD1-CB 3.94Å; D106-L147 HydrophobicContact CB-CD1 4.34Å; D106-L147 HydrophobicContact CB-CD2 3.85Å; D106-L147 WeakPolarHBondContact OD1-CD2 3.45Å; E143-L147 HydrophobicContact CG-CD1 4.34Å; E143-L147 WeakPolarHBondContact O-CG 3.02Å; E143-L147 PolarHBondContact O-N 3.11Å; M144-L147 WeakPolarHBondContact O-CB 3.45Å; M144-L147 PolarHBondContact O-N 2.86Å; F145-L147 VanDerWaalsContact C-N 3.34Å; L147-N150 PolarHBondContact O-N 3.47Å; L147-R151 WeakPolarHBondContact O-CG 3.38Å; L147-R151 PolarHBondContact O-N 3.28Å |
| 148 | L | 89.8 | Confident | 86.1 | Confident | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.1 | -46.9 | 172.6 | -69.7 | 171.3 | 0 | 0 | 0 | 111.5 | L105 F119 M138 M144 F145 N150 R151 I152 I157 I160 I161 M164 | L105-L148 HydrophobicContact CD1-CD2 3.79Å; L105-L148 HydrophobicContact CD1-CG 4.03Å; L105-L148 HydrophobicContact CD2-CD2 4.34Å; F119-L148 HydrophobicContact CE1-CD2 3.78Å; F119-L148 HydrophobicContact CZ-CD2 4.02Å; M138-L148 HydrophobicContact CE-CD1 3.6Å; M138-L148 HydrophobicContact SD-CD1 3.86Å; M144-L148 WeakPolarHBondContact O-CG 3.26Å; M144-L148 PolarHBondContact O-N 3.36Å; F145-L148 HydrophobicContact CD2-CD1 4.5Å; F145-L148 PolarHBondContact O-N 2.91Å; L148-N150 VanDerWaalsContact C-N 3.28Å; L148-N150 PolarHBondContact O-N 2.89Å; L148-R151 CarbonylContact O-C 3.43Å; L148-R151 WeakPolarHBondContact O-CA 3.18Å; L148-R151 PolarHBondContact O-N 3.29Å; L148-I152 PolarHBondContact O-N 2.76Å; L148-I157 HydrophobicContact CB-CG2 4.18Å; L148-I157 HydrophobicContact CD2-CD1 3.78Å; L148-I157 HydrophobicContact CD2-CG2 4.15Å; L148-I157 WeakPolarHBondContact O-CG2 3.42Å; L148-I160 HydrophobicContact CD1-CG2 4.43Å; L148-I161 HydrophobicContact CB-CD1 4.45Å; L148-I161 HydrophobicContact CB-CG1 4.5Å; L148-M164 HydrophobicContact CD1-SD 4.45Å |
| 149 | K | 85.9 | Confident | 86.3 | Confident | 36 Ų | 36 | 46.9 Ų | 46.9 | 16% | 0.157 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -55.9 | -42.9 | 175.4 | -81.3 | 172.7 | 157.6 | 166.1 | 0 | 112.2 | F145 C146 R151 I152 L195 | F145-K149 HydrophobicContact CD1-CD 3.8Å; F145-K149 HydrophobicContact CD1-CG 4.26Å; F145-K149 HydrophobicContact CE1-CD 3.69Å; F145-K149 HydrophobicContact CE1-CG 4.08Å; F145-K149 HydrophobicContact CZ-CG 4.48Å; F145-K149 WeakPolarHBondContact O-CB 3.38Å; F145-K149 WeakPolarHBondContact O-CG 3.17Å; F145-K149 PolarHBondContact O-N 3.48Å; C146-K149 WeakPolarHBondContact O-CB 3.44Å; C146-K149 PolarHBondContact O-N 3.17Å; K149-R151 PolarHBondContact O-N 3.3Å; K149-I152 WeakPolarHBondContact O-CB 3.47Å; K149-I152 VanDerWaalsContact O-CG2 3.29Å; K149-I152 WeakPolarHBondContact O-CG2 2.97Å; K149-I152 PolarHBondContact O-N 3.2Å; K149-L195 HydrophobicContact CB-CD2 4.43Å; K149-L195 HydrophobicContact CD-CD2 4.48Å; K149-L195 HydrophobicContact CG-CD2 4.22Å |
| 150 | N | 86.5 | Confident | 86.7 | Confident | 106 Ų | 106 | 45 Ų | 45 | 57% | 0.567 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -66.1 | -16 | 177.5 | -66.2 | -13.2 | 0 | 0 | 0 | 113.1 | C146 L147 L148 | C146-N150 PolarHBondContact O-N 3.03Å; C146-N150 PolarHBondContact O-ND2 3.26Å; C146-N150 PolarHBondContact O-OD1 2.95Å; L147-N150 PolarHBondContact O-N 3.47Å; L148-N150 VanDerWaalsContact C-N 3.28Å; L148-N150 PolarHBondContact O-N 2.89Å |
| 151 | R | 88.9 | Confident | 87 | Confident | 38 Ų | 38 | 40.3 Ų | 40.3 | 14% | 0.143 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.5 | 16.7 | 177.9 | -57.3 | -57.7 | -176.6 | 170.7 | 5.5 | 113.4 | L105 A107 G109 M116 L147 L148 K149 S153 Y154 I157 | L105-R151 HydrophobicContact CD2-CG 4.37Å; L105-R151 VanDerWaalsContact O-CZ 3.3Å; L105-R151 PolarHBondContact O-NE 2.85Å; L105-R151 PolarHBondContact O-NH2 3.42Å; A107-R151 PolarHBondContact O-NH2 2.97Å; G109-R151 PolarHBondContact O-NH1 2.78Å; M116-R151 HydrophobicContact CE-CB 4.33Å; M116-R151 HydrophobicContact CE-CG 4.34Å; L147-R151 WeakPolarHBondContact O-CG 3.38Å; L147-R151 PolarHBondContact O-N 3.28Å; L148-R151 CarbonylContact O-C 3.43Å; L148-R151 WeakPolarHBondContact O-CA 3.18Å; L148-R151 PolarHBondContact O-N 3.29Å; K149-R151 PolarHBondContact O-N 3.3Å; R151-S153 PolarHBondContact O-N 3.37Å; R151-Y154 HydrophobicContact CB-CD2 4.25Å; R151-Y154 WeakPolarHBondContact O-CD2 3.35Å; R151-Y154 PolarHBondContact O-N 3.23Å; R151-I157 HydrophobicContact CB-CG1 4.13Å; R151-I157 HydrophobicContact CB-CG2 4.4Å; R151-I157 WeakPolarHBondContact O-CB 3.35Å |
| 152 | I | 88 | Confident | 87.1 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -14.5 | -179.7 | -163.9 | 165.1 | 0 | 0 | 0 | 114.1 | L148 K149 Y154 A158 I161 L195 I198 A201 Q202 L206 | L148-I152 PolarHBondContact O-N 2.76Å; K149-I152 WeakPolarHBondContact O-CB 3.47Å; K149-I152 VanDerWaalsContact O-CG2 3.29Å; K149-I152 WeakPolarHBondContact O-CG2 2.97Å; K149-I152 PolarHBondContact O-N 3.2Å; I152-Y154 PolarHBondContact O-N 3.42Å; I152-A158 HydrophobicContact CG1-CB 4.21Å; I152-I161 HydrophobicContact CD1-CD1 4.17Å; I152-I161 HydrophobicContact CG1-CD1 4.35Å; I152-L195 HydrophobicContact CD1-CB 4.39Å; I152-L195 HydrophobicContact CD1-CD1 3.71Å; I152-I198 HydrophobicContact CG2-CB 4.42Å; I152-I198 HydrophobicContact CG2-CD1 3.99Å; I152-I198 HydrophobicContact CG2-CG2 4.15Å; I152-A201 HydrophobicContact CG2-CB 3.84Å; I152-Q202 PolarHBondContact O-N 2.83Å; I152-L206 HydrophobicContact CD1-CD1 4.02Å |
| 153 | S | 85.7 | Confident | 87.7 | Confident | 41 Ų | 41 | 30.5 Ų | 30.5 | 29% | 0.287 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -15.5 | 171.5 | 55.2 | 0 | 0 | 0 | 0 | 113.7 | R151 D200 Q202 | R151-S153 PolarHBondContact O-N 3.37Å; S153-D200 WeakPolarHBondContact CA-O 3.15Å; S153-Q202 VanDerWaalsContact O-CG 3.31Å; S153-Q202 WeakPolarHBondContact O-CG 3.33Å |
| 154 | Y | 89 | Confident | 87.8 | Confident | 39 Ų | 39 | 26.1 Ų | 26.1 | 15% | 0.153 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -89.1 | 124.6 | 170.6 | -65.5 | -93.1 | 0 | 0 | 0 | 110.4 | I111 M116 R151 I152 V156 I157 A158 | I111-Y154 PolarHBondContact N-OH 3.17Å; I111-Y154 VanDerWaalsContact N-OH 3.14Å; I111-Y154 PolarHBondContact O-OH 3.18Å; M116-Y154 HydrophobicContact CB-CD1 3.95Å; M116-Y154 HydrophobicContact CB-CE1 4.25Å; M116-Y154 HydrophobicContact CB-CG 4.46Å; M116-Y154 HydrophobicContact CE-CD2 4.03Å; M116-Y154 HydrophobicContact CE-CE2 4.17Å; M116-Y154 HydrophobicContact CE-CG 4.32Å; M116-Y154 HydrophobicContact CG-CD1 3.66Å; M116-Y154 HydrophobicContact CG-CD2 4.33Å; M116-Y154 HydrophobicContact CG-CE1 4.32Å; M116-Y154 HydrophobicContact CG-CG 3.68Å; R151-Y154 HydrophobicContact CB-CD2 4.25Å; R151-Y154 WeakPolarHBondContact O-CD2 3.35Å; R151-Y154 PolarHBondContact O-N 3.23Å; I152-Y154 PolarHBondContact O-N 3.42Å; Y154-V156 PolarHBondContact O-N 3.47Å; Y154-V156 VanDerWaalsContact O-N 3.08Å; Y154-I157 WeakPolarHBondContact O-CB 3.36Å; Y154-I157 PolarHBondContact O-N 2.93Å; Y154-A158 PolarHBondContact O-N 2.85Å; Y154-A158 VanDerWaalsContact O-N 3.17Å |
| 155 | P | 86.3 | Confident | 87.5 | Confident | 58 Ų | 58 | 26 Ų | 26 | 38% | 0.377 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -55.8 | -32.4 | -179.3 | -27.3 | 33.3 | 0 | 0 | 0 | 114.1 | I157 A158 K159 Q202 V205 | P155-I157 VanDerWaalsContact C-N 3.32Å; P155-I157 PolarHBondContact O-N 3.42Å; P155-A158 PolarHBondContact O-N 2.87Å; P155-K159 WeakPolarHBondContact O-CB 3.34Å; P155-K159 PolarHBondContact O-N 3.5Å; P155-Q202 HydrophobicContact CG-CG 3.98Å; P155-V205 HydrophobicContact CB-CG1 4.5Å |
| 156 | V | 90.3 | Very high | 87.4 | Confident | 34 Ų | 34 | 26.3 Ų | 26.3 | 21% | 0.206 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -68 | -32.5 | 177.8 | 74.1 | 0 | 0 | 0 | 0 | 112.3 | M116 Y154 K159 I160 | M116-V156 HydrophobicContact CG-CG1 3.64Å; M116-V156 WeakPolarHBondContact O-CG1 3.39Å; Y154-V156 PolarHBondContact O-N 3.47Å; Y154-V156 VanDerWaalsContact O-N 3.08Å; V156-K159 WeakPolarHBondContact O-CB 3.03Å; V156-K159 PolarHBondContact O-N 3.21Å; V156-I160 WeakPolarHBondContact O-CD1 3.03Å; V156-I160 VanDerWaalsContact O-CG1 3.25Å; V156-I160 WeakPolarHBondContact O-CG1 3.13Å; V156-I160 PolarHBondContact O-N 2.94Å |
| 157 | I | 91.5 | Very high | 87.4 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -74.6 | -42.4 | 176.2 | -61.6 | -55.3 | 0 | 0 | 0 | 110.5 | M116 F119 L148 R151 Y154 P155 K159 I160 I161 | M116-I157 HydrophobicContact CE-CG1 4.48Å; M116-I157 HydrophobicContact CG-CD1 4.48Å; M116-I157 HydrophobicContact CG-CG1 4.27Å; M116-I157 HydrophobicContact SD-CD1 3.53Å; M116-I157 VanDerWaalsContact SD-CD1 3.53Å; M116-I157 HydrophobicContact SD-CG1 3.73Å; F119-I157 HydrophobicContact CD1-CD1 3.89Å; F119-I157 HydrophobicContact CE1-CD1 3.74Å; L148-I157 HydrophobicContact CB-CG2 4.18Å; L148-I157 HydrophobicContact CD2-CD1 3.78Å; L148-I157 HydrophobicContact CD2-CG2 4.15Å; L148-I157 WeakPolarHBondContact O-CG2 3.42Å; R151-I157 HydrophobicContact CB-CG1 4.13Å; R151-I157 HydrophobicContact CB-CG2 4.4Å; R151-I157 WeakPolarHBondContact O-CB 3.35Å; Y154-I157 WeakPolarHBondContact O-CB 3.36Å; Y154-I157 PolarHBondContact O-N 2.93Å; P155-I157 VanDerWaalsContact C-N 3.32Å; P155-I157 PolarHBondContact O-N 3.42Å; I157-K159 PolarHBondContact O-N 2.89Å; I157-I160 HydrophobicContact CD1-CD1 3.78Å; I157-I160 PolarHBondContact O-N 3.42Å; I157-I160 VanDerWaalsContact O-N 3.15Å; I157-I161 HydrophobicContact CG2-CD1 3.99Å; I157-I161 HydrophobicContact CG2-CG1 4.43Å; I157-I161 WeakPolarHBondContact O-CG1 3.2Å; I157-I161 PolarHBondContact O-N 2.81Å |
| 158 | A | 86.8 | Confident | 86.8 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -55.8 | -41.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | I152 Y154 P155 A162 Q202 V205 L206 | I152-A158 HydrophobicContact CG1-CB 4.21Å; Y154-A158 PolarHBondContact O-N 2.85Å; Y154-A158 VanDerWaalsContact O-N 3.17Å; P155-A158 PolarHBondContact O-N 2.87Å; A158-A162 WeakPolarHBondContact O-CB 3.36Å; A158-A162 PolarHBondContact O-N 3.22Å; A158-Q202 HydrophobicContact CB-CB 3.94Å; A158-V205 HydrophobicContact CB-CG1 4.48Å; A158-L206 HydrophobicContact CB-CB 4.17Å |
| 159 | K | 88.7 | Confident | 86.1 | Confident | 76 Ų | 76 | 23.6 Ų | 23.6 | 33% | 0.33 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -59.6 | -53.5 | 171.7 | 179.1 | -179.2 | 168.6 | -176.9 | 0 | 111.8 | P155 V156 I157 I161 A162 E163 Q209 | P155-K159 WeakPolarHBondContact O-CB 3.34Å; P155-K159 PolarHBondContact O-N 3.5Å; V156-K159 WeakPolarHBondContact O-CB 3.03Å; V156-K159 PolarHBondContact O-N 3.21Å; I157-K159 PolarHBondContact O-N 2.89Å; K159-I161 VanDerWaalsContact C-N 3.3Å; K159-I161 PolarHBondContact O-N 3.44Å; K159-A162 CarbonylContact O-C 3.59Å; K159-A162 WeakPolarHBondContact O-CA 3.29Å; K159-A162 VanDerWaalsContact O-CB 3.3Å; K159-A162 WeakPolarHBondContact O-CB 3.28Å; K159-A162 PolarHBondContact O-N 2.84Å; K159-E163 WeakPolarHBondContact CE-OE1 3.44Å; K159-E163 HydrophobicContact CG-CG 4.15Å; K159-E163 IonicContact NZ-OE1 3.85Å; K159-E163 WeakPolarHBondContact O-CG 3.23Å; K159-E163 PolarHBondContact O-N 2.97Å; K159-Q209 HydrophobicContact CB-CG 4.12Å; K159-Q209 HydrophobicContact CG-CG 4.16Å |
| 160 | I | 90.6 | Very high | 85.4 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -53.5 | -47.4 | 179.3 | -69.7 | 160.9 | 0 | 0 | 0 | 111.4 | F119 I123 L127 L148 V156 I157 A162 E163 M164 | F119-I160 HydrophobicContact CD1-CD1 4.3Å; F119-I160 HydrophobicContact CE1-CD1 4.03Å; I123-I160 HydrophobicContact CB-CD1 4.06Å; I123-I160 HydrophobicContact CB-CG1 4.38Å; I123-I160 HydrophobicContact CG2-CD1 4.26Å; I123-I160 HydrophobicContact CG2-CG1 4.24Å; I123-I160 HydrophobicContact CG2-CG2 3.65Å; L127-I160 HydrophobicContact CD1-CG2 4.3Å; L148-I160 HydrophobicContact CD1-CG2 4.43Å; V156-I160 WeakPolarHBondContact O-CD1 3.03Å; V156-I160 VanDerWaalsContact O-CG1 3.25Å; V156-I160 WeakPolarHBondContact O-CG1 3.13Å; V156-I160 PolarHBondContact O-N 2.94Å; I157-I160 HydrophobicContact CD1-CD1 3.78Å; I157-I160 PolarHBondContact O-N 3.42Å; I157-I160 VanDerWaalsContact O-N 3.15Å; I160-A162 VanDerWaalsContact C-N 3.3Å; I160-A162 PolarHBondContact O-N 3.01Å; I160-E163 PolarHBondContact O-N 3.16Å; I160-M164 HydrophobicContact CG2-SD 4.21Å; I160-M164 VanDerWaalsContact O-CG 3.31Å; I160-M164 WeakPolarHBondContact O-CG 3.47Å; I160-M164 PolarHBondContact O-N 2.69Å |
| 161 | I | 89 | Confident | 84.9 | Confident | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -61.7 | -41.7 | 178.9 | -63.7 | 168.7 | 0 | 0 | 0 | 110.1 | F145 L148 I152 I157 K159 M164 I165 L206 | F145-I161 HydrophobicContact CE2-CG1 4.31Å; F145-I161 HydrophobicContact CE2-CG2 4.22Å; F145-I161 HydrophobicContact CZ-CG2 4.21Å; L148-I161 HydrophobicContact CB-CD1 4.45Å; L148-I161 HydrophobicContact CB-CG1 4.5Å; I152-I161 HydrophobicContact CD1-CD1 4.17Å; I152-I161 HydrophobicContact CG1-CD1 4.35Å; I157-I161 HydrophobicContact CG2-CD1 3.99Å; I157-I161 HydrophobicContact CG2-CG1 4.43Å; I157-I161 WeakPolarHBondContact O-CG1 3.2Å; I157-I161 PolarHBondContact O-N 2.81Å; K159-I161 VanDerWaalsContact C-N 3.3Å; K159-I161 PolarHBondContact O-N 3.44Å; I161-M164 PolarHBondContact O-N 3.02Å; I161-I165 HydrophobicContact CG2-CD1 3.92Å; I161-I165 HydrophobicContact CG2-CG1 4.48Å; I161-I165 VanDerWaalsContact O-CG1 3.28Å; I161-I165 WeakPolarHBondContact O-CG1 3.42Å; I161-I165 PolarHBondContact O-N 3.01Å; I161-L206 HydrophobicContact CB-CD1 3.89Å; I161-L206 HydrophobicContact CG2-CD1 3.6Å |
| 162 | A | 86.3 | Confident | 83.9 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.4 | -46.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A158 K159 I160 M164 I165 V166 L206 Q209 M210 | A158-A162 WeakPolarHBondContact O-CB 3.36Å; A158-A162 PolarHBondContact O-N 3.22Å; K159-A162 CarbonylContact O-C 3.59Å; K159-A162 WeakPolarHBondContact O-CA 3.29Å; K159-A162 VanDerWaalsContact O-CB 3.3Å; K159-A162 WeakPolarHBondContact O-CB 3.28Å; K159-A162 PolarHBondContact O-N 2.84Å; I160-A162 VanDerWaalsContact C-N 3.3Å; I160-A162 PolarHBondContact O-N 3.01Å; A162-M164 VanDerWaalsContact C-N 3.3Å; A162-M164 PolarHBondContact O-N 3.12Å; A162-I165 PolarHBondContact O-N 3.1Å; A162-I165 VanDerWaalsContact O-N 3.16Å; A162-V166 WeakPolarHBondContact O-CG2 3.44Å; A162-V166 PolarHBondContact O-N 3.13Å; A162-L206 WeakPolarHBondContact CB-O 3.38Å; A162-Q209 HydrophobicContact CB-CB 3.6Å; A162-M210 HydrophobicContact CB-CB 4.47Å; A162-M210 HydrophobicContact CB-CG 3.55Å |
| 163 | E | 87.6 | Confident | 83.2 | Confident | 27 Ų | 27 | 25.8 Ų | 25.8 | 13% | 0.126 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.5 | -39.1 | 178.5 | -20 | -166.3 | 112.5 | 0 | 0 | 111.4 | S124 L127 K159 I160 V166 L167 Q213 | S124-E163 WeakPolarHBondContact CA-OE2 3.38Å; S124-E163 WeakPolarHBondContact CB-OE2 3.24Å; S124-E163 PolarHBondContact OG-OE2 3.31Å; L127-E163 HydrophobicContact CD1-CB 4.04Å; K159-E163 WeakPolarHBondContact CE-OE1 3.44Å; K159-E163 HydrophobicContact CG-CG 4.15Å; K159-E163 IonicContact NZ-OE1 3.85Å; K159-E163 WeakPolarHBondContact O-CG 3.23Å; K159-E163 PolarHBondContact O-N 2.97Å; I160-E163 PolarHBondContact O-N 3.16Å; E163-V166 PolarHBondContact O-N 3.48Å; E163-L167 WeakPolarHBondContact O-CB 3.35Å; E163-L167 PolarHBondContact O-N 3.07Å; E163-Q213 PolarHBondContact OE1-NE2 3.39Å; E163-Q213 VanDerWaalsContact OE1-NE2 3.15Å |
| 164 | M | 86.5 | Confident | 82.5 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.8 | -44.7 | 174.3 | -70.2 | 178 | 74.9 | 0 | 0 | 112.5 | L127 L135 M138 F145 L148 I160 I161 A162 C168 L186 L187 | L127-M164 HydrophobicContact CD1-CG 3.81Å; L127-M164 HydrophobicContact CD2-CG 4.02Å; L135-M164 HydrophobicContact CD2-CE 3.61Å; L135-M164 HydrophobicContact CD2-CG 4.41Å; M138-M164 HydrophobicContact CB-CE 4.44Å; M138-M164 HydrophobicContact CE-CE 3.52Å; M138-M164 HydrophobicContact CE-SD 3.32Å; M138-M164 WeakPolarHBondContact CE-SD 3.19Å; M138-M164 HydrophobicContact CG-CE 3.93Å; M138-M164 HydrophobicContact SD-CE 3.12Å; M138-M164 WeakPolarHBondContact SD-CE 3.18Å; M138-M164 HydrophobicContact SD-SD 3.66Å; M138-M164 VanDerWaalsContact SD-SD 3.66Å; F145-M164 HydrophobicContact CD2-CE 4.22Å; F145-M164 HydrophobicContact CD2-SD 4.39Å; F145-M164 HydrophobicContact CE2-CE 4.43Å; F145-M164 HydrophobicContact CE2-SD 4.36Å; L148-M164 HydrophobicContact CD1-SD 4.45Å; I160-M164 HydrophobicContact CG2-SD 4.21Å; I160-M164 VanDerWaalsContact O-CG 3.31Å; I160-M164 WeakPolarHBondContact O-CG 3.47Å; I160-M164 PolarHBondContact O-N 2.69Å; I161-M164 PolarHBondContact O-N 3.02Å; A162-M164 VanDerWaalsContact C-N 3.3Å; A162-M164 PolarHBondContact O-N 3.12Å; M164-C168 WeakPolarHBondContact O-CB 3.19Å; M164-C168 PolarHBondContact O-N 3.41Å; M164-C168 PolarHBondContact O-SG 3.15Å; M164-L186 HydrophobicContact CE-CD2 3.9Å; M164-L187 HydrophobicContact CB-CD2 4.2Å |
| 165 | I | 82.5 | Confident | 81.4 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.1 | -47.2 | 178.7 | -65.4 | 163.6 | 0 | 0 | 0 | 110.2 | I161 A162 C168 S169 L187 L192 M210 Q229 | I161-I165 HydrophobicContact CG2-CD1 3.92Å; I161-I165 HydrophobicContact CG2-CG1 4.48Å; I161-I165 VanDerWaalsContact O-CG1 3.28Å; I161-I165 WeakPolarHBondContact O-CG1 3.42Å; I161-I165 PolarHBondContact O-N 3.01Å; A162-I165 PolarHBondContact O-N 3.1Å; A162-I165 VanDerWaalsContact O-N 3.16Å; I165-C168 PolarHBondContact O-N 3.32Å; I165-S169 WeakPolarHBondContact O-CB 3.27Å; I165-S169 PolarHBondContact O-N 2.89Å; I165-S169 PolarHBondContact O-OG 3.46Å; I165-L187 HydrophobicContact CG1-CD1 4.3Å; I165-L187 HydrophobicContact CG1-CD2 3.8Å; I165-L187 HydrophobicContact CG1-CG 4.45Å; I165-L192 HydrophobicContact CD1-CD1 4.18Å; I165-L192 HydrophobicContact CD1-CD2 4.41Å; I165-M210 HydrophobicContact CB-CE 4.2Å; I165-M210 HydrophobicContact CB-SD 4.47Å; I165-M210 HydrophobicContact CD1-CE 4.44Å; I165-M210 HydrophobicContact CD1-SD 3.88Å; I165-M210 HydrophobicContact CG2-CE 3.48Å; I165-M210 VanDerWaalsContact CG2-CE 3.48Å; I165-M210 HydrophobicContact CG2-SD 4.3Å; I165-Q229 HydrophobicContact CG2-CB 4.45Å |
| 166 | V | 81.8 | Confident | 80.6 | Confident | 10 Ų | 10 | 26 Ų | 26 | 6% | 0.061 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -68.3 | -41.9 | -179.1 | 177.5 | 0 | 0 | 0 | 0 | 111.1 | A162 E163 C168 S169 T170 M210 Q213 W214 | A162-V166 WeakPolarHBondContact O-CG2 3.44Å; A162-V166 PolarHBondContact O-N 3.13Å; E163-V166 PolarHBondContact O-N 3.48Å; V166-C168 PolarHBondContact O-N 3.45Å; V166-S169 WeakPolarHBondContact O-CB 3.44Å; V166-S169 PolarHBondContact O-N 3.41Å; V166-S169 VanDerWaalsContact O-N 3.16Å; V166-T170 HydrophobicContact CG1-CG2 3.99Å; V166-T170 WeakPolarHBondContact O-CB 3.28Å; V166-T170 WeakPolarHBondContact O-CG2 3.47Å; V166-T170 PolarHBondContact O-N 3.14Å; V166-T170 PolarHBondContact O-OG1 2.97Å; V166-M210 HydrophobicContact CG2-CB 4.26Å; V166-M210 HydrophobicContact CG2-CG 4.31Å; V166-Q213 HydrophobicContact CB-CB 4.21Å; V166-Q213 HydrophobicContact CG1-CB 3.85Å; V166-Q213 HydrophobicContact CG2-CB 4.11Å; V166-W214 HydrophobicContact CG1-CB 4.47Å |
| 167 | L | 82.7 | Confident | 79.5 | Confident | 27 Ų | 27 | 27.3 Ų | 27.3 | 14% | 0.141 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -57.9 | -49.5 | 175.2 | 175.8 | 67.8 | 0 | 0 | 0 | 111.5 | L127 P131 L135 E163 S169 T170 N171 | L127-L167 HydrophobicContact CD2-CD2 3.88Å; P131-L167 HydrophobicContact CB-CD1 4.14Å; P131-L167 HydrophobicContact CB-CD2 3.6Å; P131-L167 HydrophobicContact CB-CG 4.43Å; L135-L167 HydrophobicContact CD1-CD2 4.02Å; L135-L167 HydrophobicContact CG-CD2 4.46Å; E163-L167 WeakPolarHBondContact O-CB 3.35Å; E163-L167 PolarHBondContact O-N 3.07Å; L167-S169 PolarHBondContact O-N 2.86Å; L167-T170 PolarHBondContact O-N 3Å; L167-N171 HydrophobicContact CD1-CB 4.16Å; L167-N171 WeakPolarHBondContact O-CB 3.2Å; L167-N171 PolarHBondContact O-N 3.45Å |
| 168 | C | 77.7 | Confident | 78.4 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -68.1 | -26.8 | 178.4 | -64.7 | 0 | 0 | 0 | 0 | 112.4 | M164 I165 V166 L175 L187 | M164-C168 WeakPolarHBondContact O-CB 3.19Å; M164-C168 PolarHBondContact O-N 3.41Å; M164-C168 PolarHBondContact O-SG 3.15Å; I165-C168 PolarHBondContact O-N 3.32Å; V166-C168 PolarHBondContact O-N 3.45Å; C168-L175 HydrophobicContact CB-CD2 4.2Å; C168-L175 VanDerWaalsContact O-CD1 3.31Å; C168-L175 WeakPolarHBondContact O-CD1 3.24Å; C168-L175 WeakPolarHBondContact O-CD2 3.3Å; C168-L175 WeakPolarHBondContact O-CG 3.48Å; C168-L187 HydrophobicContact CB-CD1 3.65Å |
| 169 | S | 75.3 | Confident | 77.3 | Confident | 3 Ų | 3 | 30.1 Ų | 30.1 | 2% | 0.021 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -70.5 | -53.7 | 173.5 | -58.5 | 0 | 0 | 0 | 0 | 109.5 | I165 V166 L167 F227 Q229 | I165-S169 WeakPolarHBondContact O-CB 3.27Å; I165-S169 PolarHBondContact O-N 2.89Å; I165-S169 PolarHBondContact O-OG 3.46Å; V166-S169 WeakPolarHBondContact O-CB 3.44Å; V166-S169 PolarHBondContact O-N 3.41Å; V166-S169 VanDerWaalsContact O-N 3.16Å; L167-S169 PolarHBondContact O-N 2.86Å; S169-F227 VanDerWaalsContact C-CD1 3.44Å; S169-F227 WeakPolarHBondContact O-CD1 3.27Å; S169-F227 WeakPolarHBondContact O-CE1 3.28Å; S169-Q229 WeakPolarHBondContact OG-CB 3.5Å |
| 170 | T | 72.6 | Confident | 76 | Confident | 22 Ų | 22 | 33.1 Ų | 33.1 | 14% | 0.135 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -87.1 | -22.1 | -164.3 | 56.3 | 0 | 0 | 0 | 0 | 115.3 | V166 L167 Y217 F227 | V166-T170 HydrophobicContact CG1-CG2 3.99Å; V166-T170 WeakPolarHBondContact O-CB 3.28Å; V166-T170 WeakPolarHBondContact O-CG2 3.47Å; V166-T170 PolarHBondContact O-N 3.14Å; V166-T170 PolarHBondContact O-OG1 2.97Å; L167-T170 PolarHBondContact O-N 3Å; T170-Y217 VanDerWaalsContact CB-CD2 3.45Å; T170-Y217 VanDerWaalsContact CB-CE2 3.46Å; T170-Y217 HydrophobicContact CG2-CD1 3.67Å; T170-Y217 HydrophobicContact CG2-CD2 3.54Å; T170-Y217 HydrophobicContact CG2-CE1 4.02Å; T170-Y217 HydrophobicContact CG2-CE2 3.9Å; T170-Y217 HydrophobicContact CG2-CG 3.41Å; T170-Y217 VanDerWaalsContact CG2-CG 3.41Å; T170-F227 HydrophobicContact CG2-CE2 4.24Å; T170-F227 HydrophobicContact CG2-CZ 4.14Å |
| 171 | N | 74.4 | Confident | 74.7 | Confident | 64 Ų | 64 | 37.6 Ų | 37.6 | 34% | 0.342 | 22% | 0.222 | S | C | . | . | trans | -110 | 93.6 | -175.5 | -166.1 | -32.1 | 0 | 0 | 0 | 112.3 | L167 G173 V174 L175 | L167-N171 HydrophobicContact CD1-CB 4.16Å; L167-N171 WeakPolarHBondContact O-CB 3.2Å; L167-N171 PolarHBondContact O-N 3.45Å; N171-G173 VanDerWaalsContact C-N 3.28Å; N171-G173 PolarHBondContact O-N 3.33Å; N171-G173 PolarHBondContact OD1-N 2.97Å; N171-G173 VanDerWaalsContact OD1-N 3.15Å; N171-V174 HydrophobicContact CB-CB 4.36Å; N171-V174 HydrophobicContact CB-CG2 4.14Å; N171-V174 PolarHBondContact O-N 2.95Å; N171-V174 PolarHBondContact OD1-N 2.82Å; N171-L175 PolarHBondContact O-N 2.97Å | ||
| 172 | Q | 68.6 | Low | 73.3 | Confident | 93 Ų | 93 | 40.2 Ų | 40.2 | 44% | 0.435 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62.7 | -32.1 | 178.6 | -68 | -166.9 | -9.9 | 0 | 0 | 113.4 | V174 L175 V176 L225 | Q172-V174 VanDerWaalsContact C-N 3.26Å; Q172-V174 PolarHBondContact O-N 3.23Å; Q172-L175 WeakPolarHBondContact O-CB 3.37Å; Q172-L175 PolarHBondContact O-N 2.61Å; Q172-V176 WeakPolarHBondContact O-CG2 2.84Å; Q172-V176 PolarHBondContact O-N 3.18Å; Q172-L225 HydrophobicContact CG-CD1 4.22Å |
| 173 | G | 72.5 | Confident | 72.2 | Confident | 47 Ų | 47 | 40.2 Ų | 40.2 | 49% | 0.485 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60.8 | -39.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112 | N171 V176 A177 | N171-G173 VanDerWaalsContact C-N 3.28Å; N171-G173 PolarHBondContact O-N 3.33Å; N171-G173 PolarHBondContact OD1-N 2.97Å; N171-G173 VanDerWaalsContact OD1-N 3.15Å; G173-V176 PolarHBondContact O-N 3.42Å; G173-A177 WeakPolarHBondContact O-CB 3.31Å; G173-A177 PolarHBondContact O-N 3.43Å |
| 174 | V | 71.3 | Confident | 71.1 | Confident | 4 Ų | 4 | 42.9 Ų | 42.9 | 2% | 0.024 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67.8 | -42 | 175.8 | 174.9 | 0 | 0 | 0 | 0 | 111.5 | P131 I132 L135 N171 Q172 V176 A177 L178 | P131-V174 HydrophobicContact CB-CG2 4.44Å; P131-V174 HydrophobicContact CG-CG2 4.41Å; I132-V174 HydrophobicContact CG1-CG2 4.25Å; L135-V174 HydrophobicContact CD1-CG1 3.33Å; N171-V174 HydrophobicContact CB-CB 4.36Å; N171-V174 HydrophobicContact CB-CG2 4.14Å; N171-V174 PolarHBondContact O-N 2.95Å; N171-V174 PolarHBondContact OD1-N 2.82Å; Q172-V174 VanDerWaalsContact C-N 3.26Å; Q172-V174 PolarHBondContact O-N 3.23Å; V174-V176 VanDerWaalsContact C-N 3.34Å; V174-V176 PolarHBondContact O-N 3.02Å; V174-A177 PolarHBondContact O-N 3.5Å; V174-L178 HydrophobicContact CG1-CD1 4.06Å; V174-L178 PolarHBondContact O-N 2.92Å; V174-L178 VanDerWaalsContact O-N 3.11Å |
| 175 | L | 66.3 | Low | 70.1 | Confident | 14 Ų | 14 | 49.3 Ų | 49.3 | 7% | 0.073 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.9 | -41.5 | 175.4 | -68 | -178.9 | 0 | 0 | 0 | 112.3 | C168 N171 Q172 A177 G179 L183 | C168-L175 HydrophobicContact CB-CD2 4.2Å; C168-L175 VanDerWaalsContact O-CD1 3.31Å; C168-L175 WeakPolarHBondContact O-CD1 3.24Å; C168-L175 WeakPolarHBondContact O-CD2 3.3Å; C168-L175 WeakPolarHBondContact O-CG 3.48Å; N171-L175 PolarHBondContact O-N 2.97Å; Q172-L175 WeakPolarHBondContact O-CB 3.37Å; Q172-L175 PolarHBondContact O-N 2.61Å; L175-A177 VanDerWaalsContact C-N 3.34Å; L175-G179 CarbonylContact O-C 3.58Å; L175-G179 WeakPolarHBondContact O-CA 3.44Å; L175-G179 PolarHBondContact O-N 3.15Å; L175-L183 HydrophobicContact CD2-CB 4.25Å; L175-L183 HydrophobicContact CD2-CD1 3.56Å |
| 176 | V | 69.4 | Low | 69.2 | Low | 125 Ų | 125 | 50.2 Ų | 50.2 | 76% | 0.758 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -64.3 | -41.8 | 177.3 | 170.9 | 0 | 0 | 0 | 0 | 110.4 | Q172 G173 V174 L178 | Q172-V176 WeakPolarHBondContact O-CG2 2.84Å; Q172-V176 PolarHBondContact O-N 3.18Å; G173-V176 PolarHBondContact O-N 3.42Å; V174-V176 VanDerWaalsContact C-N 3.34Å; V174-V176 PolarHBondContact O-N 3.02Å; V176-L178 PolarHBondContact O-N 3.24Å |
| 177 | A | 67.5 | Low | 68.7 | Low | 62 Ų | 62 | 49.8 Ų | 49.8 | 51% | 0.512 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -65.4 | -35.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | G173 V174 L175 | G173-A177 WeakPolarHBondContact O-CB 3.31Å; G173-A177 PolarHBondContact O-N 3.43Å; V174-A177 PolarHBondContact O-N 3.5Å; L175-A177 VanDerWaalsContact C-N 3.34Å |
| 178 | L | 69.3 | Low | 68.3 | Low | 29 Ų | 29 | 49.5 Ų | 49.5 | 15% | 0.152 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -105 | -9.1 | -173.7 | -68 | 166.6 | 0 | 0 | 0 | 114.8 | L135 T136 V174 V176 L183 | L135-L178 HydrophobicContact CB-CD1 3.32Å; L135-L178 HydrophobicContact CD1-CD1 3.97Å; L135-L178 HydrophobicContact CG-CD1 4.32Å; T136-L178 WeakPolarHBondContact OG1-CD2 3.22Å; V174-L178 HydrophobicContact CG1-CD1 4.06Å; V174-L178 PolarHBondContact O-N 2.92Å; V174-L178 VanDerWaalsContact O-N 3.11Å; V176-L178 PolarHBondContact O-N 3.24Å; L178-L183 HydrophobicContact CB-CD1 3.95Å; L178-L183 HydrophobicContact CB-CG 4.37Å; L178-L183 HydrophobicContact CD1-CD1 4.12Å; L178-L183 HydrophobicContact CD1-CD2 4.47Å |
| 179 | G | 61.8 | Low | 68.2 | Low | 29 Ų | 29 | 50 Ų | 50 | 30% | 0.299 | 29% | 0.294 | S | S | . | . | trans | 81.6 | 127.6 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L175 T181 C182 | L175-G179 CarbonylContact O-C 3.58Å; L175-G179 WeakPolarHBondContact O-CA 3.44Å; L175-G179 PolarHBondContact O-N 3.15Å; G179-T181 VanDerWaalsContact C-N 3.32Å; G179-T181 PolarHBondContact O-N 2.88Å; G179-C182 PolarHBondContact O-N 3.42Å | ||
| 180 | R | 61.9 | Low | 68.4 | Low | 140 Ų | 140 | 59.8 Ų | 59.8 | 53% | 0.528 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -56.2 | -41.2 | -177 | -177.1 | -179.7 | -87.3 | -170.5 | -7.5 | 113 | L183 E184 | R180-L183 PolarHBondContact O-N 3.17Å; R180-E184 WeakPolarHBondContact CG-OE1 3.35Å; R180-E184 WeakPolarHBondContact O-CG 3.48Å; R180-E184 PolarHBondContact O-N 2.98Å; R180-E184 VanDerWaalsContact O-N 3.15Å |
| 181 | T | 63.3 | Low | 68.9 | Low | 93 Ų | 93 | 64.4 Ų | 64.4 | 57% | 0.571 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -67.5 | -38.2 | -177.4 | 50.4 | 0 | 0 | 0 | 0 | 112.9 | G179 L183 E184 D185 | G179-T181 VanDerWaalsContact C-N 3.32Å; G179-T181 PolarHBondContact O-N 2.88Å; T181-L183 VanDerWaalsContact C-N 3.27Å; T181-L183 PolarHBondContact O-N 2.84Å; T181-E184 PolarHBondContact O-N 3.37Å; T181-D185 PolarHBondContact O-N 3.25Å; T181-D185 VanDerWaalsContact O-N 3.08Å |
| 182 | C | 60.9 | Low | 69.4 | Low | 56 Ų | 56 | 61.4 Ų | 61.4 | 38% | 0.378 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.3 | -36.5 | -179.3 | -68.1 | 0 | 0 | 0 | 0 | 112.1 | V139 G179 L186 | V139-C182 HydrophobicContact CG1-CB 4.43Å; V139-C182 HydrophobicContact CG2-CB 4.46Å; G179-C182 PolarHBondContact O-N 3.42Å; C182-L186 WeakPolarHBondContact O-CB 3.16Å; C182-L186 PolarHBondContact O-N 3.47Å; C182-L186 VanDerWaalsContact O-N 3.15Å |
| 183 | L | 61.7 | Low | 70.4 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -84.6 | -29.9 | -179.8 | -69.4 | 169.7 | 0 | 0 | 0 | 112.9 | L135 V139 L175 L178 R180 T181 L186 L187 | L135-L183 HydrophobicContact CB-CD2 4.47Å; L135-L183 HydrophobicContact CD1-CD1 4.5Å; L135-L183 HydrophobicContact CD1-CD2 4.26Å; L135-L183 HydrophobicContact CD2-CD2 4.43Å; V139-L183 HydrophobicContact CG2-CD2 4.34Å; L175-L183 HydrophobicContact CD2-CB 4.25Å; L175-L183 HydrophobicContact CD2-CD1 3.56Å; L178-L183 HydrophobicContact CB-CD1 3.95Å; L178-L183 HydrophobicContact CB-CG 4.37Å; L178-L183 HydrophobicContact CD1-CD1 4.12Å; L178-L183 HydrophobicContact CD1-CD2 4.47Å; R180-L183 PolarHBondContact O-N 3.17Å; T181-L183 VanDerWaalsContact C-N 3.27Å; T181-L183 PolarHBondContact O-N 2.84Å; L183-L186 HydrophobicContact CD2-CD2 3.87Å; L183-L186 PolarHBondContact O-N 2.94Å; L183-L187 WeakPolarHBondContact O-CB 3.48Å; L183-L187 WeakPolarHBondContact O-CG 3.01Å; L183-L187 PolarHBondContact O-N 2.86Å |
| 184 | E | 65.5 | Low | 71.1 | Confident | 83 Ų | 83 | 60.7 Ų | 60.7 | 39% | 0.388 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62 | -45 | 170.4 | -76.1 | 175 | -175.7 | 0 | 0 | 111.6 | R180 T181 A188 | R180-E184 WeakPolarHBondContact CG-OE1 3.35Å; R180-E184 WeakPolarHBondContact O-CG 3.48Å; R180-E184 PolarHBondContact O-N 2.98Å; R180-E184 VanDerWaalsContact O-N 3.15Å; T181-E184 PolarHBondContact O-N 3.37Å; E184-A188 PolarHBondContact O-N 2.96Å |
| 185 | D | 65.9 | Low | 71.7 | Confident | 135 Ų | 135 | 61.1 Ų | 61.1 | 72% | 0.722 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -65 | -40.1 | 175.1 | -77.9 | -16.8 | 0 | 0 | 0 | 111.9 | T181 | T181-D185 PolarHBondContact O-N 3.25Å; T181-D185 VanDerWaalsContact O-N 3.08Å |
| 186 | L | 62.7 | Low | 72.7 | Confident | 18 Ų | 18 | 60.7 Ų | 60.7 | 9% | 0.094 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.8 | -55.7 | 177.8 | -169.6 | 73.1 | 0 | 0 | 0 | 109.7 | M138 F145 M164 C182 L183 A188 | M138-L186 HydrophobicContact CB-CD1 4.34Å; M138-L186 HydrophobicContact CB-CD2 3.94Å; F145-L186 HydrophobicContact CB-CD1 3.68Å; F145-L186 HydrophobicContact CB-CG 4.29Å; F145-L186 WeakPolarHBondContact CD1-O 3.25Å; F145-L186 HydrophobicContact CD2-CG 4.42Å; F145-L186 WeakPolarHBondContact CE1-O 3.4Å; F145-L186 HydrophobicContact CG-CD1 4.12Å; F145-L186 HydrophobicContact CG-CG 4.21Å; M164-L186 HydrophobicContact CE-CD2 3.9Å; C182-L186 WeakPolarHBondContact O-CB 3.16Å; C182-L186 PolarHBondContact O-N 3.47Å; C182-L186 VanDerWaalsContact O-N 3.15Å; L183-L186 HydrophobicContact CD2-CD2 3.87Å; L183-L186 PolarHBondContact O-N 2.94Å; L186-A188 PolarHBondContact O-N 3.29Å |
| 187 | L | 70.8 | Confident | 73.4 | Confident | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -73.6 | -28.6 | -173.6 | -63.6 | 177.5 | 0 | 0 | 0 | 112.8 | F145 M164 I165 C168 L183 V189 Q229 | F145-L187 HydrophobicContact CE2-CD2 4.32Å; F145-L187 HydrophobicContact CZ-CD2 4.31Å; M164-L187 HydrophobicContact CB-CD2 4.2Å; I165-L187 HydrophobicContact CG1-CD1 4.3Å; I165-L187 HydrophobicContact CG1-CD2 3.8Å; I165-L187 HydrophobicContact CG1-CG 4.45Å; C168-L187 HydrophobicContact CB-CD1 3.65Å; L183-L187 WeakPolarHBondContact O-CB 3.48Å; L183-L187 WeakPolarHBondContact O-CG 3.01Å; L183-L187 PolarHBondContact O-N 2.86Å; L187-V189 HydrophobicContact CB-CG2 4.07Å; L187-V189 PolarHBondContact O-N 3.04Å; L187-Q229 HydrophobicContact CD1-CG 4.49Å |
| 188 | A | 74.4 | Confident | 74.2 | Confident | 21 Ų | 21 | 56.5 Ų | 56.5 | 17% | 0.174 | 29% | 0.285 | C | S | . | . | trans | 39.2 | 49.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | E184 L186 R190 K191 | E184-A188 PolarHBondContact O-N 2.96Å; L186-A188 PolarHBondContact O-N 3.29Å; A188-R190 PolarHBondContact O-N 3.38Å; A188-K191 HydrophobicContact CB-CB 4.39Å; A188-K191 HydrophobicContact CB-CD 4.25Å; A188-K191 HydrophobicContact CB-CG 4.37Å; A188-K191 WeakPolarHBondContact O-CA 3.32Å; A188-K191 WeakPolarHBondContact O-CB 3.31Å; A188-K191 PolarHBondContact O-N 3.45Å | ||
| 189 | V | 75.7 | Confident | 74.6 | Confident | 12 Ų | 12 | 60.1 Ų | 60.1 | 7% | 0.073 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -52.2 | -37.2 | -169.7 | 174 | 0 | 0 | 0 | 0 | 112 | L187 K191 L192 Q229 T232 I233 F238 | L187-V189 HydrophobicContact CB-CG2 4.07Å; L187-V189 PolarHBondContact O-N 3.04Å; V189-K191 PolarHBondContact O-N 3.39Å; V189-K191 VanDerWaalsContact O-N 3.12Å; V189-L192 HydrophobicContact CB-CD1 4.44Å; V189-L192 HydrophobicContact CG1-CD1 3.97Å; V189-L192 WeakPolarHBondContact O-CB 3.44Å; V189-L192 VanDerWaalsContact O-CG 3.27Å; V189-L192 WeakPolarHBondContact O-CG 3.37Å; V189-L192 PolarHBondContact O-N 3.48Å; V189-Q229 HydrophobicContact CG2-CB 4.12Å; V189-Q229 HydrophobicContact CG2-CG 4.02Å; V189-T232 HydrophobicContact CB-CG2 4.47Å; V189-T232 HydrophobicContact CG1-CG2 3.95Å; V189-I233 HydrophobicContact CG1-CD1 3.95Å; V189-I233 HydrophobicContact CG1-CG1 3.51Å; V189-F238 HydrophobicContact CG1-CE2 4.49Å; V189-F238 WeakPolarHBondContact O-CE2 3.12Å |
| 190 | R | 79.5 | Confident | 75.6 | Confident | 208 Ų | 208 | 63.2 Ų | 63.2 | 79% | 0.785 | 32% | 0.32 | S | S | * | . | G | 310 helix | trans | -61.1 | -20.7 | 177 | -62.7 | -178.3 | -178.1 | 179 | 0.5 | 114.4 | A188 P193 T232 | A188-R190 PolarHBondContact O-N 3.38Å; R190-P193 WeakPolarHBondContact O-CD 3.42Å; R190-T232 HydrophobicContact CG-CG2 3.8Å |
| 191 | K | 83.5 | Confident | 76.6 | Confident | 119 Ų | 119 | 56.8 Ų | 56.8 | 52% | 0.517 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -95.4 | -2.7 | 177.4 | -58.7 | -172.4 | 179.3 | -177.7 | 0 | 113.1 | A188 V189 P193 E194 | A188-K191 HydrophobicContact CB-CB 4.39Å; A188-K191 HydrophobicContact CB-CD 4.25Å; A188-K191 HydrophobicContact CB-CG 4.37Å; A188-K191 WeakPolarHBondContact O-CA 3.32Å; A188-K191 WeakPolarHBondContact O-CB 3.31Å; A188-K191 PolarHBondContact O-N 3.45Å; V189-K191 PolarHBondContact O-N 3.39Å; V189-K191 VanDerWaalsContact O-N 3.12Å; K191-P193 VanDerWaalsContact C-N 3.27Å; K191-E194 WeakPolarHBondContact O-CB 3.32Å; K191-E194 PolarHBondContact O-N 3.23Å |
| 192 | L | 85.5 | Confident | 77.6 | Confident | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -53.9 | -38.4 | 175.4 | -68.4 | 173.7 | 0 | 0 | 0 | 112.9 | I165 V189 E194 L195 F203 I233 F238 | I165-L192 HydrophobicContact CD1-CD1 4.18Å; I165-L192 HydrophobicContact CD1-CD2 4.41Å; V189-L192 HydrophobicContact CB-CD1 4.44Å; V189-L192 HydrophobicContact CG1-CD1 3.97Å; V189-L192 WeakPolarHBondContact O-CB 3.44Å; V189-L192 VanDerWaalsContact O-CG 3.27Å; V189-L192 WeakPolarHBondContact O-CG 3.37Å; V189-L192 PolarHBondContact O-N 3.48Å; L192-E194 PolarHBondContact O-N 3.38Å; L192-E194 VanDerWaalsContact O-N 3.14Å; L192-L195 HydrophobicContact CD2-CD1 3.55Å; L192-L195 VanDerWaalsContact O-CB 3.25Å; L192-L195 WeakPolarHBondContact O-CB 3.07Å; L192-L195 WeakPolarHBondContact O-CG 3.42Å; L192-L195 PolarHBondContact O-N 2.95Å; L192-F203 HydrophobicContact CB-CE2 4.07Å; L192-F203 HydrophobicContact CB-CZ 4.13Å; L192-F203 WeakPolarHBondContact O-CE2 3.48Å; L192-F203 WeakPolarHBondContact O-CZ 3.31Å; L192-I233 HydrophobicContact CD1-CD1 4.43Å; L192-F238 HydrophobicContact CB-CE2 3.96Å; L192-F238 HydrophobicContact CB-CZ 4.04Å; L192-F238 HydrophobicContact CD1-CE2 4.36Å; L192-F238 HydrophobicContact CD1-CZ 4.47Å |
| 193 | P | 89.5 | Confident | 78.9 | Confident | 6 Ų | 6 | 50.9 Ų | 50.9 | 4% | 0.039 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -56.4 | -30.3 | 175.9 | -28.8 | 38.6 | 0 | 0 | 0 | 113.8 | R190 K191 L195 L196 F238 L242 V245 | R190-P193 WeakPolarHBondContact O-CD 3.42Å; K191-P193 VanDerWaalsContact C-N 3.27Å; P193-L195 PolarHBondContact O-N 2.65Å; P193-L196 WeakPolarHBondContact O-CB 3.38Å; P193-L196 PolarHBondContact O-N 2.89Å; P193-F238 HydrophobicContact CG-CD2 4.24Å; P193-F238 HydrophobicContact CG-CE2 3.85Å; P193-F238 HydrophobicContact CG-CZ 3.98Å; P193-L242 HydrophobicContact CB-CD1 4.49Å; P193-V245 HydrophobicContact CB-CG2 4.35Å |
| 194 | E | 85.8 | Confident | 80.3 | Confident | 119 Ų | 119 | 52 Ų | 52 | 56% | 0.556 | 26% | 0.264 | S | S | * | . | G | 310 helix | trans | -67.4 | -24.4 | 178.4 | -58.4 | 175.3 | 171.1 | 0 | 0 | 112 | K191 L192 L196 S197 | K191-E194 WeakPolarHBondContact O-CB 3.32Å; K191-E194 PolarHBondContact O-N 3.23Å; L192-E194 PolarHBondContact O-N 3.38Å; L192-E194 VanDerWaalsContact O-N 3.14Å; E194-L196 PolarHBondContact O-N 2.64Å; E194-S197 WeakPolarHBondContact O-CB 3.16Å; E194-S197 PolarHBondContact O-N 2.89Å |
| 195 | L | 85.2 | Confident | 81.4 | Confident | 12 Ų | 12 | 48.8 Ų | 48.8 | 6% | 0.063 | 25% | 0.25 | C | S | . | . | G | 310 helix | trans | -66.1 | -23.8 | 178 | -57.6 | 178.8 | 0 | 0 | 0 | 112.5 | K149 I152 L192 P193 S197 I198 A201 F203 | K149-L195 HydrophobicContact CB-CD2 4.43Å; K149-L195 HydrophobicContact CD-CD2 4.48Å; K149-L195 HydrophobicContact CG-CD2 4.22Å; I152-L195 HydrophobicContact CD1-CB 4.39Å; I152-L195 HydrophobicContact CD1-CD1 3.71Å; L192-L195 HydrophobicContact CD2-CD1 3.55Å; L192-L195 VanDerWaalsContact O-CB 3.25Å; L192-L195 WeakPolarHBondContact O-CB 3.07Å; L192-L195 WeakPolarHBondContact O-CG 3.42Å; L192-L195 PolarHBondContact O-N 2.95Å; P193-L195 PolarHBondContact O-N 2.65Å; L195-S197 PolarHBondContact O-N 3.38Å; L195-I198 HydrophobicContact CB-CD1 4.4Å; L195-I198 HydrophobicContact CD2-CD1 3.64Å; L195-I198 WeakPolarHBondContact O-CB 3.19Å; L195-I198 PolarHBondContact O-N 2.99Å; L195-A201 WeakPolarHBondContact O-CB 3.39Å; L195-F203 HydrophobicContact CB-CD2 4.13Å; L195-F203 HydrophobicContact CB-CE2 4.11Å; L195-F203 HydrophobicContact CD1-CE2 4.47Å |
| 196 | L | 86 | Confident | 82.5 | Confident | 5 Ų | 5 | 42.4 Ų | 42.4 | 3% | 0.026 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -59.7 | -25.1 | 171 | -80.3 | 178.4 | 0 | 0 | 0 | 112.5 | P193 E194 I198 F203 L242 V245 M246 V264 E267 | P193-L196 WeakPolarHBondContact O-CB 3.38Å; P193-L196 PolarHBondContact O-N 2.89Å; E194-L196 PolarHBondContact O-N 2.64Å; L196-I198 PolarHBondContact O-N 3.49Å; L196-F203 HydrophobicContact CD1-CD1 4.45Å; L196-F203 HydrophobicContact CD1-CE1 4.42Å; L196-F203 HydrophobicContact CD2-CB 3.78Å; L196-F203 HydrophobicContact CD2-CD1 3.44Å; L196-F203 VanDerWaalsContact CD2-CD1 3.44Å; L196-F203 HydrophobicContact CD2-CE1 4.18Å; L196-F203 HydrophobicContact CD2-CG 3.72Å; L196-F203 HydrophobicContact CG-CD1 3.74Å; L196-F203 HydrophobicContact CG-CE1 3.98Å; L196-F203 HydrophobicContact CG-CG 4.09Å; L196-F203 HydrophobicContact CG-CZ 4.49Å; L196-L242 HydrophobicContact CD1-CD1 3.39Å; L196-L242 HydrophobicContact CD1-CG 4.16Å; L196-L242 HydrophobicContact CG-CD1 4.23Å; L196-V245 HydrophobicContact CB-CG1 3.78Å; L196-V245 HydrophobicContact CD1-CB 4.37Å; L196-V245 HydrophobicContact CD1-CG1 4.25Å; L196-M246 HydrophobicContact CD1-CG 4.18Å; L196-V264 HydrophobicContact CB-CG1 4.21Å; L196-V264 WeakPolarHBondContact O-CG2 3.36Å; L196-E267 HydrophobicContact CD2-CB 3.59Å |
| 197 | S | 84.9 | Confident | 83.9 | Confident | 53 Ų | 53 | 41.5 Ų | 41.5 | 37% | 0.371 | 21% | 0.211 | S | C | . | . | G | 310 helix | trans | -77.7 | -9.6 | 177.3 | -56.4 | 0 | 0 | 0 | 0 | 112.8 | E194 L195 R248 | E194-S197 WeakPolarHBondContact O-CB 3.16Å; E194-S197 PolarHBondContact O-N 2.89Å; L195-S197 PolarHBondContact O-N 3.38Å; S197-R248 PolarHBondContact OG-NH1 3.02Å |
| 198 | I | 84 | Confident | 84.8 | Confident | 47 Ų | 47 | 42 Ų | 42 | 24% | 0.241 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -77.8 | 125.4 | 176.1 | -59.8 | 173 | 0 | 0 | 0 | 108.1 | I152 L195 L196 D200 A201 | I152-I198 HydrophobicContact CG2-CB 4.42Å; I152-I198 HydrophobicContact CG2-CD1 3.99Å; I152-I198 HydrophobicContact CG2-CG2 4.15Å; L195-I198 HydrophobicContact CB-CD1 4.4Å; L195-I198 HydrophobicContact CD2-CD1 3.64Å; L195-I198 WeakPolarHBondContact O-CB 3.19Å; L195-I198 PolarHBondContact O-N 2.99Å; L196-I198 PolarHBondContact O-N 3.49Å; I198-D200 PolarHBondContact O-N 2.98Å; I198-A201 HydrophobicContact CB-CB 4.13Å; I198-A201 VanDerWaalsContact O-CB 3.24Å; I198-A201 WeakPolarHBondContact O-CB 2.74Å; I198-A201 PolarHBondContact O-N 3.5Å |
| 199 | P | 79.2 | Confident | 85.6 | Confident | 105 Ų | 105 | 42.8 Ų | 42.8 | 68% | 0.682 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | 137.1 | 177.6 | -25.8 | 34.6 | 0 | 0 | 0 | 112.2 | A201 | P199-A201 PolarHBondContact O-N 2.8Å; P199-A201 VanDerWaalsContact O-N 3.09Å |
| 200 | D | 81.9 | Confident | 86.2 | Confident | 93 Ų | 93 | 42.4 Ų | 42.4 | 50% | 0.497 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.1 | 15.7 | 178.6 | -55 | -28.3 | 0 | 0 | 0 | 115.3 | S153 I198 Q202 Q583 | S153-D200 WeakPolarHBondContact CA-O 3.15Å; I198-D200 PolarHBondContact O-N 2.98Å; D200-Q202 PolarHBondContact O-N 3.49Å; D200-Q202 PolarHBondContact O-NE2 3.16Å; D200-Q583 PolarHBondContact OD1-NE2 3.37Å; D200-Q583 PolarHBondContact OD2-NE2 2.86Å |
| 201 | A | 82.8 | Confident | 86.6 | Confident | 6 Ų | 6 | 33.5 Ų | 33.5 | 5% | 0.05 | 18% | 0.178 | C | C | . | . | trans | -55.7 | 129.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | I152 L195 I198 P199 F203 | I152-A201 HydrophobicContact CG2-CB 3.84Å; L195-A201 WeakPolarHBondContact O-CB 3.39Å; I198-A201 HydrophobicContact CB-CB 4.13Å; I198-A201 VanDerWaalsContact O-CB 3.24Å; I198-A201 WeakPolarHBondContact O-CB 2.74Å; I198-A201 PolarHBondContact O-N 3.5Å; P199-A201 PolarHBondContact O-N 2.8Å; P199-A201 VanDerWaalsContact O-N 3.09Å; A201-F203 PolarHBondContact O-N 3.16Å | ||
| 202 | Q | 85.4 | Confident | 86.8 | Confident | 24 Ų | 24 | 29.5 Ų | 29.5 | 11% | 0.112 | 16% | 0.162 | C | C | . | . | trans | -85.2 | 55.9 | 179.7 | -60.7 | -66.5 | -58.9 | 0 | 0 | 110.4 | I152 S153 P155 A158 D200 V205 L206 | I152-Q202 PolarHBondContact O-N 2.83Å; S153-Q202 VanDerWaalsContact O-CG 3.31Å; S153-Q202 WeakPolarHBondContact O-CG 3.33Å; P155-Q202 HydrophobicContact CG-CG 3.98Å; A158-Q202 HydrophobicContact CB-CB 3.94Å; D200-Q202 PolarHBondContact O-N 3.49Å; D200-Q202 PolarHBondContact O-NE2 3.16Å; Q202-V205 HydrophobicContact CB-CB 4.08Å; Q202-V205 HydrophobicContact CB-CG2 4.14Å; Q202-V205 PolarHBondContact O-N 3.13Å; Q202-L206 PolarHBondContact O-N 2.91Å | ||
| 203 | F | 87.5 | Confident | 86.6 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -70.7 | -37 | -170.6 | -162.2 | -109.5 | 0 | 0 | 0 | 112.1 | L192 L195 L196 A201 V205 L206 F207 L242 E267 A271 | L192-F203 HydrophobicContact CB-CE2 4.07Å; L192-F203 HydrophobicContact CB-CZ 4.13Å; L192-F203 WeakPolarHBondContact O-CE2 3.48Å; L192-F203 WeakPolarHBondContact O-CZ 3.31Å; L195-F203 HydrophobicContact CB-CD2 4.13Å; L195-F203 HydrophobicContact CB-CE2 4.11Å; L195-F203 HydrophobicContact CD1-CE2 4.47Å; L196-F203 HydrophobicContact CD1-CD1 4.45Å; L196-F203 HydrophobicContact CD1-CE1 4.42Å; L196-F203 HydrophobicContact CD2-CB 3.78Å; L196-F203 HydrophobicContact CD2-CD1 3.44Å; L196-F203 VanDerWaalsContact CD2-CD1 3.44Å; L196-F203 HydrophobicContact CD2-CE1 4.18Å; L196-F203 HydrophobicContact CD2-CG 3.72Å; L196-F203 HydrophobicContact CG-CD1 3.74Å; L196-F203 HydrophobicContact CG-CE1 3.98Å; L196-F203 HydrophobicContact CG-CG 4.09Å; L196-F203 HydrophobicContact CG-CZ 4.49Å; A201-F203 PolarHBondContact O-N 3.16Å; F203-V205 VanDerWaalsContact C-N 3.31Å; F203-V205 PolarHBondContact O-N 2.97Å; F203-L206 HydrophobicContact CE2-CD2 4.42Å; F203-L206 WeakPolarHBondContact O-CB 3.38Å; F203-L206 PolarHBondContact O-N 3.49Å; F203-F207 HydrophobicContact CD1-CD2 4.12Å; F203-F207 HydrophobicContact CD1-CE2 4.13Å; F203-F207 HydrophobicContact CD2-CE2 4.5Å; F203-F207 AromaticContact CE1-CD2 3.83Å; F203-F207 HydrophobicContact CE1-CD2 3.83Å; F203-F207 AromaticContact CE1-CE2 3.4Å; F203-F207 HydrophobicContact CE1-CE2 3.4Å; F203-F207 VanDerWaalsContact CE1-CE2 3.4Å; F203-F207 HydrophobicContact CE1-CZ 4.26Å; F203-F207 HydrophobicContact CE2-CD2 4.48Å; F203-F207 AromaticContact CE2-CE2 3.86Å; F203-F207 HydrophobicContact CE2-CE2 3.86Å; F203-F207 HydrophobicContact CZ-CD2 4.07Å; F203-F207 AromaticContact CZ-CE2 3.29Å; F203-F207 HydrophobicContact CZ-CE2 3.29Å; F203-F207 HydrophobicContact CZ-CZ 4.12Å; F203-F207 WeakPolarHBondContact O-CD2 3.37Å; F203-F207 PolarHBondContact O-N 3.45Å; F203-F207 VanDerWaalsContact O-N 3.14Å; F203-L242 HydrophobicContact CD1-CD1 4.4Å; F203-L242 HydrophobicContact CE1-CD1 3.48Å; F203-L242 VanDerWaalsContact CE1-CD1 3.48Å; F203-L242 HydrophobicContact CZ-CD1 4.09Å; F203-E267 HydrophobicContact CB-CB 4.42Å; F203-E267 PolarHBondContact N-OE2 3.08Å; F203-A271 HydrophobicContact CD1-CB 3.59Å; F203-A271 HydrophobicContact CE1-CB 3.6Å |
| 204 | T | 90.4 | Very high | 86.3 | Confident | 25 Ų | 25 | 31.6 Ų | 31.6 | 15% | 0.153 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.1 | -43.2 | 171.5 | -56.6 | 0 | 0 | 0 | 0 | 111.3 | F207 E208 E267 | T204-F207 PolarHBondContact O-N 3.44Å; T204-E208 WeakPolarHBondContact O-CB 3.38Å; T204-E208 PolarHBondContact O-N 3.49Å; T204-E267 VanDerWaalsContact CB-OE2 3.24Å; T204-E267 WeakPolarHBondContact CB-OE2 3.43Å; T204-E267 PolarHBondContact N-OE2 3.3Å; T204-E267 PolarHBondContact OG1-O 2.99Å; T204-E267 PolarHBondContact OG1-OE2 3.08Å |
| 205 | V | 88.6 | Confident | 86.2 | Confident | 15 Ų | 15 | 29.8 Ų | 29.8 | 9% | 0.091 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65.5 | -39.9 | 178.4 | 179.3 | 0 | 0 | 0 | 0 | 110.7 | P155 A158 Q202 F203 F207 E208 Q209 | P155-V205 HydrophobicContact CB-CG1 4.5Å; A158-V205 HydrophobicContact CB-CG1 4.48Å; Q202-V205 HydrophobicContact CB-CB 4.08Å; Q202-V205 HydrophobicContact CB-CG2 4.14Å; Q202-V205 PolarHBondContact O-N 3.13Å; F203-V205 VanDerWaalsContact C-N 3.31Å; F203-V205 PolarHBondContact O-N 2.97Å; V205-F207 VanDerWaalsContact C-N 3.34Å; V205-F207 PolarHBondContact O-N 2.85Å; V205-E208 PolarHBondContact O-N 3.19Å; V205-Q209 HydrophobicContact CG1-CG 4.18Å; V205-Q209 WeakPolarHBondContact O-CB 3.43Å; V205-Q209 VanDerWaalsContact O-CG 3.28Å; V205-Q209 WeakPolarHBondContact O-CG 3.39Å; V205-Q209 PolarHBondContact O-N 3.44Å |
| 206 | L | 89.2 | Confident | 86 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -55.7 | -50 | 174.6 | 179.2 | 132.1 | 0 | 0 | 0 | 110.8 | I152 A158 I161 A162 Q202 F203 Q209 M210 | I152-L206 HydrophobicContact CD1-CD1 4.02Å; A158-L206 HydrophobicContact CB-CB 4.17Å; I161-L206 HydrophobicContact CB-CD1 3.89Å; I161-L206 HydrophobicContact CG2-CD1 3.6Å; A162-L206 WeakPolarHBondContact CB-O 3.38Å; Q202-L206 PolarHBondContact O-N 2.91Å; F203-L206 HydrophobicContact CE2-CD2 4.42Å; F203-L206 WeakPolarHBondContact O-CB 3.38Å; F203-L206 PolarHBondContact O-N 3.49Å; L206-Q209 PolarHBondContact O-N 3.46Å; L206-M210 HydrophobicContact CD2-SD 3.88Å; L206-M210 HydrophobicContact CG-SD 4.46Å; L206-M210 VanDerWaalsContact O-CG 3.25Å; L206-M210 WeakPolarHBondContact O-CG 3.37Å; L206-M210 PolarHBondContact O-N 2.99Å |
| 207 | F | 91.3 | Very high | 85.7 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -69.1 | -35.9 | 179.4 | -86.5 | -97.3 | 0 | 0 | 0 | 113.8 | F203 T204 V205 M210 Y211 I233 F238 A271 W274 I275 M278 | F203-F207 HydrophobicContact CD1-CD2 4.12Å; F203-F207 HydrophobicContact CD1-CE2 4.13Å; F203-F207 HydrophobicContact CD2-CE2 4.5Å; F203-F207 AromaticContact CE1-CD2 3.83Å; F203-F207 HydrophobicContact CE1-CD2 3.83Å; F203-F207 AromaticContact CE1-CE2 3.4Å; F203-F207 HydrophobicContact CE1-CE2 3.4Å; F203-F207 VanDerWaalsContact CE1-CE2 3.4Å; F203-F207 HydrophobicContact CE1-CZ 4.26Å; F203-F207 HydrophobicContact CE2-CD2 4.48Å; F203-F207 AromaticContact CE2-CE2 3.86Å; F203-F207 HydrophobicContact CE2-CE2 3.86Å; F203-F207 HydrophobicContact CZ-CD2 4.07Å; F203-F207 AromaticContact CZ-CE2 3.29Å; F203-F207 HydrophobicContact CZ-CE2 3.29Å; F203-F207 HydrophobicContact CZ-CZ 4.12Å; F203-F207 WeakPolarHBondContact O-CD2 3.37Å; F203-F207 PolarHBondContact O-N 3.45Å; F203-F207 VanDerWaalsContact O-N 3.14Å; T204-F207 PolarHBondContact O-N 3.44Å; V205-F207 VanDerWaalsContact C-N 3.34Å; V205-F207 PolarHBondContact O-N 2.85Å; F207-M210 PolarHBondContact O-N 3.29Å; F207-Y211 WeakPolarHBondContact O-CB 3.43Å; F207-Y211 PolarHBondContact O-N 2.68Å; F207-I233 HydrophobicContact CE1-CG2 3.61Å; F207-I233 HydrophobicContact CZ-CG2 4.3Å; F207-F238 HydrophobicContact CE1-CE1 4.24Å; F207-F238 HydrophobicContact CE1-CZ 4.49Å; F207-F238 AromaticContact CZ-CE1 3.77Å; F207-F238 HydrophobicContact CZ-CE1 3.77Å; F207-F238 AromaticContact CZ-CZ 3.65Å; F207-F238 HydrophobicContact CZ-CZ 3.65Å; F207-A271 HydrophobicContact CD2-CB 3.91Å; F207-A271 HydrophobicContact CE2-CB 4.34Å; F207-A271 HydrophobicContact CG-CB 4.04Å; F207-W274 HydrophobicContact CB-CB 3.75Å; F207-W274 HydrophobicContact CB-CG 4.24Å; F207-I275 HydrophobicContact CD1-CD1 4.14Å; F207-I275 HydrophobicContact CD1-CG1 3.65Å; F207-I275 HydrophobicContact CE1-CD1 3.63Å; F207-I275 HydrophobicContact CE1-CG1 3.52Å; F207-I275 HydrophobicContact CZ-CD1 4.38Å; F207-M278 HydrophobicContact CD1-CE 4.5Å; F207-M278 WeakPolarHBondContact O-CE 3.28Å |
| 208 | E | 91.7 | Very high | 85.4 | Confident | 11 Ų | 11 | 31.6 Ų | 31.6 | 5% | 0.051 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -57.3 | -52.1 | 171.3 | 176.9 | 174.7 | -164 | 0 | 0 | 111.2 | T204 V205 M210 Y211 L212 W274 | T204-E208 WeakPolarHBondContact O-CB 3.38Å; T204-E208 PolarHBondContact O-N 3.49Å; V205-E208 PolarHBondContact O-N 3.19Å; E208-M210 VanDerWaalsContact C-N 3.33Å; E208-M210 PolarHBondContact O-N 2.95Å; E208-Y211 WeakPolarHBondContact O-CB 3.46Å; E208-Y211 PolarHBondContact O-N 2.94Å; E208-Y211 VanDerWaalsContact O-N 3.16Å; E208-L212 HydrophobicContact CG-CD1 3.99Å; E208-L212 HydrophobicContact CG-CG 4.44Å; E208-L212 WeakPolarHBondContact O-CG 3.48Å; E208-L212 PolarHBondContact O-N 3.47Å; E208-W274 HydrophobicContact CB-CD2 3.95Å; E208-W274 VanDerWaalsContact CB-CE2 3.45Å; E208-W274 HydrophobicContact CB-CG 4.36Å; E208-W274 HydrophobicContact CB-CH2 4.27Å; E208-W274 HydrophobicContact CB-CZ2 3.65Å; E208-W274 HydrophobicContact CG-CD2 4.4Å; E208-W274 HydrophobicContact CG-CH2 3.67Å; E208-W274 HydrophobicContact CG-CZ2 3.38Å; E208-W274 HydrophobicContact CG-CZ3 4.28Å |
| 209 | Q | 89.5 | Confident | 85 | Confident | 37 Ų | 37 | 35.7 Ų | 35.7 | 17% | 0.173 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65 | -39.8 | -177.9 | -67.1 | -57.2 | -62.5 | 0 | 0 | 111.2 | K159 A162 V205 L206 Y211 L212 Q213 | K159-Q209 HydrophobicContact CB-CG 4.12Å; K159-Q209 HydrophobicContact CG-CG 4.16Å; A162-Q209 HydrophobicContact CB-CB 3.6Å; V205-Q209 HydrophobicContact CG1-CG 4.18Å; V205-Q209 WeakPolarHBondContact O-CB 3.43Å; V205-Q209 VanDerWaalsContact O-CG 3.28Å; V205-Q209 WeakPolarHBondContact O-CG 3.39Å; V205-Q209 PolarHBondContact O-N 3.44Å; L206-Q209 PolarHBondContact O-N 3.46Å; Q209-Y211 VanDerWaalsContact C-N 3.32Å; Q209-Y211 PolarHBondContact O-N 3.15Å; Q209-L212 PolarHBondContact O-N 3.33Å; Q209-Q213 WeakPolarHBondContact O-CB 3.49Å; Q209-Q213 WeakPolarHBondContact O-CG 3.18Å; Q209-Q213 PolarHBondContact O-N 3.27Å |
| 210 | M | 88.2 | Confident | 84.9 | Confident | 5 Ų | 5 | 37.5 Ų | 37.5 | 3% | 0.025 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.6 | -45 | 172.8 | -73.6 | -174.3 | 63.5 | 0 | 0 | 111.6 | A162 I165 V166 L206 F207 E208 W214 I233 M278 | A162-M210 HydrophobicContact CB-CB 4.47Å; A162-M210 HydrophobicContact CB-CG 3.55Å; I165-M210 HydrophobicContact CB-CE 4.2Å; I165-M210 HydrophobicContact CB-SD 4.47Å; I165-M210 HydrophobicContact CD1-CE 4.44Å; I165-M210 HydrophobicContact CD1-SD 3.88Å; I165-M210 HydrophobicContact CG2-CE 3.48Å; I165-M210 VanDerWaalsContact CG2-CE 3.48Å; I165-M210 HydrophobicContact CG2-SD 4.3Å; V166-M210 HydrophobicContact CG2-CB 4.26Å; V166-M210 HydrophobicContact CG2-CG 4.31Å; L206-M210 HydrophobicContact CD2-SD 3.88Å; L206-M210 HydrophobicContact CG-SD 4.46Å; L206-M210 VanDerWaalsContact O-CG 3.25Å; L206-M210 WeakPolarHBondContact O-CG 3.37Å; L206-M210 PolarHBondContact O-N 2.99Å; F207-M210 PolarHBondContact O-N 3.29Å; E208-M210 VanDerWaalsContact C-N 3.33Å; E208-M210 PolarHBondContact O-N 2.95Å; M210-W214 WeakPolarHBondContact O-CB 3.14Å; M210-W214 PolarHBondContact O-N 3.1Å; M210-I233 HydrophobicContact CE-CD1 3.17Å; M210-I233 HydrophobicContact SD-CD1 4.12Å; M210-M278 HydrophobicContact CB-CE 3.4Å; M210-M278 VanDerWaalsContact CB-CE 3.4Å |
| 211 | Y | 89.3 | Confident | 84.5 | Confident | 21 Ų | 21 | 35.8 Ų | 35.8 | 8% | 0.082 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.8 | -48.7 | 178.3 | 164.6 | -100.5 | 0 | 0 | 0 | 111.3 | F207 E208 Q209 W214 R215 W274 K277 M278 A281 | F207-Y211 WeakPolarHBondContact O-CB 3.43Å; F207-Y211 PolarHBondContact O-N 2.68Å; E208-Y211 WeakPolarHBondContact O-CB 3.46Å; E208-Y211 PolarHBondContact O-N 2.94Å; E208-Y211 VanDerWaalsContact O-N 3.16Å; Q209-Y211 VanDerWaalsContact C-N 3.32Å; Q209-Y211 PolarHBondContact O-N 3.15Å; Y211-W214 PolarHBondContact O-N 3.18Å; Y211-R215 HydrophobicContact CE2-CB 4.41Å; Y211-R215 WeakPolarHBondContact O-CB 3.18Å; Y211-R215 PolarHBondContact O-N 3.15Å; Y211-W274 AromaticContact CD1-CE3 3.65Å; Y211-W274 HydrophobicContact CD1-CE3 3.65Å; Y211-W274 AromaticContact CD1-CZ3 3.44Å; Y211-W274 HydrophobicContact CD1-CZ3 3.44Å; Y211-W274 VanDerWaalsContact CD1-CZ3 3.44Å; Y211-W274 HydrophobicContact CE1-CE3 4.36Å; Y211-W274 AromaticContact CE1-CZ3 3.88Å; Y211-W274 HydrophobicContact CE1-CZ3 3.88Å; Y211-W274 AromaticContact CG-CE3 3.92Å; Y211-W274 HydrophobicContact CG-CE3 3.92Å; Y211-W274 HydrophobicContact CG-CZ3 4.2Å; Y211-K277 HydrophobicContact CD2-CB 4.01Å; Y211-K277 HydrophobicContact CE2-CB 3.8Å; Y211-K277 WeakPolarHBondContact CE2-O 3.4Å; Y211-M278 HydrophobicContact CD2-CB 4.44Å; Y211-M278 HydrophobicContact CD2-CG 3.79Å; Y211-M278 HydrophobicContact CG-CG 4.35Å; Y211-A281 HydrophobicContact CE2-CB 3.92Å |
| 212 | L | 86.7 | Confident | 83.6 | Confident | 35 Ų | 35 | 42.9 Ų | 42.9 | 18% | 0.183 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.7 | -51.2 | -177.5 | -70.8 | 173.1 | 0 | 0 | 0 | 111.3 | E208 Q209 W214 R215 D216 | E208-L212 HydrophobicContact CG-CD1 3.99Å; E208-L212 HydrophobicContact CG-CG 4.44Å; E208-L212 WeakPolarHBondContact O-CG 3.48Å; E208-L212 PolarHBondContact O-N 3.47Å; Q209-L212 PolarHBondContact O-N 3.33Å; L212-W214 PolarHBondContact O-N 3.08Å; L212-R215 PolarHBondContact O-N 3.35Å; L212-D216 WeakPolarHBondContact O-CB 3.43Å; L212-D216 PolarHBondContact O-N 2.89Å |
| 213 | Q | 82 | Confident | 82.5 | Confident | 43 Ų | 43 | 48.3 Ų | 48.3 | 20% | 0.201 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.6 | -39.2 | -179 | -68 | 174.8 | -20.5 | 0 | 0 | 112.4 | E163 V166 Q209 D216 Y217 | E163-Q213 PolarHBondContact OE1-NE2 3.39Å; E163-Q213 VanDerWaalsContact OE1-NE2 3.15Å; V166-Q213 HydrophobicContact CB-CB 4.21Å; V166-Q213 HydrophobicContact CG1-CB 3.85Å; V166-Q213 HydrophobicContact CG2-CB 4.11Å; Q209-Q213 WeakPolarHBondContact O-CB 3.49Å; Q209-Q213 WeakPolarHBondContact O-CG 3.18Å; Q209-Q213 PolarHBondContact O-N 3.27Å; Q213-D216 PolarHBondContact O-N 3.23Å; Q213-Y217 PolarHBondContact O-N 3.41Å |
| 214 | W | 82.6 | Confident | 81.3 | Confident | 8 Ų | 8 | 50.8 Ų | 50.8 | 3% | 0.03 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -70.7 | -38.1 | 178.3 | -178.3 | 66.6 | 0 | 0 | 0 | 112.3 | V166 M210 Y211 L212 D216 Y217 L218 F227 V230 M278 L282 | V166-W214 HydrophobicContact CG1-CB 4.47Å; M210-W214 WeakPolarHBondContact O-CB 3.14Å; M210-W214 PolarHBondContact O-N 3.1Å; Y211-W214 PolarHBondContact O-N 3.18Å; L212-W214 PolarHBondContact O-N 3.08Å; W214-D216 VanDerWaalsContact C-N 3.35Å; W214-Y217 WeakPolarHBondContact O-CB 3.46Å; W214-Y217 PolarHBondContact O-N 2.9Å; W214-L218 HydrophobicContact CD2-CD1 4.03Å; W214-L218 HydrophobicContact CD2-CG 4.34Å; W214-L218 HydrophobicContact CE3-CD1 3.93Å; W214-L218 HydrophobicContact CH2-CD1 3.85Å; W214-L218 HydrophobicContact CZ2-CD1 3.85Å; W214-L218 HydrophobicContact CZ2-CD2 4.34Å; W214-L218 HydrophobicContact CZ2-CG 4.38Å; W214-L218 HydrophobicContact CZ3-CD1 3.83Å; W214-L218 WeakPolarHBondContact O-CG 3.28Å; W214-L218 PolarHBondContact O-N 2.95Å; W214-F227 AromaticContact NE1-CD2 3.89Å; W214-V230 HydrophobicContact CH2-CG1 4.21Å; W214-V230 HydrophobicContact CZ2-CG1 3.77Å; W214-M278 HydrophobicContact CE3-CB 4.33Å; W214-M278 HydrophobicContact CE3-CG 4.28Å; W214-M278 HydrophobicContact CZ3-CB 3.85Å; W214-M278 HydrophobicContact CZ3-CG 4.3Å; W214-M278 VanDerWaalsContact CZ3-O 3.27Å; W214-M278 WeakPolarHBondContact CZ3-O 3.46Å; W214-L282 HydrophobicContact CH2-CB 3.71Å; W214-L282 HydrophobicContact CH2-CD1 3.82Å; W214-L282 HydrophobicContact CH2-CD2 4.1Å; W214-L282 HydrophobicContact CH2-CG 4.06Å; W214-L282 HydrophobicContact CZ2-CD1 3.83Å; W214-L282 HydrophobicContact CZ2-CD2 4.44Å; W214-L282 HydrophobicContact CZ2-CG 4.49Å; W214-L282 HydrophobicContact CZ3-CB 4.45Å |
| 215 | R | 83.3 | Confident | 79.8 | Confident | 80 Ų | 80 | 52.1 Ų | 52.1 | 30% | 0.302 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.3 | -45 | 172.3 | -176.4 | -163.7 | 68.3 | -175.9 | -1.2 | 110.9 | Y211 L212 Y217 L218 L219 | Y211-R215 HydrophobicContact CE2-CB 4.41Å; Y211-R215 WeakPolarHBondContact O-CB 3.18Å; Y211-R215 PolarHBondContact O-N 3.15Å; L212-R215 PolarHBondContact O-N 3.35Å; R215-Y217 VanDerWaalsContact C-N 3.27Å; R215-Y217 PolarHBondContact O-N 3.41Å; R215-L218 PolarHBondContact O-N 3.26Å; R215-L219 HydrophobicContact CG-CD1 4.38Å; R215-L219 WeakPolarHBondContact O-CG 3.43Å; R215-L219 PolarHBondContact O-N 2.89Å |
| 216 | D | 81.4 | Confident | 78.6 | Confident | 70 Ų | 70 | 58.1 Ų | 58.1 | 37% | 0.374 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.3 | -37.9 | 177 | -64.7 | -8.4 | 0 | 0 | 0 | 110.6 | L212 Q213 W214 L219 L220 | L212-D216 WeakPolarHBondContact O-CB 3.43Å; L212-D216 PolarHBondContact O-N 2.89Å; Q213-D216 PolarHBondContact O-N 3.23Å; W214-D216 VanDerWaalsContact C-N 3.35Å; D216-L219 PolarHBondContact O-N 3.31Å; D216-L220 WeakPolarHBondContact O-CB 3.21Å; D216-L220 VanDerWaalsContact O-CG 3.25Å; D216-L220 WeakPolarHBondContact O-CG 3.46Å; D216-L220 PolarHBondContact O-N 2.92Å; D216-L220 VanDerWaalsContact O-N 3.12Å |
| 217 | Y | 79.8 | Confident | 77.5 | Confident | 34 Ų | 34 | 58.5 Ų | 58.5 | 13% | 0.133 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.8 | -48 | 170.9 | 177.7 | -90.3 | 0 | 0 | 0 | 112.6 | T170 Q213 W214 R215 L219 L220 N221 F227 | T170-Y217 VanDerWaalsContact CB-CD2 3.45Å; T170-Y217 VanDerWaalsContact CB-CE2 3.46Å; T170-Y217 HydrophobicContact CG2-CD1 3.67Å; T170-Y217 HydrophobicContact CG2-CD2 3.54Å; T170-Y217 HydrophobicContact CG2-CE1 4.02Å; T170-Y217 HydrophobicContact CG2-CE2 3.9Å; T170-Y217 HydrophobicContact CG2-CG 3.41Å; T170-Y217 VanDerWaalsContact CG2-CG 3.41Å; Q213-Y217 PolarHBondContact O-N 3.41Å; W214-Y217 WeakPolarHBondContact O-CB 3.46Å; W214-Y217 PolarHBondContact O-N 2.9Å; R215-Y217 VanDerWaalsContact C-N 3.27Å; R215-Y217 PolarHBondContact O-N 3.41Å; Y217-L219 VanDerWaalsContact C-N 3.3Å; Y217-L219 PolarHBondContact O-N 2.62Å; Y217-L220 PolarHBondContact O-N 3.39Å; Y217-N221 WeakPolarHBondContact CD2-ND2 3.29Å; Y217-N221 HydrophobicContact CE1-CB 4.05Å; Y217-N221 HydrophobicContact CE2-CB 4.29Å; Y217-N221 VanDerWaalsContact CE2-CG 3.48Å; Y217-N221 WeakPolarHBondContact CE2-ND2 3.25Å; Y217-N221 WeakPolarHBondContact O-CB 3.39Å; Y217-N221 PolarHBondContact O-N 3.08Å; Y217-N221 PolarHBondContact O-ND2 3.45Å; Y217-F227 HydrophobicContact CD1-CE2 4.12Å; Y217-F227 HydrophobicContact CD1-CZ 4.26Å; Y217-F227 AromaticContact CE1-CE2 3.6Å; Y217-F227 HydrophobicContact CE1-CE2 3.6Å; Y217-F227 AromaticContact CE1-CZ 3.39Å; Y217-F227 HydrophobicContact CE1-CZ 3.39Å; Y217-F227 AromaticContact CZ-CZ 3.68Å |
| 218 | L | 78.4 | Confident | 76.5 | Confident | 5 Ų | 5 | 60.8 Ų | 60.8 | 3% | 0.026 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.1 | -42.3 | 177.7 | -69.2 | 175.9 | 0 | 0 | 0 | 111.3 | W214 R215 L220 N221 L224 F285 | W214-L218 HydrophobicContact CD2-CD1 4.03Å; W214-L218 HydrophobicContact CD2-CG 4.34Å; W214-L218 HydrophobicContact CE3-CD1 3.93Å; W214-L218 HydrophobicContact CH2-CD1 3.85Å; W214-L218 HydrophobicContact CZ2-CD1 3.85Å; W214-L218 HydrophobicContact CZ2-CD2 4.34Å; W214-L218 HydrophobicContact CZ2-CG 4.38Å; W214-L218 HydrophobicContact CZ3-CD1 3.83Å; W214-L218 WeakPolarHBondContact O-CG 3.28Å; W214-L218 PolarHBondContact O-N 2.95Å; R215-L218 PolarHBondContact O-N 3.26Å; L218-L220 VanDerWaalsContact C-N 3.28Å; L218-L220 PolarHBondContact O-N 3.1Å; L218-N221 PolarHBondContact O-N 3.49Å; L218-L224 HydrophobicContact CD2-CD2 4.37Å; L218-L224 HydrophobicContact CD2-CG 4.36Å; L218-F285 HydrophobicContact CB-CD2 4.17Å; L218-F285 HydrophobicContact CB-CE2 4.22Å; L218-F285 HydrophobicContact CB-CG 4.3Å; L218-F285 HydrophobicContact CB-CZ 4.33Å; L218-F285 HydrophobicContact CD2-CD1 3.9Å; L218-F285 HydrophobicContact CD2-CE1 3.83Å; L218-F285 HydrophobicContact CD2-CG 4.43Å; L218-F285 HydrophobicContact CD2-CZ 4.33Å; L218-F285 WeakPolarHBondContact O-CE2 3.33Å; L218-F285 VanDerWaalsContact O-CZ 3.22Å; L218-F285 WeakPolarHBondContact O-CZ 3.48Å |
| 219 | L | 76.3 | Confident | 75.5 | Confident | 132 Ų | 132 | 60.7 Ų | 60.7 | 69% | 0.691 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -63.6 | -32.3 | 178 | -72.6 | 171 | 0 | 0 | 0 | 113.2 | R215 D216 Y217 | R215-L219 HydrophobicContact CG-CD1 4.38Å; R215-L219 WeakPolarHBondContact O-CG 3.43Å; R215-L219 PolarHBondContact O-N 2.89Å; D216-L219 PolarHBondContact O-N 3.31Å; Y217-L219 VanDerWaalsContact C-N 3.3Å; Y217-L219 PolarHBondContact O-N 2.62Å |
| 220 | L | 77.5 | Confident | 74.8 | Confident | 144 Ų | 144 | 59.7 Ų | 59.7 | 75% | 0.754 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -90.9 | -16.2 | -176.4 | -67.9 | 171.7 | 0 | 0 | 0 | 114 | D216 Y217 L218 | D216-L220 WeakPolarHBondContact O-CB 3.21Å; D216-L220 VanDerWaalsContact O-CG 3.25Å; D216-L220 WeakPolarHBondContact O-CG 3.46Å; D216-L220 PolarHBondContact O-N 2.92Å; D216-L220 VanDerWaalsContact O-N 3.12Å; Y217-L220 PolarHBondContact O-N 3.39Å; L218-L220 VanDerWaalsContact C-N 3.28Å; L218-L220 PolarHBondContact O-N 3.1Å |
| 221 | N | 71.8 | Confident | 74.3 | Confident | 57 Ų | 57 | 62.4 Ų | 62.4 | 31% | 0.305 | 31% | 0.311 | S | S | . | . | trans | -119.1 | 123.2 | -170.9 | -68.1 | -91.9 | 0 | 0 | 0 | 113 | Y217 L218 E223 F285 K289 | Y217-N221 WeakPolarHBondContact CD2-ND2 3.29Å; Y217-N221 HydrophobicContact CE1-CB 4.05Å; Y217-N221 HydrophobicContact CE2-CB 4.29Å; Y217-N221 VanDerWaalsContact CE2-CG 3.48Å; Y217-N221 WeakPolarHBondContact CE2-ND2 3.25Å; Y217-N221 WeakPolarHBondContact O-CB 3.39Å; Y217-N221 PolarHBondContact O-N 3.08Å; Y217-N221 PolarHBondContact O-ND2 3.45Å; L218-N221 PolarHBondContact O-N 3.49Å; N221-E223 PolarHBondContact O-N 2.94Å; N221-F285 WeakPolarHBondContact O-CZ 3.47Å; N221-K289 PolarHBondContact O-NZ 3.49Å | ||
| 222 | D | 65.1 | Low | 74 | Confident | 154 Ų | 154 | 63 Ų | 63 | 82% | 0.824 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -75.7 | -1.9 | 177.3 | -74.7 | -27.2 | 0 | 0 | 0 | 114.1 | K289 | D222-K289 WeakPolarHBondContact O-CE 3.44Å; D222-K289 PolarHBondContact O-NZ 3.14Å |
| 223 | E | 62.9 | Low | 73.9 | Confident | 138 Ų | 138 | 61.4 Ų | 61.4 | 65% | 0.645 | 31% | 0.308 | S | S | * | . | trans | -117.8 | 133.6 | 176.3 | -66.7 | -171.3 | 174.2 | 0 | 0 | 111.9 | N221 L225 | N221-E223 PolarHBondContact O-N 2.94Å; E223-L225 PolarHBondContact O-N 2.9Å | ||
| 224 | L | 61.3 | Low | 74.1 | Confident | 53 Ų | 53 | 60.2 Ų | 60.2 | 28% | 0.277 | 30% | 0.303 | S | S | . | . | trans | -95.2 | 89.7 | 172.5 | -122.5 | 159.2 | 0 | 0 | 0 | 106.8 | L218 L282 F285 R286 | L218-L224 HydrophobicContact CD2-CD2 4.37Å; L218-L224 HydrophobicContact CD2-CG 4.36Å; L224-L282 HydrophobicContact CD1-CD1 4.25Å; L224-L282 HydrophobicContact CD2-CD1 3.66Å; L224-F285 HydrophobicContact CB-CE1 4.47Å; L224-F285 HydrophobicContact CD1-CD1 3.4Å; L224-F285 HydrophobicContact CD1-CE1 3.49Å; L224-F285 VanDerWaalsContact CD1-CE1 3.49Å; L224-F285 HydrophobicContact CG-CD1 3.99Å; L224-F285 HydrophobicContact CG-CE1 3.67Å; L224-R286 HydrophobicContact CD1-CG 3.43Å; L224-R286 VanDerWaalsContact CD1-CG 3.43Å | ||
| 225 | L | 59.9 | Low | 74.3 | Confident | 52 Ų | 52 | 61.1 Ų | 61.1 | 27% | 0.272 | 31% | 0.311 | S | S | . | . | trans | -72.7 | 129.6 | 167.3 | -72.4 | 166.6 | 0 | 0 | 0 | 107.8 | Q172 E223 F227 | Q172-L225 HydrophobicContact CG-CD1 4.22Å; E223-L225 PolarHBondContact O-N 2.9Å; L225-F227 HydrophobicContact CB-CD1 4.19Å; L225-F227 HydrophobicContact CB-CE1 3.48Å; L225-F227 VanDerWaalsContact CB-CE1 3.48Å; L225-F227 HydrophobicContact CB-CE2 4.5Å; L225-F227 HydrophobicContact CB-CZ 3.66Å; L225-F227 HydrophobicContact CD1-CE1 4.45Å; L225-F227 WeakPolarHBondContact O-CD2 3.22Å; L225-F227 WeakPolarHBondContact O-CE2 3.48Å; L225-F227 WeakPolarHBondContact O-CG 3.34Å; L225-F227 WeakPolarHBondContact O-CZ 3.19Å; L225-F227 PolarHBondContact O-N 3Å | ||
| 226 | E | 62.9 | Low | 74.6 | Confident | 142 Ų | 142 | 58.1 Ų | 58.1 | 66% | 0.664 | 31% | 0.305 | S | S | * | . | trans | -66.2 | 116.2 | 172.2 | -70.6 | -171 | 165.3 | 0 | 0 | 108.6 | P228 | E226-P228 WeakPolarHBondContact O-CD 3.33Š| ||
| 227 | F | 66 | Low | 75 | Confident | 7 Ų | 7 | 58.3 Ų | 58.3 | 3% | 0.031 | 32% | 0.316 | C | S | . | . | trans | -100.4 | 109.8 | -176.8 | -59 | -54.6 | 0 | 0 | 0 | 109.9 | S169 T170 W214 Y217 L225 Q229 V230 H231 | S169-F227 VanDerWaalsContact C-CD1 3.44Å; S169-F227 WeakPolarHBondContact O-CD1 3.27Å; S169-F227 WeakPolarHBondContact O-CE1 3.28Å; T170-F227 HydrophobicContact CG2-CE2 4.24Å; T170-F227 HydrophobicContact CG2-CZ 4.14Å; W214-F227 AromaticContact NE1-CD2 3.89Å; Y217-F227 HydrophobicContact CD1-CE2 4.12Å; Y217-F227 HydrophobicContact CD1-CZ 4.26Å; Y217-F227 AromaticContact CE1-CE2 3.6Å; Y217-F227 HydrophobicContact CE1-CE2 3.6Å; Y217-F227 AromaticContact CE1-CZ 3.39Å; Y217-F227 HydrophobicContact CE1-CZ 3.39Å; Y217-F227 AromaticContact CZ-CZ 3.68Å; L225-F227 HydrophobicContact CB-CD1 4.19Å; L225-F227 HydrophobicContact CB-CE1 3.48Å; L225-F227 VanDerWaalsContact CB-CE1 3.48Å; L225-F227 HydrophobicContact CB-CE2 4.5Å; L225-F227 HydrophobicContact CB-CZ 3.66Å; L225-F227 HydrophobicContact CD1-CE1 4.45Å; L225-F227 WeakPolarHBondContact O-CD2 3.22Å; L225-F227 WeakPolarHBondContact O-CE2 3.48Å; L225-F227 WeakPolarHBondContact O-CG 3.34Å; L225-F227 WeakPolarHBondContact O-CZ 3.19Å; L225-F227 PolarHBondContact O-N 3Å; F227-Q229 PolarHBondContact O-N 3.31Å; F227-Q229 VanDerWaalsContact O-N 3.09Å; F227-V230 HydrophobicContact CB-CB 4.06Å; F227-V230 HydrophobicContact CB-CG2 3.89Å; F227-V230 HydrophobicContact CD2-CG2 4.46Å; F227-V230 PolarHBondContact O-N 2.82Å; F227-V230 VanDerWaalsContact O-N 3.08Å; F227-H231 PolarHBondContact O-CD2 3.44Å; F227-H231 VanDerWaalsContact O-CD2 3.26Å; F227-H231 PolarHBondContact O-N 3.29Å | ||
| 228 | P | 68.9 | Low | 75.5 | Confident | 48 Ų | 48 | 57 Ų | 57 | 31% | 0.312 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -54.3 | -35 | -174.9 | -27.6 | 35.1 | 0 | 0 | 0 | 113.8 | E226 T232 | E226-P228 WeakPolarHBondContact O-CD 3.33Å; P228-T232 WeakPolarHBondContact O-CB 3.32Å; P228-T232 PolarHBondContact O-N 3.47Å; P228-T232 PolarHBondContact O-OG1 2.91Å |
| 229 | Q | 71.2 | Confident | 76.2 | Confident | 10 Ų | 10 | 56.8 Ų | 56.8 | 5% | 0.047 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -70 | -44.8 | 179.4 | -61.8 | 84.8 | -12.8 | 0 | 0 | 111.8 | I165 S169 L187 V189 F227 T232 I233 | I165-Q229 HydrophobicContact CG2-CB 4.45Å; S169-Q229 WeakPolarHBondContact OG-CB 3.5Å; L187-Q229 HydrophobicContact CD1-CG 4.49Å; V189-Q229 HydrophobicContact CG2-CB 4.12Å; V189-Q229 HydrophobicContact CG2-CG 4.02Å; F227-Q229 PolarHBondContact O-N 3.31Å; F227-Q229 VanDerWaalsContact O-N 3.09Å; Q229-T232 WeakPolarHBondContact O-CB 3.35Å; Q229-T232 PolarHBondContact O-N 3.35Å; Q229-I233 WeakPolarHBondContact O-CG1 3.33Å; Q229-I233 PolarHBondContact O-N 2.84Å |
| 230 | V | 75.1 | Confident | 77 | Confident | 15 Ų | 15 | 53.6 Ų | 53.6 | 9% | 0.091 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.9 | -46.1 | 175.8 | -179.7 | 0 | 0 | 0 | 0 | 109.6 | W214 F227 T232 I233 L234 | W214-V230 HydrophobicContact CH2-CG1 4.21Å; W214-V230 HydrophobicContact CZ2-CG1 3.77Å; F227-V230 HydrophobicContact CB-CB 4.06Å; F227-V230 HydrophobicContact CB-CG2 3.89Å; F227-V230 HydrophobicContact CD2-CG2 4.46Å; F227-V230 PolarHBondContact O-N 2.82Å; F227-V230 VanDerWaalsContact O-N 3.08Å; V230-T232 VanDerWaalsContact C-N 3.27Å; V230-T232 PolarHBondContact O-N 3.42Å; V230-I233 PolarHBondContact O-N 2.81Å; V230-I233 VanDerWaalsContact O-N 3.08Å; V230-L234 HydrophobicContact CG1-CD1 3.91Å; V230-L234 HydrophobicContact CG1-CG 4.18Å; V230-L234 VanDerWaalsContact O-CG 3.3Å; V230-L234 WeakPolarHBondContact O-CG 3.27Å; V230-L234 PolarHBondContact O-N 3.45Å |
| 231 | H | 77.2 | Confident | 77.8 | Confident | 62 Ų | 62 | 48 Ų | 48 | 29% | 0.287 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -58 | -38.6 | 174 | -79.7 | -72.2 | 0 | 0 | 0 | 112.7 | F227 L234 S235 | F227-H231 PolarHBondContact O-CD2 3.44Å; F227-H231 VanDerWaalsContact O-CD2 3.26Å; F227-H231 PolarHBondContact O-N 3.29Å; H231-L234 CarbonylContact O-C 3.57Å; H231-L234 PolarHBondContact O-N 3.39Å; H231-S235 WeakPolarHBondContact O-CB 3.47Å; H231-S235 PolarHBondContact O-N 2.84Å |
| 232 | T | 83 | Confident | 78.8 | Confident | 33 Ų | 33 | 45.2 Ų | 45.2 | 20% | 0.202 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.9 | -44.9 | 174.9 | -61.3 | 0 | 0 | 0 | 0 | 111 | V189 R190 P228 Q229 V230 L234 S235 F238 | V189-T232 HydrophobicContact CB-CG2 4.47Å; V189-T232 HydrophobicContact CG1-CG2 3.95Å; R190-T232 HydrophobicContact CG-CG2 3.8Å; P228-T232 WeakPolarHBondContact O-CB 3.32Å; P228-T232 PolarHBondContact O-N 3.47Å; P228-T232 PolarHBondContact O-OG1 2.91Å; Q229-T232 WeakPolarHBondContact O-CB 3.35Å; Q229-T232 PolarHBondContact O-N 3.35Å; V230-T232 VanDerWaalsContact C-N 3.27Å; V230-T232 PolarHBondContact O-N 3.42Å; T232-L234 VanDerWaalsContact C-N 3.31Å; T232-L234 PolarHBondContact O-N 3.49Å; T232-S235 WeakPolarHBondContact O-CB 3.46Å; T232-S235 PolarHBondContact O-N 3.29Å; T232-S235 VanDerWaalsContact O-N 3.16Å; T232-S235 PolarHBondContact O-OG 3.31Å; T232-F238 WeakPolarHBondContact O-CB 3.3Å |
| 233 | I | 85.2 | Confident | 80.2 | Confident | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.4 | -36.6 | 178.9 | -71.4 | 169.4 | 0 | 0 | 0 | 112 | V189 L192 F207 M210 Q229 V230 S235 F238 I275 | V189-I233 HydrophobicContact CG1-CD1 3.95Å; V189-I233 HydrophobicContact CG1-CG1 3.51Å; L192-I233 HydrophobicContact CD1-CD1 4.43Å; F207-I233 HydrophobicContact CE1-CG2 3.61Å; F207-I233 HydrophobicContact CZ-CG2 4.3Å; M210-I233 HydrophobicContact CE-CD1 3.17Å; M210-I233 HydrophobicContact SD-CD1 4.12Å; Q229-I233 WeakPolarHBondContact O-CG1 3.33Å; Q229-I233 PolarHBondContact O-N 2.84Å; V230-I233 PolarHBondContact O-N 2.81Å; V230-I233 VanDerWaalsContact O-N 3.08Å; I233-S235 PolarHBondContact O-N 3.23Å; I233-F238 HydrophobicContact CG1-CE2 4.34Å; I233-F238 HydrophobicContact CG1-CZ 4.49Å; I233-F238 HydrophobicContact CG2-CE1 4.38Å; I233-F238 WeakPolarHBondContact O-CD1 3.37Å; I233-I275 HydrophobicContact CG2-CD1 4.38Å; I233-I275 HydrophobicContact CG2-CG1 4.14Å |
| 234 | L | 86.8 | Confident | 81.7 | Confident | 18 Ų | 18 | 36 Ų | 36 | 9% | 0.094 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | 3.2 | 177 | -57.9 | -173.6 | 0 | 0 | 0 | 113 | V230 H231 T232 I275 M278 V279 L282 A309 | V230-L234 HydrophobicContact CG1-CD1 3.91Å; V230-L234 HydrophobicContact CG1-CG 4.18Å; V230-L234 VanDerWaalsContact O-CG 3.3Å; V230-L234 WeakPolarHBondContact O-CG 3.27Å; V230-L234 PolarHBondContact O-N 3.45Å; H231-L234 CarbonylContact O-C 3.57Å; H231-L234 PolarHBondContact O-N 3.39Å; T232-L234 VanDerWaalsContact C-N 3.31Å; T232-L234 PolarHBondContact O-N 3.49Å; L234-I275 HydrophobicContact CD2-CG2 3.86Å; L234-M278 HydrophobicContact CD2-CB 4.22Å; L234-V279 HydrophobicContact CD1-CG2 4.36Å; L234-V279 HydrophobicContact CD2-CG2 3.65Å; L234-V279 HydrophobicContact CG-CG2 4.47Å; L234-L282 HydrophobicContact CD1-CD2 3.95Å; L234-A309 HydrophobicContact CB-CB 4.41Å; L234-A309 WeakPolarHBondContact O-CB 3.28Å |
| 235 | S | 87.1 | Confident | 83.2 | Confident | 28 Ų | 28 | 34 Ų | 34 | 20% | 0.196 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -81.5 | 146.8 | 180 | 73.4 | 0 | 0 | 0 | 0 | 111.9 | H231 T232 I233 A237 F238 I239 | H231-S235 WeakPolarHBondContact O-CB 3.47Å; H231-S235 PolarHBondContact O-N 2.84Å; T232-S235 WeakPolarHBondContact O-CB 3.46Å; T232-S235 PolarHBondContact O-N 3.29Å; T232-S235 VanDerWaalsContact O-N 3.16Å; T232-S235 PolarHBondContact O-OG 3.31Å; I233-S235 PolarHBondContact O-N 3.23Å; S235-A237 PolarHBondContact O-N 2.82Å; S235-F238 WeakPolarHBondContact O-CB 3.49Å; S235-F238 PolarHBondContact O-N 3.43Å; S235-F238 PolarHBondContact OG-N 3.4Å; S235-I239 PolarHBondContact O-N 2.96Å |
| 236 | G | 89 | Confident | 84.9 | Confident | 16 Ų | 16 | 31.7 Ų | 31.7 | 17% | 0.165 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -55.2 | -35.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | F238 I239 D240 | G236-F238 VanDerWaalsContact C-N 3.31Å; G236-F238 PolarHBondContact O-N 2.91Å; G236-I239 PolarHBondContact O-N 2.94Å; G236-D240 WeakPolarHBondContact O-CB 3.35Å; G236-D240 PolarHBondContact O-N 2.94Å |
| 237 | A | 89.7 | Confident | 86.4 | Confident | 75 Ų | 75 | 26.7 Ų | 26.7 | 62% | 0.62 | 17% | 0.169 | S | C | * | . | H | α-helix | trans | -63.6 | -33.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | S235 G241 | S235-A237 PolarHBondContact O-N 2.82Å; A237-G241 PolarHBondContact O-N 3.25Å; A237-G241 VanDerWaalsContact O-N 3.08Å |
| 238 | F | 91.1 | Very high | 87.6 | Confident | 7 Ų | 7 | 30.8 Ų | 30.8 | 3% | 0.031 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -71.7 | -43.9 | 174.9 | -176 | -86 | 0 | 0 | 0 | 111.4 | V189 L192 P193 F207 T232 I233 S235 G236 D240 G241 L242 I275 | V189-F238 HydrophobicContact CG1-CE2 4.49Å; V189-F238 WeakPolarHBondContact O-CE2 3.12Å; L192-F238 HydrophobicContact CB-CE2 3.96Å; L192-F238 HydrophobicContact CB-CZ 4.04Å; L192-F238 HydrophobicContact CD1-CE2 4.36Å; L192-F238 HydrophobicContact CD1-CZ 4.47Å; P193-F238 HydrophobicContact CG-CD2 4.24Å; P193-F238 HydrophobicContact CG-CE2 3.85Å; P193-F238 HydrophobicContact CG-CZ 3.98Å; F207-F238 HydrophobicContact CE1-CE1 4.24Å; F207-F238 HydrophobicContact CE1-CZ 4.49Å; F207-F238 AromaticContact CZ-CE1 3.77Å; F207-F238 HydrophobicContact CZ-CE1 3.77Å; F207-F238 AromaticContact CZ-CZ 3.65Å; F207-F238 HydrophobicContact CZ-CZ 3.65Å; T232-F238 WeakPolarHBondContact O-CB 3.3Å; I233-F238 HydrophobicContact CG1-CE2 4.34Å; I233-F238 HydrophobicContact CG1-CZ 4.49Å; I233-F238 HydrophobicContact CG2-CE1 4.38Å; I233-F238 WeakPolarHBondContact O-CD1 3.37Å; S235-F238 WeakPolarHBondContact O-CB 3.49Å; S235-F238 PolarHBondContact O-N 3.43Å; S235-F238 PolarHBondContact OG-N 3.4Å; G236-F238 VanDerWaalsContact C-N 3.31Å; G236-F238 PolarHBondContact O-N 2.91Å; F238-D240 VanDerWaalsContact C-N 3.3Å; F238-D240 PolarHBondContact O-N 2.82Å; F238-G241 PolarHBondContact O-N 3.27Å; F238-L242 PolarHBondContact O-N 3.15Å; F238-I275 HydrophobicContact CD1-CD1 4.34Å; F238-I275 HydrophobicContact CE1-CD1 4.04Å |
| 239 | I | 93.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.1 | -43.3 | 174.4 | -56.6 | -56.8 | 0 | 0 | 0 | 110.6 | S235 G236 G241 L242 C243 L272 I275 A312 I313 | S235-I239 PolarHBondContact O-N 2.96Å; G236-I239 PolarHBondContact O-N 2.94Å; I239-G241 PolarHBondContact O-N 3.34Å; I239-L242 PolarHBondContact O-N 3.47Å; I239-C243 WeakPolarHBondContact O-CB 3.25Å; I239-C243 PolarHBondContact O-N 3.41Å; I239-C243 PolarHBondContact O-SG 3.45Å; I239-L272 HydrophobicContact CD1-CD2 3.88Å; I239-L272 HydrophobicContact CG2-CD2 4.25Å; I239-I275 HydrophobicContact CD1-CD1 3.84Å; I239-I275 HydrophobicContact CD1-CG2 4.05Å; I239-A312 HydrophobicContact CB-CB 4.05Å; I239-A312 HydrophobicContact CG1-CB 4.22Å; I239-A312 HydrophobicContact CG2-CB 4.05Å; I239-I313 HydrophobicContact CD1-CD1 4.3Å; I239-I313 HydrophobicContact CD1-CG1 4.16Å; I239-I313 HydrophobicContact CG1-CG1 4.37Å; I239-I313 HydrophobicContact CG2-CG1 3.83Å |
| 240 | D | 92.8 | Very high | 89 | Confident | 64 Ų | 64 | 34.3 Ų | 34.3 | 34% | 0.342 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -58 | -46.3 | 174.1 | -81.6 | -34.8 | 0 | 0 | 0 | 112 | G236 F238 L242 C243 T244 K316 | G236-D240 WeakPolarHBondContact O-CB 3.35Å; G236-D240 PolarHBondContact O-N 2.94Å; F238-D240 VanDerWaalsContact C-N 3.3Å; F238-D240 PolarHBondContact O-N 2.82Å; D240-L242 VanDerWaalsContact C-N 3.35Å; D240-L242 PolarHBondContact O-N 2.91Å; D240-C243 PolarHBondContact O-N 3.16Å; D240-T244 WeakPolarHBondContact O-CB 3.45Å; D240-T244 PolarHBondContact O-N 3.46Å; D240-T244 PolarHBondContact O-OG1 2.91Å; D240-K316 WeakPolarHBondContact OD1-CE 3.38Å; D240-K316 IonicContact OD1-NZ 3.97Å; D240-K316 PolarHBondContact OD1-NZ 3.49Å |
| 241 | G | 93 | Very high | 89.1 | Confident | 26 Ų | 26 | 40.3 Ų | 40.3 | 27% | 0.268 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60.3 | -44 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A237 F238 I239 T244 V245 | A237-G241 PolarHBondContact O-N 3.25Å; A237-G241 VanDerWaalsContact O-N 3.08Å; F238-G241 PolarHBondContact O-N 3.27Å; I239-G241 PolarHBondContact O-N 3.34Å; G241-T244 PolarHBondContact O-N 3.05Å; G241-V245 PolarHBondContact O-N 2.87Å |
| 242 | L | 93.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63 | -52.1 | 177.7 | -166.7 | 77.1 | 0 | 0 | 0 | 111.7 | P193 L196 F203 F238 I239 D240 T244 V245 M246 A271 L272 | P193-L242 HydrophobicContact CB-CD1 4.49Å; L196-L242 HydrophobicContact CD1-CD1 3.39Å; L196-L242 HydrophobicContact CD1-CG 4.16Å; L196-L242 HydrophobicContact CG-CD1 4.23Å; F203-L242 HydrophobicContact CD1-CD1 4.4Å; F203-L242 HydrophobicContact CE1-CD1 3.48Å; F203-L242 VanDerWaalsContact CE1-CD1 3.48Å; F203-L242 HydrophobicContact CZ-CD1 4.09Å; F238-L242 PolarHBondContact O-N 3.15Å; I239-L242 PolarHBondContact O-N 3.47Å; D240-L242 VanDerWaalsContact C-N 3.35Å; D240-L242 PolarHBondContact O-N 2.91Å; L242-T244 VanDerWaalsContact C-N 3.26Å; L242-T244 PolarHBondContact O-N 3.38Å; L242-V245 PolarHBondContact O-N 2.8Å; L242-V245 VanDerWaalsContact O-N 3.09Å; L242-M246 HydrophobicContact CD2-SD 4.27Å; L242-M246 HydrophobicContact CG-SD 4.06Å; L242-M246 WeakPolarHBondContact O-CG 3.48Å; L242-M246 PolarHBondContact O-N 3.47Å; L242-A271 HydrophobicContact CD2-CB 4.16Å; L242-L272 HydrophobicContact CD2-CD1 4.47Å; L242-L272 HydrophobicContact CD2-CD2 3.45Å; L242-L272 VanDerWaalsContact CD2-CD2 3.45Å; L242-L272 HydrophobicContact CD2-CG 3.57Å |
| 243 | C | 95 | Very high | 87.9 | Confident | 3 Ų | 3 | 47.5 Ų | 47.5 | 2% | 0.02 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.6 | -36.3 | 177.5 | -74.7 | 0 | 0 | 0 | 0 | 112.2 | I239 D240 V245 M246 F247 K316 | I239-C243 WeakPolarHBondContact O-CB 3.25Å; I239-C243 PolarHBondContact O-N 3.41Å; I239-C243 PolarHBondContact O-SG 3.45Å; D240-C243 PolarHBondContact O-N 3.16Å; C243-V245 VanDerWaalsContact C-N 3.29Å; C243-V245 PolarHBondContact O-N 2.93Å; C243-M246 PolarHBondContact O-N 2.98Å; C243-F247 HydrophobicContact CB-CD2 3.86Å; C243-F247 HydrophobicContact CB-CE2 3.53Å; C243-F247 HydrophobicContact CB-CZ 4.4Å; C243-F247 WeakPolarHBondContact O-CB 3.48Å; C243-F247 WeakPolarHBondContact O-CD2 3.47Å; C243-F247 VanDerWaalsContact O-CG 3.27Å; C243-F247 WeakPolarHBondContact O-CG 3.3Å; C243-F247 PolarHBondContact O-N 3.4Å; C243-K316 HydrophobicContact CB-CG 4.43Å |
| 244 | T | 94 | Very high | 86.6 | Confident | 96 Ų | 96 | 56.4 Ų | 56.4 | 59% | 0.589 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -61.3 | -37.8 | 176.4 | -61.5 | 0 | 0 | 0 | 0 | 112 | D240 G241 L242 R248 | D240-T244 WeakPolarHBondContact O-CB 3.45Å; D240-T244 PolarHBondContact O-N 3.46Å; D240-T244 PolarHBondContact O-OG1 2.91Å; G241-T244 PolarHBondContact O-N 3.05Å; L242-T244 VanDerWaalsContact C-N 3.26Å; L242-T244 PolarHBondContact O-N 3.38Å; T244-R248 WeakPolarHBondContact O-CG 3.43Å |
| 245 | V | 92.6 | Very high | 85.7 | Confident | 10 Ų | 10 | 61.2 Ų | 61.2 | 6% | 0.061 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -75.8 | -41.7 | 176.4 | -178.7 | 0 | 0 | 0 | 0 | 111.1 | P193 L196 G241 L242 C243 F247 V264 | P193-V245 HydrophobicContact CB-CG2 4.35Å; L196-V245 HydrophobicContact CB-CG1 3.78Å; L196-V245 HydrophobicContact CD1-CB 4.37Å; L196-V245 HydrophobicContact CD1-CG1 4.25Å; G241-V245 PolarHBondContact O-N 2.87Å; L242-V245 PolarHBondContact O-N 2.8Å; L242-V245 VanDerWaalsContact O-N 3.09Å; C243-V245 VanDerWaalsContact C-N 3.29Å; C243-V245 PolarHBondContact O-N 2.93Å; V245-F247 PolarHBondContact O-N 2.93Å; V245-V264 HydrophobicContact CG1-CG1 4.13Å |
| 246 | M | 94.5 | Very high | 85.4 | Confident | 3 Ų | 3 | 64 Ų | 64 | 2% | 0.015 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.2 | -40.4 | 179.1 | -68.5 | 172.6 | 67 | 0 | 0 | 113.2 | L196 L242 C243 F265 G268 L272 F320 | L196-M246 HydrophobicContact CD1-CG 4.18Å; L242-M246 HydrophobicContact CD2-SD 4.27Å; L242-M246 HydrophobicContact CG-SD 4.06Å; L242-M246 WeakPolarHBondContact O-CG 3.48Å; L242-M246 PolarHBondContact O-N 3.47Å; C243-M246 PolarHBondContact O-N 2.98Å; M246-F265 HydrophobicContact CE-CD2 4.46Å; M246-G268 VanDerWaalsContact CE-C 3.46Å; M246-G268 VanDerWaalsContact SD-C 3.59Å; M246-G268 VanDerWaalsContact SD-CA 3.51Å; M246-L272 HydrophobicContact CE-CD1 4.27Å; M246-L272 HydrophobicContact SD-CD1 4.08Å; M246-F320 HydrophobicContact CE-CE1 3.58Å; M246-F320 HydrophobicContact CE-CZ 3.65Å |
| 247 | F | 94.2 | Very high | 85.4 | Confident | 38 Ų | 38 | 64 Ų | 64 | 17% | 0.167 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | 20.6 | -172.2 | -52.2 | -40.2 | 0 | 0 | 0 | 113.6 | C243 V245 P249 Y259 F265 P319 F320 | C243-F247 HydrophobicContact CB-CD2 3.86Å; C243-F247 HydrophobicContact CB-CE2 3.53Å; C243-F247 HydrophobicContact CB-CZ 4.4Å; C243-F247 WeakPolarHBondContact O-CB 3.48Å; C243-F247 WeakPolarHBondContact O-CD2 3.47Å; C243-F247 VanDerWaalsContact O-CG 3.27Å; C243-F247 WeakPolarHBondContact O-CG 3.3Å; C243-F247 PolarHBondContact O-N 3.4Å; V245-F247 PolarHBondContact O-N 2.93Å; F247-P249 WeakPolarHBondContact O-CD 3.48Å; F247-P249 VanDerWaalsContact O-N 3.16Å; F247-Y259 HydrophobicContact CB-CD1 4.22Å; F247-Y259 HydrophobicContact CB-CE1 3.97Å; F247-Y259 HydrophobicContact CD1-CD1 4.47Å; F247-Y259 AromaticContact CD1-CE1 3.93Å; F247-Y259 HydrophobicContact CD1-CE1 3.93Å; F247-Y259 HydrophobicContact CD1-CE2 4.33Å; F247-Y259 AromaticContact CD1-CZ 3.86Å; F247-Y259 HydrophobicContact CG-CE1 4.33Å; F247-F265 HydrophobicContact CD1-CD2 4.3Å; F247-F265 AromaticContact CD1-CE2 3.98Å; F247-F265 HydrophobicContact CD1-CE2 3.98Å; F247-F265 HydrophobicContact CE1-CD2 4.31Å; F247-F265 AromaticContact CE1-CE2 3.67Å; F247-F265 HydrophobicContact CE1-CE2 3.67Å; F247-P319 HydrophobicContact CD1-CB 3.79Å; F247-P319 HydrophobicContact CD1-CG 4.5Å; F247-P319 HydrophobicContact CD2-CB 4.05Å; F247-P319 HydrophobicContact CD2-CG 3.88Å; F247-P319 HydrophobicContact CE1-CB 3.58Å; F247-P319 HydrophobicContact CE1-CG 4.39Å; F247-P319 HydrophobicContact CE2-CB 3.85Å; F247-P319 HydrophobicContact CE2-CG 3.74Å; F247-P319 HydrophobicContact CG-CB 4.03Å; F247-P319 HydrophobicContact CG-CG 4.27Å; F247-P319 HydrophobicContact CZ-CB 3.6Å; F247-P319 HydrophobicContact CZ-CG 4.01Å; F247-F320 HydrophobicContact CE1-CD1 4.42Å; F247-F320 AromaticContact CE1-CE1 3.99Å; F247-F320 HydrophobicContact CE1-CE1 3.99Å; F247-F320 HydrophobicContact CE1-CE2 4.33Å; F247-F320 AromaticContact CE1-CZ 3.95Å; F247-F320 HydrophobicContact CE1-CZ 3.95Å; F247-F320 HydrophobicContact CZ-CD2 4.06Å; F247-F320 HydrophobicContact CZ-CE1 4.04Å; F247-F320 AromaticContact CZ-CE2 3.57Å; F247-F320 HydrophobicContact CZ-CE2 3.57Å; F247-F320 AromaticContact CZ-CZ 3.53Å; F247-F320 HydrophobicContact CZ-CZ 3.53Å |
| 248 | R | 92 | Very high | 85.4 | Confident | 92 Ų | 92 | 62.1 Ų | 62.1 | 35% | 0.347 | 33% | 0.33 | S | S | . | . | P | Polyproline II helix | trans | -58.1 | 121.3 | 172.1 | -73.3 | -176.1 | -175.5 | 156.3 | 4.7 | 109 | S197 T244 Y259 E260 | S197-R248 PolarHBondContact OG-NH1 3.02Å; T244-R248 WeakPolarHBondContact O-CG 3.43Å; R248-Y259 CarbonylContact O-C 3.48Å; R248-Y259 WeakPolarHBondContact O-CA 3.32Å; R248-Y259 WeakPolarHBondContact O-CB 3.41Å; R248-E260 HydrophobicContact CB-CB 4.14Å; R248-E260 WeakPolarHBondContact CB-OE2 3.49Å; R248-E260 VanDerWaalsContact CD-OE2 3.28Å; R248-E260 WeakPolarHBondContact CD-OE2 3.36Å; R248-E260 PolarHBondContact O-N 2.95Å |
| 249 | P | 88.6 | Confident | 85.4 | Confident | 99 Ų | 99 | 62.9 Ų | 62.9 | 64% | 0.643 | 33% | 0.333 | S | S | * | . | B | Isolated β-bridge | trans | -66.7 | 141.6 | -174.2 | 26.8 | -33.7 | 0 | 0 | 0 | 109.9 | F247 T251 | F247-P249 WeakPolarHBondContact O-CD 3.48Å; F247-P249 VanDerWaalsContact O-N 3.16Å; P249-T251 PolarHBondContact O-N 3.02Å |
| 250 | N | 81.9 | Confident | 85.2 | Confident | 33 Ų | 33 | 68.1 Ų | 68.1 | 18% | 0.176 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -69.8 | 128.3 | 170 | -167.8 | 3.9 | 0 | 0 | 0 | 109.8 | S252 K255 P258 | N250-S252 VanDerWaalsContact CG-OG 3.3Å; N250-S252 PolarHBondContact ND2-OG 3.43Å; N250-S252 PolarHBondContact OD1-N 3.32Å; N250-S252 VanDerWaalsContact OD1-N 3.12Å; N250-S252 PolarHBondContact OD1-OG 3.29Å; N250-S252 VanDerWaalsContact OD1-OG 3.04Å; N250-K255 WeakPolarHBondContact ND2-CB 3.18Å; N250-P258 PolarHBondContact N-O 2.97Å |
| 251 | T | 77.1 | Confident | 85.1 | Confident | 141 Ų | 141 | 67.1 Ų | 67.1 | 87% | 0.865 | 36% | 0.356 | S | S | * | . | trans | -85.2 | -11.2 | 176.4 | 54.1 | 0 | 0 | 0 | 0 | 112.9 | P249 | P249-T251 PolarHBondContact O-N 3.02Š| ||
| 252 | S | 72.3 | Confident | 85 | Confident | 45 Ų | 45 | 69 Ų | 69 | 32% | 0.315 | 36% | 0.357 | S | S | . | . | trans | -86.1 | 124.1 | 176 | 75.3 | 0 | 0 | 0 | 0 | 111.2 | N250 E254 | N250-S252 VanDerWaalsContact CG-OG 3.3Å; N250-S252 PolarHBondContact ND2-OG 3.43Å; N250-S252 PolarHBondContact OD1-N 3.32Å; N250-S252 VanDerWaalsContact OD1-N 3.12Å; N250-S252 PolarHBondContact OD1-OG 3.29Å; N250-S252 VanDerWaalsContact OD1-OG 3.04Å; S252-E254 PolarHBondContact O-N 2.91Å | ||
| 253 | E | 61.5 | Low | 84.8 | Confident | 201 Ų | 201 | 72 Ų | 72 | 94% | 0.939 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -15.1 | 175.2 | -64.2 | -173.8 | 165.6 | 0 | 0 | 113.4 | ||
| 254 | E | 58.5 | Low | 84.6 | Confident | 189 Ų | 189 | 73.2 Ų | 73.2 | 88% | 0.883 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | 3.2 | -169.3 | -69.4 | -173.9 | 158.2 | 0 | 0 | 116.1 | S252 | S252-E254 PolarHBondContact O-N 2.91Š|
| 255 | K | 67.8 | Low | 84.6 | Confident | 119 Ų | 119 | 68.6 Ų | 68.6 | 52% | 0.517 | 36% | 0.362 | S | S | . | . | trans | -110.4 | 134.2 | -178.1 | -62.7 | -169.5 | -171.7 | 170.5 | 0 | 113.5 | N250 F257 R326 | N250-K255 WeakPolarHBondContact ND2-CB 3.18Å; K255-F257 PolarHBondContact O-N 2.8Å; K255-R326 PolarHBondContact O-NH2 3.3Å | ||
| 256 | D | 80.9 | Confident | 84.7 | Confident | 86 Ų | 86 | 69.7 Ų | 69.7 | 46% | 0.46 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -59.8 | -28.1 | 171.1 | -76 | -18.5 | 0 | 0 | 0 | 112.8 | R326 I330 | D256-R326 PolarHBondContact O-NE 3.47Å; D256-R326 PolarHBondContact O-NH2 2.81Å; D256-I330 HydrophobicContact CB-CD1 4.21Å |
| 257 | F | 88.6 | Confident | 84.6 | Confident | 18 Ų | 18 | 71.7 Ų | 71.7 | 8% | 0.079 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -86.7 | 130.9 | -179.8 | -174.6 | -106.3 | 0 | 0 | 0 | 111.6 | K255 Y259 E262 F265 L323 F343 A346 | K255-F257 PolarHBondContact O-N 2.8Å; F257-Y259 VanDerWaalsContact CD1-O 3.25Å; F257-Y259 WeakPolarHBondContact CD1-O 3.35Å; F257-Y259 AromaticContact CE1-CD2 3.95Å; F257-Y259 HydrophobicContact CE1-CD2 3.95Å; F257-Y259 HydrophobicContact CE1-CG 4.29Å; F257-Y259 HydrophobicContact CE2-CD2 4.26Å; F257-Y259 AromaticContact CZ-CD2 3.64Å; F257-Y259 HydrophobicContact CZ-CD2 3.64Å; F257-Y259 HydrophobicContact CZ-CG 4.42Å; F257-Y259 PolarHBondContact O-N 3.25Å; F257-E262 HydrophobicContact CD1-CB 4.16Å; F257-E262 HydrophobicContact CD2-CG 4.39Å; F257-E262 VanDerWaalsContact CE1-CA 3.42Å; F257-E262 HydrophobicContact CE1-CB 3.99Å; F257-E262 HydrophobicContact CE2-CB 4.46Å; F257-E262 HydrophobicContact CE2-CG 4.14Å; F257-E262 HydrophobicContact CG-CB 4.45Å; F257-E262 HydrophobicContact CZ-CB 4.15Å; F257-E262 HydrophobicContact CZ-CG 4.21Å; F257-F265 HydrophobicContact CE1-CB 4.39Å; F257-F265 HydrophobicContact CZ-CB 3.76Å; F257-F265 HydrophobicContact CZ-CD1 4.3Å; F257-F265 HydrophobicContact CZ-CD2 4.27Å; F257-F265 AromaticContact CZ-CG 3.87Å; F257-F265 HydrophobicContact CZ-CG 3.87Å; F257-L323 HydrophobicContact CD2-CD1 3.81Å; F257-L323 HydrophobicContact CE2-CD1 3.51Å; F257-L323 HydrophobicContact CE2-CD2 4.33Å; F257-L323 HydrophobicContact CZ-CD1 4.5Å; F257-F343 HydrophobicContact CB-CD1 4.47Å; F257-F343 HydrophobicContact CD2-CB 3.72Å; F257-F343 HydrophobicContact CD2-CD1 4.07Å; F257-F343 HydrophobicContact CD2-CD2 4.23Å; F257-F343 AromaticContact CD2-CG 3.74Å; F257-F343 HydrophobicContact CD2-CG 3.74Å; F257-F343 HydrophobicContact CE2-CB 4.37Å; F257-F343 HydrophobicContact CE2-CG 4.42Å; F257-A346 HydrophobicContact CD2-CB 4.44Å; F257-A346 HydrophobicContact CE2-CB 3.56Å; F257-A346 HydrophobicContact CZ-CB 4.15Å |
| 258 | P | 88.9 | Confident | 84.6 | Confident | 34 Ų | 34 | 69.9 Ų | 69.9 | 22% | 0.221 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -78.3 | -14.8 | -168.1 | 29.3 | -35 | 0 | 0 | 0 | 115.8 | N250 L323 | N250-P258 PolarHBondContact N-O 2.97Å; P258-L323 HydrophobicContact CG-CD1 3.72Å |
| 259 | Y | 92.1 | Very high | 84.8 | Confident | 24 Ų | 24 | 65.6 Ų | 65.6 | 9% | 0.094 | 35% | 0.354 | C | S | . | . | B | Isolated β-bridge | trans | -111.8 | 163 | -175.6 | -47.4 | -67.4 | 0 | 0 | 0 | 112.5 | F247 R248 F257 S261 F265 P319 L323 | F247-Y259 HydrophobicContact CB-CD1 4.22Å; F247-Y259 HydrophobicContact CB-CE1 3.97Å; F247-Y259 HydrophobicContact CD1-CD1 4.47Å; F247-Y259 AromaticContact CD1-CE1 3.93Å; F247-Y259 HydrophobicContact CD1-CE1 3.93Å; F247-Y259 HydrophobicContact CD1-CE2 4.33Å; F247-Y259 AromaticContact CD1-CZ 3.86Å; F247-Y259 HydrophobicContact CG-CE1 4.33Å; R248-Y259 CarbonylContact O-C 3.48Å; R248-Y259 WeakPolarHBondContact O-CA 3.32Å; R248-Y259 WeakPolarHBondContact O-CB 3.41Å; F257-Y259 VanDerWaalsContact CD1-O 3.25Å; F257-Y259 WeakPolarHBondContact CD1-O 3.35Å; F257-Y259 AromaticContact CE1-CD2 3.95Å; F257-Y259 HydrophobicContact CE1-CD2 3.95Å; F257-Y259 HydrophobicContact CE1-CG 4.29Å; F257-Y259 HydrophobicContact CE2-CD2 4.26Å; F257-Y259 AromaticContact CZ-CD2 3.64Å; F257-Y259 HydrophobicContact CZ-CD2 3.64Å; F257-Y259 HydrophobicContact CZ-CG 4.42Å; F257-Y259 PolarHBondContact O-N 3.25Å; Y259-S261 PolarHBondContact O-N 3.33Å; Y259-F265 AromaticContact CD2-CD2 3.4Å; Y259-F265 HydrophobicContact CD2-CD2 3.4Å; Y259-F265 AromaticContact CD2-CE2 3.65Å; Y259-F265 HydrophobicContact CD2-CE2 3.65Å; Y259-F265 HydrophobicContact CD2-CG 4.26Å; Y259-F265 AromaticContact CE2-CD2 3.6Å; Y259-F265 HydrophobicContact CE2-CD2 3.6Å; Y259-F265 AromaticContact CE2-CE2 3.3Å; Y259-F265 HydrophobicContact CE2-CE2 3.3Å; Y259-F265 HydrophobicContact CE2-CZ 4.22Å; Y259-F265 HydrophobicContact CG-CD2 4.26Å; Y259-P319 WeakPolarHBondContact OH-CB 3.48Å; Y259-P319 PolarHBondContact OH-O 3.23Å; Y259-P319 VanDerWaalsContact OH-O 3.14Å; Y259-L323 HydrophobicContact CE2-CD1 4.27Å |
| 260 | E | 89.5 | Confident | 85.1 | Confident | 110 Ų | 110 | 61.6 Ų | 61.6 | 51% | 0.514 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -52.7 | -40.2 | -174.6 | -174.6 | -179.7 | -176 | 0 | 0 | 112.8 | R248 | R248-E260 HydrophobicContact CB-CB 4.14Å; R248-E260 WeakPolarHBondContact CB-OE2 3.49Å; R248-E260 VanDerWaalsContact CD-OE2 3.28Å; R248-E260 WeakPolarHBondContact CD-OE2 3.36Å; R248-E260 PolarHBondContact O-N 2.95Å |
| 261 | S | 89.8 | Confident | 85.7 | Confident | 43 Ų | 43 | 60 Ų | 60 | 30% | 0.301 | 32% | 0.322 | S | S | . | . | trans | -146.8 | 125.4 | -178.5 | 174.9 | 0 | 0 | 0 | 0 | 112.5 | Y259 A263 V264 F265 | Y259-S261 PolarHBondContact O-N 3.33Å; S261-A263 VanDerWaalsContact C-N 3.31Å; S261-A263 PolarHBondContact OG-N 3.19Å; S261-V264 PolarHBondContact O-N 2.93Å; S261-V264 WeakPolarHBondContact OG-CG2 3.39Å; S261-V264 PolarHBondContact OG-N 3.44Å; S261-F265 PolarHBondContact O-N 2.9Å; S261-F265 VanDerWaalsContact O-N 3.17Å | ||
| 262 | E | 91.1 | Very high | 86.5 | Confident | 64 Ų | 64 | 53.3 Ų | 53.3 | 30% | 0.299 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.3 | -40.5 | 173 | -168.2 | -179.7 | 169.6 | 0 | 0 | 110.9 | F257 V264 F265 V266 F343 E345 A346 | F257-E262 HydrophobicContact CD1-CB 4.16Å; F257-E262 HydrophobicContact CD2-CG 4.39Å; F257-E262 VanDerWaalsContact CE1-CA 3.42Å; F257-E262 HydrophobicContact CE1-CB 3.99Å; F257-E262 HydrophobicContact CE2-CB 4.46Å; F257-E262 HydrophobicContact CE2-CG 4.14Å; F257-E262 HydrophobicContact CG-CB 4.45Å; F257-E262 HydrophobicContact CZ-CB 4.15Å; F257-E262 HydrophobicContact CZ-CG 4.21Å; E262-V264 PolarHBondContact O-N 2.96Å; E262-F265 PolarHBondContact O-N 2.87Å; E262-V266 HydrophobicContact CG-CG2 4.34Å; E262-V266 VanDerWaalsContact O-CG2 3.22Å; E262-V266 WeakPolarHBondContact O-CG2 3.28Å; E262-V266 PolarHBondContact O-N 2.85Å; E262-F343 HydrophobicContact CG-CB 4.47Å; E262-F343 VanDerWaalsContact OE1-CA 3.31Å; E262-F343 WeakPolarHBondContact OE1-CA 3.27Å; E262-F343 WeakPolarHBondContact OE1-CB 2.77Å; E262-E345 PolarHBondContact OE1-N 3.21Å; E262-A346 HydrophobicContact CG-CB 3.74Å; E262-A346 PolarHBondContact OE1-N 3.5Å |
| 263 | A | 89.7 | Confident | 87.6 | Confident | 63 Ų | 63 | 53.6 Ų | 53.6 | 52% | 0.521 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.2 | -44.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | S261 F265 V266 E267 | S261-A263 VanDerWaalsContact C-N 3.31Å; S261-A263 PolarHBondContact OG-N 3.19Å; A263-F265 VanDerWaalsContact C-N 3.32Å; A263-F265 PolarHBondContact O-N 3.32Å; A263-V266 PolarHBondContact O-N 2.95Å; A263-E267 WeakPolarHBondContact O-CB 3.32Å; A263-E267 WeakPolarHBondContact O-CG 2.93Å; A263-E267 PolarHBondContact O-N 3.29Å |
| 264 | V | 91.6 | Very high | 89.2 | Confident | 29 Ų | 29 | 44.8 Ų | 44.8 | 18% | 0.176 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.9 | -43.2 | 176.9 | 172.8 | 0 | 0 | 0 | 0 | 110.9 | L196 V245 S261 E262 G268 | L196-V264 HydrophobicContact CB-CG1 4.21Å; L196-V264 WeakPolarHBondContact O-CG2 3.36Å; V245-V264 HydrophobicContact CG1-CG1 4.13Å; S261-V264 PolarHBondContact O-N 2.93Å; S261-V264 WeakPolarHBondContact OG-CG2 3.39Å; S261-V264 PolarHBondContact OG-N 3.44Å; E262-V264 PolarHBondContact O-N 2.96Å; V264-G268 PolarHBondContact O-N 3Å |
| 265 | F | 94.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64 | -43.5 | 177.9 | -176.8 | -82.2 | 0 | 0 | 0 | 112 | M246 F247 F257 Y259 S261 E262 A263 G268 C269 F320 L323 A346 T350 | M246-F265 HydrophobicContact CE-CD2 4.46Å; F247-F265 HydrophobicContact CD1-CD2 4.3Å; F247-F265 AromaticContact CD1-CE2 3.98Å; F247-F265 HydrophobicContact CD1-CE2 3.98Å; F247-F265 HydrophobicContact CE1-CD2 4.31Å; F247-F265 AromaticContact CE1-CE2 3.67Å; F247-F265 HydrophobicContact CE1-CE2 3.67Å; F257-F265 HydrophobicContact CE1-CB 4.39Å; F257-F265 HydrophobicContact CZ-CB 3.76Å; F257-F265 HydrophobicContact CZ-CD1 4.3Å; F257-F265 HydrophobicContact CZ-CD2 4.27Å; F257-F265 AromaticContact CZ-CG 3.87Å; F257-F265 HydrophobicContact CZ-CG 3.87Å; Y259-F265 AromaticContact CD2-CD2 3.4Å; Y259-F265 HydrophobicContact CD2-CD2 3.4Å; Y259-F265 AromaticContact CD2-CE2 3.65Å; Y259-F265 HydrophobicContact CD2-CE2 3.65Å; Y259-F265 HydrophobicContact CD2-CG 4.26Å; Y259-F265 AromaticContact CE2-CD2 3.6Å; Y259-F265 HydrophobicContact CE2-CD2 3.6Å; Y259-F265 AromaticContact CE2-CE2 3.3Å; Y259-F265 HydrophobicContact CE2-CE2 3.3Å; Y259-F265 HydrophobicContact CE2-CZ 4.22Å; Y259-F265 HydrophobicContact CG-CD2 4.26Å; S261-F265 PolarHBondContact O-N 2.9Å; S261-F265 VanDerWaalsContact O-N 3.17Å; E262-F265 PolarHBondContact O-N 2.87Å; A263-F265 VanDerWaalsContact C-N 3.32Å; A263-F265 PolarHBondContact O-N 3.32Å; F265-G268 PolarHBondContact O-N 3.27Å; F265-C269 WeakPolarHBondContact CE1-SG 3.34Å; F265-C269 PolarHBondContact O-N 3.38Å; F265-C269 PolarHBondContact O-SG 3.26Å; F265-F320 HydrophobicContact CE1-CD1 4.43Å; F265-F320 HydrophobicContact CE1-CE1 4.47Å; F265-F320 HydrophobicContact CE2-CD1 4.27Å; F265-F320 HydrophobicContact CE2-CE1 4.18Å; F265-F320 AromaticContact CZ-CD1 3.62Å; F265-F320 HydrophobicContact CZ-CD1 3.62Å; F265-F320 AromaticContact CZ-CE1 3.78Å; F265-F320 HydrophobicContact CZ-CE1 3.78Å; F265-L323 HydrophobicContact CD1-CD2 4.31Å; F265-L323 HydrophobicContact CE1-CD2 3.47Å; F265-L323 VanDerWaalsContact CE1-CD2 3.47Å; F265-L323 HydrophobicContact CE2-CD2 4.39Å; F265-L323 HydrophobicContact CZ-CD2 3.51Å; F265-A346 HydrophobicContact CD1-CB 3.71Å; F265-A346 HydrophobicContact CE1-CB 4.04Å; F265-T350 WeakPolarHBondContact CE1-OG1 3.48Å |
| 266 | V | 93.6 | Very high | 91.9 | Very high | 33 Ų | 33 | 30.1 Ų | 30.1 | 20% | 0.2 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.8 | -47 | 178.4 | 171.6 | 0 | 0 | 0 | 0 | 111.1 | E262 A263 G268 C269 G270 E345 A346 | E262-V266 HydrophobicContact CG-CG2 4.34Å; E262-V266 VanDerWaalsContact O-CG2 3.22Å; E262-V266 WeakPolarHBondContact O-CG2 3.28Å; E262-V266 PolarHBondContact O-N 2.85Å; A263-V266 PolarHBondContact O-N 2.95Å; V266-G268 VanDerWaalsContact C-N 3.29Å; V266-G268 PolarHBondContact O-N 2.92Å; V266-C269 WeakPolarHBondContact O-CB 3.44Å; V266-C269 PolarHBondContact O-N 3.46Å; V266-G270 PolarHBondContact O-N 2.93Å; V266-E345 VanDerWaalsContact CG2-C 3.49Å; V266-E345 HydrophobicContact CG2-CB 3.75Å; V266-A346 HydrophobicContact CG2-CB 4.05Å |
| 267 | E | 93.3 | Very high | 92.4 | Very high | 45 Ų | 45 | 27.9 Ų | 27.9 | 21% | 0.21 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.9 | -37.7 | 176 | -74.5 | -61.9 | 145.6 | 0 | 0 | 111.9 | L196 F203 T204 A263 G270 A271 | L196-E267 HydrophobicContact CD2-CB 3.59Å; F203-E267 HydrophobicContact CB-CB 4.42Å; F203-E267 PolarHBondContact N-OE2 3.08Å; T204-E267 VanDerWaalsContact CB-OE2 3.24Å; T204-E267 WeakPolarHBondContact CB-OE2 3.43Å; T204-E267 PolarHBondContact N-OE2 3.3Å; T204-E267 PolarHBondContact OG1-O 2.99Å; T204-E267 PolarHBondContact OG1-OE2 3.08Å; A263-E267 WeakPolarHBondContact O-CB 3.32Å; A263-E267 WeakPolarHBondContact O-CG 2.93Å; A263-E267 PolarHBondContact O-N 3.29Å; E267-G270 PolarHBondContact O-N 3.09Å; E267-A271 PolarHBondContact O-N 3.48Å |
| 268 | G | 94.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65 | -41.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | M246 V264 F265 V266 G270 A271 L272 | M246-G268 VanDerWaalsContact CE-C 3.46Å; M246-G268 VanDerWaalsContact SD-C 3.59Å; M246-G268 VanDerWaalsContact SD-CA 3.51Å; V264-G268 PolarHBondContact O-N 3Å; F265-G268 PolarHBondContact O-N 3.27Å; V266-G268 VanDerWaalsContact C-N 3.29Å; V266-G268 PolarHBondContact O-N 2.92Å; G268-G270 VanDerWaalsContact C-N 3.31Å; G268-G270 PolarHBondContact O-N 2.72Å; G268-A271 PolarHBondContact O-N 3.03Å; G268-L272 WeakPolarHBondContact O-CG 3.49Å; G268-L272 PolarHBondContact O-N 3.43Å |
| 269 | C | 95.8 | Very high | 92.3 | Very high | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.014 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60.8 | -42.1 | 173 | -67.9 | 0 | 0 | 0 | 0 | 111.3 | F265 V266 L272 Y273 | F265-C269 WeakPolarHBondContact CE1-SG 3.34Å; F265-C269 PolarHBondContact O-N 3.38Å; F265-C269 PolarHBondContact O-SG 3.26Å; V266-C269 WeakPolarHBondContact O-CB 3.44Å; V266-C269 PolarHBondContact O-N 3.46Å; C269-L272 PolarHBondContact O-N 2.69Å; C269-Y273 WeakPolarHBondContact O-CB 3.38Å; C269-Y273 PolarHBondContact O-N 2.61Å |
| 270 | G | 94.7 | Very high | 92 | Very high | 15 Ų | 15 | 25.6 Ų | 25.6 | 16% | 0.155 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.7 | -43.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | V266 E267 G268 Y273 W274 | V266-G270 PolarHBondContact O-N 2.93Å; E267-G270 PolarHBondContact O-N 3.09Å; G268-G270 VanDerWaalsContact C-N 3.31Å; G268-G270 PolarHBondContact O-N 2.72Å; G270-Y273 WeakPolarHBondContact O-CB 3.29Å; G270-Y273 PolarHBondContact O-N 2.87Å; G270-W274 PolarHBondContact O-N 3.3Å; G270-W274 VanDerWaalsContact O-N 3.17Å |
| 271 | A | 93.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63.5 | -46.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | F203 F207 L242 E267 G268 Y273 W274 I275 | F203-A271 HydrophobicContact CD1-CB 3.59Å; F203-A271 HydrophobicContact CE1-CB 3.6Å; F207-A271 HydrophobicContact CD2-CB 3.91Å; F207-A271 HydrophobicContact CE2-CB 4.34Å; F207-A271 HydrophobicContact CG-CB 4.04Å; L242-A271 HydrophobicContact CD2-CB 4.16Å; E267-A271 PolarHBondContact O-N 3.48Å; G268-A271 PolarHBondContact O-N 3.03Å; A271-Y273 VanDerWaalsContact C-N 3.3Å; A271-Y273 PolarHBondContact O-N 3.45Å; A271-W274 PolarHBondContact O-N 3.44Å; A271-I275 WeakPolarHBondContact O-CG1 3.38Å; A271-I275 PolarHBondContact O-N 3.44Å |
| 272 | L | 95.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -59.6 | -40.8 | 175.8 | -71.8 | 179.1 | 0 | 0 | 0 | 112.3 | I239 L242 M246 G268 C269 W274 I275 I276 I313 F320 L353 | I239-L272 HydrophobicContact CD1-CD2 3.88Å; I239-L272 HydrophobicContact CG2-CD2 4.25Å; L242-L272 HydrophobicContact CD2-CD1 4.47Å; L242-L272 HydrophobicContact CD2-CD2 3.45Å; L242-L272 VanDerWaalsContact CD2-CD2 3.45Å; L242-L272 HydrophobicContact CD2-CG 3.57Å; M246-L272 HydrophobicContact CE-CD1 4.27Å; M246-L272 HydrophobicContact SD-CD1 4.08Å; G268-L272 WeakPolarHBondContact O-CG 3.49Å; G268-L272 PolarHBondContact O-N 3.43Å; C269-L272 PolarHBondContact O-N 2.69Å; L272-W274 VanDerWaalsContact C-N 3.33Å; L272-W274 PolarHBondContact O-N 2.89Å; L272-I275 HydrophobicContact CD2-CD1 4.36Å; L272-I275 PolarHBondContact O-N 3.21Å; L272-I276 WeakPolarHBondContact O-CG1 3.5Å; L272-I276 PolarHBondContact O-N 2.92Å; L272-I313 HydrophobicContact CD2-CD1 4.03Å; L272-I313 HydrophobicContact CD2-CG1 3.95Å; L272-F320 HydrophobicContact CD1-CE2 4.12Å; L272-F320 HydrophobicContact CD1-CZ 3.57Å; L272-L353 HydrophobicContact CB-CD1 3.61Å; L272-L353 HydrophobicContact CB-CD2 4.37Å; L272-L353 HydrophobicContact CD1-CD2 3.96Å |
| 273 | Y | 95 | Very high | 90.7 | Very high | 51 Ų | 51 | 18.2 Ų | 18.2 | 20% | 0.2 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -55.7 | -47 | 175 | 171.8 | -88.6 | 0 | 0 | 0 | 111.9 | C269 G270 A271 I276 K277 Q356 | C269-Y273 WeakPolarHBondContact O-CB 3.38Å; C269-Y273 PolarHBondContact O-N 2.61Å; G270-Y273 WeakPolarHBondContact O-CB 3.29Å; G270-Y273 PolarHBondContact O-N 2.87Å; A271-Y273 VanDerWaalsContact C-N 3.3Å; A271-Y273 PolarHBondContact O-N 3.45Å; Y273-I276 PolarHBondContact O-N 3.49Å; Y273-K277 HydrophobicContact CE1-CD 3.82Å; Y273-K277 VanDerWaalsContact CZ-CE 3.45Å; Y273-K277 PolarHBondContact O-N 2.95Å; Y273-K277 VanDerWaalsContact O-N 3.16Å; Y273-K277 WeakPolarHBondContact OH-CE 3.3Å; Y273-K277 PolarHBondContact OH-NZ 2.93Å; Y273-Q356 HydrophobicContact CD2-CB 3.49Å; Y273-Q356 VanDerWaalsContact CD2-CB 3.49Å; Y273-Q356 HydrophobicContact CD2-CG 3.58Å; Y273-Q356 HydrophobicContact CE2-CB 3.64Å; Y273-Q356 HydrophobicContact CE2-CG 3.67Å; Y273-Q356 HydrophobicContact CG-CG 4.33Å; Y273-Q356 PolarHBondContact OH-OE1 3.46Å |
| 274 | W | 94.2 | Very high | 90.1 | Very high | 15 Ų | 15 | 18.6 Ų | 18.6 | 6% | 0.057 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -71.2 | -33.7 | 177.9 | -72.8 | 117.4 | 0 | 0 | 0 | 112.9 | F207 E208 Y211 G270 A271 L272 K277 M278 | F207-W274 HydrophobicContact CB-CB 3.75Å; F207-W274 HydrophobicContact CB-CG 4.24Å; E208-W274 HydrophobicContact CB-CD2 3.95Å; E208-W274 VanDerWaalsContact CB-CE2 3.45Å; E208-W274 HydrophobicContact CB-CG 4.36Å; E208-W274 HydrophobicContact CB-CH2 4.27Å; E208-W274 HydrophobicContact CB-CZ2 3.65Å; E208-W274 HydrophobicContact CG-CD2 4.4Å; E208-W274 HydrophobicContact CG-CH2 3.67Å; E208-W274 HydrophobicContact CG-CZ2 3.38Å; E208-W274 HydrophobicContact CG-CZ3 4.28Å; Y211-W274 AromaticContact CD1-CE3 3.65Å; Y211-W274 HydrophobicContact CD1-CE3 3.65Å; Y211-W274 AromaticContact CD1-CZ3 3.44Å; Y211-W274 HydrophobicContact CD1-CZ3 3.44Å; Y211-W274 VanDerWaalsContact CD1-CZ3 3.44Å; Y211-W274 HydrophobicContact CE1-CE3 4.36Å; Y211-W274 AromaticContact CE1-CZ3 3.88Å; Y211-W274 HydrophobicContact CE1-CZ3 3.88Å; Y211-W274 AromaticContact CG-CE3 3.92Å; Y211-W274 HydrophobicContact CG-CE3 3.92Å; Y211-W274 HydrophobicContact CG-CZ3 4.2Å; G270-W274 PolarHBondContact O-N 3.3Å; G270-W274 VanDerWaalsContact O-N 3.17Å; A271-W274 PolarHBondContact O-N 3.44Å; L272-W274 VanDerWaalsContact C-N 3.33Å; L272-W274 PolarHBondContact O-N 2.89Å; W274-K277 HydrophobicContact CE3-CB 4.39Å; W274-K277 HydrophobicContact CE3-CD 3.73Å; W274-K277 HydrophobicContact CZ3-CD 3.65Å; W274-K277 WeakPolarHBondContact O-CB 3.27Å; W274-K277 PolarHBondContact O-N 3.32Å; W274-M278 WeakPolarHBondContact O-CG 3.34Å; W274-M278 PolarHBondContact O-N 3.16Å |
| 275 | I | 92.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -61 | -44.9 | 172 | -68.9 | 166.8 | 0 | 0 | 0 | 110.5 | F207 I233 L234 F238 I239 A271 L272 K277 M278 V279 I313 | F207-I275 HydrophobicContact CD1-CD1 4.14Å; F207-I275 HydrophobicContact CD1-CG1 3.65Å; F207-I275 HydrophobicContact CE1-CD1 3.63Å; F207-I275 HydrophobicContact CE1-CG1 3.52Å; F207-I275 HydrophobicContact CZ-CD1 4.38Å; I233-I275 HydrophobicContact CG2-CD1 4.38Å; I233-I275 HydrophobicContact CG2-CG1 4.14Å; L234-I275 HydrophobicContact CD2-CG2 3.86Å; F238-I275 HydrophobicContact CD1-CD1 4.34Å; F238-I275 HydrophobicContact CE1-CD1 4.04Å; I239-I275 HydrophobicContact CD1-CD1 3.84Å; I239-I275 HydrophobicContact CD1-CG2 4.05Å; A271-I275 WeakPolarHBondContact O-CG1 3.38Å; A271-I275 PolarHBondContact O-N 3.44Å; L272-I275 HydrophobicContact CD2-CD1 4.36Å; L272-I275 PolarHBondContact O-N 3.21Å; I275-K277 VanDerWaalsContact C-N 3.29Å; I275-K277 PolarHBondContact O-N 3.24Å; I275-M278 WeakPolarHBondContact O-CB 3.41Å; I275-M278 PolarHBondContact O-N 3.25Å; I275-M278 VanDerWaalsContact O-N 3.11Å; I275-V279 HydrophobicContact CG2-CG2 4.44Å; I275-V279 WeakPolarHBondContact O-CG2 3.45Å; I275-V279 PolarHBondContact O-N 3.49Å; I275-I313 HydrophobicContact CG2-CD1 4.41Å |
| 276 | I | 92.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -58.2 | -44.6 | 175.5 | -65.2 | 159.4 | 0 | 0 | 0 | 110.3 | L272 Y273 M278 V279 V280 L310 I313 L353 Q356 L357 | L272-I276 WeakPolarHBondContact O-CG1 3.5Å; L272-I276 PolarHBondContact O-N 2.92Å; Y273-I276 PolarHBondContact O-N 3.49Å; I276-M278 VanDerWaalsContact C-N 3.33Å; I276-M278 PolarHBondContact O-N 3.4Å; I276-V279 PolarHBondContact O-N 3.39Å; I276-V280 HydrophobicContact CG2-CG2 4.28Å; I276-V280 WeakPolarHBondContact O-CG2 3.48Å; I276-V280 PolarHBondContact O-N 3.21Å; I276-L310 HydrophobicContact CB-CD2 4.34Å; I276-L310 HydrophobicContact CG1-CD2 4.04Å; I276-L310 HydrophobicContact CG2-CD2 3.91Å; I276-I313 HydrophobicContact CD1-CD1 4.26Å; I276-I313 HydrophobicContact CG1-CD1 3.67Å; I276-L353 HydrophobicContact CD1-CD1 3.51Å; I276-Q356 HydrophobicContact CB-CG 3.94Å; I276-Q356 HydrophobicContact CD1-CB 4.4Å; I276-Q356 HydrophobicContact CD1-CG 4.21Å; I276-Q356 HydrophobicContact CG2-CG 3.71Å; I276-L357 HydrophobicContact CD1-CD2 3.59Å; I276-L357 HydrophobicContact CD1-CG 3.65Å; I276-L357 HydrophobicContact CG1-CD2 4.08Å |
| 277 | K | 90.6 | Very high | 87.6 | Confident | 39 Ų | 39 | 22.7 Ų | 22.7 | 17% | 0.17 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -61.3 | -38.6 | 175.9 | -77.5 | -169.3 | 165.6 | -178.3 | 0 | 113.2 | Y211 Y273 W274 I275 A281 | Y211-K277 HydrophobicContact CD2-CB 4.01Å; Y211-K277 HydrophobicContact CE2-CB 3.8Å; Y211-K277 WeakPolarHBondContact CE2-O 3.4Å; Y273-K277 HydrophobicContact CE1-CD 3.82Å; Y273-K277 VanDerWaalsContact CZ-CE 3.45Å; Y273-K277 PolarHBondContact O-N 2.95Å; Y273-K277 VanDerWaalsContact O-N 3.16Å; Y273-K277 WeakPolarHBondContact OH-CE 3.3Å; Y273-K277 PolarHBondContact OH-NZ 2.93Å; W274-K277 HydrophobicContact CE3-CB 4.39Å; W274-K277 HydrophobicContact CE3-CD 3.73Å; W274-K277 HydrophobicContact CZ3-CD 3.65Å; W274-K277 WeakPolarHBondContact O-CB 3.27Å; W274-K277 PolarHBondContact O-N 3.32Å; I275-K277 VanDerWaalsContact C-N 3.29Å; I275-K277 PolarHBondContact O-N 3.24Å; K277-A281 WeakPolarHBondContact O-CB 3.35Å; K277-A281 PolarHBondContact O-N 3.33Å |
| 278 | M | 88 | Confident | 86.6 | Confident | 4 Ų | 4 | 22.3 Ų | 22.3 | 2% | 0.02 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.5 | -48.4 | 173.3 | -70.1 | 173.2 | 171.9 | 0 | 0 | 111 | F207 M210 Y211 W214 L234 W274 I275 I276 V280 A281 L282 | F207-M278 HydrophobicContact CD1-CE 4.5Å; F207-M278 WeakPolarHBondContact O-CE 3.28Å; M210-M278 HydrophobicContact CB-CE 3.4Å; M210-M278 VanDerWaalsContact CB-CE 3.4Å; Y211-M278 HydrophobicContact CD2-CB 4.44Å; Y211-M278 HydrophobicContact CD2-CG 3.79Å; Y211-M278 HydrophobicContact CG-CG 4.35Å; W214-M278 HydrophobicContact CE3-CB 4.33Å; W214-M278 HydrophobicContact CE3-CG 4.28Å; W214-M278 HydrophobicContact CZ3-CB 3.85Å; W214-M278 HydrophobicContact CZ3-CG 4.3Å; W214-M278 VanDerWaalsContact CZ3-O 3.27Å; W214-M278 WeakPolarHBondContact CZ3-O 3.46Å; L234-M278 HydrophobicContact CD2-CB 4.22Å; W274-M278 WeakPolarHBondContact O-CG 3.34Å; W274-M278 PolarHBondContact O-N 3.16Å; I275-M278 WeakPolarHBondContact O-CB 3.41Å; I275-M278 PolarHBondContact O-N 3.25Å; I275-M278 VanDerWaalsContact O-N 3.11Å; I276-M278 VanDerWaalsContact C-N 3.33Å; I276-M278 PolarHBondContact O-N 3.4Å; M278-V280 PolarHBondContact O-N 2.91Å; M278-A281 PolarHBondContact O-N 3.36Å; M278-L282 WeakPolarHBondContact O-CB 3.38Å; M278-L282 PolarHBondContact O-N 3.5Å |
| 279 | V | 87.1 | Confident | 85.5 | Confident | 3 Ų | 3 | 24.6 Ų | 24.6 | 2% | 0.018 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.8 | -45.3 | 179.5 | -179.9 | 0 | 0 | 0 | 0 | 111.3 | L234 I275 I276 L282 R283 D306 A309 L310 | L234-V279 HydrophobicContact CD1-CG2 4.36Å; L234-V279 HydrophobicContact CD2-CG2 3.65Å; L234-V279 HydrophobicContact CG-CG2 4.47Å; I275-V279 HydrophobicContact CG2-CG2 4.44Å; I275-V279 WeakPolarHBondContact O-CG2 3.45Å; I275-V279 PolarHBondContact O-N 3.49Å; I276-V279 PolarHBondContact O-N 3.39Å; V279-L282 WeakPolarHBondContact O-CB 3.28Å; V279-L282 PolarHBondContact O-N 3.24Å; V279-R283 WeakPolarHBondContact O-CB 3.4Å; V279-R283 PolarHBondContact O-N 3.11Å; V279-D306 VanDerWaalsContact CG1-O 3.32Å; V279-D306 WeakPolarHBondContact CG1-O 3.45Å; V279-A309 HydrophobicContact CG2-CB 3.56Å; V279-L310 HydrophobicContact CB-CG 4.41Å; V279-L310 HydrophobicContact CG1-CD1 3.88Å; V279-L310 HydrophobicContact CG1-CD2 4.49Å; V279-L310 HydrophobicContact CG1-CG 3.89Å |
| 280 | V | 85.5 | Confident | 84 | Confident | 22 Ų | 22 | 29 Ų | 29 | 13% | 0.133 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62 | -47.8 | 178.1 | 172.6 | 0 | 0 | 0 | 0 | 110.8 | I276 M278 L282 R283 D284 | I276-V280 HydrophobicContact CG2-CG2 4.28Å; I276-V280 WeakPolarHBondContact O-CG2 3.48Å; I276-V280 PolarHBondContact O-N 3.21Å; M278-V280 PolarHBondContact O-N 2.91Å; V280-L282 VanDerWaalsContact C-N 3.29Å; V280-L282 PolarHBondContact O-N 3Å; V280-R283 WeakPolarHBondContact O-CB 3.37Å; V280-R283 PolarHBondContact O-N 2.94Å; V280-D284 WeakPolarHBondContact CG1-OD2 3.5Å; V280-D284 WeakPolarHBondContact O-CB 3.48Å; V280-D284 PolarHBondContact O-N 3.31Å |
| 281 | A | 84.1 | Confident | 82.7 | Confident | 17 Ų | 17 | 32.3 Ų | 32.3 | 14% | 0.14 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.3 | -38.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y211 K277 M278 F285 | Y211-A281 HydrophobicContact CE2-CB 3.92Å; K277-A281 WeakPolarHBondContact O-CB 3.35Å; K277-A281 PolarHBondContact O-N 3.33Å; M278-A281 PolarHBondContact O-N 3.36Å; A281-F285 WeakPolarHBondContact O-CB 3.37Å; A281-F285 PolarHBondContact O-N 2.86Å |
| 282 | L | 80.9 | Confident | 81.3 | Confident | 4 Ų | 4 | 39.8 Ų | 39.8 | 2% | 0.021 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.3 | -48.9 | 175 | -167.5 | 48.1 | 0 | 0 | 0 | 111.9 | W214 L224 L234 M278 V279 V280 F285 R286 D306 | W214-L282 HydrophobicContact CH2-CB 3.71Å; W214-L282 HydrophobicContact CH2-CD1 3.82Å; W214-L282 HydrophobicContact CH2-CD2 4.1Å; W214-L282 HydrophobicContact CH2-CG 4.06Å; W214-L282 HydrophobicContact CZ2-CD1 3.83Å; W214-L282 HydrophobicContact CZ2-CD2 4.44Å; W214-L282 HydrophobicContact CZ2-CG 4.49Å; W214-L282 HydrophobicContact CZ3-CB 4.45Å; L224-L282 HydrophobicContact CD1-CD1 4.25Å; L224-L282 HydrophobicContact CD2-CD1 3.66Å; L234-L282 HydrophobicContact CD1-CD2 3.95Å; M278-L282 WeakPolarHBondContact O-CB 3.38Å; M278-L282 PolarHBondContact O-N 3.5Å; V279-L282 WeakPolarHBondContact O-CB 3.28Å; V279-L282 PolarHBondContact O-N 3.24Å; V280-L282 VanDerWaalsContact C-N 3.29Å; V280-L282 PolarHBondContact O-N 3Å; L282-F285 PolarHBondContact O-N 3.25Å; L282-R286 WeakPolarHBondContact O-CB 3.32Å; L282-R286 VanDerWaalsContact O-CG 3.29Å; L282-R286 WeakPolarHBondContact O-CG 3.48Å; L282-R286 PolarHBondContact O-N 2.89Å; L282-D306 WeakPolarHBondContact CD2-OD1 3.45Å |
| 283 | R | 78.7 | Confident | 79.7 | Confident | 40 Ų | 40 | 43.5 Ų | 43.5 | 15% | 0.151 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.4 | -50.8 | -179.2 | -178.2 | -167.6 | 65.9 | -179.8 | 4.6 | 109.8 | V279 V280 F285 R286 M287 S360 E406 | V279-R283 WeakPolarHBondContact O-CB 3.4Å; V279-R283 PolarHBondContact O-N 3.11Å; V280-R283 WeakPolarHBondContact O-CB 3.37Å; V280-R283 PolarHBondContact O-N 2.94Å; R283-F285 VanDerWaalsContact C-N 3.34Å; R283-F285 PolarHBondContact O-N 2.9Å; R283-R286 PolarHBondContact O-N 3.29Å; R283-M287 HydrophobicContact CG-CE 4.12Å; R283-M287 HydrophobicContact CG-SD 4.47Å; R283-M287 WeakPolarHBondContact O-CG 3.22Å; R283-M287 PolarHBondContact O-N 3.35Å; R283-S360 PolarHBondContact NH1-O 2.85Å; R283-E406 IonicContact CZ-OE1 2.63Å; R283-E406 IonicContact NH1-OE1 2.72Å; R283-E406 IonicContact NH2-OE1 3.81Å; R283-E406 PolarHBondContact NH2-OE1 3.11Å |
| 284 | D | 77.9 | Confident | 77.7 | Confident | 72 Ų | 72 | 45 Ų | 45 | 39% | 0.385 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63.5 | -41.4 | -178.3 | -63.2 | -5.8 | 0 | 0 | 0 | 111.3 | V280 R286 M287 G288 | V280-D284 WeakPolarHBondContact CG1-OD2 3.5Å; V280-D284 WeakPolarHBondContact O-CB 3.48Å; V280-D284 PolarHBondContact O-N 3.31Å; D284-R286 PolarHBondContact O-N 2.85Å; D284-M287 PolarHBondContact O-N 3.43Å; D284-M287 WeakPolarHBondContact OD1-CE 3.47Å; D284-G288 PolarHBondContact O-N 2.83Å |
| 285 | F | 78.5 | Confident | 75.6 | Confident | 40 Ų | 40 | 47.8 Ų | 47.8 | 18% | 0.175 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.6 | -43.4 | 174.6 | -179.5 | -105.9 | 0 | 0 | 0 | 112.5 | L218 N221 L224 A281 L282 R283 G288 K289 | L218-F285 HydrophobicContact CB-CD2 4.17Å; L218-F285 HydrophobicContact CB-CE2 4.22Å; L218-F285 HydrophobicContact CB-CG 4.3Å; L218-F285 HydrophobicContact CB-CZ 4.33Å; L218-F285 HydrophobicContact CD2-CD1 3.9Å; L218-F285 HydrophobicContact CD2-CE1 3.83Å; L218-F285 HydrophobicContact CD2-CG 4.43Å; L218-F285 HydrophobicContact CD2-CZ 4.33Å; L218-F285 WeakPolarHBondContact O-CE2 3.33Å; L218-F285 VanDerWaalsContact O-CZ 3.22Å; L218-F285 WeakPolarHBondContact O-CZ 3.48Å; N221-F285 WeakPolarHBondContact O-CZ 3.47Å; L224-F285 HydrophobicContact CB-CE1 4.47Å; L224-F285 HydrophobicContact CD1-CD1 3.4Å; L224-F285 HydrophobicContact CD1-CE1 3.49Å; L224-F285 VanDerWaalsContact CD1-CE1 3.49Å; L224-F285 HydrophobicContact CG-CD1 3.99Å; L224-F285 HydrophobicContact CG-CE1 3.67Å; A281-F285 WeakPolarHBondContact O-CB 3.37Å; A281-F285 PolarHBondContact O-N 2.86Å; L282-F285 PolarHBondContact O-N 3.25Å; R283-F285 VanDerWaalsContact C-N 3.34Å; R283-F285 PolarHBondContact O-N 2.9Å; F285-G288 PolarHBondContact O-N 3.37Å; F285-K289 HydrophobicContact CD1-CD 4.5Å; F285-K289 HydrophobicContact CE1-CD 3.88Å; F285-K289 VanDerWaalsContact CE1-CE 3.47Å; F285-K289 HydrophobicContact CZ-CD 4.02Å; F285-K289 PolarHBondContact O-N 2.88Å |
| 286 | R | 74.7 | Confident | 73.2 | Confident | 30 Ų | 30 | 55.6 Ų | 55.6 | 11% | 0.113 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -65.6 | -39.5 | 175.2 | -74.1 | 174.2 | 177.4 | -175.8 | 3.8 | 112 | L224 L282 R283 D284 R290 D306 | L224-R286 HydrophobicContact CD1-CG 3.43Å; L224-R286 VanDerWaalsContact CD1-CG 3.43Å; L282-R286 WeakPolarHBondContact O-CB 3.32Å; L282-R286 VanDerWaalsContact O-CG 3.29Å; L282-R286 WeakPolarHBondContact O-CG 3.48Å; L282-R286 PolarHBondContact O-N 2.89Å; R283-R286 PolarHBondContact O-N 3.29Å; D284-R286 PolarHBondContact O-N 2.85Å; R286-R290 VanDerWaalsContact O-CG 3.28Å; R286-R290 WeakPolarHBondContact O-CG 3.48Å; R286-R290 PolarHBondContact O-N 3.48Å; R286-D306 WeakPolarHBondContact CD-OD2 3.44Å; R286-D306 IonicContact CZ-OD1 3.33Å; R286-D306 IonicContact CZ-OD2 2.61Å; R286-D306 IonicContact NE-OD2 3.67Å; R286-D306 IonicContact NH1-OD1 3.64Å; R286-D306 PolarHBondContact NH1-OD1 2.91Å; R286-D306 IonicContact NH1-OD2 2.75Å; R286-D306 PolarHBondContact NH1-OD2 2.75Å; R286-D306 IonicContact NH2-OD1 2.72Å |
| 287 | M | 73.3 | Confident | 71 | Confident | 77 Ų | 77 | 57.6 Ų | 57.6 | 38% | 0.379 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -64 | -46.1 | 175.1 | -70.9 | -166.2 | -61.2 | 0 | 0 | 111.3 | R283 D284 K289 R290 A291 | R283-M287 HydrophobicContact CG-CE 4.12Å; R283-M287 HydrophobicContact CG-SD 4.47Å; R283-M287 WeakPolarHBondContact O-CG 3.22Å; R283-M287 PolarHBondContact O-N 3.35Å; D284-M287 PolarHBondContact O-N 3.43Å; D284-M287 WeakPolarHBondContact OD1-CE 3.47Å; M287-K289 PolarHBondContact O-N 3.44Å; M287-R290 PolarHBondContact O-N 3.43Å; M287-A291 PolarHBondContact O-N 3.17Å |
| 288 | G | 72.4 | Confident | 68.7 | Low | 37 Ų | 37 | 62.1 Ų | 62.1 | 38% | 0.381 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -59.3 | -44.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | D284 F285 R290 A291 L292 | D284-G288 PolarHBondContact O-N 2.83Å; F285-G288 PolarHBondContact O-N 3.37Å; G288-R290 VanDerWaalsContact C-N 3.35Å; G288-R290 PolarHBondContact O-N 3.43Å; G288-A291 PolarHBondContact O-N 2.85Å; G288-L292 WeakPolarHBondContact O-CG 3.38Å; G288-L292 PolarHBondContact O-N 3.41Å; G288-L292 VanDerWaalsContact O-N 3.14Å |
| 289 | K | 70.4 | Confident | 66.5 | Low | 48 Ų | 48 | 69.1 Ų | 69.1 | 21% | 0.209 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -62.8 | -38.1 | 174.6 | -82.1 | -168.7 | 176.7 | 167.5 | 0 | 113.3 | N221 D222 F285 M287 L292 S293 | N221-K289 PolarHBondContact O-NZ 3.49Å; D222-K289 WeakPolarHBondContact O-CE 3.44Å; D222-K289 PolarHBondContact O-NZ 3.14Å; F285-K289 HydrophobicContact CD1-CD 4.5Å; F285-K289 HydrophobicContact CE1-CD 3.88Å; F285-K289 VanDerWaalsContact CE1-CE 3.47Å; F285-K289 HydrophobicContact CZ-CD 4.02Å; F285-K289 PolarHBondContact O-N 2.88Å; M287-K289 PolarHBondContact O-N 3.44Å; K289-L292 PolarHBondContact O-N 3.04Å; K289-S293 WeakPolarHBondContact O-CB 3.33Å; K289-S293 PolarHBondContact O-N 3.2Å; K289-S293 PolarHBondContact O-OG 3.08Å |
| 290 | R | 64.7 | Low | 64.4 | Low | 94 Ų | 94 | 70.9 Ų | 70.9 | 36% | 0.355 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -66.8 | -39.3 | 176 | -73.8 | 173.3 | -170.2 | 174.2 | 4.7 | 112.5 | R286 M287 G288 L292 S293 N294 | R286-R290 VanDerWaalsContact O-CG 3.28Å; R286-R290 WeakPolarHBondContact O-CG 3.48Å; R286-R290 PolarHBondContact O-N 3.48Å; M287-R290 PolarHBondContact O-N 3.43Å; G288-R290 VanDerWaalsContact C-N 3.35Å; G288-R290 PolarHBondContact O-N 3.43Å; R290-L292 PolarHBondContact O-N 3.2Å; R290-S293 PolarHBondContact O-N 3.2Å; R290-S293 PolarHBondContact O-OG 3.27Å; R290-N294 PolarHBondContact O-N 3.46Å |
| 291 | A | 67.4 | Low | 62.3 | Low | 85 Ų | 85 | 76.5 Ų | 76.5 | 70% | 0.702 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -60.4 | -35.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | M287 G288 | M287-A291 PolarHBondContact O-N 3.17Å; G288-A291 PolarHBondContact O-N 2.85Å |
| 292 | L | 64.9 | Low | 60.4 | Low | 157 Ų | 157 | 81.8 Ų | 81.8 | 82% | 0.822 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -76.6 | -33.6 | 174.1 | -65.8 | 169.6 | 0 | 0 | 0 | 113.6 | G288 K289 R290 | G288-L292 WeakPolarHBondContact O-CG 3.38Å; G288-L292 PolarHBondContact O-N 3.41Å; G288-L292 VanDerWaalsContact O-N 3.14Å; K289-L292 PolarHBondContact O-N 3.04Å; R290-L292 PolarHBondContact O-N 3.2Å |
| 293 | S | 61.9 | Low | 58.8 | Low | 79 Ų | 79 | 83.8 Ų | 83.8 | 55% | 0.552 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -87.8 | -31.6 | -173.6 | 78.6 | 0 | 0 | 0 | 0 | 114.5 | K289 R290 | K289-S293 WeakPolarHBondContact O-CB 3.33Å; K289-S293 PolarHBondContact O-N 3.2Å; K289-S293 PolarHBondContact O-OG 3.08Å; R290-S293 PolarHBondContact O-N 3.2Å; R290-S293 PolarHBondContact O-OG 3.27Å |
| 294 | N | 52.5 | Low | 57.1 | Low | 83 Ų | 83 | 89.3 Ų | 89.3 | 44% | 0.444 | 53% | 0.528 | S | S | . | . | trans | -117.9 | 93.6 | -165.8 | -73.7 | 3.8 | 0 | 0 | 0 | 113.1 | R290 N296 G297 | R290-N294 PolarHBondContact O-N 3.46Å; N294-N296 VanDerWaalsContact C-N 3.29Å; N294-G297 PolarHBondContact ND2-O 3.04Å | ||
| 295 | G | 48.9 | Very low | 55.7 | Low | 73 Ų | 73 | 91 Ų | 91 | 75% | 0.753 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -80.4 | -0.2 | 144.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 296 | N | 43.7 | Very low | 54.7 | Low | 164 Ų | 164 | 89.9 Ų | 89.9 | 88% | 0.877 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -175 | 108.8 | 175.1 | -86.1 | -42 | 0 | 0 | 0 | 111.7 | N294 | N294-N296 VanDerWaalsContact C-N 3.29Š|
| 297 | G | 45.2 | Very low | 53.9 | Low | 42 Ų | 42 | 90.1 Ų | 90.1 | 43% | 0.433 | 54% | 0.539 | S | S | . | . | trans | 165.9 | 138.7 | 167 | 0 | 0 | 0 | 0 | 0 | 114.9 | N294 | N294-G297 PolarHBondContact ND2-O 3.04Š| ||
| 298 | P | 42.4 | Very low | 54.1 | Low | 133 Ų | 133 | 91.6 Ų | 91.6 | 86% | 0.864 | 55% | 0.545 | S | S | * | . | trans | -76.1 | 148.2 | -150.3 | 28.5 | -33.8 | 0 | 0 | 0 | 117.3 | G300 | P298-G300 PolarHBondContact O-N 3.18Š| ||
| 299 | T | 42 | Very low | 54.8 | Low | 151 Ų | 151 | 90 Ų | 90 | 93% | 0.926 | 53% | 0.527 | S | S | * | . | trans | -80.9 | 32.2 | -165.7 | 42.4 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 300 | G | 42.6 | Very low | 55.6 | Low | 40 Ų | 40 | 88.1 Ų | 88.1 | 41% | 0.412 | 52% | 0.52 | S | S | . | . | trans | -92 | -80 | -163.9 | 0 | 0 | 0 | 0 | 0 | 117 | P298 Y304 | P298-G300 PolarHBondContact O-N 3.18Å; G300-Y304 WeakPolarHBondContact O-CE2 3.35Å | ||
| 301 | D | 41.4 | Very low | 56.7 | Low | 141 Ų | 141 | 83.9 Ų | 83.9 | 75% | 0.754 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -113.3 | -13.7 | -142.1 | -69.6 | -36.2 | 0 | 0 | 0 | 116.7 | ||
| 302 | I | 43.9 | Very low | 57.9 | Low | 127 Ų | 127 | 80.3 Ų | 80.3 | 65% | 0.651 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -98.1 | -8.4 | -166.8 | -54.6 | 175.1 | 0 | 0 | 0 | 113.4 | Y304 | I302-Y304 VanDerWaalsContact C-N 3.27Å; I302-Y304 PolarHBondContact O-N 2.94Å |
| 303 | V | 46.7 | Very low | 59.2 | Low | 47 Ų | 47 | 73 Ų | 73 | 29% | 0.285 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -71.5 | -25.2 | 172.9 | -176.5 | 0 | 0 | 0 | 0 | 112 | N305 D306 | V303-N305 VanDerWaalsContact C-N 3.32Å; V303-N305 PolarHBondContact O-N 3.23Å; V303-D306 PolarHBondContact O-N 2.8Å |
| 304 | Y | 43.9 | Very low | 60.7 | Low | 155 Ų | 155 | 70 Ų | 70 | 61% | 0.608 | 42% | 0.416 | S | S | * | . | G | 310 helix | trans | -68.4 | -24 | -164.4 | -79.7 | -80.3 | 0 | 0 | 0 | 115 | G300 I302 C307 | G300-Y304 WeakPolarHBondContact O-CE2 3.35Å; I302-Y304 VanDerWaalsContact C-N 3.27Å; I302-Y304 PolarHBondContact O-N 2.94Å; Y304-C307 WeakPolarHBondContact O-CB 3.19Å |
| 305 | N | 48.9 | Very low | 62.5 | Low | 108 Ų | 108 | 73.9 Ų | 73.9 | 58% | 0.578 | 43% | 0.431 | S | S | * | . | G | 310 helix | trans | -79.3 | -19.6 | -179.9 | -79.2 | -2.2 | 0 | 0 | 0 | 114 | V303 C307 | V303-N305 VanDerWaalsContact C-N 3.32Å; V303-N305 PolarHBondContact O-N 3.23Å; N305-C307 PolarHBondContact O-N 2.87Å |
| 306 | D | 56.2 | Low | 64.7 | Low | 17 Ų | 17 | 73.8 Ų | 73.8 | 9% | 0.091 | 41% | 0.41 | C | S | . | . | G | 310 helix | trans | -75.6 | -15.3 | 178.3 | -64.3 | -25.9 | 0 | 0 | 0 | 112 | V279 L282 R286 V303 | V279-D306 VanDerWaalsContact CG1-O 3.32Å; V279-D306 WeakPolarHBondContact CG1-O 3.45Å; L282-D306 WeakPolarHBondContact CD2-OD1 3.45Å; R286-D306 WeakPolarHBondContact CD-OD2 3.44Å; R286-D306 IonicContact CZ-OD1 3.33Å; R286-D306 IonicContact CZ-OD2 2.61Å; R286-D306 IonicContact NE-OD2 3.67Å; R286-D306 IonicContact NH1-OD1 3.64Å; R286-D306 PolarHBondContact NH1-OD1 2.91Å; R286-D306 IonicContact NH1-OD2 2.75Å; R286-D306 PolarHBondContact NH1-OD2 2.75Å; R286-D306 IonicContact NH2-OD1 2.72Å; V303-D306 PolarHBondContact O-N 2.8Å |
| 307 | C | 58.7 | Low | 67 | Low | 35 Ų | 35 | 66.2 Ų | 66.2 | 24% | 0.236 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -77 | -19.9 | -179.2 | -68 | 0 | 0 | 0 | 0 | 113.8 | Y304 N305 A309 L310 G311 E364 | Y304-C307 WeakPolarHBondContact O-CB 3.19Å; N305-C307 PolarHBondContact O-N 2.87Å; C307-A309 PolarHBondContact O-N 3.35Å; C307-L310 PolarHBondContact O-N 3.14Å; C307-G311 PolarHBondContact O-N 3.33Å; C307-E364 WeakPolarHBondContact CB-OE1 3.46Å |
| 308 | E | 77.3 | Confident | 69.4 | Low | 108 Ų | 108 | 65.6 Ų | 65.6 | 51% | 0.505 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63.8 | -41.4 | -173.1 | -68.7 | -167.7 | 173.3 | 0 | 0 | 112.7 | A312 | E308-A312 WeakPolarHBondContact O-CB 3.25Å; E308-A312 PolarHBondContact O-N 2.89Å |
| 309 | A | 86.7 | Confident | 71.9 | Confident | 2 Ų | 2 | 61.2 Ų | 61.2 | 2% | 0.017 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65.5 | -52.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L234 V279 C307 A312 I313 | L234-A309 HydrophobicContact CB-CB 4.41Å; L234-A309 WeakPolarHBondContact O-CB 3.28Å; V279-A309 HydrophobicContact CG2-CB 3.56Å; C307-A309 PolarHBondContact O-N 3.35Å; A309-A312 PolarHBondContact O-N 3.45Å; A309-I313 VanDerWaalsContact O-CG1 3.25Å; A309-I313 WeakPolarHBondContact O-CG1 3.48Å; A309-I313 PolarHBondContact O-N 3.32Å |
| 310 | L | 88.1 | Confident | 74.5 | Confident | 9 Ų | 9 | 54.1 Ų | 54.1 | 5% | 0.047 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.3 | -45.9 | -178.7 | -66.1 | 175.1 | 0 | 0 | 0 | 110.5 | I276 V279 C307 A312 I313 V314 L357 A362 | I276-L310 HydrophobicContact CB-CD2 4.34Å; I276-L310 HydrophobicContact CG1-CD2 4.04Å; I276-L310 HydrophobicContact CG2-CD2 3.91Å; V279-L310 HydrophobicContact CB-CG 4.41Å; V279-L310 HydrophobicContact CG1-CD1 3.88Å; V279-L310 HydrophobicContact CG1-CD2 4.49Å; V279-L310 HydrophobicContact CG1-CG 3.89Å; C307-L310 PolarHBondContact O-N 3.14Å; L310-A312 VanDerWaalsContact C-N 3.34Å; L310-A312 PolarHBondContact O-N 2.92Å; L310-I313 PolarHBondContact O-N 3.25Å; L310-V314 WeakPolarHBondContact O-CG2 3.42Å; L310-V314 PolarHBondContact O-N 3.18Å; L310-L357 HydrophobicContact CD2-CD2 4.43Å; L310-A362 HydrophobicContact CB-CB 4.08Å; L310-A362 HydrophobicContact CD1-CB 4.09Å; L310-A362 HydrophobicContact CG-CB 4.48Å |
| 311 | G | 88 | Confident | 77 | Confident | 6 Ų | 6 | 52.4 Ų | 52.4 | 6% | 0.062 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.1 | -42.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | C307 V314 Q315 | C307-G311 PolarHBondContact O-N 3.33Å; G311-V314 PolarHBondContact O-N 3.42Å; G311-Q315 WeakPolarHBondContact O-CB 3.41Å; G311-Q315 WeakPolarHBondContact O-CG 3.46Å; G311-Q315 PolarHBondContact O-N 3.27Å |
| 312 | A | 91.5 | Very high | 79.5 | Confident | 10 Ų | 10 | 48.4 Ų | 48.4 | 8% | 0.083 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.1 | -42.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | I239 E308 A309 L310 Q315 K316 | I239-A312 HydrophobicContact CB-CB 4.05Å; I239-A312 HydrophobicContact CG1-CB 4.22Å; I239-A312 HydrophobicContact CG2-CB 4.05Å; E308-A312 WeakPolarHBondContact O-CB 3.25Å; E308-A312 PolarHBondContact O-N 2.89Å; A309-A312 PolarHBondContact O-N 3.45Å; L310-A312 VanDerWaalsContact C-N 3.34Å; L310-A312 PolarHBondContact O-N 2.92Å; A312-Q315 PolarHBondContact O-N 2.9Å; A312-K316 VanDerWaalsContact O-CG 3.31Å; A312-K316 WeakPolarHBondContact O-CG 3.13Å; A312-K316 PolarHBondContact O-N 3.29Å; A312-K316 VanDerWaalsContact O-N 3.14Å |
| 313 | I | 93.3 | Very high | 82 | Confident | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.7 | -45.2 | 178 | -64.5 | 169.7 | 0 | 0 | 0 | 110.6 | I239 L272 I275 I276 A309 L310 Q315 K316 A317 L357 | I239-I313 HydrophobicContact CD1-CD1 4.3Å; I239-I313 HydrophobicContact CD1-CG1 4.16Å; I239-I313 HydrophobicContact CG1-CG1 4.37Å; I239-I313 HydrophobicContact CG2-CG1 3.83Å; L272-I313 HydrophobicContact CD2-CD1 4.03Å; L272-I313 HydrophobicContact CD2-CG1 3.95Å; I275-I313 HydrophobicContact CG2-CD1 4.41Å; I276-I313 HydrophobicContact CD1-CD1 4.26Å; I276-I313 HydrophobicContact CG1-CD1 3.67Å; A309-I313 VanDerWaalsContact O-CG1 3.25Å; A309-I313 WeakPolarHBondContact O-CG1 3.48Å; A309-I313 PolarHBondContact O-N 3.32Å; L310-I313 PolarHBondContact O-N 3.25Å; I313-Q315 PolarHBondContact O-N 3.43Å; I313-K316 CarbonylContact O-C 3.13Å; I313-K316 PolarHBondContact O-N 3.35Å; I313-K316 VanDerWaalsContact O-N 3.09Å; I313-A317 PolarHBondContact O-N 3.42Å; I313-L357 HydrophobicContact CB-CD2 4.43Å; I313-L357 HydrophobicContact CG2-CD1 3.96Å; I313-L357 HydrophobicContact CG2-CD2 3.93Å; I313-L357 HydrophobicContact CG2-CG 4.39Å |
| 314 | V | 91.9 | Very high | 84.2 | Confident | 16 Ų | 16 | 40.1 Ų | 40.1 | 10% | 0.097 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.8 | -42 | 177.6 | 174.3 | 0 | 0 | 0 | 0 | 111.1 | L310 G311 K316 A317 L357 E364 I365 F369 | L310-V314 WeakPolarHBondContact O-CG2 3.42Å; L310-V314 PolarHBondContact O-N 3.18Å; G311-V314 PolarHBondContact O-N 3.42Å; V314-K316 PolarHBondContact O-N 3.11Å; V314-A317 WeakPolarHBondContact O-CB 3.44Å; V314-A317 PolarHBondContact O-N 3.16Å; V314-L357 HydrophobicContact CG2-CD2 4.23Å; V314-E364 HydrophobicContact CB-CB 4.22Å; V314-E364 HydrophobicContact CG1-CB 4.29Å; V314-E364 WeakPolarHBondContact CG1-O 3.29Å; V314-E364 HydrophobicContact CG2-CB 4.33Å; V314-I365 HydrophobicContact CG2-CG1 4.07Å; V314-F369 HydrophobicContact CG1-CD2 3.95Å; V314-F369 HydrophobicContact CG1-CE2 4.3Å |
| 315 | Q | 91.9 | Very high | 86.6 | Confident | 165 Ų | 165 | 35.4 Ų | 35.4 | 77% | 0.771 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -62.5 | -24.3 | 174.9 | -74.3 | 173.3 | 9.6 | 0 | 0 | 113.2 | G311 A312 I313 | G311-Q315 WeakPolarHBondContact O-CB 3.41Å; G311-Q315 WeakPolarHBondContact O-CG 3.46Å; G311-Q315 PolarHBondContact O-N 3.27Å; A312-Q315 PolarHBondContact O-N 2.9Å; I313-Q315 PolarHBondContact O-N 3.43Å |
| 316 | K | 93.5 | Very high | 88.7 | Confident | 71 Ų | 71 | 34.9 Ų | 34.9 | 31% | 0.309 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96 | 11.7 | 174.6 | -59.9 | -61.9 | 177.4 | 170.5 | 0 | 113.6 | D240 C243 A312 I313 V314 G318 P319 F320 | D240-K316 WeakPolarHBondContact OD1-CE 3.38Å; D240-K316 IonicContact OD1-NZ 3.97Å; D240-K316 PolarHBondContact OD1-NZ 3.49Å; C243-K316 HydrophobicContact CB-CG 4.43Å; A312-K316 VanDerWaalsContact O-CG 3.31Å; A312-K316 WeakPolarHBondContact O-CG 3.13Å; A312-K316 PolarHBondContact O-N 3.29Å; A312-K316 VanDerWaalsContact O-N 3.14Å; I313-K316 CarbonylContact O-C 3.13Å; I313-K316 PolarHBondContact O-N 3.35Å; I313-K316 VanDerWaalsContact O-N 3.09Å; V314-K316 PolarHBondContact O-N 3.11Å; K316-G318 PolarHBondContact O-N 2.9Å; K316-P319 WeakPolarHBondContact O-CD 3.36Å; K316-F320 WeakPolarHBondContact O-CD2 3.04Å |
| 317 | A | 93.8 | Very high | 90.3 | Very high | 6 Ų | 6 | 34.1 Ų | 34.1 | 5% | 0.05 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.5 | -25.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | I313 V314 F320 F321 F354 F369 | I313-A317 PolarHBondContact O-N 3.42Å; V314-A317 WeakPolarHBondContact O-CB 3.44Å; V314-A317 PolarHBondContact O-N 3.16Å; A317-F320 WeakPolarHBondContact O-CB 3.39Å; A317-F320 PolarHBondContact O-N 2.93Å; A317-F320 VanDerWaalsContact O-N 3.07Å; A317-F321 HydrophobicContact CB-CD2 3.97Å; A317-F321 HydrophobicContact CB-CE2 3.74Å; A317-F321 VanDerWaalsContact O-CD2 3.3Å; A317-F321 WeakPolarHBondContact O-CD2 3.41Å; A317-F321 PolarHBondContact O-N 3.23Å; A317-F354 HydrophobicContact CB-CE1 4.27Å; A317-F369 HydrophobicContact CB-CD2 3.91Å; A317-F369 HydrophobicContact CB-CE2 3.5Å; A317-F369 VanDerWaalsContact CB-CE2 3.5Å |
| 318 | G | 94.6 | Very high | 91.8 | Very high | 28 Ų | 28 | 32.7 Ų | 32.7 | 29% | 0.289 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -50.5 | -56.8 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | K316 F320 F321 S322 | K316-G318 PolarHBondContact O-N 2.9Å; G318-F320 VanDerWaalsContact C-N 3.31Å; G318-F320 PolarHBondContact O-N 3.22Å; G318-F321 PolarHBondContact O-N 2.92Å; G318-S322 PolarHBondContact O-N 2.96Å; G318-S322 PolarHBondContact O-OG 3.37Å |
| 319 | P | 94.9 | Very high | 92.3 | Very high | 42 Ų | 42 | 31.2 Ų | 31.2 | 27% | 0.273 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -55.3 | -39.1 | 174.8 | -30.4 | 37.1 | 0 | 0 | 0 | 114.6 | F247 Y259 K316 S322 L323 | F247-P319 HydrophobicContact CD1-CB 3.79Å; F247-P319 HydrophobicContact CD1-CG 4.5Å; F247-P319 HydrophobicContact CD2-CB 4.05Å; F247-P319 HydrophobicContact CD2-CG 3.88Å; F247-P319 HydrophobicContact CE1-CB 3.58Å; F247-P319 HydrophobicContact CE1-CG 4.39Å; F247-P319 HydrophobicContact CE2-CB 3.85Å; F247-P319 HydrophobicContact CE2-CG 3.74Å; F247-P319 HydrophobicContact CG-CB 4.03Å; F247-P319 HydrophobicContact CG-CG 4.27Å; F247-P319 HydrophobicContact CZ-CB 3.6Å; F247-P319 HydrophobicContact CZ-CG 4.01Å; Y259-P319 WeakPolarHBondContact OH-CB 3.48Å; Y259-P319 PolarHBondContact OH-O 3.23Å; Y259-P319 VanDerWaalsContact OH-O 3.14Å; K316-P319 WeakPolarHBondContact O-CD 3.36Å; P319-S322 PolarHBondContact O-N 2.72Å; P319-L323 PolarHBondContact O-N 3.47Å |
| 320 | F | 96 | Very high | 92.1 | Very high | 1 Ų | 1 | 33 Ų | 33 | 0% | 0.004 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.6 | -45.9 | 177.4 | -65.4 | -68.8 | 0 | 0 | 0 | 112 | M246 F247 F265 L272 K316 A317 G318 S322 L323 L324 T350 L353 F354 | M246-F320 HydrophobicContact CE-CE1 3.58Å; M246-F320 HydrophobicContact CE-CZ 3.65Å; F247-F320 HydrophobicContact CE1-CD1 4.42Å; F247-F320 AromaticContact CE1-CE1 3.99Å; F247-F320 HydrophobicContact CE1-CE1 3.99Å; F247-F320 HydrophobicContact CE1-CE2 4.33Å; F247-F320 AromaticContact CE1-CZ 3.95Å; F247-F320 HydrophobicContact CE1-CZ 3.95Å; F247-F320 HydrophobicContact CZ-CD2 4.06Å; F247-F320 HydrophobicContact CZ-CE1 4.04Å; F247-F320 AromaticContact CZ-CE2 3.57Å; F247-F320 HydrophobicContact CZ-CE2 3.57Å; F247-F320 AromaticContact CZ-CZ 3.53Å; F247-F320 HydrophobicContact CZ-CZ 3.53Å; F265-F320 HydrophobicContact CE1-CD1 4.43Å; F265-F320 HydrophobicContact CE1-CE1 4.47Å; F265-F320 HydrophobicContact CE2-CD1 4.27Å; F265-F320 HydrophobicContact CE2-CE1 4.18Å; F265-F320 AromaticContact CZ-CD1 3.62Å; F265-F320 HydrophobicContact CZ-CD1 3.62Å; F265-F320 AromaticContact CZ-CE1 3.78Å; F265-F320 HydrophobicContact CZ-CE1 3.78Å; L272-F320 HydrophobicContact CD1-CE2 4.12Å; L272-F320 HydrophobicContact CD1-CZ 3.57Å; K316-F320 WeakPolarHBondContact O-CD2 3.04Å; A317-F320 WeakPolarHBondContact O-CB 3.39Å; A317-F320 PolarHBondContact O-N 2.93Å; A317-F320 VanDerWaalsContact O-N 3.07Å; G318-F320 VanDerWaalsContact C-N 3.31Å; G318-F320 PolarHBondContact O-N 3.22Å; F320-S322 VanDerWaalsContact C-N 3.34Å; F320-S322 PolarHBondContact O-N 2.69Å; F320-L323 WeakPolarHBondContact O-CB 3.45Å; F320-L323 PolarHBondContact O-N 2.94Å; F320-L324 PolarHBondContact O-N 3.41Å; F320-T350 HydrophobicContact CB-CG2 3.68Å; F320-T350 HydrophobicContact CD1-CG2 4Å; F320-T350 HydrophobicContact CG-CG2 4.26Å; F320-L353 HydrophobicContact CD1-CD2 4.02Å; F320-L353 HydrophobicContact CD2-CD2 4.25Å; F320-L353 HydrophobicContact CE1-CD2 3.68Å; F320-L353 HydrophobicContact CE2-CD2 3.88Å; F320-L353 HydrophobicContact CG-CD2 4.31Å; F320-L353 HydrophobicContact CZ-CD2 3.6Å; F320-F354 HydrophobicContact CB-CE1 4.15Å; F320-F354 HydrophobicContact CB-CE2 4.18Å; F320-F354 HydrophobicContact CB-CZ 3.54Å |
| 321 | F | 96.2 | Very high | 91.3 | Very high | 5 Ų | 5 | 40.4 Ų | 40.4 | 2% | 0.022 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.8 | -44.6 | 173.4 | -76.3 | -65.3 | 0 | 0 | 0 | 111.8 | A317 G318 L323 L324 E325 F354 F369 R372 M373 I376 | A317-F321 HydrophobicContact CB-CD2 3.97Å; A317-F321 HydrophobicContact CB-CE2 3.74Å; A317-F321 VanDerWaalsContact O-CD2 3.3Å; A317-F321 WeakPolarHBondContact O-CD2 3.41Å; A317-F321 PolarHBondContact O-N 3.23Å; G318-F321 PolarHBondContact O-N 2.92Å; F321-L323 PolarHBondContact O-N 3.18Å; F321-L324 PolarHBondContact O-N 3.45Å; F321-L324 VanDerWaalsContact O-N 3.1Å; F321-E325 WeakPolarHBondContact O-CB 3.47Å; F321-E325 VanDerWaalsContact O-CG 3.28Å; F321-E325 WeakPolarHBondContact O-CG 3.25Å; F321-E325 PolarHBondContact O-N 3.01Å; F321-F354 AromaticContact CD1-CE2 3.84Å; F321-F354 HydrophobicContact CD1-CE2 3.84Å; F321-F354 AromaticContact CD1-CZ 3.79Å; F321-F354 HydrophobicContact CD1-CZ 3.79Å; F321-F354 AromaticContact CD2-CZ 3.93Å; F321-F354 HydrophobicContact CD2-CZ 3.93Å; F321-F354 HydrophobicContact CE1-CE1 4.42Å; F321-F354 AromaticContact CE1-CE2 3.87Å; F321-F354 HydrophobicContact CE1-CE2 3.87Å; F321-F354 AromaticContact CE1-CZ 3.77Å; F321-F354 HydrophobicContact CE1-CZ 3.77Å; F321-F354 HydrophobicContact CE2-CE1 4.19Å; F321-F354 AromaticContact CE2-CZ 3.93Å; F321-F354 HydrophobicContact CE2-CZ 3.93Å; F321-F354 HydrophobicContact CG-CE2 4.3Å; F321-F354 AromaticContact CG-CZ 3.86Å; F321-F354 HydrophobicContact CG-CZ 3.86Å; F321-F354 HydrophobicContact CZ-CE1 4.12Å; F321-F354 HydrophobicContact CZ-CE2 4.38Å; F321-F354 AromaticContact CZ-CZ 3.85Å; F321-F354 HydrophobicContact CZ-CZ 3.85Å; F321-F369 AromaticContact CE2-CD2 3.69Å; F321-F369 HydrophobicContact CE2-CD2 3.69Å; F321-F369 AromaticContact CE2-CE2 3.72Å; F321-F369 HydrophobicContact CE2-CE2 3.72Å; F321-F369 HydrophobicContact CE2-CG 4.27Å; F321-F369 HydrophobicContact CE2-CZ 4.31Å; F321-F369 HydrophobicContact CZ-CD1 4.25Å; F321-F369 AromaticContact CZ-CD2 3.92Å; F321-F369 HydrophobicContact CZ-CD2 3.92Å; F321-F369 HydrophobicContact CZ-CE1 4.18Å; F321-F369 AromaticContact CZ-CE2 3.86Å; F321-F369 HydrophobicContact CZ-CE2 3.86Å; F321-F369 HydrophobicContact CZ-CG 4.13Å; F321-F369 AromaticContact CZ-CZ 3.98Å; F321-F369 HydrophobicContact CZ-CZ 3.98Å; F321-R372 HydrophobicContact CD1-CB 4.39Å; F321-R372 HydrophobicContact CD1-CG 3.74Å; F321-R372 HydrophobicContact CD2-CG 4.43Å; F321-R372 HydrophobicContact CE1-CB 4.08Å; F321-R372 HydrophobicContact CE1-CG 3.95Å; F321-R372 HydrophobicContact CG-CG 4.01Å; F321-R372 HydrophobicContact CZ-CB 4.19Å; F321-R372 HydrophobicContact CZ-CG 4.36Å; F321-M373 HydrophobicContact CE1-CB 4.08Å; F321-M373 HydrophobicContact CE1-SD 3.99Å; F321-M373 HydrophobicContact CZ-CB 4.35Å; F321-I376 HydrophobicContact CD1-CG1 4.15Å |
| 322 | S | 94.4 | Very high | 89.9 | Confident | 56 Ų | 56 | 46.6 Ų | 46.6 | 39% | 0.392 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -61.1 | -32.3 | 178.5 | -67.9 | 0 | 0 | 0 | 0 | 113.1 | G318 P319 F320 R326 | G318-S322 PolarHBondContact O-N 2.96Å; G318-S322 PolarHBondContact O-OG 3.37Å; P319-S322 PolarHBondContact O-N 2.72Å; F320-S322 VanDerWaalsContact C-N 3.34Å; F320-S322 PolarHBondContact O-N 2.69Å; S322-R326 VanDerWaalsContact O-CB 3.24Å; S322-R326 WeakPolarHBondContact O-CB 3.38Å; S322-R326 PolarHBondContact O-N 2.93Å |
| 323 | L | 94.7 | Very high | 87.9 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.4 | -48.5 | 172.2 | -177.2 | 76.2 | 0 | 0 | 0 | 111.4 | F257 P258 Y259 F265 P319 F320 F321 R326 A327 F343 A346 T350 | F257-L323 HydrophobicContact CD2-CD1 3.81Å; F257-L323 HydrophobicContact CE2-CD1 3.51Å; F257-L323 HydrophobicContact CE2-CD2 4.33Å; F257-L323 HydrophobicContact CZ-CD1 4.5Å; P258-L323 HydrophobicContact CG-CD1 3.72Å; Y259-L323 HydrophobicContact CE2-CD1 4.27Å; F265-L323 HydrophobicContact CD1-CD2 4.31Å; F265-L323 HydrophobicContact CE1-CD2 3.47Å; F265-L323 VanDerWaalsContact CE1-CD2 3.47Å; F265-L323 HydrophobicContact CE2-CD2 4.39Å; F265-L323 HydrophobicContact CZ-CD2 3.51Å; P319-L323 PolarHBondContact O-N 3.47Å; F320-L323 WeakPolarHBondContact O-CB 3.45Å; F320-L323 PolarHBondContact O-N 2.94Å; F321-L323 PolarHBondContact O-N 3.18Å; L323-R326 PolarHBondContact O-N 3.38Å; L323-A327 PolarHBondContact O-N 3.23Å; L323-F343 HydrophobicContact CD1-CD2 3.89Å; L323-F343 HydrophobicContact CD1-CE2 3.54Å; L323-F343 HydrophobicContact CD1-CZ 3.91Å; L323-F343 HydrophobicContact CD2-CD2 4.34Å; L323-F343 HydrophobicContact CD2-CE2 4.22Å; L323-F343 HydrophobicContact CG-CD2 4.14Å; L323-F343 HydrophobicContact CG-CE2 3.61Å; L323-F343 HydrophobicContact CG-CZ 4.27Å; L323-F343 WeakPolarHBondContact O-CZ 3.44Å; L323-A346 HydrophobicContact CD2-CB 3.89Å; L323-T350 WeakPolarHBondContact CD2-OG1 3.11Å |
| 324 | L | 94.7 | Very high | 85.7 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.4 | -43.5 | 179.5 | -63.3 | -176.1 | 0 | 0 | 0 | 111.9 | F320 F321 R326 A327 H328 Y347 T350 M351 F354 I376 | F320-L324 PolarHBondContact O-N 3.41Å; F321-L324 PolarHBondContact O-N 3.45Å; F321-L324 VanDerWaalsContact O-N 3.1Å; L324-R326 VanDerWaalsContact C-N 3.28Å; L324-R326 PolarHBondContact O-N 3.16Å; L324-A327 WeakPolarHBondContact O-CA 3.34Å; L324-A327 VanDerWaalsContact O-CB 3.25Å; L324-A327 WeakPolarHBondContact O-CB 3.48Å; L324-A327 PolarHBondContact O-N 2.76Å; L324-H328 PolarHBondContact O-CD2 3.04Å; L324-H328 VanDerWaalsContact O-CG 3.31Å; L324-H328 PolarHBondContact O-N 2.87Å; L324-Y347 HydrophobicContact CD2-CD2 3.5Å; L324-Y347 VanDerWaalsContact CD2-CD2 3.5Å; L324-Y347 HydrophobicContact CD2-CE2 3.62Å; L324-Y347 HydrophobicContact CD2-CG 4.01Å; L324-T350 HydrophobicContact CD1-CG2 3.91Å; L324-T350 HydrophobicContact CD2-CG2 4.08Å; L324-T350 HydrophobicContact CG-CG2 3.84Å; L324-M351 HydrophobicContact CD1-CG 4.43Å; L324-M351 HydrophobicContact CD1-SD 3.7Å; L324-M351 HydrophobicContact CD2-CG 4.24Å; L324-M351 HydrophobicContact CD2-SD 4.44Å; L324-F354 HydrophobicContact CD1-CD2 3.77Å; L324-F354 HydrophobicContact CD1-CE2 3.59Å; L324-I376 HydrophobicContact CB-CD1 3.82Å; L324-I376 HydrophobicContact CB-CG1 4.4Å; L324-I376 HydrophobicContact CB-CG2 4.23Å; L324-I376 HydrophobicContact CD1-CG2 3.66Å |
| 325 | E | 94.1 | Very high | 83.5 | Confident | 57 Ų | 57 | 60.9 Ų | 60.9 | 27% | 0.266 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59.2 | -40.1 | 174.7 | -71.2 | 166.2 | 172.1 | 0 | 0 | 111.5 | F321 H328 S329 R372 I376 | F321-E325 WeakPolarHBondContact O-CB 3.47Å; F321-E325 VanDerWaalsContact O-CG 3.28Å; F321-E325 WeakPolarHBondContact O-CG 3.25Å; F321-E325 PolarHBondContact O-N 3.01Å; E325-H328 CarbonylContact O-C 3.6Å; E325-H328 VanDerWaalsContact O-C 3.26Å; E325-H328 PolarHBondContact O-N 3.44Å; E325-S329 PolarHBondContact O-N 3.12Å; E325-R372 IonicContact OE1-CZ 3.25Å; E325-R372 VanDerWaalsContact OE1-CZ 3.25Å; E325-R372 IonicContact OE1-NE 2.76Å; E325-R372 PolarHBondContact OE1-NE 3.05Å; E325-R372 IonicContact OE1-NH2 2.92Å; E325-R372 PolarHBondContact OE1-NH2 3.05Å; E325-R372 IonicContact OE2-CZ 3.88Å; E325-R372 IonicContact OE2-NH2 2.83Å; E325-R372 PolarHBondContact OE2-NH2 2.8Å; E325-I376 HydrophobicContact CG-CD1 3.7Å |
| 326 | R | 91.5 | Very high | 81.2 | Confident | 97 Ų | 97 | 60.1 Ų | 60.1 | 37% | 0.366 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -67.1 | -38.6 | 173.8 | -178 | 170 | 177.3 | 141.8 | -2.9 | 111.7 | K255 D256 S322 L323 L324 H328 S329 I330 | K255-R326 PolarHBondContact O-NH2 3.3Å; D256-R326 PolarHBondContact O-NE 3.47Å; D256-R326 PolarHBondContact O-NH2 2.81Å; S322-R326 VanDerWaalsContact O-CB 3.24Å; S322-R326 WeakPolarHBondContact O-CB 3.38Å; S322-R326 PolarHBondContact O-N 2.93Å; L323-R326 PolarHBondContact O-N 3.38Å; L324-R326 VanDerWaalsContact C-N 3.28Å; L324-R326 PolarHBondContact O-N 3.16Å; R326-H328 PolarHBondContact O-N 2.88Å; R326-S329 PolarHBondContact O-N 3.04Å; R326-S329 PolarHBondContact O-OG 2.65Å; R326-I330 HydrophobicContact CG-CD1 4.42Å; R326-I330 WeakPolarHBondContact O-CG1 3.37Å; R326-I330 PolarHBondContact O-N 3.19Å |
| 327 | A | 90.3 | Very high | 78.9 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59.6 | -41.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | L323 L324 S329 P342 F343 Y347 | L323-A327 PolarHBondContact O-N 3.23Å; L324-A327 WeakPolarHBondContact O-CA 3.34Å; L324-A327 VanDerWaalsContact O-CB 3.25Å; L324-A327 WeakPolarHBondContact O-CB 3.48Å; L324-A327 PolarHBondContact O-N 2.76Å; A327-S329 VanDerWaalsContact C-N 3.28Å; A327-S329 PolarHBondContact O-N 2.99Å; A327-P342 VanDerWaalsContact CA-CG 3.49Å; A327-P342 HydrophobicContact CB-CG 3.73Å; A327-F343 HydrophobicContact CB-CE1 4.48Å; A327-F343 HydrophobicContact CB-CE2 3.56Å; A327-F343 HydrophobicContact CB-CZ 3.45Å; A327-F343 VanDerWaalsContact CB-CZ 3.45Å; A327-Y347 HydrophobicContact CB-CD2 3.56Å; A327-Y347 HydrophobicContact CB-CE2 3.84Å |
| 328 | H | 90 | Very high | 77 | Confident | 6 Ų | 6 | 68.7 Ų | 68.7 | 3% | 0.028 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | 8.4 | 174 | -56.4 | 173.5 | 0 | 0 | 0 | 113.4 | L324 E325 R326 Y347 I376 E379 R383 Y384 | L324-H328 PolarHBondContact O-CD2 3.04Å; L324-H328 VanDerWaalsContact O-CG 3.31Å; L324-H328 PolarHBondContact O-N 2.87Å; E325-H328 CarbonylContact O-C 3.6Å; E325-H328 VanDerWaalsContact O-C 3.26Å; E325-H328 PolarHBondContact O-N 3.44Å; R326-H328 PolarHBondContact O-N 2.88Å; H328-Y347 AromaticContact CD2-CE2 3.88Å; H328-Y347 AromaticContact NE2-CE2 3.41Å; H328-Y347 WeakPolarHBondContact NE2-CE2 3.33Å; H328-Y347 AromaticContact NE2-CZ 3.59Å; H328-Y347 PolarHBondContact NE2-OH 2.93Å; H328-I376 PolarHBondContact CE1-O 3.38Å; H328-I376 VanDerWaalsContact CE1-O 3.29Å; H328-E379 WeakPolarHBondContact CB-OE2 3.45Å; H328-E379 IonicContact CE1-OE2 2.78Å; H328-E379 IonicContact CG-OE2 2.74Å; H328-E379 VanDerWaalsContact ND1-CB 3.31Å; H328-E379 WeakPolarHBondContact ND1-CB 3.24Å; H328-E379 IonicContact ND1-OE2 3.45Å; H328-E379 PolarHBondContact ND1-OE2 3.44Å; H328-R383 VanDerWaalsContact C-CZ 3.45Å; H328-R383 PolarHBondContact O-NE 3.26Å; H328-R383 PolarHBondContact O-NH1 3.22Å; H328-R383 PolarHBondContact O-NH2 3.41Å; H328-Y384 AromaticContact CD2-CE2 3.7Å; H328-Y384 AromaticContact NE2-CE2 3.65Å |
| 329 | S | 87.4 | Confident | 75.6 | Confident | 77 Ų | 77 | 67.7 Ų | 67.7 | 54% | 0.538 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | -25.9 | 170.6 | 75.4 | 0 | 0 | 0 | 0 | 111.8 | E325 R326 A327 K331 | E325-S329 PolarHBondContact O-N 3.12Å; R326-S329 PolarHBondContact O-N 3.04Å; R326-S329 PolarHBondContact O-OG 2.65Å; A327-S329 VanDerWaalsContact C-N 3.28Å; A327-S329 PolarHBondContact O-N 2.99Å; S329-K331 PolarHBondContact O-N 3.17Å; S329-K331 VanDerWaalsContact O-N 3.16Å |
| 330 | I | 84 | Confident | 74.7 | Confident | 38 Ų | 38 | 69.2 Ų | 69.2 | 20% | 0.195 | 36% | 0.359 | C | S | . | . | trans | -70.1 | 109.1 | 178.9 | -62.6 | 164.6 | 0 | 0 | 0 | 109.5 | D256 R326 R332 P342 F343 | D256-I330 HydrophobicContact CB-CD1 4.21Å; R326-I330 HydrophobicContact CG-CD1 4.42Å; R326-I330 WeakPolarHBondContact O-CG1 3.37Å; R326-I330 PolarHBondContact O-N 3.19Å; I330-R332 HydrophobicContact CG2-CG 4.08Å; I330-P342 HydrophobicContact CB-CG 4.43Å; I330-P342 HydrophobicContact CD1-CB 4.03Å; I330-P342 HydrophobicContact CD1-CG 3.94Å; I330-F343 HydrophobicContact CD1-CE1 3.97Å | ||
| 331 | K | 69.9 | Low | 74.3 | Confident | 165 Ų | 165 | 69.3 Ų | 69.3 | 72% | 0.717 | 36% | 0.359 | S | S | * | . | trans | -85.6 | 111.8 | 168.8 | -67.1 | -175.4 | 178.6 | -176.6 | 0 | 108.4 | S329 | S329-K331 PolarHBondContact O-N 3.17Å; S329-K331 VanDerWaalsContact O-N 3.16Å | ||
| 332 | R | 60.3 | Low | 73.8 | Confident | 136 Ų | 136 | 69.3 Ų | 69.3 | 51% | 0.513 | 36% | 0.36 | S | S | . | . | trans | -94 | 106.8 | 169 | -70.5 | -173.5 | 175.8 | 176.2 | -2.8 | 108.4 | I330 G334 | I330-R332 HydrophobicContact CG2-CG 4.08Å; R332-G334 PolarHBondContact O-N 2.83Å | ||
| 333 | D | 48.9 | Very low | 73.5 | Confident | 164 Ų | 164 | 67.5 Ų | 67.5 | 88% | 0.877 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | 125.3 | 176.1 | -76.5 | -29.3 | 0 | 0 | 0 | 110.2 | ||
| 334 | G | 47.5 | Very low | 73.2 | Confident | 75 Ų | 75 | 73.8 Ų | 73.8 | 77% | 0.773 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 102.8 | -3.4 | 167.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | R332 | R332-G334 PolarHBondContact O-N 2.83Š|
| 335 | D | 44.7 | Very low | 73 | Confident | 90 Ų | 90 | 77.8 Ų | 77.8 | 48% | 0.481 | 39% | 0.387 | S | S | . | . | trans | -131.6 | 24.1 | -169.7 | -113.5 | -7.7 | 0 | 0 | 0 | 115.5 | V337 R338 G339 | D335-V337 PolarHBondContact O-N 2.67Å; D335-R338 PolarHBondContact O-N 3.03Å; D335-G339 PolarHBondContact O-N 3.44Å | ||
| 336 | F | 43.8 | Very low | 73 | Confident | 149 Ų | 149 | 75 Ų | 75 | 65% | 0.654 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | -20.5 | 168.6 | -80.3 | -80.5 | 0 | 0 | 0 | 112.8 | ||
| 337 | V | 46.1 | Very low | 73.1 | Confident | 98 Ų | 98 | 70.4 Ų | 70.4 | 59% | 0.594 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -15.6 | 179.2 | -172.1 | 0 | 0 | 0 | 0 | 113.1 | D335 | D335-V337 PolarHBondContact O-N 2.67Š|
| 338 | R | 54.1 | Low | 73.3 | Confident | 159 Ų | 159 | 70.9 Ų | 70.9 | 60% | 0.6 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.1 | -2.1 | -176.1 | -69.9 | -172.2 | -178.7 | -157.2 | 1.6 | 116.2 | D335 V340 W570 | D335-R338 PolarHBondContact O-N 3.03Å; R338-V340 VanDerWaalsContact C-N 3.33Å; R338-V340 WeakPolarHBondContact O-CG2 3.37Å; R338-V340 PolarHBondContact O-N 3.34Å; R338-W570 VanDerWaalsContact NH1-CH2 3.31Å; R338-W570 VanDerWaalsContact NH1-CZ2 3.34Å |
| 339 | G | 64.1 | Low | 73.5 | Confident | 6 Ų | 6 | 71.2 Ų | 71.2 | 6% | 0.062 | 36% | 0.364 | C | S | . | . | trans | 62.1 | 15 | 149.1 | 0 | 0 | 0 | 0 | 0 | 119.1 | D335 Y384 N387 | D335-G339 PolarHBondContact O-N 3.44Å; G339-Y384 WeakPolarHBondContact O-CD1 3.39Å; G339-N387 VanDerWaalsContact O-CB 3.28Å; G339-N387 WeakPolarHBondContact O-CB 3.39Å; G339-N387 PolarHBondContact O-ND2 3.15Å | ||
| 340 | V | 77.1 | Confident | 73.9 | Confident | 75 Ų | 75 | 67.5 Ų | 67.5 | 46% | 0.455 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -93 | 126.3 | 179.5 | -173.3 | 0 | 0 | 0 | 0 | 110.8 | R338 R344 | R338-V340 VanDerWaalsContact C-N 3.33Å; R338-V340 WeakPolarHBondContact O-CG2 3.37Å; R338-V340 PolarHBondContact O-N 3.34Å; V340-R344 HydrophobicContact CG1-CB 4.18Å; V340-R344 HydrophobicContact CG1-CG 3.94Å |
| 341 | P | 86.1 | Confident | 74.4 | Confident | 2 Ų | 2 | 65.7 Ų | 65.7 | 1% | 0.013 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 150 | 174.7 | 25.2 | -33 | 0 | 0 | 0 | 111.7 | Y347 F348 Y384 V390 | P341-Y347 HydrophobicContact CB-CD1 3.83Å; P341-Y347 HydrophobicContact CB-CD2 3.64Å; P341-Y347 HydrophobicContact CB-CE1 4.17Å; P341-Y347 HydrophobicContact CB-CE2 3.99Å; P341-Y347 HydrophobicContact CB-CG 3.55Å; P341-Y347 HydrophobicContact CG-CD1 3.5Å; P341-Y347 HydrophobicContact CG-CD2 4.27Å; P341-Y347 HydrophobicContact CG-CE1 3.99Å; P341-Y347 HydrophobicContact CG-CG 3.67Å; P341-F348 HydrophobicContact CG-CE1 4.46Å; P341-F348 HydrophobicContact CG-CE2 4.26Å; P341-F348 HydrophobicContact CG-CZ 3.99Å; P341-Y384 HydrophobicContact CB-CE1 4.07Å; P341-Y384 HydrophobicContact CB-CE2 4.29Å; P341-V390 HydrophobicContact CG-CG2 4.23Å |
| 342 | P | 86.2 | Confident | 75.5 | Confident | 6 Ų | 6 | 61.6 Ų | 61.6 | 4% | 0.039 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -60.7 | 155.4 | 168.5 | 30.7 | -36.5 | 0 | 0 | 0 | 110.2 | A327 I330 R344 | A327-P342 VanDerWaalsContact CA-CG 3.49Å; A327-P342 HydrophobicContact CB-CG 3.73Å; I330-P342 HydrophobicContact CB-CG 4.43Å; I330-P342 HydrophobicContact CD1-CB 4.03Å; I330-P342 HydrophobicContact CD1-CG 3.94Å; P342-R344 VanDerWaalsContact C-N 3.28Å; P342-R344 PolarHBondContact O-N 2.83Å |
| 343 | F | 88.7 | Confident | 77.2 | Confident | 18 Ų | 18 | 55.1 Ų | 55.1 | 8% | 0.079 | 29% | 0.285 | C | S | . | . | S | Bend | trans | 42.2 | 57.4 | -176.3 | 41.2 | -95.9 | 0 | 0 | 0 | 111.8 | F257 E262 L323 A327 I330 E345 A346 Y347 | F257-F343 HydrophobicContact CB-CD1 4.47Å; F257-F343 HydrophobicContact CD2-CB 3.72Å; F257-F343 HydrophobicContact CD2-CD1 4.07Å; F257-F343 HydrophobicContact CD2-CD2 4.23Å; F257-F343 AromaticContact CD2-CG 3.74Å; F257-F343 HydrophobicContact CD2-CG 3.74Å; F257-F343 HydrophobicContact CE2-CB 4.37Å; F257-F343 HydrophobicContact CE2-CG 4.42Å; E262-F343 HydrophobicContact CG-CB 4.47Å; E262-F343 VanDerWaalsContact OE1-CA 3.31Å; E262-F343 WeakPolarHBondContact OE1-CA 3.27Å; E262-F343 WeakPolarHBondContact OE1-CB 2.77Å; L323-F343 HydrophobicContact CD1-CD2 3.89Å; L323-F343 HydrophobicContact CD1-CE2 3.54Å; L323-F343 HydrophobicContact CD1-CZ 3.91Å; L323-F343 HydrophobicContact CD2-CD2 4.34Å; L323-F343 HydrophobicContact CD2-CE2 4.22Å; L323-F343 HydrophobicContact CG-CD2 4.14Å; L323-F343 HydrophobicContact CG-CE2 3.61Å; L323-F343 HydrophobicContact CG-CZ 4.27Å; L323-F343 WeakPolarHBondContact O-CZ 3.44Å; A327-F343 HydrophobicContact CB-CE1 4.48Å; A327-F343 HydrophobicContact CB-CE2 3.56Å; A327-F343 HydrophobicContact CB-CZ 3.45Å; A327-F343 VanDerWaalsContact CB-CZ 3.45Å; I330-F343 HydrophobicContact CD1-CE1 3.97Å; F343-E345 PolarHBondContact O-N 2.83Å; F343-E345 VanDerWaalsContact O-N 3.11Å; F343-A346 HydrophobicContact CB-CB 4.43Å; F343-A346 HydrophobicContact CD2-CB 4.32Å; F343-A346 PolarHBondContact O-N 3.16Å; F343-Y347 PolarHBondContact O-N 3.45Å |
| 344 | R | 88.7 | Confident | 79.3 | Confident | 132 Ų | 132 | 47.4 Ų | 47.4 | 50% | 0.498 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -47.3 | -45.8 | -166.5 | -178.3 | -170.5 | 173.5 | -177.1 | 0.1 | 112.7 | V340 P342 Y347 F348 | V340-R344 HydrophobicContact CG1-CB 4.18Å; V340-R344 HydrophobicContact CG1-CG 3.94Å; P342-R344 VanDerWaalsContact C-N 3.28Å; P342-R344 PolarHBondContact O-N 2.83Å; R344-Y347 PolarHBondContact O-N 3.01Å; R344-F348 HydrophobicContact CG-CD2 3.61Å; R344-F348 HydrophobicContact CG-CE2 3.42Å; R344-F348 VanDerWaalsContact CG-CE2 3.42Å; R344-F348 WeakPolarHBondContact O-CD2 3.4Å; R344-F348 PolarHBondContact O-N 2.97Å |
| 345 | E | 90.6 | Very high | 81.4 | Confident | 83 Ų | 83 | 45.4 Ų | 45.4 | 39% | 0.388 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -70.4 | -43.2 | -175.4 | -60.5 | -54.8 | 136.9 | 0 | 0 | 110.7 | E262 V266 F343 F348 G349 | E262-E345 PolarHBondContact OE1-N 3.21Å; V266-E345 VanDerWaalsContact CG2-C 3.49Å; V266-E345 HydrophobicContact CG2-CB 3.75Å; F343-E345 PolarHBondContact O-N 2.83Å; F343-E345 VanDerWaalsContact O-N 3.11Å; E345-F348 PolarHBondContact O-N 2.9Å; E345-G349 PolarHBondContact O-N 3.33Å |
| 346 | A | 93.6 | Very high | 83.7 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67.5 | -36.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | F257 E262 F265 V266 L323 F343 T350 | F257-A346 HydrophobicContact CD2-CB 4.44Å; F257-A346 HydrophobicContact CE2-CB 3.56Å; F257-A346 HydrophobicContact CZ-CB 4.15Å; E262-A346 HydrophobicContact CG-CB 3.74Å; E262-A346 PolarHBondContact OE1-N 3.5Å; F265-A346 HydrophobicContact CD1-CB 3.71Å; F265-A346 HydrophobicContact CE1-CB 4.04Å; V266-A346 HydrophobicContact CG2-CB 4.05Å; L323-A346 HydrophobicContact CD2-CB 3.89Å; F343-A346 HydrophobicContact CB-CB 4.43Å; F343-A346 HydrophobicContact CD2-CB 4.32Å; F343-A346 PolarHBondContact O-N 3.16Å; A346-T350 WeakPolarHBondContact O-CB 3.33Å; A346-T350 PolarHBondContact O-N 2.65Å; A346-T350 PolarHBondContact O-OG1 3.17Å |
| 347 | Y | 94.1 | Very high | 85.9 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.6 | -51.4 | 174 | -175.8 | -83.4 | 0 | 0 | 0 | 110.8 | L324 A327 H328 P341 F343 R344 T350 M351 Y384 V390 | L324-Y347 HydrophobicContact CD2-CD2 3.5Å; L324-Y347 VanDerWaalsContact CD2-CD2 3.5Å; L324-Y347 HydrophobicContact CD2-CE2 3.62Å; L324-Y347 HydrophobicContact CD2-CG 4.01Å; A327-Y347 HydrophobicContact CB-CD2 3.56Å; A327-Y347 HydrophobicContact CB-CE2 3.84Å; H328-Y347 AromaticContact CD2-CE2 3.88Å; H328-Y347 AromaticContact NE2-CE2 3.41Å; H328-Y347 WeakPolarHBondContact NE2-CE2 3.33Å; H328-Y347 AromaticContact NE2-CZ 3.59Å; H328-Y347 PolarHBondContact NE2-OH 2.93Å; P341-Y347 HydrophobicContact CB-CD1 3.83Å; P341-Y347 HydrophobicContact CB-CD2 3.64Å; P341-Y347 HydrophobicContact CB-CE1 4.17Å; P341-Y347 HydrophobicContact CB-CE2 3.99Å; P341-Y347 HydrophobicContact CB-CG 3.55Å; P341-Y347 HydrophobicContact CG-CD1 3.5Å; P341-Y347 HydrophobicContact CG-CD2 4.27Å; P341-Y347 HydrophobicContact CG-CE1 3.99Å; P341-Y347 HydrophobicContact CG-CG 3.67Å; F343-Y347 PolarHBondContact O-N 3.45Å; R344-Y347 PolarHBondContact O-N 3.01Å; Y347-T350 PolarHBondContact O-N 3.32Å; Y347-M351 HydrophobicContact CD1-CG 4.08Å; Y347-M351 HydrophobicContact CE1-CG 3.71Å; Y347-M351 WeakPolarHBondContact O-CG 3.32Å; Y347-M351 PolarHBondContact O-N 2.66Å; Y347-Y384 HydrophobicContact CE2-CE2 4.3Å; Y347-V390 HydrophobicContact CE1-CG1 4.08Å; Y347-V390 HydrophobicContact CE1-CG2 4.13Å |
| 348 | F | 93.6 | Very high | 87.8 | Confident | 9 Ų | 9 | 30.3 Ų | 30.3 | 4% | 0.039 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -71.1 | -34.3 | 180 | -70.2 | -49.2 | 0 | 0 | 0 | 113.5 | P341 R344 E345 T350 M351 R352 Y389 V390 L393 | P341-F348 HydrophobicContact CG-CE1 4.46Å; P341-F348 HydrophobicContact CG-CE2 4.26Å; P341-F348 HydrophobicContact CG-CZ 3.99Å; R344-F348 HydrophobicContact CG-CD2 3.61Å; R344-F348 HydrophobicContact CG-CE2 3.42Å; R344-F348 VanDerWaalsContact CG-CE2 3.42Å; R344-F348 WeakPolarHBondContact O-CD2 3.4Å; R344-F348 PolarHBondContact O-N 2.97Å; E345-F348 PolarHBondContact O-N 2.9Å; F348-T350 VanDerWaalsContact C-N 3.29Å; F348-T350 PolarHBondContact O-N 3.2Å; F348-M351 PolarHBondContact O-N 2.8Å; F348-R352 WeakPolarHBondContact O-CB 3.38Å; F348-R352 VanDerWaalsContact O-CG 3.27Å; F348-R352 WeakPolarHBondContact O-CG 3.48Å; F348-R352 PolarHBondContact O-N 2.93Å; F348-Y389 HydrophobicContact CB-CE1 4.26Å; F348-Y389 AromaticContact CD1-CD1 3.57Å; F348-Y389 HydrophobicContact CD1-CD1 3.57Å; F348-Y389 AromaticContact CD1-CE1 3.45Å; F348-Y389 HydrophobicContact CD1-CE1 3.45Å; F348-Y389 VanDerWaalsContact CD1-CE1 3.45Å; F348-Y389 HydrophobicContact CD2-CD1 4.26Å; F348-Y389 HydrophobicContact CD2-CE1 4.08Å; F348-Y389 AromaticContact CE1-CD1 3.3Å; F348-Y389 HydrophobicContact CE1-CD1 3.3Å; F348-Y389 AromaticContact CE1-CE1 3.73Å; F348-Y389 HydrophobicContact CE1-CE1 3.73Å; F348-Y389 HydrophobicContact CE1-CG 4.49Å; F348-Y389 HydrophobicContact CE2-CD1 4Å; F348-Y389 HydrophobicContact CE2-CE1 4.29Å; F348-Y389 HydrophobicContact CG-CD1 4.08Å; F348-Y389 AromaticContact CG-CE1 3.67Å; F348-Y389 HydrophobicContact CG-CE1 3.67Å; F348-Y389 AromaticContact CZ-CD1 3.53Å; F348-Y389 HydrophobicContact CZ-CD1 3.53Å; F348-Y389 HydrophobicContact CZ-CE1 4.14Å; F348-V390 HydrophobicContact CE1-CB 4.28Å; F348-V390 HydrophobicContact CE1-CG2 3.43Å; F348-V390 VanDerWaalsContact CE1-CG2 3.43Å; F348-V390 HydrophobicContact CZ-CG2 3.6Å; F348-L393 HydrophobicContact CD1-CD1 3.78Å; F348-L393 HydrophobicContact CE1-CD1 4.44Å |
| 349 | G | 93.5 | Very high | 89.3 | Confident | 13 Ų | 13 | 24.7 Ų | 24.7 | 13% | 0.134 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -58.1 | -44.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | E345 R352 L353 | E345-G349 PolarHBondContact O-N 3.33Å; G349-R352 PolarHBondContact O-N 2.78Å; G349-L353 WeakPolarHBondContact O-CB 3.46Å; G349-L353 PolarHBondContact O-N 3.03Å |
| 350 | T | 96.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -68 | -46.4 | 177.6 | -53.1 | 0 | 0 | 0 | 0 | 112.2 | F265 F320 L323 L324 A346 Y347 F348 R352 L353 F354 | F265-T350 WeakPolarHBondContact CE1-OG1 3.48Å; F320-T350 HydrophobicContact CB-CG2 3.68Å; F320-T350 HydrophobicContact CD1-CG2 4Å; F320-T350 HydrophobicContact CG-CG2 4.26Å; L323-T350 WeakPolarHBondContact CD2-OG1 3.11Å; L324-T350 HydrophobicContact CD1-CG2 3.91Å; L324-T350 HydrophobicContact CD2-CG2 4.08Å; L324-T350 HydrophobicContact CG-CG2 3.84Å; A346-T350 WeakPolarHBondContact O-CB 3.33Å; A346-T350 PolarHBondContact O-N 2.65Å; A346-T350 PolarHBondContact O-OG1 3.17Å; Y347-T350 PolarHBondContact O-N 3.32Å; F348-T350 VanDerWaalsContact C-N 3.29Å; F348-T350 PolarHBondContact O-N 3.2Å; T350-R352 VanDerWaalsContact C-N 3.3Å; T350-R352 PolarHBondContact O-N 3.26Å; T350-L353 WeakPolarHBondContact O-CB 3.34Å; T350-L353 PolarHBondContact O-N 3.32Å; T350-L353 VanDerWaalsContact O-N 3.13Å; T350-F354 HydrophobicContact CG2-CD2 4.04Å; T350-F354 HydrophobicContact CG2-CE2 3.76Å; T350-F354 HydrophobicContact CG2-CZ 4.35Å; T350-F354 PolarHBondContact O-N 2.88Å |
| 351 | M | 94.5 | Very high | 90 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -61.3 | -39 | 177.3 | -74.9 | -62.3 | -65.9 | 0 | 0 | 112.1 | L324 Y347 F348 F354 H355 M373 I376 L393 A394 | L324-M351 HydrophobicContact CD1-CG 4.43Å; L324-M351 HydrophobicContact CD1-SD 3.7Å; L324-M351 HydrophobicContact CD2-CG 4.24Å; L324-M351 HydrophobicContact CD2-SD 4.44Å; Y347-M351 HydrophobicContact CD1-CG 4.08Å; Y347-M351 HydrophobicContact CE1-CG 3.71Å; Y347-M351 WeakPolarHBondContact O-CG 3.32Å; Y347-M351 PolarHBondContact O-N 2.66Å; F348-M351 PolarHBondContact O-N 2.8Å; M351-F354 PolarHBondContact O-N 2.67Å; M351-H355 WeakPolarHBondContact O-CB 3.44Å; M351-H355 PolarHBondContact O-N 3.28Å; M351-M373 HydrophobicContact CE-CE 3.85Å; M351-M373 HydrophobicContact SD-CE 3.83Å; M351-I376 HydrophobicContact SD-CG2 4.2Å; M351-L393 HydrophobicContact CB-CB 4.38Å; M351-L393 HydrophobicContact CB-CD1 4.11Å; M351-L393 HydrophobicContact CE-CB 4.43Å; M351-A394 HydrophobicContact CE-CB 4.05Å |
| 352 | R | 93.6 | Very high | 89.5 | Confident | 78 Ų | 78 | 22.9 Ų | 22.9 | 29% | 0.294 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -65.3 | -38.5 | 174 | -77.6 | 174.4 | 175.3 | -177.6 | -6.3 | 112.4 | F348 G349 T350 Q356 Y389 L393 W591 | F348-R352 WeakPolarHBondContact O-CB 3.38Å; F348-R352 VanDerWaalsContact O-CG 3.27Å; F348-R352 WeakPolarHBondContact O-CG 3.48Å; F348-R352 PolarHBondContact O-N 2.93Å; G349-R352 PolarHBondContact O-N 2.78Å; T350-R352 VanDerWaalsContact C-N 3.3Å; T350-R352 PolarHBondContact O-N 3.26Å; R352-Q356 WeakPolarHBondContact O-CB 3.49Å; R352-Q356 PolarHBondContact O-N 3.22Å; R352-Y389 VanDerWaalsContact CZ-OH 3.26Å; R352-Y389 PolarHBondContact NE-OH 3.46Å; R352-Y389 VanDerWaalsContact NE-OH 3.13Å; R352-Y389 PolarHBondContact NH2-OH 2.95Å; R352-L393 HydrophobicContact CG-CD1 4.27Å; R352-L393 HydrophobicContact CG-CD2 4.01Å; R352-W591 VanDerWaalsContact NH2-CD1 3.33Å |
| 353 | L | 95 | Very high | 88.9 | Confident | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.4 | -47.5 | 175.3 | -179.9 | 63.7 | 0 | 0 | 0 | 110.9 | L272 I276 F320 G349 T350 Q356 L357 | L272-L353 HydrophobicContact CB-CD1 3.61Å; L272-L353 HydrophobicContact CB-CD2 4.37Å; L272-L353 HydrophobicContact CD1-CD2 3.96Å; I276-L353 HydrophobicContact CD1-CD1 3.51Å; F320-L353 HydrophobicContact CD1-CD2 4.02Å; F320-L353 HydrophobicContact CD2-CD2 4.25Å; F320-L353 HydrophobicContact CE1-CD2 3.68Å; F320-L353 HydrophobicContact CE2-CD2 3.88Å; F320-L353 HydrophobicContact CG-CD2 4.31Å; F320-L353 HydrophobicContact CZ-CD2 3.6Å; G349-L353 WeakPolarHBondContact O-CB 3.46Å; G349-L353 PolarHBondContact O-N 3.03Å; T350-L353 WeakPolarHBondContact O-CB 3.34Å; T350-L353 PolarHBondContact O-N 3.32Å; T350-L353 VanDerWaalsContact O-N 3.13Å; L353-Q356 PolarHBondContact O-N 3.49Å; L353-L357 HydrophobicContact CG-CD1 4.49Å; L353-L357 WeakPolarHBondContact O-CG 3.35Å; L353-L357 PolarHBondContact O-N 2.91Å |
| 354 | F | 94.4 | Very high | 88.5 | Confident | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.009 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -65.1 | -41 | 176.7 | -72.8 | -35.9 | 0 | 0 | 0 | 113.1 | A317 F320 F321 L324 T350 M351 Q356 L357 A358 F369 M373 | A317-F354 HydrophobicContact CB-CE1 4.27Å; F320-F354 HydrophobicContact CB-CE1 4.15Å; F320-F354 HydrophobicContact CB-CE2 4.18Å; F320-F354 HydrophobicContact CB-CZ 3.54Å; F321-F354 AromaticContact CD1-CE2 3.84Å; F321-F354 HydrophobicContact CD1-CE2 3.84Å; F321-F354 AromaticContact CD1-CZ 3.79Å; F321-F354 HydrophobicContact CD1-CZ 3.79Å; F321-F354 AromaticContact CD2-CZ 3.93Å; F321-F354 HydrophobicContact CD2-CZ 3.93Å; F321-F354 HydrophobicContact CE1-CE1 4.42Å; F321-F354 AromaticContact CE1-CE2 3.87Å; F321-F354 HydrophobicContact CE1-CE2 3.87Å; F321-F354 AromaticContact CE1-CZ 3.77Å; F321-F354 HydrophobicContact CE1-CZ 3.77Å; F321-F354 HydrophobicContact CE2-CE1 4.19Å; F321-F354 AromaticContact CE2-CZ 3.93Å; F321-F354 HydrophobicContact CE2-CZ 3.93Å; F321-F354 HydrophobicContact CG-CE2 4.3Å; F321-F354 AromaticContact CG-CZ 3.86Å; F321-F354 HydrophobicContact CG-CZ 3.86Å; F321-F354 HydrophobicContact CZ-CE1 4.12Å; F321-F354 HydrophobicContact CZ-CE2 4.38Å; F321-F354 AromaticContact CZ-CZ 3.85Å; F321-F354 HydrophobicContact CZ-CZ 3.85Å; L324-F354 HydrophobicContact CD1-CD2 3.77Å; L324-F354 HydrophobicContact CD1-CE2 3.59Å; T350-F354 HydrophobicContact CG2-CD2 4.04Å; T350-F354 HydrophobicContact CG2-CE2 3.76Å; T350-F354 HydrophobicContact CG2-CZ 4.35Å; T350-F354 PolarHBondContact O-N 2.88Å; M351-F354 PolarHBondContact O-N 2.67Å; F354-Q356 VanDerWaalsContact C-N 3.3Å; F354-Q356 PolarHBondContact O-N 3.18Å; F354-L357 HydrophobicContact CD1-CD1 4.05Å; F354-L357 PolarHBondContact O-N 3.17Å; F354-A358 PolarHBondContact O-N 3.19Å; F354-F369 HydrophobicContact CD1-CE2 4.4Å; F354-F369 AromaticContact CD1-CZ 3.74Å; F354-F369 HydrophobicContact CD1-CZ 3.74Å; F354-F369 HydrophobicContact CE1-CE2 4.05Å; F354-F369 AromaticContact CE1-CZ 3.82Å; F354-F369 HydrophobicContact CE1-CZ 3.82Å; F354-M373 HydrophobicContact CB-CE 4.27Å; F354-M373 HydrophobicContact CB-SD 3.88Å; F354-M373 HydrophobicContact CD2-CE 4.14Å; F354-M373 HydrophobicContact CD2-SD 3.49Å; F354-M373 WeakPolarHBondContact CD2-SD 3.3Å; F354-M373 HydrophobicContact CE2-SD 4.13Å; F354-M373 HydrophobicContact CG-SD 3.79Å |
| 355 | H | 91.5 | Very high | 88.2 | Confident | 33 Ų | 33 | 29.6 Ų | 29.6 | 15% | 0.153 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -56.3 | -46.6 | 171 | 175.2 | -104.4 | 0 | 0 | 0 | 111.4 | M351 L357 A358 V359 T397 H400 | M351-H355 WeakPolarHBondContact O-CB 3.44Å; M351-H355 PolarHBondContact O-N 3.28Å; H355-L357 VanDerWaalsContact C-N 3.34Å; H355-L357 PolarHBondContact O-N 2.98Å; H355-A358 WeakPolarHBondContact O-CB 3.26Å; H355-A358 PolarHBondContact O-N 2.52Å; H355-V359 VanDerWaalsContact O-CG2 3.32Å; H355-V359 WeakPolarHBondContact O-CG2 3.15Å; H355-V359 PolarHBondContact O-N 3.41Å; H355-T397 WeakPolarHBondContact CA-OG1 3.47Å; H355-T397 WeakPolarHBondContact CB-OG1 3.3Å; H355-H400 AromaticContact CD2-CD2 3.99Å; H355-H400 AromaticContact NE2-CD2 3.41Å; H355-H400 PolarHBondContact NE2-CD2 3.39Å; H355-H400 AromaticContact NE2-NE2 3.85Å |
| 356 | Q | 91.8 | Very high | 87.8 | Confident | 14 Ų | 14 | 29.8 Ų | 29.8 | 7% | 0.065 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -67.6 | -33.9 | -179.8 | -171.3 | 58.6 | 50.7 | 0 | 0 | 112.7 | Y273 I276 R352 L353 F354 S360 | Y273-Q356 HydrophobicContact CD2-CB 3.49Å; Y273-Q356 VanDerWaalsContact CD2-CB 3.49Å; Y273-Q356 HydrophobicContact CD2-CG 3.58Å; Y273-Q356 HydrophobicContact CE2-CB 3.64Å; Y273-Q356 HydrophobicContact CE2-CG 3.67Å; Y273-Q356 HydrophobicContact CG-CG 4.33Å; Y273-Q356 PolarHBondContact OH-OE1 3.46Å; I276-Q356 HydrophobicContact CB-CG 3.94Å; I276-Q356 HydrophobicContact CD1-CB 4.4Å; I276-Q356 HydrophobicContact CD1-CG 4.21Å; I276-Q356 HydrophobicContact CG2-CG 3.71Å; R352-Q356 WeakPolarHBondContact O-CB 3.49Å; R352-Q356 PolarHBondContact O-N 3.22Å; L353-Q356 PolarHBondContact O-N 3.49Å; F354-Q356 VanDerWaalsContact C-N 3.3Å; F354-Q356 PolarHBondContact O-N 3.18Å; Q356-S360 WeakPolarHBondContact O-CB 3.38Å; Q356-S360 PolarHBondContact O-N 3.31Å |
| 357 | L | 90.4 | Very high | 87.1 | Confident | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.2 | -43.7 | 170.1 | -77.1 | 169.1 | 0 | 0 | 0 | 111.3 | I276 L310 I313 V314 L353 F354 H355 S360 I365 F369 | I276-L357 HydrophobicContact CD1-CD2 3.59Å; I276-L357 HydrophobicContact CD1-CG 3.65Å; I276-L357 HydrophobicContact CG1-CD2 4.08Å; L310-L357 HydrophobicContact CD2-CD2 4.43Å; I313-L357 HydrophobicContact CB-CD2 4.43Å; I313-L357 HydrophobicContact CG2-CD1 3.96Å; I313-L357 HydrophobicContact CG2-CD2 3.93Å; I313-L357 HydrophobicContact CG2-CG 4.39Å; V314-L357 HydrophobicContact CG2-CD2 4.23Å; L353-L357 HydrophobicContact CG-CD1 4.49Å; L353-L357 WeakPolarHBondContact O-CG 3.35Å; L353-L357 PolarHBondContact O-N 2.91Å; F354-L357 HydrophobicContact CD1-CD1 4.05Å; F354-L357 PolarHBondContact O-N 3.17Å; H355-L357 VanDerWaalsContact C-N 3.34Å; H355-L357 PolarHBondContact O-N 2.98Å; L357-S360 WeakPolarHBondContact O-CB 3.39Å; L357-S360 PolarHBondContact O-N 3.46Å; L357-S360 VanDerWaalsContact O-N 3.13Å; L357-S360 PolarHBondContact O-OG 3.42Å; L357-I365 HydrophobicContact CB-CD1 4.3Å; L357-I365 WeakPolarHBondContact O-CD1 3.33Å; L357-F369 HydrophobicContact CD1-CZ 4.33Å |
| 358 | A | 86.5 | Confident | 86.8 | Confident | 4 Ų | 4 | 38.2 Ų | 38.2 | 3% | 0.033 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.3 | -47.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | F354 H355 S360 N361 T397 H400 L401 | F354-A358 PolarHBondContact O-N 3.19Å; H355-A358 WeakPolarHBondContact O-CB 3.26Å; H355-A358 PolarHBondContact O-N 2.52Å; A358-S360 PolarHBondContact O-N 3.4Å; A358-N361 PolarHBondContact O-N 2.93Å; A358-T397 HydrophobicContact CB-CG2 4.21Å; A358-H400 HydrophobicContact CB-CB 3.91Å; A358-L401 HydrophobicContact CB-CD2 3.73Å; A358-L401 HydrophobicContact CB-CG 3.73Å |
| 359 | V | 84.4 | Confident | 86.6 | Confident | 41 Ų | 41 | 38.5 Ų | 38.5 | 25% | 0.248 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.6 | -29.8 | 175.4 | 173.5 | 0 | 0 | 0 | 0 | 112.2 | H355 N361 H400 | H355-V359 VanDerWaalsContact O-CG2 3.32Å; H355-V359 WeakPolarHBondContact O-CG2 3.15Å; H355-V359 PolarHBondContact O-N 3.41Å; V359-N361 PolarHBondContact O-N 3.3Å; V359-H400 HydrophobicContact CG2-CB 4.32Å |
| 360 | S | 81.8 | Confident | 86.3 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -10 | -178.3 | 76.7 | 0 | 0 | 0 | 0 | 114.2 | R283 Q356 L357 A358 A362 | R283-S360 PolarHBondContact NH1-O 2.85Å; Q356-S360 WeakPolarHBondContact O-CB 3.38Å; Q356-S360 PolarHBondContact O-N 3.31Å; L357-S360 WeakPolarHBondContact O-CB 3.39Å; L357-S360 PolarHBondContact O-N 3.46Å; L357-S360 VanDerWaalsContact O-N 3.13Å; L357-S360 PolarHBondContact O-OG 3.42Å; A358-S360 PolarHBondContact O-N 3.4Å; S360-A362 PolarHBondContact O-N 3.21Å; S360-A362 PolarHBondContact OG-N 3.25Å |
| 361 | N | 73.8 | Confident | 85.9 | Confident | 38 Ų | 38 | 42.9 Ų | 42.9 | 20% | 0.203 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.7 | 38.1 | -173.4 | -61.8 | -38.1 | 0 | 0 | 0 | 112.5 | A358 V359 R363 E406 | A358-N361 PolarHBondContact O-N 2.93Å; V359-N361 PolarHBondContact O-N 3.3Å; N361-R363 PolarHBondContact O-N 3.29Å; N361-E406 PolarHBondContact ND2-OE1 2.98Å |
| 362 | A | 76.1 | Confident | 85.8 | Confident | 8 Ų | 8 | 46.5 Ų | 46.5 | 7% | 0.066 | 22% | 0.218 | C | C | . | . | trans | -60.3 | 125.6 | -180 | 0 | 0 | 0 | 0 | 0 | 110.2 | L310 S360 E364 I365 | L310-A362 HydrophobicContact CB-CB 4.08Å; L310-A362 HydrophobicContact CD1-CB 4.09Å; L310-A362 HydrophobicContact CG-CB 4.48Å; S360-A362 PolarHBondContact O-N 3.21Å; S360-A362 PolarHBondContact OG-N 3.25Å; A362-E364 PolarHBondContact O-N 3.23Å; A362-I365 HydrophobicContact CB-CD1 3.99Å; A362-I365 HydrophobicContact CB-CG1 4.05Å; A362-I365 WeakPolarHBondContact O-CB 3.31Å; A362-I365 PolarHBondContact O-N 3.24Å | ||
| 363 | R | 73.8 | Confident | 85.8 | Confident | 206 Ų | 206 | 42.8 Ų | 42.8 | 78% | 0.777 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -18.7 | -177.4 | -67.4 | -177.6 | 177.5 | -174.8 | -1.7 | 112.7 | N361 I365 | N361-R363 PolarHBondContact O-N 3.29Å; R363-I365 VanDerWaalsContact C-N 3.27Å |
| 364 | E | 80.9 | Confident | 85.7 | Confident | 57 Ų | 57 | 43.7 Ų | 43.7 | 27% | 0.266 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | -11.9 | 178.9 | -58 | 83 | -177 | 0 | 0 | 112.5 | C307 V314 A362 D366 | C307-E364 WeakPolarHBondContact CB-OE1 3.46Å; V314-E364 HydrophobicContact CB-CB 4.22Å; V314-E364 HydrophobicContact CG1-CB 4.29Å; V314-E364 WeakPolarHBondContact CG1-O 3.29Å; V314-E364 HydrophobicContact CG2-CB 4.33Å; A362-E364 PolarHBondContact O-N 3.23Å; E364-D366 PolarHBondContact O-N 3.13Å |
| 365 | I | 80.8 | Confident | 85.6 | Confident | 34 Ų | 34 | 49.1 Ų | 49.1 | 17% | 0.174 | 23% | 0.232 | C | C | . | . | trans | -69 | 99.1 | 169.1 | -64.9 | 171.6 | 0 | 0 | 0 | 107.6 | V314 L357 A362 R363 F369 A370 L401 | V314-I365 HydrophobicContact CG2-CG1 4.07Å; L357-I365 HydrophobicContact CB-CD1 4.3Å; L357-I365 WeakPolarHBondContact O-CD1 3.33Å; A362-I365 HydrophobicContact CB-CD1 3.99Å; A362-I365 HydrophobicContact CB-CG1 4.05Å; A362-I365 WeakPolarHBondContact O-CB 3.31Å; A362-I365 PolarHBondContact O-N 3.24Å; R363-I365 VanDerWaalsContact C-N 3.27Å; I365-F369 HydrophobicContact CB-CD1 4.47Å; I365-F369 HydrophobicContact CG1-CD1 4.37Å; I365-F369 HydrophobicContact CG1-CE1 4.34Å; I365-F369 HydrophobicContact CG2-CB 4.49Å; I365-F369 HydrophobicContact CG2-CD1 3.63Å; I365-F369 HydrophobicContact CG2-CE1 4.17Å; I365-F369 HydrophobicContact CG2-CG 4.27Å; I365-A370 HydrophobicContact CG2-CB 4.46Å; I365-L401 HydrophobicContact CG2-CD2 4.19Å | ||
| 366 | D | 82.1 | Confident | 85.8 | Confident | 87 Ų | 87 | 47.6 Ų | 47.6 | 47% | 0.465 | 23% | 0.225 | S | C | . | . | trans | -89.6 | 173.6 | 178.2 | 65.8 | 5.7 | 0 | 0 | 0 | 112.1 | E364 P368 F369 A370 | E364-D366 PolarHBondContact O-N 3.13Å; D366-P368 WeakPolarHBondContact OD1-CD 3.37Å; D366-F369 PolarHBondContact O-N 3.02Å; D366-F369 VanDerWaalsContact OD1-CB 3.25Å; D366-F369 WeakPolarHBondContact OD1-CB 3.27Å; D366-F369 PolarHBondContact OD1-N 2.61Å; D366-A370 WeakPolarHBondContact O-CB 3.31Å; D366-A370 PolarHBondContact O-N 3.39Å | ||
| 367 | E | 80.8 | Confident | 85.9 | Confident | 99 Ų | 99 | 47 Ų | 47 | 46% | 0.463 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -55.7 | -48.2 | 176.3 | 169 | 175.5 | -150.8 | 0 | 0 | 112.3 | F369 A370 E371 I420 | E367-F369 PolarHBondContact O-N 3.39Å; E367-A370 PolarHBondContact O-N 2.98Å; E367-A370 VanDerWaalsContact O-N 3.12Å; E367-E371 HydrophobicContact CG-CG 4.29Å; E367-E371 WeakPolarHBondContact O-CB 3.33Å; E367-E371 WeakPolarHBondContact O-CG 3.32Å; E367-E371 PolarHBondContact O-N 2.95Å; E367-I420 HydrophobicContact CB-CD1 4Å; E367-I420 HydrophobicContact CG-CD1 3.76Å; E367-I420 WeakPolarHBondContact OE1-CD1 3.22Å |
| 368 | P | 87.4 | Confident | 86 | Confident | 78 Ų | 78 | 48.6 Ų | 48.6 | 51% | 0.506 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -55.1 | -42.8 | 174.6 | -28.2 | 33.1 | 0 | 0 | 0 | 115 | D366 R372 | D366-P368 WeakPolarHBondContact OD1-CD 3.37Å; P368-R372 WeakPolarHBondContact O-CB 3.04Å; P368-R372 PolarHBondContact O-N 3.32Å; P368-R372 VanDerWaalsContact O-N 3.12Å |
| 369 | F | 89.9 | Confident | 86.3 | Confident | 15 Ų | 15 | 50.8 Ų | 50.8 | 7% | 0.066 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.9 | -48.5 | 175.5 | 179.7 | -75.9 | 0 | 0 | 0 | 110.5 | V314 A317 F321 F354 L357 I365 D366 E367 R372 M373 | V314-F369 HydrophobicContact CG1-CD2 3.95Å; V314-F369 HydrophobicContact CG1-CE2 4.3Å; A317-F369 HydrophobicContact CB-CD2 3.91Å; A317-F369 HydrophobicContact CB-CE2 3.5Å; A317-F369 VanDerWaalsContact CB-CE2 3.5Å; F321-F369 AromaticContact CE2-CD2 3.69Å; F321-F369 HydrophobicContact CE2-CD2 3.69Å; F321-F369 AromaticContact CE2-CE2 3.72Å; F321-F369 HydrophobicContact CE2-CE2 3.72Å; F321-F369 HydrophobicContact CE2-CG 4.27Å; F321-F369 HydrophobicContact CE2-CZ 4.31Å; F321-F369 HydrophobicContact CZ-CD1 4.25Å; F321-F369 AromaticContact CZ-CD2 3.92Å; F321-F369 HydrophobicContact CZ-CD2 3.92Å; F321-F369 HydrophobicContact CZ-CE1 4.18Å; F321-F369 AromaticContact CZ-CE2 3.86Å; F321-F369 HydrophobicContact CZ-CE2 3.86Å; F321-F369 HydrophobicContact CZ-CG 4.13Å; F321-F369 AromaticContact CZ-CZ 3.98Å; F321-F369 HydrophobicContact CZ-CZ 3.98Å; F354-F369 HydrophobicContact CD1-CE2 4.4Å; F354-F369 AromaticContact CD1-CZ 3.74Å; F354-F369 HydrophobicContact CD1-CZ 3.74Å; F354-F369 HydrophobicContact CE1-CE2 4.05Å; F354-F369 AromaticContact CE1-CZ 3.82Å; F354-F369 HydrophobicContact CE1-CZ 3.82Å; L357-F369 HydrophobicContact CD1-CZ 4.33Å; I365-F369 HydrophobicContact CB-CD1 4.47Å; I365-F369 HydrophobicContact CG1-CD1 4.37Å; I365-F369 HydrophobicContact CG1-CE1 4.34Å; I365-F369 HydrophobicContact CG2-CB 4.49Å; I365-F369 HydrophobicContact CG2-CD1 3.63Å; I365-F369 HydrophobicContact CG2-CE1 4.17Å; I365-F369 HydrophobicContact CG2-CG 4.27Å; D366-F369 PolarHBondContact O-N 3.02Å; D366-F369 VanDerWaalsContact OD1-CB 3.25Å; D366-F369 WeakPolarHBondContact OD1-CB 3.27Å; D366-F369 PolarHBondContact OD1-N 2.61Å; E367-F369 PolarHBondContact O-N 3.39Å; F369-R372 PolarHBondContact O-N 2.92Å; F369-M373 PolarHBondContact O-N 2.69Å |
| 370 | A | 86.1 | Confident | 86.6 | Confident | 2 Ų | 2 | 48.8 Ų | 48.8 | 2% | 0.017 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -70.1 | -38.8 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | I365 D366 E367 R372 M373 F374 F417 | I365-A370 HydrophobicContact CG2-CB 4.46Å; D366-A370 WeakPolarHBondContact O-CB 3.31Å; D366-A370 PolarHBondContact O-N 3.39Å; E367-A370 PolarHBondContact O-N 2.98Å; E367-A370 VanDerWaalsContact O-N 3.12Å; A370-R372 PolarHBondContact O-N 3.14Å; A370-M373 PolarHBondContact O-N 3.29Å; A370-F374 WeakPolarHBondContact O-CB 3.32Å; A370-F374 PolarHBondContact O-N 3.18Å; A370-F417 HydrophobicContact CB-CB 4.21Å; A370-F417 HydrophobicContact CB-CD1 4.34Å; A370-F417 HydrophobicContact CB-CD2 3.15Å; A370-F417 HydrophobicContact CB-CE2 3.38Å; A370-F417 HydrophobicContact CB-CG 3.65Å; A370-F417 HydrophobicContact CB-CZ 4.04Å; A370-F417 WeakPolarHBondContact O-CE2 3.24Å; A370-F417 WeakPolarHBondContact O-CZ 3.27Å |
| 371 | E | 88 | Confident | 87.1 | Confident | 103 Ų | 103 | 48.9 Ų | 48.9 | 48% | 0.481 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -59.9 | -43.7 | 171.2 | -74.7 | -174.3 | 159 | 0 | 0 | 112 | E367 M373 F374 K375 | E367-E371 HydrophobicContact CG-CG 4.29Å; E367-E371 WeakPolarHBondContact O-CB 3.33Å; E367-E371 WeakPolarHBondContact O-CG 3.32Å; E367-E371 PolarHBondContact O-N 2.95Å; E371-M373 VanDerWaalsContact C-N 3.33Å; E371-M373 PolarHBondContact O-N 3.48Å; E371-F374 WeakPolarHBondContact O-CB 3.43Å; E371-F374 PolarHBondContact O-N 3.44Å; E371-K375 PolarHBondContact O-N 3.17Å |
| 372 | R | 92.4 | Very high | 87.8 | Confident | 76 Ų | 76 | 51.1 Ų | 51.1 | 29% | 0.287 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -65.3 | -39.9 | 177 | -165.9 | 172.7 | -174.6 | -168.3 | -3.6 | 111.3 | F321 E325 P368 F369 A370 K375 I376 | F321-R372 HydrophobicContact CD1-CB 4.39Å; F321-R372 HydrophobicContact CD1-CG 3.74Å; F321-R372 HydrophobicContact CD2-CG 4.43Å; F321-R372 HydrophobicContact CE1-CB 4.08Å; F321-R372 HydrophobicContact CE1-CG 3.95Å; F321-R372 HydrophobicContact CG-CG 4.01Å; F321-R372 HydrophobicContact CZ-CB 4.19Å; F321-R372 HydrophobicContact CZ-CG 4.36Å; E325-R372 IonicContact OE1-CZ 3.25Å; E325-R372 VanDerWaalsContact OE1-CZ 3.25Å; E325-R372 IonicContact OE1-NE 2.76Å; E325-R372 PolarHBondContact OE1-NE 3.05Å; E325-R372 IonicContact OE1-NH2 2.92Å; E325-R372 PolarHBondContact OE1-NH2 3.05Å; E325-R372 IonicContact OE2-CZ 3.88Å; E325-R372 IonicContact OE2-NH2 2.83Å; E325-R372 PolarHBondContact OE2-NH2 2.8Å; P368-R372 WeakPolarHBondContact O-CB 3.04Å; P368-R372 PolarHBondContact O-N 3.32Å; P368-R372 VanDerWaalsContact O-N 3.12Å; F369-R372 PolarHBondContact O-N 2.92Å; A370-R372 PolarHBondContact O-N 3.14Å; R372-K375 PolarHBondContact O-N 3.19Å; R372-I376 WeakPolarHBondContact O-CG1 3.41Å; R372-I376 PolarHBondContact O-N 2.9Å; R372-I376 VanDerWaalsContact O-N 3.15Å |
| 373 | M | 93.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -65.2 | -40 | 174.1 | -167.7 | 65.7 | -143.3 | 0 | 0 | 112 | F321 M351 F354 F369 A370 E371 K375 I376 I377 T397 L401 | F321-M373 HydrophobicContact CE1-CB 4.08Å; F321-M373 HydrophobicContact CE1-SD 3.99Å; F321-M373 HydrophobicContact CZ-CB 4.35Å; M351-M373 HydrophobicContact CE-CE 3.85Å; M351-M373 HydrophobicContact SD-CE 3.83Å; F354-M373 HydrophobicContact CB-CE 4.27Å; F354-M373 HydrophobicContact CB-SD 3.88Å; F354-M373 HydrophobicContact CD2-CE 4.14Å; F354-M373 HydrophobicContact CD2-SD 3.49Å; F354-M373 WeakPolarHBondContact CD2-SD 3.3Å; F354-M373 HydrophobicContact CE2-SD 4.13Å; F354-M373 HydrophobicContact CG-SD 3.79Å; F369-M373 PolarHBondContact O-N 2.69Å; A370-M373 PolarHBondContact O-N 3.29Å; E371-M373 VanDerWaalsContact C-N 3.33Å; E371-M373 PolarHBondContact O-N 3.48Å; M373-K375 VanDerWaalsContact C-N 3.32Å; M373-K375 PolarHBondContact O-N 3.25Å; M373-I376 HydrophobicContact CE-CB 4.43Å; M373-I376 HydrophobicContact CE-CG2 3.96Å; M373-I376 WeakPolarHBondContact O-CB 3.34Å; M373-I376 PolarHBondContact O-N 3.49Å; M373-I377 HydrophobicContact CE-CD1 3.99Å; M373-I377 HydrophobicContact CE-CG1 3.76Å; M373-I377 HydrophobicContact CG-CD1 4.08Å; M373-I377 WeakPolarHBondContact O-CG1 3.47Å; M373-I377 PolarHBondContact O-N 3.28Å; M373-T397 HydrophobicContact CE-CG2 4.01Å; M373-T397 HydrophobicContact CG-CG2 4.2Å; M373-L401 HydrophobicContact CB-CD1 4.09Å; M373-L401 HydrophobicContact CG-CD1 3.77Å |
| 374 | F | 93 | Very high | 89 | Confident | 20 Ų | 20 | 44.6 Ų | 44.6 | 9% | 0.088 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57.1 | -46.9 | 174.6 | -170.3 | -117.3 | 0 | 0 | 0 | 111.3 | A370 E371 I376 I377 T378 L398 F417 L421 E426 I427 F430 | A370-F374 WeakPolarHBondContact O-CB 3.32Å; A370-F374 PolarHBondContact O-N 3.18Å; E371-F374 WeakPolarHBondContact O-CB 3.43Å; E371-F374 PolarHBondContact O-N 3.44Å; F374-I376 VanDerWaalsContact C-N 3.35Å; F374-I376 PolarHBondContact O-N 2.93Å; F374-I377 WeakPolarHBondContact O-CB 3.36Å; F374-I377 PolarHBondContact O-N 2.87Å; F374-I377 VanDerWaalsContact O-N 3.13Å; F374-T378 PolarHBondContact O-N 3.31Å; F374-T378 PolarHBondContact O-OG1 3.36Å; F374-T378 VanDerWaalsContact O-OG1 3.14Å; F374-L398 HydrophobicContact CD2-CD1 3.89Å; F374-L398 HydrophobicContact CE2-CD1 4.19Å; F374-L398 HydrophobicContact CE2-CD2 4.45Å; F374-F417 HydrophobicContact CB-CE2 4.41Å; F374-F417 HydrophobicContact CB-CZ 3.95Å; F374-F417 HydrophobicContact CD2-CZ 4.33Å; F374-F417 HydrophobicContact CG-CZ 4.4Å; F374-L421 HydrophobicContact CD1-CD2 3.94Å; F374-L421 HydrophobicContact CD2-CD1 3.85Å; F374-L421 HydrophobicContact CD2-CD2 4.18Å; F374-L421 HydrophobicContact CE1-CD2 4.04Å; F374-L421 HydrophobicContact CE2-CD1 3.9Å; F374-L421 HydrophobicContact CE2-CD2 4.28Å; F374-L421 HydrophobicContact CG-CD1 4.44Å; F374-L421 HydrophobicContact CG-CD2 4.02Å; F374-L421 HydrophobicContact CZ-CD2 4.21Å; F374-E426 HydrophobicContact CE1-CB 4.06Å; F374-I427 HydrophobicContact CE2-CD1 4.01Å; F374-I427 HydrophobicContact CZ-CD1 4.42Å; F374-F430 HydrophobicContact CE2-CD1 4.17Å; F374-F430 HydrophobicContact CE2-CG 4.47Å; F374-F430 HydrophobicContact CZ-CB 3.84Å; F374-F430 HydrophobicContact CZ-CD1 4.21Å; F374-F430 HydrophobicContact CZ-CG 4.09Å |
| 375 | K | 93.4 | Very high | 89.2 | Confident | 116 Ų | 116 | 43.2 Ų | 43.2 | 50% | 0.504 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -58.4 | -45.3 | 176.8 | -175.4 | -177.4 | 174.7 | -171.7 | 0 | 112.2 | E371 R372 M373 I377 T378 E379 | E371-K375 PolarHBondContact O-N 3.17Å; R372-K375 PolarHBondContact O-N 3.19Å; M373-K375 VanDerWaalsContact C-N 3.32Å; M373-K375 PolarHBondContact O-N 3.25Å; K375-I377 VanDerWaalsContact C-N 3.32Å; K375-I377 PolarHBondContact O-N 3.22Å; K375-T378 PolarHBondContact O-N 3.03Å; K375-E379 WeakPolarHBondContact CE-OE1 3.45Å; K375-E379 WeakPolarHBondContact O-CG 3.4Å; K375-E379 PolarHBondContact O-N 3.2Å |
| 376 | I | 94.5 | Very high | 89.4 | Confident | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.2 | -43.9 | 175.2 | -70.4 | -57.8 | 0 | 0 | 0 | 111.1 | F321 L324 E325 H328 M351 R372 M373 F374 E379 A380 | F321-I376 HydrophobicContact CD1-CG1 4.15Å; L324-I376 HydrophobicContact CB-CD1 3.82Å; L324-I376 HydrophobicContact CB-CG1 4.4Å; L324-I376 HydrophobicContact CB-CG2 4.23Å; L324-I376 HydrophobicContact CD1-CG2 3.66Å; E325-I376 HydrophobicContact CG-CD1 3.7Å; H328-I376 PolarHBondContact CE1-O 3.38Å; H328-I376 VanDerWaalsContact CE1-O 3.29Å; M351-I376 HydrophobicContact SD-CG2 4.2Å; R372-I376 WeakPolarHBondContact O-CG1 3.41Å; R372-I376 PolarHBondContact O-N 2.9Å; R372-I376 VanDerWaalsContact O-N 3.15Å; M373-I376 HydrophobicContact CE-CB 4.43Å; M373-I376 HydrophobicContact CE-CG2 3.96Å; M373-I376 WeakPolarHBondContact O-CB 3.34Å; M373-I376 PolarHBondContact O-N 3.49Å; F374-I376 VanDerWaalsContact C-N 3.35Å; F374-I376 PolarHBondContact O-N 2.93Å; I376-E379 PolarHBondContact O-N 2.93Å; I376-A380 WeakPolarHBondContact O-CB 3.42Å; I376-A380 PolarHBondContact O-N 3.3Å |
| 377 | I | 93.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.4 | -46.9 | 178.7 | -70.8 | 168.4 | 0 | 0 | 0 | 110.6 | M373 F374 K375 E379 A380 F381 A394 T397 L398 F430 | M373-I377 HydrophobicContact CE-CD1 3.99Å; M373-I377 HydrophobicContact CE-CG1 3.76Å; M373-I377 HydrophobicContact CG-CD1 4.08Å; M373-I377 WeakPolarHBondContact O-CG1 3.47Å; M373-I377 PolarHBondContact O-N 3.28Å; F374-I377 WeakPolarHBondContact O-CB 3.36Å; F374-I377 PolarHBondContact O-N 2.87Å; F374-I377 VanDerWaalsContact O-N 3.13Å; K375-I377 VanDerWaalsContact C-N 3.32Å; K375-I377 PolarHBondContact O-N 3.22Å; I377-E379 PolarHBondContact O-N 3.24Å; I377-A380 WeakPolarHBondContact O-CB 3.35Å; I377-A380 PolarHBondContact O-N 3.2Å; I377-A380 VanDerWaalsContact O-N 3.1Å; I377-F381 HydrophobicContact CG2-CD2 4.04Å; I377-F381 HydrophobicContact CG2-CE2 4.06Å; I377-F381 WeakPolarHBondContact O-CD2 3.32Å; I377-F381 PolarHBondContact O-N 3.46Å; I377-A394 HydrophobicContact CG1-CB 4.23Å; I377-A394 HydrophobicContact CG2-CB 4.17Å; I377-T397 HydrophobicContact CD1-CG2 4.27Å; I377-L398 HydrophobicContact CD1-CB 3.96Å; I377-L398 HydrophobicContact CG2-CB 4.48Å; I377-L398 HydrophobicContact CG2-CD2 4.33Å; I377-F430 HydrophobicContact CG2-CZ 4.44Å |
| 378 | T | 93.4 | Very high | 90 | Very high | 36 Ų | 36 | 39.1 Ų | 39.1 | 22% | 0.221 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.5 | -46.5 | 177 | -60 | 0 | 0 | 0 | 0 | 111.7 | F374 K375 A380 F381 D382 F430 | F374-T378 PolarHBondContact O-N 3.31Å; F374-T378 PolarHBondContact O-OG1 3.36Å; F374-T378 VanDerWaalsContact O-OG1 3.14Å; K375-T378 PolarHBondContact O-N 3.03Å; T378-A380 VanDerWaalsContact C-N 3.28Å; T378-A380 PolarHBondContact O-N 3.25Å; T378-F381 PolarHBondContact O-N 2.85Å; T378-D382 PolarHBondContact O-N 3.12Å; T378-D382 VanDerWaalsContact O-N 3.12Å; T378-F430 HydrophobicContact CG2-CD2 3.83Å; T378-F430 HydrophobicContact CG2-CE2 4.12Å |
| 379 | E | 92.1 | Very high | 89.9 | Confident | 49 Ų | 49 | 38.4 Ų | 38.4 | 23% | 0.229 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.4 | -33.6 | 176 | -72.8 | 175.4 | -178 | 0 | 0 | 112.6 | H328 K375 I376 I377 R383 | H328-E379 WeakPolarHBondContact CB-OE2 3.45Å; H328-E379 IonicContact CE1-OE2 2.78Å; H328-E379 IonicContact CG-OE2 2.74Å; H328-E379 VanDerWaalsContact ND1-CB 3.31Å; H328-E379 WeakPolarHBondContact ND1-CB 3.24Å; H328-E379 IonicContact ND1-OE2 3.45Å; H328-E379 PolarHBondContact ND1-OE2 3.44Å; K375-E379 WeakPolarHBondContact CE-OE1 3.45Å; K375-E379 WeakPolarHBondContact O-CG 3.4Å; K375-E379 PolarHBondContact O-N 3.2Å; I376-E379 PolarHBondContact O-N 2.93Å; I377-E379 PolarHBondContact O-N 3.24Å; E379-R383 VanDerWaalsContact O-CB 3.31Å; E379-R383 WeakPolarHBondContact O-CB 3.39Å; E379-R383 WeakPolarHBondContact O-CG 3.29Å; E379-R383 PolarHBondContact O-N 2.83Å |
| 380 | A | 91.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -68.9 | -38.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | I376 I377 T378 Y384 V390 A394 | I376-A380 WeakPolarHBondContact O-CB 3.42Å; I376-A380 PolarHBondContact O-N 3.3Å; I377-A380 WeakPolarHBondContact O-CB 3.35Å; I377-A380 PolarHBondContact O-N 3.2Å; I377-A380 VanDerWaalsContact O-N 3.1Å; T378-A380 VanDerWaalsContact C-N 3.28Å; T378-A380 PolarHBondContact O-N 3.25Å; A380-Y384 HydrophobicContact CB-CD2 4.27Å; A380-Y384 WeakPolarHBondContact O-CA 3.4Å; A380-Y384 WeakPolarHBondContact O-CB 3.12Å; A380-Y384 PolarHBondContact O-N 2.84Å; A380-V390 HydrophobicContact CB-CG1 3.89Å; A380-A394 HydrophobicContact CB-CB 4.48Å |
| 381 | F | 91.8 | Very high | 90.1 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 0% | 0.004 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.1 | -41 | 175 | -92.1 | -101.7 | 0 | 0 | 0 | 112.5 | I377 T378 C385 L391 A394 F430 V434 F454 I455 I458 | I377-F381 HydrophobicContact CG2-CD2 4.04Å; I377-F381 HydrophobicContact CG2-CE2 4.06Å; I377-F381 WeakPolarHBondContact O-CD2 3.32Å; I377-F381 PolarHBondContact O-N 3.46Å; T378-F381 PolarHBondContact O-N 2.85Å; F381-C385 WeakPolarHBondContact O-CA 3.45Å; F381-C385 WeakPolarHBondContact O-CB 3.25Å; F381-C385 PolarHBondContact O-N 3.45Å; F381-L391 HydrophobicContact CB-CD2 4.31Å; F381-L391 HydrophobicContact CD1-CD2 3.78Å; F381-L391 HydrophobicContact CD2-CD2 3.94Å; F381-L391 HydrophobicContact CE1-CD2 4.04Å; F381-L391 HydrophobicContact CE2-CD2 4.21Å; F381-L391 HydrophobicContact CG-CD2 3.74Å; F381-L391 HydrophobicContact CZ-CD2 4.25Å; F381-A394 HydrophobicContact CD2-CB 4.4Å; F381-A394 HydrophobicContact CE2-CB 4.04Å; F381-F430 HydrophobicContact CB-CE2 3.92Å; F381-F430 HydrophobicContact CB-CZ 4.08Å; F381-F430 HydrophobicContact CD1-CZ 4.12Å; F381-F430 HydrophobicContact CD2-CE2 4.38Å; F381-F430 AromaticContact CD2-CZ 3.72Å; F381-F430 HydrophobicContact CD2-CZ 3.72Å; F381-F430 HydrophobicContact CE2-CZ 4.12Å; F381-F430 HydrophobicContact CG-CE2 4.08Å; F381-F430 AromaticContact CG-CZ 3.71Å; F381-F430 HydrophobicContact CG-CZ 3.71Å; F381-V434 HydrophobicContact CB-CG2 4.11Å; F381-V434 HydrophobicContact CD1-CG1 3.97Å; F381-V434 HydrophobicContact CD1-CG2 4.04Å; F381-V434 HydrophobicContact CG-CG2 4.38Å; F381-F454 HydrophobicContact CE1-CB 4.09Å; F381-F454 HydrophobicContact CZ-CB 4.04Å; F381-I455 HydrophobicContact CE1-CB 4.06Å; F381-I455 HydrophobicContact CE1-CD1 4.14Å; F381-I455 HydrophobicContact CZ-CD1 4.49Å; F381-I458 HydrophobicContact CZ-CD1 4.12Å |
| 382 | D | 88.7 | Confident | 90.2 | Very high | 85 Ų | 85 | 35.9 Ų | 35.9 | 46% | 0.455 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -66.2 | -53.2 | 176 | 174 | 47.7 | 0 | 0 | 0 | 111.4 | T378 | T378-D382 PolarHBondContact O-N 3.12Å; T378-D382 VanDerWaalsContact O-N 3.12Å |
| 383 | R | 86.4 | Confident | 90.1 | Very high | 64 Ų | 64 | 32.9 Ų | 32.9 | 24% | 0.242 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -79.1 | -32.5 | -171.1 | -69.4 | -179.8 | 170 | -121.5 | -1.8 | 114.9 | H328 E379 | H328-R383 VanDerWaalsContact C-CZ 3.45Å; H328-R383 PolarHBondContact O-NE 3.26Å; H328-R383 PolarHBondContact O-NH1 3.22Å; H328-R383 PolarHBondContact O-NH2 3.41Å; E379-R383 VanDerWaalsContact O-CB 3.31Å; E379-R383 WeakPolarHBondContact O-CB 3.39Å; E379-R383 WeakPolarHBondContact O-CG 3.29Å; E379-R383 PolarHBondContact O-N 2.83Å |
| 384 | Y | 88.1 | Confident | 90 | Very high | 14 Ų | 14 | 32.9 Ų | 32.9 | 6% | 0.055 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.2 | 35.6 | -172.9 | -50.5 | -64.5 | 0 | 0 | 0 | 111.3 | H328 G339 P341 Y347 A380 T386 N387 V390 L391 | H328-Y384 AromaticContact CD2-CE2 3.7Å; H328-Y384 AromaticContact NE2-CE2 3.65Å; G339-Y384 WeakPolarHBondContact O-CD1 3.39Å; P341-Y384 HydrophobicContact CB-CE1 4.07Å; P341-Y384 HydrophobicContact CB-CE2 4.29Å; Y347-Y384 HydrophobicContact CE2-CE2 4.3Å; A380-Y384 HydrophobicContact CB-CD2 4.27Å; A380-Y384 WeakPolarHBondContact O-CA 3.4Å; A380-Y384 WeakPolarHBondContact O-CB 3.12Å; A380-Y384 PolarHBondContact O-N 2.84Å; Y384-T386 PolarHBondContact O-N 3.02Å; Y384-N387 PolarHBondContact O-N 2.95Å; Y384-V390 HydrophobicContact CD2-CG1 3.77Å; Y384-V390 HydrophobicContact CD2-CG2 4.37Å; Y384-V390 HydrophobicContact CG-CG1 4.22Å; Y384-V390 HydrophobicContact CG-CG2 4.29Å; Y384-L391 WeakPolarHBondContact O-CD1 3.48Å |
| 385 | C | 86.6 | Confident | 90 | Very high | 27 Ų | 27 | 32.3 Ų | 32.3 | 18% | 0.182 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -17.1 | -174.9 | 66.5 | 0 | 0 | 0 | 0 | 115.1 | F381 P449 A450 S451 | F381-C385 WeakPolarHBondContact O-CA 3.45Å; F381-C385 WeakPolarHBondContact O-CB 3.25Å; F381-C385 PolarHBondContact O-N 3.45Å; C385-P449 HydrophobicContact CB-CB 4.35Å; C385-P449 WeakPolarHBondContact O-CB 3.33Å; C385-A450 PolarHBondContact O-N 2.83Å; C385-S451 PolarHBondContact O-N 3.09Å |
| 386 | T | 85.3 | Confident | 89.7 | Confident | 38 Ų | 38 | 29.5 Ų | 29.5 | 23% | 0.233 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106 | -7 | 175.5 | 56.6 | 0 | 0 | 0 | 0 | 114.3 | Y384 C388 Y441 P449 | Y384-T386 PolarHBondContact O-N 3.02Å; T386-C388 PolarHBondContact O-N 3.5Å; T386-Y441 HydrophobicContact CG2-CE2 4.35Å; T386-P449 HydrophobicContact CG2-CB 4.45Å |
| 387 | N | 86.8 | Confident | 89.5 | Confident | 28 Ų | 28 | 29.5 Ų | 29.5 | 15% | 0.15 | 16% | 0.155 | C | C | . | . | trans | -90.8 | 96.4 | -179.1 | -172.1 | -33.8 | 0 | 0 | 0 | 111.1 | G339 Y384 Y389 V390 L391 | G339-N387 VanDerWaalsContact O-CB 3.28Å; G339-N387 WeakPolarHBondContact O-CB 3.39Å; G339-N387 PolarHBondContact O-ND2 3.15Å; Y384-N387 PolarHBondContact O-N 2.95Å; N387-Y389 PolarHBondContact O-N 3.4Å; N387-Y389 VanDerWaalsContact O-N 3.09Å; N387-Y389 WeakPolarHBondContact OD1-CB 3.36Å; N387-Y389 PolarHBondContact OD1-N 3.19Å; N387-V390 HydrophobicContact CB-CB 4.26Å; N387-V390 HydrophobicContact CB-CG2 4.13Å; N387-V390 PolarHBondContact O-N 3.26Å; N387-V390 PolarHBondContact OD1-N 3.45Å; N387-V390 VanDerWaalsContact OD1-N 3.11Å; N387-L391 WeakPolarHBondContact O-CB 3.11Å; N387-L391 WeakPolarHBondContact O-CD1 3.32Å; N387-L391 VanDerWaalsContact O-CG 3.25Å; N387-L391 WeakPolarHBondContact O-CG 3.47Å; N387-L391 PolarHBondContact O-N 2.81Å; N387-L391 VanDerWaalsContact O-N 3.08Å | ||
| 388 | C | 87.7 | Confident | 89.2 | Confident | 69 Ų | 69 | 29.5 Ų | 29.5 | 47% | 0.466 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -55.7 | -31 | -179.9 | -55 | 0 | 0 | 0 | 0 | 113.6 | T386 N392 F454 | T386-C388 PolarHBondContact O-N 3.5Å; C388-N392 WeakPolarHBondContact O-CB 3.29Å; C388-N392 PolarHBondContact O-N 3.36Å; C388-F454 HydrophobicContact CB-CE2 3.8Å; C388-F454 HydrophobicContact CB-CZ 4.02Å; C388-F454 WeakPolarHBondContact O-CZ 3.15Å |
| 389 | Y | 85.7 | Confident | 88.8 | Confident | 63 Ų | 63 | 30.1 Ų | 30.1 | 25% | 0.247 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -77.8 | -40.7 | -175.2 | -169.4 | -88.4 | 0 | 0 | 0 | 112.4 | F348 R352 N387 L393 W591 | F348-Y389 HydrophobicContact CB-CE1 4.26Å; F348-Y389 AromaticContact CD1-CD1 3.57Å; F348-Y389 HydrophobicContact CD1-CD1 3.57Å; F348-Y389 AromaticContact CD1-CE1 3.45Å; F348-Y389 HydrophobicContact CD1-CE1 3.45Å; F348-Y389 VanDerWaalsContact CD1-CE1 3.45Å; F348-Y389 HydrophobicContact CD2-CD1 4.26Å; F348-Y389 HydrophobicContact CD2-CE1 4.08Å; F348-Y389 AromaticContact CE1-CD1 3.3Å; F348-Y389 HydrophobicContact CE1-CD1 3.3Å; F348-Y389 AromaticContact CE1-CE1 3.73Å; F348-Y389 HydrophobicContact CE1-CE1 3.73Å; F348-Y389 HydrophobicContact CE1-CG 4.49Å; F348-Y389 HydrophobicContact CE2-CD1 4Å; F348-Y389 HydrophobicContact CE2-CE1 4.29Å; F348-Y389 HydrophobicContact CG-CD1 4.08Å; F348-Y389 AromaticContact CG-CE1 3.67Å; F348-Y389 HydrophobicContact CG-CE1 3.67Å; F348-Y389 AromaticContact CZ-CD1 3.53Å; F348-Y389 HydrophobicContact CZ-CD1 3.53Å; F348-Y389 HydrophobicContact CZ-CE1 4.14Å; R352-Y389 VanDerWaalsContact CZ-OH 3.26Å; R352-Y389 PolarHBondContact NE-OH 3.46Å; R352-Y389 VanDerWaalsContact NE-OH 3.13Å; R352-Y389 PolarHBondContact NH2-OH 2.95Å; N387-Y389 PolarHBondContact O-N 3.4Å; N387-Y389 VanDerWaalsContact O-N 3.09Å; N387-Y389 WeakPolarHBondContact OD1-CB 3.36Å; N387-Y389 PolarHBondContact OD1-N 3.19Å; Y389-L393 HydrophobicContact CD1-CD1 4.1Å; Y389-L393 HydrophobicContact CE1-CD1 3.57Å; Y389-L393 HydrophobicContact CE1-CG 4.48Å; Y389-L393 PolarHBondContact O-N 3.4Å; Y389-W591 HydrophobicContact CE2-CH2 4.41Å; Y389-W591 AromaticContact CE2-CZ2 3.7Å; Y389-W591 HydrophobicContact CE2-CZ2 3.7Å |
| 390 | V | 88.8 | Confident | 88.3 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.7 | -49.8 | 171 | 175.7 | 0 | 0 | 0 | 0 | 109.9 | P341 Y347 F348 A380 Y384 N387 N392 L393 A394 | P341-V390 HydrophobicContact CG-CG2 4.23Å; Y347-V390 HydrophobicContact CE1-CG1 4.08Å; Y347-V390 HydrophobicContact CE1-CG2 4.13Å; F348-V390 HydrophobicContact CE1-CB 4.28Å; F348-V390 HydrophobicContact CE1-CG2 3.43Å; F348-V390 VanDerWaalsContact CE1-CG2 3.43Å; F348-V390 HydrophobicContact CZ-CG2 3.6Å; A380-V390 HydrophobicContact CB-CG1 3.89Å; Y384-V390 HydrophobicContact CD2-CG1 3.77Å; Y384-V390 HydrophobicContact CD2-CG2 4.37Å; Y384-V390 HydrophobicContact CG-CG1 4.22Å; Y384-V390 HydrophobicContact CG-CG2 4.29Å; N387-V390 HydrophobicContact CB-CB 4.26Å; N387-V390 HydrophobicContact CB-CG2 4.13Å; N387-V390 PolarHBondContact O-N 3.26Å; N387-V390 PolarHBondContact OD1-N 3.45Å; N387-V390 VanDerWaalsContact OD1-N 3.11Å; V390-N392 VanDerWaalsContact C-N 3.34Å; V390-N392 PolarHBondContact O-N 2.72Å; V390-L393 PolarHBondContact O-N 2.87Å; V390-A394 WeakPolarHBondContact O-CB 3.22Å; V390-A394 PolarHBondContact O-N 3.14Å |
| 391 | L | 91.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.9 | -37.4 | -176.4 | -65.3 | 169 | 0 | 0 | 0 | 112.2 | F381 Y384 N387 A394 S395 A450 F454 | F381-L391 HydrophobicContact CB-CD2 4.31Å; F381-L391 HydrophobicContact CD1-CD2 3.78Å; F381-L391 HydrophobicContact CD2-CD2 3.94Å; F381-L391 HydrophobicContact CE1-CD2 4.04Å; F381-L391 HydrophobicContact CE2-CD2 4.21Å; F381-L391 HydrophobicContact CG-CD2 3.74Å; F381-L391 HydrophobicContact CZ-CD2 4.25Å; Y384-L391 WeakPolarHBondContact O-CD1 3.48Å; N387-L391 WeakPolarHBondContact O-CB 3.11Å; N387-L391 WeakPolarHBondContact O-CD1 3.32Å; N387-L391 VanDerWaalsContact O-CG 3.25Å; N387-L391 WeakPolarHBondContact O-CG 3.47Å; N387-L391 PolarHBondContact O-N 2.81Å; N387-L391 VanDerWaalsContact O-N 3.08Å; L391-A394 PolarHBondContact O-N 2.98Å; L391-S395 WeakPolarHBondContact O-CB 3.18Å; L391-S395 PolarHBondContact O-N 2.87Å; L391-A450 HydrophobicContact CD1-CB 3.79Å; L391-F454 HydrophobicContact CB-CB 4.13Å; L391-F454 HydrophobicContact CB-CD1 4.45Å; L391-F454 HydrophobicContact CB-CD2 3.49Å; L391-F454 VanDerWaalsContact CB-CD2 3.49Å; L391-F454 HydrophobicContact CB-CE2 4.03Å; L391-F454 HydrophobicContact CB-CG 3.75Å; L391-F454 HydrophobicContact CD1-CD2 3.98Å; L391-F454 HydrophobicContact CG-CD2 4.4Å |
| 392 | N | 90.2 | Very high | 86.9 | Confident | 66 Ų | 66 | 30.8 Ų | 30.8 | 35% | 0.353 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -61.4 | -49.7 | 174.1 | -173.4 | 56.5 | 0 | 0 | 0 | 111.6 | C388 V390 A394 S395 L396 F454 | C388-N392 WeakPolarHBondContact O-CB 3.29Å; C388-N392 PolarHBondContact O-N 3.36Å; V390-N392 VanDerWaalsContact C-N 3.34Å; V390-N392 PolarHBondContact O-N 2.72Å; N392-A394 PolarHBondContact O-N 3.13Å; N392-S395 PolarHBondContact O-N 3.02Å; N392-L396 WeakPolarHBondContact O-CB 3.32Å; N392-L396 VanDerWaalsContact O-CG 3.25Å; N392-L396 WeakPolarHBondContact O-CG 3.13Å; N392-L396 PolarHBondContact O-N 3.23Å; N392-F454 HydrophobicContact CB-CD1 4.31Å; N392-F454 HydrophobicContact CB-CE1 3.53Å; N392-F454 HydrophobicContact CB-CZ 3.94Å |
| 393 | L | 89.4 | Confident | 85.7 | Confident | 13 Ų | 13 | 27.3 Ų | 27.3 | 7% | 0.068 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.1 | -42.4 | 177.9 | -75.8 | 170.6 | 0 | 0 | 0 | 112 | F348 M351 R352 Y389 V390 T397 | F348-L393 HydrophobicContact CD1-CD1 3.78Å; F348-L393 HydrophobicContact CE1-CD1 4.44Å; M351-L393 HydrophobicContact CB-CB 4.38Å; M351-L393 HydrophobicContact CB-CD1 4.11Å; M351-L393 HydrophobicContact CE-CB 4.43Å; R352-L393 HydrophobicContact CG-CD1 4.27Å; R352-L393 HydrophobicContact CG-CD2 4.01Å; Y389-L393 HydrophobicContact CD1-CD1 4.1Å; Y389-L393 HydrophobicContact CE1-CD1 3.57Å; Y389-L393 HydrophobicContact CE1-CG 4.48Å; Y389-L393 PolarHBondContact O-N 3.4Å; V390-L393 PolarHBondContact O-N 2.87Å; L393-T397 WeakPolarHBondContact O-CB 3.22Å; L393-T397 PolarHBondContact O-N 3.42Å; L393-T397 PolarHBondContact O-OG1 2.63Å |
| 394 | A | 92.4 | Very high | 84.2 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.3 | -45.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | M351 I377 A380 F381 V390 L391 N392 T397 L398 | M351-A394 HydrophobicContact CE-CB 4.05Å; I377-A394 HydrophobicContact CG1-CB 4.23Å; I377-A394 HydrophobicContact CG2-CB 4.17Å; A380-A394 HydrophobicContact CB-CB 4.48Å; F381-A394 HydrophobicContact CD2-CB 4.4Å; F381-A394 HydrophobicContact CE2-CB 4.04Å; V390-A394 WeakPolarHBondContact O-CB 3.22Å; V390-A394 PolarHBondContact O-N 3.14Å; L391-A394 PolarHBondContact O-N 2.98Å; N392-A394 PolarHBondContact O-N 3.13Å; A394-T397 PolarHBondContact O-N 3.4Å; A394-L398 PolarHBondContact O-N 2.97Å |
| 395 | S | 90.9 | Very high | 82.2 | Confident | 8 Ų | 8 | 29.5 Ų | 29.5 | 6% | 0.056 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.8 | -48.1 | 178.2 | -177.9 | 0 | 0 | 0 | 0 | 112 | L391 N392 T397 L398 M399 F454 I458 | L391-S395 WeakPolarHBondContact O-CB 3.18Å; L391-S395 PolarHBondContact O-N 2.87Å; N392-S395 PolarHBondContact O-N 3.02Å; S395-T397 VanDerWaalsContact C-N 3.32Å; S395-T397 PolarHBondContact O-N 3.4Å; S395-L398 PolarHBondContact O-N 3.46Å; S395-M399 WeakPolarHBondContact O-CB 3.45Å; S395-M399 VanDerWaalsContact O-CG 3.28Å; S395-M399 WeakPolarHBondContact O-CG 3.4Å; S395-M399 PolarHBondContact O-N 3.48Å; S395-F454 PolarHBondContact OG-O 3.45Å; S395-I458 WeakPolarHBondContact OG-CD1 3.18Å |
| 396 | L | 88.1 | Confident | 80 | Confident | 57 Ų | 57 | 32.4 Ų | 32.4 | 30% | 0.298 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -62.3 | -41.5 | 177.5 | -70.2 | 172.4 | 0 | 0 | 0 | 111.3 | N392 L398 M399 H400 | N392-L396 WeakPolarHBondContact O-CB 3.32Å; N392-L396 VanDerWaalsContact O-CG 3.25Å; N392-L396 WeakPolarHBondContact O-CG 3.13Å; N392-L396 PolarHBondContact O-N 3.23Å; L396-L398 PolarHBondContact O-N 2.66Å; L396-M399 PolarHBondContact O-N 3.27Å; L396-H400 PolarHBondContact O-CD2 2.93Å; L396-H400 VanDerWaalsContact O-CD2 3.22Å; L396-H400 PolarHBondContact O-N 3.42Å |
| 397 | T | 89.8 | Confident | 77.6 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.006 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.3 | -44.2 | 177.2 | -53.8 | 0 | 0 | 0 | 0 | 111 | H355 A358 M373 I377 L393 A394 S395 H400 L401 | H355-T397 WeakPolarHBondContact CA-OG1 3.47Å; H355-T397 WeakPolarHBondContact CB-OG1 3.3Å; A358-T397 HydrophobicContact CB-CG2 4.21Å; M373-T397 HydrophobicContact CE-CG2 4.01Å; M373-T397 HydrophobicContact CG-CG2 4.2Å; I377-T397 HydrophobicContact CD1-CG2 4.27Å; L393-T397 WeakPolarHBondContact O-CB 3.22Å; L393-T397 PolarHBondContact O-N 3.42Å; L393-T397 PolarHBondContact O-OG1 2.63Å; A394-T397 PolarHBondContact O-N 3.4Å; S395-T397 VanDerWaalsContact C-N 3.32Å; S395-T397 PolarHBondContact O-N 3.4Å; T397-H400 PolarHBondContact O-N 3.14Å; T397-L401 HydrophobicContact CG2-CD1 4.09Å; T397-L401 HydrophobicContact CG2-CG 4.44Å; T397-L401 WeakPolarHBondContact O-CB 3.2Å; T397-L401 VanDerWaalsContact O-CG 3.31Å; T397-L401 WeakPolarHBondContact O-CG 3.4Å; T397-L401 PolarHBondContact O-N 2.9Å |
| 398 | L | 88.8 | Confident | 74.8 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.3 | -45.1 | 176.6 | -174.2 | 55.7 | 0 | 0 | 0 | 111.7 | F374 I377 A394 S395 L396 L401 S402 F417 L421 I427 F430 I458 | F374-L398 HydrophobicContact CD2-CD1 3.89Å; F374-L398 HydrophobicContact CE2-CD1 4.19Å; F374-L398 HydrophobicContact CE2-CD2 4.45Å; I377-L398 HydrophobicContact CD1-CB 3.96Å; I377-L398 HydrophobicContact CG2-CB 4.48Å; I377-L398 HydrophobicContact CG2-CD2 4.33Å; A394-L398 PolarHBondContact O-N 2.97Å; S395-L398 PolarHBondContact O-N 3.46Å; L396-L398 PolarHBondContact O-N 2.66Å; L398-L401 PolarHBondContact O-N 3.39Å; L398-S402 VanDerWaalsContact O-CB 3.22Å; L398-S402 WeakPolarHBondContact O-CB 3.45Å; L398-S402 PolarHBondContact O-N 3.37Å; L398-S402 PolarHBondContact O-OG 2.88Å; L398-F417 HydrophobicContact CD1-CE1 4.05Å; L398-L421 HydrophobicContact CD1-CD1 4.36Å; L398-I427 HydrophobicContact CD2-CD1 4.11Å; L398-F430 HydrophobicContact CD2-CE1 4.01Å; L398-I458 HydrophobicContact CD2-CD1 3.93Å; L398-I458 HydrophobicContact CD2-CG1 4.42Å; L398-I458 HydrophobicContact CD2-CG2 3.97Å |
| 399 | M | 83.8 | Confident | 72.1 | Confident | 48 Ų | 48 | 41.2 Ų | 41.2 | 24% | 0.236 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.3 | -46.5 | 179.1 | -74.2 | -67.5 | -62.9 | 0 | 0 | 111.7 | S395 L396 S402 C403 I458 K461 | S395-M399 WeakPolarHBondContact O-CB 3.45Å; S395-M399 VanDerWaalsContact O-CG 3.28Å; S395-M399 WeakPolarHBondContact O-CG 3.4Å; S395-M399 PolarHBondContact O-N 3.48Å; L396-M399 PolarHBondContact O-N 3.27Å; M399-S402 PolarHBondContact O-N 3.09Å; M399-S402 VanDerWaalsContact O-N 3.12Å; M399-C403 PolarHBondContact O-N 3.22Å; M399-I458 HydrophobicContact CG-CG1 4.18Å; M399-I458 HydrophobicContact SD-CB 4.49Å; M399-I458 HydrophobicContact SD-CG1 4.07Å; M399-K461 HydrophobicContact CE-CB 3.81Å; M399-K461 HydrophobicContact CE-CD 4.28Å; M399-K461 HydrophobicContact CE-CG 3.7Å; M399-K461 HydrophobicContact SD-CB 3.95Å; M399-K461 HydrophobicContact SD-CG 4.19Å |
| 400 | H | 81.5 | Confident | 69.6 | Low | 46 Ų | 46 | 44.1 Ų | 44.1 | 21% | 0.213 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -69.7 | -35.8 | 177.9 | -78.2 | -64.2 | 0 | 0 | 0 | 113.4 | H355 A358 V359 L396 T397 S402 | H355-H400 AromaticContact CD2-CD2 3.99Å; H355-H400 AromaticContact NE2-CD2 3.41Å; H355-H400 PolarHBondContact NE2-CD2 3.39Å; H355-H400 AromaticContact NE2-NE2 3.85Å; A358-H400 HydrophobicContact CB-CB 3.91Å; V359-H400 HydrophobicContact CG2-CB 4.32Å; L396-H400 PolarHBondContact O-CD2 2.93Å; L396-H400 VanDerWaalsContact O-CD2 3.22Å; L396-H400 PolarHBondContact O-N 3.42Å; T397-H400 PolarHBondContact O-N 3.14Å; H400-S402 PolarHBondContact O-N 3.42Å |
| 401 | L | 79 | Confident | 67.3 | Low | 12 Ų | 12 | 54.2 Ų | 54.2 | 6% | 0.063 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.7 | -23.9 | 171.4 | -74.4 | 175.5 | 0 | 0 | 0 | 112.1 | A358 I365 M373 T397 L398 T415 F417 | A358-L401 HydrophobicContact CB-CD2 3.73Å; A358-L401 HydrophobicContact CB-CG 3.73Å; I365-L401 HydrophobicContact CG2-CD2 4.19Å; M373-L401 HydrophobicContact CB-CD1 4.09Å; M373-L401 HydrophobicContact CG-CD1 3.77Å; T397-L401 HydrophobicContact CG2-CD1 4.09Å; T397-L401 HydrophobicContact CG2-CG 4.44Å; T397-L401 WeakPolarHBondContact O-CB 3.2Å; T397-L401 VanDerWaalsContact O-CG 3.31Å; T397-L401 WeakPolarHBondContact O-CG 3.4Å; T397-L401 PolarHBondContact O-N 2.9Å; L398-L401 PolarHBondContact O-N 3.39Å; L401-T415 VanDerWaalsContact O-CB 3.28Å; L401-T415 WeakPolarHBondContact O-CB 3.09Å; L401-T415 VanDerWaalsContact O-CG2 3.31Å; L401-T415 WeakPolarHBondContact O-CG2 3.15Å; L401-T415 PolarHBondContact O-OG1 3.01Å; L401-F417 HydrophobicContact CB-CD1 3.74Å; L401-F417 HydrophobicContact CB-CE1 3.8Å; L401-F417 HydrophobicContact CD1-CE1 4.31Å; L401-F417 WeakPolarHBondContact O-CD1 3.1Å |
| 402 | S | 74.6 | Confident | 65.3 | Low | 7 Ų | 7 | 59.2 Ų | 59.2 | 5% | 0.049 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -95.3 | -28.6 | -174.7 | -58.5 | 0 | 0 | 0 | 0 | 113.8 | L398 M399 H400 T415 I418 | L398-S402 VanDerWaalsContact O-CB 3.22Å; L398-S402 WeakPolarHBondContact O-CB 3.45Å; L398-S402 PolarHBondContact O-N 3.37Å; L398-S402 PolarHBondContact O-OG 2.88Å; M399-S402 PolarHBondContact O-N 3.09Å; M399-S402 VanDerWaalsContact O-N 3.12Å; H400-S402 PolarHBondContact O-N 3.42Å; S402-T415 WeakPolarHBondContact CA-OG1 3.24Å; S402-T415 PolarHBondContact O-N 2.96Å; S402-T415 PolarHBondContact O-OG1 3.31Å; S402-I418 WeakPolarHBondContact O-CB 3.44Å; S402-I418 WeakPolarHBondContact O-CG2 3.49Å |
| 403 | C | 64.9 | Low | 63.5 | Low | 12 Ų | 12 | 63 Ų | 63 | 8% | 0.081 | 35% | 0.349 | C | S | . | . | B | Isolated β-bridge | trans | -126.4 | 124.8 | -175.2 | -58.9 | 0 | 0 | 0 | 0 | 110.3 | M399 K461 | M399-C403 PolarHBondContact O-N 3.22Å; C403-K461 WeakPolarHBondContact SG-CE 3.23Å |
| 404 | S | 54.2 | Low | 62.1 | Low | 25 Ų | 25 | 65.8 Ų | 65.8 | 18% | 0.175 | 36% | 0.363 | C | S | . | . | trans | -75.9 | 135.3 | 169.7 | 72.5 | 0 | 0 | 0 | 0 | 109.9 | E413 | S404-E413 WeakPolarHBondContact CB-O 3.25Å; S404-E413 PolarHBondContact N-O 3.45Å; S404-E413 PolarHBondContact OG-O 2.9Å | ||
| 405 | T | 46.4 | Very low | 60.8 | Low | 98 Ų | 98 | 66.8 Ų | 66.8 | 60% | 0.601 | 37% | 0.369 | S | S | * | . | trans | -100.5 | 15.7 | 177.1 | 54 | 0 | 0 | 0 | 0 | 113 | ||||
| 406 | E | 40.1 | Very low | 59.6 | Low | 89 Ų | 89 | 71.8 Ų | 71.8 | 42% | 0.416 | 40% | 0.401 | S | S | . | . | trans | -108.7 | 118.5 | -174.6 | -81.4 | 177.4 | -148.3 | 0 | 0 | 112.7 | R283 N361 | R283-E406 IonicContact CZ-OE1 2.63Å; R283-E406 IonicContact NH1-OE1 2.72Å; R283-E406 IonicContact NH2-OE1 3.81Å; R283-E406 PolarHBondContact NH2-OE1 3.11Å; N361-E406 PolarHBondContact ND2-OE1 2.98Å | ||
| 407 | G | 36 | Very low | 59 | Low | 70 Ų | 70 | 69.7 Ų | 69.7 | 72% | 0.722 | 39% | 0.39 | S | S | * | . | S | Bend | trans | 121.5 | 129 | 151.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 408 | D | 28 | Very low | 58.1 | Low | 156 Ų | 156 | 69.9 Ų | 69.9 | 83% | 0.834 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -35.5 | 135.8 | 178.6 | -74 | -41.2 | 0 | 0 | 0 | 115.9 | ||
| 409 | S | 29.8 | Very low | 57.1 | Low | 93 Ų | 93 | 70.9 Ų | 70.9 | 65% | 0.65 | 40% | 0.401 | S | S | * | . | S | Bend | trans | 72.1 | 103.8 | 160.1 | 71.5 | 0 | 0 | 0 | 0 | 118.4 | R411 | S409-R411 PolarHBondContact O-N 3.35Š|
| 410 | S | 33.9 | Very low | 56.6 | Low | 125 Ų | 125 | 70.6 Ų | 70.6 | 87% | 0.874 | 40% | 0.4 | S | S | * | . | S | Bend | trans | 75 | -7.4 | 146.6 | 75.2 | 0 | 0 | 0 | 0 | 121.3 | ||
| 411 | R | 40.3 | Very low | 56.4 | Low | 211 Ų | 211 | 68.7 Ų | 68.7 | 80% | 0.796 | 39% | 0.392 | S | S | * | . | trans | -143.2 | 116.3 | 175.8 | -73.7 | -174.6 | 168.4 | 177 | -5.6 | 112.1 | S409 E413 | S409-R411 PolarHBondContact O-N 3.35Å; R411-E413 PolarHBondContact O-N 2.96Å | ||
| 412 | E | 49.3 | Very low | 56.2 | Low | 105 Ų | 105 | 68.3 Ų | 68.3 | 49% | 0.491 | 39% | 0.39 | S | S | . | . | trans | -67.1 | 110.3 | 163.6 | -67.4 | 169.9 | 147.1 | 0 | 0 | 108 | L414 K461 | E412-L414 PolarHBondContact O-N 2.9Å; E412-K461 IonicContact OE1-NZ 2.52Å; E412-K461 PolarHBondContact OE1-NZ 3.47Å; E412-K461 WeakPolarHBondContact OE2-CE 3.35Å; E412-K461 IonicContact OE2-NZ 3.15Å; E412-K461 PolarHBondContact OE2-NZ 3.4Å | ||
| 413 | E | 52.9 | Low | 56.1 | Low | 147 Ų | 147 | 73 Ų | 73 | 69% | 0.687 | 41% | 0.413 | S | S | * | . | P | Polyproline II helix | trans | -70 | 122.1 | 173.3 | -70.1 | -170.1 | 168.8 | 0 | 0 | 108.9 | S404 R411 | S404-E413 WeakPolarHBondContact CB-O 3.25Å; S404-E413 PolarHBondContact N-O 3.45Å; S404-E413 PolarHBondContact OG-O 2.9Å; R411-E413 PolarHBondContact O-N 2.96Å |
| 414 | L | 59 | Low | 56.7 | Low | 70 Ų | 70 | 74.5 Ų | 74.5 | 37% | 0.366 | 42% | 0.424 | S | S | . | . | B | Isolated β-bridge | trans | -61.1 | 135.3 | 172.8 | -63.7 | 175 | 0 | 0 | 0 | 109.8 | E412 I418 V465 I470 | E412-L414 PolarHBondContact O-N 2.9Å; L414-I418 HydrophobicContact CB-CG2 3.62Å; L414-I418 HydrophobicContact CD2-CG2 3.75Å; L414-I418 HydrophobicContact CG-CG2 4.16Å; L414-V465 HydrophobicContact CD1-CG1 3.51Å; L414-V465 HydrophobicContact CD2-CB 4.05Å; L414-V465 HydrophobicContact CD2-CG1 3.37Å; L414-V465 HydrophobicContact CD2-CG2 3.45Å; L414-V465 VanDerWaalsContact CD2-CG2 3.45Å; L414-V465 HydrophobicContact CG-CG1 4.06Å; L414-I470 HydrophobicContact CD1-CD1 4.25Å |
| 415 | T | 65.4 | Low | 57.8 | Low | 22 Ų | 22 | 73.5 Ų | 73.5 | 14% | 0.135 | 42% | 0.418 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 152.4 | 170.6 | 65.8 | 0 | 0 | 0 | 0 | 109.7 | L401 S402 F417 I418 G419 | L401-T415 VanDerWaalsContact O-CB 3.28Å; L401-T415 WeakPolarHBondContact O-CB 3.09Å; L401-T415 VanDerWaalsContact O-CG2 3.31Å; L401-T415 WeakPolarHBondContact O-CG2 3.15Å; L401-T415 PolarHBondContact O-OG1 3.01Å; S402-T415 WeakPolarHBondContact CA-OG1 3.24Å; S402-T415 PolarHBondContact O-N 2.96Å; S402-T415 PolarHBondContact O-OG1 3.31Å; T415-F417 PolarHBondContact O-N 3.12Å; T415-F417 VanDerWaalsContact O-N 3.09Å; T415-I418 VanDerWaalsContact O-CG2 3.29Å; T415-I418 WeakPolarHBondContact O-CG2 3.32Å; T415-I418 PolarHBondContact O-N 2.94Å; T415-I418 PolarHBondContact OG1-N 3.31Å; T415-G419 PolarHBondContact O-N 3.32Å |
| 416 | P | 65 | Low | 59.7 | Low | 112 Ų | 112 | 72.6 Ų | 72.6 | 73% | 0.727 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -52.7 | -32.9 | 171.8 | -27.5 | 35.3 | 0 | 0 | 0 | 112.6 | G419 I420 | P416-G419 PolarHBondContact O-N 3.47Å; P416-I420 WeakPolarHBondContact O-CD1 3.33Å; P416-I420 WeakPolarHBondContact O-CG1 3.39Å; P416-I420 PolarHBondContact O-N 2.93Å |
| 417 | F | 75.6 | Confident | 61.9 | Low | 14 Ų | 14 | 68.3 Ų | 68.3 | 6% | 0.061 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -64 | -48 | 179.5 | 174.9 | -115 | 0 | 0 | 0 | 113.8 | A370 F374 L398 L401 T415 G419 I420 L421 | A370-F417 HydrophobicContact CB-CB 4.21Å; A370-F417 HydrophobicContact CB-CD1 4.34Å; A370-F417 HydrophobicContact CB-CD2 3.15Å; A370-F417 HydrophobicContact CB-CE2 3.38Å; A370-F417 HydrophobicContact CB-CG 3.65Å; A370-F417 HydrophobicContact CB-CZ 4.04Å; A370-F417 WeakPolarHBondContact O-CE2 3.24Å; A370-F417 WeakPolarHBondContact O-CZ 3.27Å; F374-F417 HydrophobicContact CB-CE2 4.41Å; F374-F417 HydrophobicContact CB-CZ 3.95Å; F374-F417 HydrophobicContact CD2-CZ 4.33Å; F374-F417 HydrophobicContact CG-CZ 4.4Å; L398-F417 HydrophobicContact CD1-CE1 4.05Å; L401-F417 HydrophobicContact CB-CD1 3.74Å; L401-F417 HydrophobicContact CB-CE1 3.8Å; L401-F417 HydrophobicContact CD1-CE1 4.31Å; L401-F417 WeakPolarHBondContact O-CD1 3.1Å; T415-F417 PolarHBondContact O-N 3.12Å; T415-F417 VanDerWaalsContact O-N 3.09Å; F417-G419 PolarHBondContact O-N 3.48Å; F417-I420 WeakPolarHBondContact O-CB 3.49Å; F417-I420 PolarHBondContact O-N 3.37Å; F417-I420 VanDerWaalsContact O-N 3.16Å; F417-L421 HydrophobicContact CD1-CD1 4.17Å; F417-L421 HydrophobicContact CD2-CG 4.33Å; F417-L421 HydrophobicContact CE1-CD1 3.55Å; F417-L421 HydrophobicContact CE1-CG 4.32Å; F417-L421 HydrophobicContact CE2-CD1 3.99Å; F417-L421 HydrophobicContact CE2-CD2 4.14Å; F417-L421 HydrophobicContact CE2-CG 3.94Å; F417-L421 HydrophobicContact CZ-CD1 3.47Å; F417-L421 VanDerWaalsContact CZ-CD1 3.47Å; F417-L421 HydrophobicContact CZ-CD2 4.29Å; F417-L421 HydrophobicContact CZ-CG 3.97Å; F417-L421 PolarHBondContact O-N 3.22Å |
| 418 | I | 71.3 | Confident | 64.4 | Low | 5 Ų | 5 | 65.3 Ų | 65.3 | 3% | 0.026 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -65.2 | -34 | 175.5 | -167.6 | 59.6 | 0 | 0 | 0 | 110.7 | S402 L414 T415 I420 L421 L422 | S402-I418 WeakPolarHBondContact O-CB 3.44Å; S402-I418 WeakPolarHBondContact O-CG2 3.49Å; L414-I418 HydrophobicContact CB-CG2 3.62Å; L414-I418 HydrophobicContact CD2-CG2 3.75Å; L414-I418 HydrophobicContact CG-CG2 4.16Å; T415-I418 VanDerWaalsContact O-CG2 3.29Å; T415-I418 WeakPolarHBondContact O-CG2 3.32Å; T415-I418 PolarHBondContact O-N 2.94Å; T415-I418 PolarHBondContact OG1-N 3.31Å; I418-I420 VanDerWaalsContact C-N 3.33Å; I418-I420 PolarHBondContact O-N 3.42Å; I418-L421 HydrophobicContact CD1-CB 4.44Å; I418-L421 HydrophobicContact CD1-CD1 4.48Å; I418-L421 PolarHBondContact O-N 2.93Å; I418-L422 HydrophobicContact CD1-CG 4.35Å; I418-L422 HydrophobicContact CG1-CD1 3.9Å; I418-L422 HydrophobicContact CG1-CG 4.12Å; I418-L422 VanDerWaalsContact O-CB 3.3Å; I418-L422 WeakPolarHBondContact O-CB 3.24Å; I418-L422 WeakPolarHBondContact O-CD1 3.28Å; I418-L422 WeakPolarHBondContact O-CG 3.47Å; I418-L422 PolarHBondContact O-N 3.01Å |
| 419 | G | 68 | Low | 67.3 | Low | 22 Ų | 22 | 60.8 Ų | 60.8 | 23% | 0.227 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -55.9 | -47.4 | 172 | 0 | 0 | 0 | 0 | 0 | 111.9 | T415 P416 F417 L422 I423 | T415-G419 PolarHBondContact O-N 3.32Å; P416-G419 PolarHBondContact O-N 3.47Å; F417-G419 PolarHBondContact O-N 3.48Å; G419-L422 PolarHBondContact O-N 3.13Å; G419-I423 WeakPolarHBondContact O-CB 3.5Å; G419-I423 WeakPolarHBondContact O-CD1 3.48Å; G419-I423 WeakPolarHBondContact O-CG1 3.41Å; G419-I423 PolarHBondContact O-N 2.94Å |
| 420 | I | 73.3 | Confident | 70.3 | Confident | 42 Ų | 42 | 56.6 Ų | 56.6 | 22% | 0.215 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.5 | -47 | 176.5 | -68.3 | 155.7 | 0 | 0 | 0 | 111.2 | E367 P416 F417 I418 L422 I423 S424 | E367-I420 HydrophobicContact CB-CD1 4Å; E367-I420 HydrophobicContact CG-CD1 3.76Å; E367-I420 WeakPolarHBondContact OE1-CD1 3.22Å; P416-I420 WeakPolarHBondContact O-CD1 3.33Å; P416-I420 WeakPolarHBondContact O-CG1 3.39Å; P416-I420 PolarHBondContact O-N 2.93Å; F417-I420 WeakPolarHBondContact O-CB 3.49Å; F417-I420 PolarHBondContact O-N 3.37Å; F417-I420 VanDerWaalsContact O-N 3.16Å; I418-I420 VanDerWaalsContact C-N 3.33Å; I418-I420 PolarHBondContact O-N 3.42Å; I420-L422 VanDerWaalsContact C-N 3.32Å; I420-L422 PolarHBondContact O-N 3.5Å; I420-I423 PolarHBondContact O-N 3.38Å; I420-S424 WeakPolarHBondContact O-CB 3.31Å; I420-S424 PolarHBondContact O-N 3.46Å; I420-S424 PolarHBondContact O-OG 3.33Å |
| 421 | L | 78.2 | Confident | 73.1 | Confident | 6 Ų | 6 | 50.6 Ų | 50.6 | 3% | 0.031 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.6 | -34.9 | 179.5 | -70.2 | -176.3 | 0 | 0 | 0 | 113.3 | F374 L398 F417 I418 S424 G425 E426 I427 | F374-L421 HydrophobicContact CD1-CD2 3.94Å; F374-L421 HydrophobicContact CD2-CD1 3.85Å; F374-L421 HydrophobicContact CD2-CD2 4.18Å; F374-L421 HydrophobicContact CE1-CD2 4.04Å; F374-L421 HydrophobicContact CE2-CD1 3.9Å; F374-L421 HydrophobicContact CE2-CD2 4.28Å; F374-L421 HydrophobicContact CG-CD1 4.44Å; F374-L421 HydrophobicContact CG-CD2 4.02Å; F374-L421 HydrophobicContact CZ-CD2 4.21Å; L398-L421 HydrophobicContact CD1-CD1 4.36Å; F417-L421 HydrophobicContact CD1-CD1 4.17Å; F417-L421 HydrophobicContact CD2-CG 4.33Å; F417-L421 HydrophobicContact CE1-CD1 3.55Å; F417-L421 HydrophobicContact CE1-CG 4.32Å; F417-L421 HydrophobicContact CE2-CD1 3.99Å; F417-L421 HydrophobicContact CE2-CD2 4.14Å; F417-L421 HydrophobicContact CE2-CG 3.94Å; F417-L421 HydrophobicContact CZ-CD1 3.47Å; F417-L421 VanDerWaalsContact CZ-CD1 3.47Å; F417-L421 HydrophobicContact CZ-CD2 4.29Å; F417-L421 HydrophobicContact CZ-CG 3.97Å; F417-L421 PolarHBondContact O-N 3.22Å; I418-L421 HydrophobicContact CD1-CB 4.44Å; I418-L421 HydrophobicContact CD1-CD1 4.48Å; I418-L421 PolarHBondContact O-N 2.93Å; L421-S424 WeakPolarHBondContact CA-OG 3.41Å; L421-S424 PolarHBondContact O-OG 2.9Å; L421-G425 PolarHBondContact O-N 3.44Å; L421-G425 VanDerWaalsContact O-N 3.14Å; L421-E426 HydrophobicContact CD2-CB 4.28Å; L421-E426 PolarHBondContact O-N 3.2Å; L421-I427 HydrophobicContact CB-CB 4.09Å; L421-I427 HydrophobicContact CB-CG2 4.37Å; L421-I427 HydrophobicContact CD1-CD1 4.43Å |
| 422 | L | 74.8 | Confident | 75.6 | Confident | 3 Ų | 3 | 41.3 Ų | 41.3 | 2% | 0.016 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -70.1 | -43.7 | 174.7 | -73 | 168.1 | 0 | 0 | 0 | 111.1 | I418 G419 I420 G425 I427 F428 V462 V465 V466 I470 | I418-L422 HydrophobicContact CD1-CG 4.35Å; I418-L422 HydrophobicContact CG1-CD1 3.9Å; I418-L422 HydrophobicContact CG1-CG 4.12Å; I418-L422 VanDerWaalsContact O-CB 3.3Å; I418-L422 WeakPolarHBondContact O-CB 3.24Å; I418-L422 WeakPolarHBondContact O-CD1 3.28Å; I418-L422 WeakPolarHBondContact O-CG 3.47Å; I418-L422 PolarHBondContact O-N 3.01Å; G419-L422 PolarHBondContact O-N 3.13Å; I420-L422 VanDerWaalsContact C-N 3.32Å; I420-L422 PolarHBondContact O-N 3.5Å; L422-G425 PolarHBondContact O-N 2.95Å; L422-I427 HydrophobicContact CD2-CG2 3.98Å; L422-I427 HydrophobicContact CG-CG2 4.48Å; L422-F428 HydrophobicContact CD2-CE1 4.48Å; L422-F428 HydrophobicContact CD2-CE2 3.99Å; L422-F428 HydrophobicContact CD2-CZ 3.63Å; L422-V462 HydrophobicContact CD2-CG1 4.02Å; L422-V465 HydrophobicContact CD1-CG1 3.68Å; L422-V466 HydrophobicContact CD2-CG2 4.06Å; L422-I470 HydrophobicContact CD1-CD1 3.76Å |
| 423 | I | 72.4 | Confident | 77.7 | Confident | 105 Ų | 105 | 40.5 Ų | 40.5 | 54% | 0.538 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -67.2 | -42 | 179.3 | -70.4 | 165 | 0 | 0 | 0 | 111.3 | G419 I420 G425 I473 P477 | G419-I423 WeakPolarHBondContact O-CB 3.5Å; G419-I423 WeakPolarHBondContact O-CD1 3.48Å; G419-I423 WeakPolarHBondContact O-CG1 3.41Å; G419-I423 PolarHBondContact O-N 2.94Å; I420-I423 PolarHBondContact O-N 3.38Å; I423-G425 PolarHBondContact O-N 2.93Å; I423-I473 HydrophobicContact CG1-CD1 3.96Å; I423-P477 WeakPolarHBondContact O-CG 3.48Å |
| 424 | S | 75.8 | Confident | 79.5 | Confident | 44 Ų | 44 | 33.7 Ų | 33.7 | 31% | 0.308 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -73.8 | -18.8 | 178.3 | 65.7 | 0 | 0 | 0 | 0 | 113.1 | I420 L421 E426 | I420-S424 WeakPolarHBondContact O-CB 3.31Å; I420-S424 PolarHBondContact O-N 3.46Å; I420-S424 PolarHBondContact O-OG 3.33Å; L421-S424 WeakPolarHBondContact CA-OG 3.41Å; L421-S424 PolarHBondContact O-OG 2.9Å; S424-E426 PolarHBondContact O-N 2.91Å; S424-E426 WeakPolarHBondContact OG-CG 3.4Å; S424-E426 PolarHBondContact OG-N 3.41Å |
| 425 | G | 79 | Confident | 81.1 | Confident | 5 Ų | 5 | 32.6 Ų | 32.6 | 5% | 0.052 | 18% | 0.177 | C | C | . | . | trans | 74.9 | 3.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | L421 L422 I423 I427 F428 K429 | L421-G425 PolarHBondContact O-N 3.44Å; L421-G425 VanDerWaalsContact O-N 3.14Å; L422-G425 PolarHBondContact O-N 2.95Å; I423-G425 PolarHBondContact O-N 2.93Å; G425-I427 VanDerWaalsContact C-N 3.29Å; G425-I427 PolarHBondContact O-N 3.42Å; G425-F428 PolarHBondContact O-N 3.33Å; G425-K429 PolarHBondContact O-N 3.33Å; G425-K429 VanDerWaalsContact O-N 3.14Å | ||
| 426 | E | 86 | Confident | 82.4 | Confident | 78 Ų | 78 | 35.6 Ų | 35.6 | 36% | 0.364 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -63.9 | -33 | -175.8 | -69.9 | -60.8 | 125.9 | 0 | 0 | 112.4 | F374 L421 S424 F428 K429 F430 | F374-E426 HydrophobicContact CE1-CB 4.06Å; L421-E426 HydrophobicContact CD2-CB 4.28Å; L421-E426 PolarHBondContact O-N 3.2Å; S424-E426 PolarHBondContact O-N 2.91Å; S424-E426 WeakPolarHBondContact OG-CG 3.4Å; S424-E426 PolarHBondContact OG-N 3.41Å; E426-F428 PolarHBondContact O-N 3.45Å; E426-K429 PolarHBondContact O-N 3.24Å; E426-K429 IonicContact OE1-NZ 3.83Å; E426-K429 PolarHBondContact OE1-NZ 2.66Å; E426-F430 WeakPolarHBondContact O-CB 3.5Å; E426-F430 PolarHBondContact O-N 3.31Å |
| 427 | I | 86.7 | Confident | 83.7 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66.4 | -38 | 176.1 | -167.4 | 65.8 | 0 | 0 | 0 | 112.3 | F374 L398 L421 L422 G425 F430 V431 I458 V462 | F374-I427 HydrophobicContact CE2-CD1 4.01Å; F374-I427 HydrophobicContact CZ-CD1 4.42Å; L398-I427 HydrophobicContact CD2-CD1 4.11Å; L421-I427 HydrophobicContact CB-CB 4.09Å; L421-I427 HydrophobicContact CB-CG2 4.37Å; L421-I427 HydrophobicContact CD1-CD1 4.43Å; L422-I427 HydrophobicContact CD2-CG2 3.98Å; L422-I427 HydrophobicContact CG-CG2 4.48Å; G425-I427 VanDerWaalsContact C-N 3.29Å; G425-I427 PolarHBondContact O-N 3.42Å; I427-F430 HydrophobicContact CD1-CD1 4.15Å; I427-F430 PolarHBondContact O-N 2.95Å; I427-V431 WeakPolarHBondContact O-CG2 3.37Å; I427-V431 PolarHBondContact O-N 2.98Å; I427-I458 HydrophobicContact CD1-CG2 4.26Å; I427-V462 HydrophobicContact CD1-CG2 4.45Å; I427-V462 HydrophobicContact CG1-CG2 3.61Å; I427-V462 HydrophobicContact CG2-CG1 4.3Å |
| 428 | F | 87.4 | Confident | 84.4 | Confident | 6 Ų | 6 | 32.9 Ų | 32.9 | 3% | 0.026 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -67.8 | -43.7 | 177.2 | -58.1 | -69.8 | 0 | 0 | 0 | 110.7 | L422 G425 E426 F430 V431 L432 V462 V466 L476 W485 | L422-F428 HydrophobicContact CD2-CE1 4.48Å; L422-F428 HydrophobicContact CD2-CE2 3.99Å; L422-F428 HydrophobicContact CD2-CZ 3.63Å; G425-F428 PolarHBondContact O-N 3.33Å; E426-F428 PolarHBondContact O-N 3.45Å; F428-F430 VanDerWaalsContact C-N 3.34Å; F428-F430 PolarHBondContact O-N 3.02Å; F428-V431 PolarHBondContact O-N 3.21Å; F428-L432 WeakPolarHBondContact O-CB 3.49Å; F428-L432 VanDerWaalsContact O-CG 3.24Å; F428-L432 WeakPolarHBondContact O-CG 3.45Å; F428-L432 PolarHBondContact O-N 3.37Å; F428-V462 HydrophobicContact CD1-CG1 4.13Å; F428-V462 HydrophobicContact CE1-CG1 3.57Å; F428-V462 HydrophobicContact CZ-CG1 4.14Å; F428-V466 HydrophobicContact CE1-CG2 4.2Å; F428-V466 HydrophobicContact CZ-CG2 3.86Å; F428-L476 HydrophobicContact CD2-CD2 3.65Å; F428-L476 HydrophobicContact CE2-CD2 3.23Å; F428-L476 HydrophobicContact CZ-CD2 3.87Å; F428-W485 HydrophobicContact CB-CE3 4.37Å; F428-W485 AromaticContact CD1-CD2 3.54Å; F428-W485 HydrophobicContact CD1-CD2 3.54Å; F428-W485 AromaticContact CD1-CE2 3.76Å; F428-W485 AromaticContact CD1-CE3 3.58Å; F428-W485 HydrophobicContact CD1-CE3 3.58Å; F428-W485 HydrophobicContact CD1-CG 4.09Å; F428-W485 HydrophobicContact CD1-CH2 4.01Å; F428-W485 HydrophobicContact CD1-CZ2 4Å; F428-W485 AromaticContact CD1-CZ3 3.8Å; F428-W485 HydrophobicContact CD1-CZ3 3.8Å; F428-W485 HydrophobicContact CE1-CD2 4Å; F428-W485 AromaticContact CE1-CE2 3.77Å; F428-W485 HydrophobicContact CE1-CE3 4.42Å; F428-W485 HydrophobicContact CE1-CG 4.43Å; F428-W485 HydrophobicContact CE1-CH2 4.36Å; F428-W485 AromaticContact CE1-CZ2 3.97Å; F428-W485 HydrophobicContact CE1-CZ2 3.97Å; F428-W485 HydrophobicContact CG-CE3 4.45Å |
| 429 | K | 89.3 | Confident | 85.3 | Confident | 61 Ų | 61 | 35.1 Ų | 35.1 | 27% | 0.265 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -57.4 | -48.2 | 174.9 | -68.6 | 178.4 | -167.9 | 165.6 | 0 | 111.3 | G425 E426 L432 Q433 Y481 | G425-K429 PolarHBondContact O-N 3.33Å; G425-K429 VanDerWaalsContact O-N 3.14Å; E426-K429 PolarHBondContact O-N 3.24Å; E426-K429 IonicContact OE1-NZ 3.83Å; E426-K429 PolarHBondContact OE1-NZ 2.66Å; K429-L432 PolarHBondContact O-N 2.89Å; K429-Q433 VanDerWaalsContact O-CB 3.23Å; K429-Q433 WeakPolarHBondContact O-CB 3.34Å; K429-Q433 PolarHBondContact O-N 2.9Å; K429-Y481 HydrophobicContact CD-CE1 4.38Å; K429-Y481 HydrophobicContact CG-CD1 4.1Å; K429-Y481 HydrophobicContact CG-CE1 3.58Å; K429-Y481 HydrophobicContact CG-CE2 4.37Å |
| 430 | F | 92.6 | Very high | 86.5 | Confident | 5 Ų | 5 | 40.1 Ų | 40.1 | 2% | 0.022 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.5 | -51.4 | 179.6 | 169.2 | -120.2 | 0 | 0 | 0 | 112.4 | F374 I377 T378 F381 L398 E426 I427 F428 L432 Q433 V434 I455 | F374-F430 HydrophobicContact CE2-CD1 4.17Å; F374-F430 HydrophobicContact CE2-CG 4.47Å; F374-F430 HydrophobicContact CZ-CB 3.84Å; F374-F430 HydrophobicContact CZ-CD1 4.21Å; F374-F430 HydrophobicContact CZ-CG 4.09Å; I377-F430 HydrophobicContact CG2-CZ 4.44Å; T378-F430 HydrophobicContact CG2-CD2 3.83Å; T378-F430 HydrophobicContact CG2-CE2 4.12Å; F381-F430 HydrophobicContact CB-CE2 3.92Å; F381-F430 HydrophobicContact CB-CZ 4.08Å; F381-F430 HydrophobicContact CD1-CZ 4.12Å; F381-F430 HydrophobicContact CD2-CE2 4.38Å; F381-F430 AromaticContact CD2-CZ 3.72Å; F381-F430 HydrophobicContact CD2-CZ 3.72Å; F381-F430 HydrophobicContact CE2-CZ 4.12Å; F381-F430 HydrophobicContact CG-CE2 4.08Å; F381-F430 AromaticContact CG-CZ 3.71Å; F381-F430 HydrophobicContact CG-CZ 3.71Å; L398-F430 HydrophobicContact CD2-CE1 4.01Å; E426-F430 WeakPolarHBondContact O-CB 3.5Å; E426-F430 PolarHBondContact O-N 3.31Å; I427-F430 HydrophobicContact CD1-CD1 4.15Å; I427-F430 PolarHBondContact O-N 2.95Å; F428-F430 VanDerWaalsContact C-N 3.34Å; F428-F430 PolarHBondContact O-N 3.02Å; F430-L432 PolarHBondContact O-N 3.27Å; F430-Q433 PolarHBondContact O-N 3.28Å; F430-V434 HydrophobicContact CD2-CG2 3.92Å; F430-V434 HydrophobicContact CE2-CG2 3.48Å; F430-V434 VanDerWaalsContact CE2-CG2 3.48Å; F430-V434 HydrophobicContact CZ-CG2 4.01Å; F430-V434 WeakPolarHBondContact O-CG2 3.48Å; F430-V434 PolarHBondContact O-N 3Å; F430-I455 HydrophobicContact CD1-CD1 3.96Å; F430-I455 HydrophobicContact CE1-CD1 3.36Å; F430-I455 HydrophobicContact CZ-CD1 3.77Å |
| 431 | V | 92.2 | Very high | 87.2 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.9 | -46.1 | -179.9 | 170.5 | 0 | 0 | 0 | 0 | 111.3 | I427 F428 V434 R435 I455 A459 W485 F488 | I427-V431 WeakPolarHBondContact O-CG2 3.37Å; I427-V431 PolarHBondContact O-N 2.98Å; F428-V431 PolarHBondContact O-N 3.21Å; V431-V434 PolarHBondContact O-N 2.56Å; V431-R435 WeakPolarHBondContact O-CB 3.05Å; V431-R435 PolarHBondContact O-N 3.29Å; V431-I455 HydrophobicContact CB-CG1 4.27Å; V431-I455 HydrophobicContact CG1-CG1 4.14Å; V431-I455 HydrophobicContact CG2-CD1 3.91Å; V431-I455 HydrophobicContact CG2-CG1 4.04Å; V431-A459 HydrophobicContact CG1-CB 3.68Å; V431-A459 HydrophobicContact CG2-CB 4.43Å; V431-W485 HydrophobicContact CB-CZ3 3.9Å; V431-W485 HydrophobicContact CG1-CH2 4.18Å; V431-W485 HydrophobicContact CG1-CZ3 3.65Å; V431-W485 HydrophobicContact CG2-CZ3 4.44Å; V431-F488 HydrophobicContact CG1-CE1 3.94Å; V431-F488 HydrophobicContact CG1-CZ 4.06Å |
| 432 | L | 92.8 | Very high | 87.8 | Confident | 15 Ų | 15 | 43.6 Ų | 43.6 | 8% | 0.079 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.2 | -39.7 | 179.6 | -69 | 173 | 0 | 0 | 0 | 111.8 | F428 K429 F430 R435 D436 Y481 A484 W485 F488 | F428-L432 WeakPolarHBondContact O-CB 3.49Å; F428-L432 VanDerWaalsContact O-CG 3.24Å; F428-L432 WeakPolarHBondContact O-CG 3.45Å; F428-L432 PolarHBondContact O-N 3.37Å; K429-L432 PolarHBondContact O-N 2.89Å; F430-L432 PolarHBondContact O-N 3.27Å; L432-R435 WeakPolarHBondContact O-CB 3.22Å; L432-R435 PolarHBondContact O-N 3.01Å; L432-D436 PolarHBondContact O-N 3.18Å; L432-Y481 HydrophobicContact CD1-CD1 4.34Å; L432-A484 HydrophobicContact CD1-CB 3.88Å; L432-W485 HydrophobicContact CD2-CE3 4.37Å; L432-W485 HydrophobicContact CG-CE3 4.31Å; L432-F488 HydrophobicContact CD2-CB 3.74Å; L432-F488 HydrophobicContact CD2-CD1 4.4Å; L432-F488 HydrophobicContact CD2-CG 4.02Å |
| 433 | Q | 93 | Very high | 88.7 | Confident | 89 Ų | 89 | 51.3 Ų | 51.3 | 42% | 0.416 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.4 | -51 | 175.7 | -179.7 | -177.9 | -9.7 | 0 | 0 | 111.6 | K429 F430 R435 D436 E437 | K429-Q433 VanDerWaalsContact O-CB 3.23Å; K429-Q433 WeakPolarHBondContact O-CB 3.34Å; K429-Q433 PolarHBondContact O-N 2.9Å; F430-Q433 PolarHBondContact O-N 3.28Å; Q433-R435 PolarHBondContact O-N 3.11Å; Q433-D436 PolarHBondContact O-N 2.83Å; Q433-E437 HydrophobicContact CG-CG 4.45Å; Q433-E437 VanDerWaalsContact CG-OE1 3.32Å; Q433-E437 WeakPolarHBondContact CG-OE1 3.38Å; Q433-E437 PolarHBondContact NE2-OE1 3.26Å; Q433-E437 WeakPolarHBondContact O-CB 3.43Å; Q433-E437 WeakPolarHBondContact O-CG 3.44Å; Q433-E437 PolarHBondContact O-N 3.27Å |
| 434 | V | 92.6 | Very high | 89.5 | Confident | 4 Ų | 4 | 52.1 Ų | 52.1 | 2% | 0.024 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.4 | -38 | 178.7 | 173.1 | 0 | 0 | 0 | 0 | 110.7 | F381 F430 V431 S438 I455 | F381-V434 HydrophobicContact CB-CG2 4.11Å; F381-V434 HydrophobicContact CD1-CG1 3.97Å; F381-V434 HydrophobicContact CD1-CG2 4.04Å; F381-V434 HydrophobicContact CG-CG2 4.38Å; F430-V434 HydrophobicContact CD2-CG2 3.92Å; F430-V434 HydrophobicContact CE2-CG2 3.48Å; F430-V434 VanDerWaalsContact CE2-CG2 3.48Å; F430-V434 HydrophobicContact CZ-CG2 4.01Å; F430-V434 WeakPolarHBondContact O-CG2 3.48Å; F430-V434 PolarHBondContact O-N 3Å; V431-V434 PolarHBondContact O-N 2.56Å; V434-S438 WeakPolarHBondContact O-CB 3.31Å; V434-S438 PolarHBondContact O-N 3.09Å; V434-S438 PolarHBondContact O-OG 2.9Å; V434-I455 HydrophobicContact CB-CB 4.48Å; V434-I455 HydrophobicContact CB-CG1 4.15Å; V434-I455 HydrophobicContact CG1-CB 3.89Å; V434-I455 HydrophobicContact CG1-CG1 4.12Å; V434-I455 HydrophobicContact CG1-CG2 3.85Å; V434-I455 HydrophobicContact CG2-CD1 4.46Å |
| 435 | R | 92.1 | Very high | 90.1 | Very high | 46 Ų | 46 | 54.4 Ų | 54.4 | 17% | 0.174 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64 | -48.7 | 176.4 | 175.6 | -101.4 | -173.8 | -160.4 | -8.6 | 111.9 | V431 L432 Q433 S438 E439 Y452 F488 D492 | V431-R435 WeakPolarHBondContact O-CB 3.05Å; V431-R435 PolarHBondContact O-N 3.29Å; L432-R435 WeakPolarHBondContact O-CB 3.22Å; L432-R435 PolarHBondContact O-N 3.01Å; Q433-R435 PolarHBondContact O-N 3.11Å; R435-S438 WeakPolarHBondContact O-CB 3.28Å; R435-S438 PolarHBondContact O-N 3.27Å; R435-E439 IonicContact CZ-OE1 3.67Å; R435-E439 IonicContact NE-OE1 2.72Å; R435-E439 IonicContact NH1-OE1 3.53Å; R435-E439 IonicContact NH2-OE1 3.94Å; R435-E439 PolarHBondContact NH2-OE1 3.09Å; R435-E439 PolarHBondContact O-N 3.22Å; R435-Y452 HydrophobicContact CG-CE2 4.4Å; R435-F488 HydrophobicContact CB-CE2 4.39Å; R435-F488 HydrophobicContact CG-CD2 3.88Å; R435-F488 HydrophobicContact CG-CE2 3.9Å; R435-D492 IonicContact CZ-OD2 2.79Å; R435-D492 IonicContact NE-OD2 3.25Å; R435-D492 PolarHBondContact NE-OD2 3.17Å; R435-D492 IonicContact NH2-OD1 3.46Å; R435-D492 IonicContact NH2-OD2 3.09Å; R435-D492 PolarHBondContact NH2-OD2 3.31Å |
| 436 | D | 92.3 | Very high | 90.5 | Very high | 85 Ų | 85 | 57.3 Ų | 57.3 | 46% | 0.455 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65.9 | -39.8 | -179.8 | -71.8 | -12 | 0 | 0 | 0 | 112.1 | L432 Q433 E439 K440 | L432-D436 PolarHBondContact O-N 3.18Å; Q433-D436 PolarHBondContact O-N 2.83Å; D436-E439 PolarHBondContact O-N 3.49Å; D436-K440 PolarHBondContact O-N 3.44Å |
| 437 | E | 91.2 | Very high | 90.6 | Very high | 69 Ų | 69 | 59.8 Ų | 59.8 | 32% | 0.322 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.2 | -40.7 | 173.3 | -73.2 | 171.5 | -176.4 | 0 | 0 | 111.8 | Q433 K440 Y441 | Q433-E437 HydrophobicContact CG-CG 4.45Å; Q433-E437 VanDerWaalsContact CG-OE1 3.32Å; Q433-E437 WeakPolarHBondContact CG-OE1 3.38Å; Q433-E437 PolarHBondContact NE2-OE1 3.26Å; Q433-E437 WeakPolarHBondContact O-CB 3.43Å; Q433-E437 WeakPolarHBondContact O-CG 3.44Å; Q433-E437 PolarHBondContact O-N 3.27Å; E437-K440 WeakPolarHBondContact O-CB 3.5Å; E437-K440 PolarHBondContact O-N 2.89Å; E437-Y441 WeakPolarHBondContact O-CB 3.37Å; E437-Y441 PolarHBondContact O-N 3.5Å |
| 438 | S | 91.1 | Very high | 90.7 | Very high | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.007 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.8 | -37.9 | 176.3 | -64.2 | 0 | 0 | 0 | 0 | 112.4 | V434 R435 Y441 K442 F448 P449 S451 | V434-S438 WeakPolarHBondContact O-CB 3.31Å; V434-S438 PolarHBondContact O-N 3.09Å; V434-S438 PolarHBondContact O-OG 2.9Å; R435-S438 WeakPolarHBondContact O-CB 3.28Å; R435-S438 PolarHBondContact O-N 3.27Å; S438-Y441 PolarHBondContact O-N 3.43Å; S438-K442 WeakPolarHBondContact O-CB 3.29Å; S438-K442 PolarHBondContact O-N 3.49Å; S438-F448 WeakPolarHBondContact O-CD1 3.19Å; S438-P449 WeakPolarHBondContact OG-CG 3.35Å; S438-S451 PolarHBondContact OG-OG 3Å |
| 439 | E | 91.3 | Very high | 90.7 | Very high | 51 Ų | 51 | 62.2 Ų | 62.2 | 24% | 0.238 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64 | -42 | 172.1 | -76.9 | -164.4 | 174.2 | 0 | 0 | 112.2 | R435 D436 K442 K443 F448 | R435-E439 IonicContact CZ-OE1 3.67Å; R435-E439 IonicContact NE-OE1 2.72Å; R435-E439 IonicContact NH1-OE1 3.53Å; R435-E439 IonicContact NH2-OE1 3.94Å; R435-E439 PolarHBondContact NH2-OE1 3.09Å; R435-E439 PolarHBondContact O-N 3.22Å; D436-E439 PolarHBondContact O-N 3.49Å; E439-K442 PolarHBondContact O-N 3.29Å; E439-K443 WeakPolarHBondContact O-CG 3.33Å; E439-K443 PolarHBondContact O-N 3.43Å; E439-F448 HydrophobicContact CG-CE1 4.25Å |
| 440 | K | 91.5 | Very high | 90.7 | Very high | 128 Ų | 128 | 59.9 Ų | 59.9 | 56% | 0.557 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -61.7 | -47.3 | 175.2 | -175.1 | -176.1 | 174 | -170.6 | 0 | 110.7 | D436 E437 K442 K443 E444 | D436-K440 PolarHBondContact O-N 3.44Å; E437-K440 WeakPolarHBondContact O-CB 3.5Å; E437-K440 PolarHBondContact O-N 2.89Å; K440-K442 VanDerWaalsContact C-N 3.3Å; K440-K442 PolarHBondContact O-N 3.4Å; K440-K443 WeakPolarHBondContact O-CB 3.45Å; K440-K443 PolarHBondContact O-N 2.89Å; K440-K443 VanDerWaalsContact O-N 3.14Å; K440-E444 VanDerWaalsContact CE-OE1 3.22Å; K440-E444 WeakPolarHBondContact CE-OE1 3.47Å; K440-E444 PolarHBondContact O-N 3.21Å; K440-E444 VanDerWaalsContact O-N 3.11Å |
| 441 | Y | 89.4 | Confident | 90.6 | Very high | 30 Ų | 30 | 59.9 Ų | 59.9 | 12% | 0.118 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58 | -42.9 | 175.8 | -174.7 | -83.8 | 0 | 0 | 0 | 111.7 | T386 E437 S438 K443 E444 H445 R447 P449 | T386-Y441 HydrophobicContact CG2-CE2 4.35Å; E437-Y441 WeakPolarHBondContact O-CB 3.37Å; E437-Y441 PolarHBondContact O-N 3.5Å; S438-Y441 PolarHBondContact O-N 3.43Å; Y441-K443 PolarHBondContact O-N 3.09Å; Y441-E444 PolarHBondContact O-N 3.31Å; Y441-E444 VanDerWaalsContact O-N 3.15Å; Y441-H445 HydrophobicContact CD1-CB 4.15Å; Y441-H445 AromaticContact CD1-ND1 3.99Å; Y441-H445 AromaticContact CD2-CE1 3.88Å; Y441-H445 AromaticContact CD2-ND1 3.65Å; Y441-H445 HydrophobicContact CE1-CB 3.73Å; Y441-H445 AromaticContact CE1-CG 3.8Å; Y441-H445 AromaticContact CE1-ND1 3.92Å; Y441-H445 AromaticContact CE2-CE1 3.62Å; Y441-H445 AromaticContact CE2-CG 4Å; Y441-H445 AromaticContact CE2-ND1 3.56Å; Y441-H445 AromaticContact CG-ND1 3.86Å; Y441-H445 AromaticContact CZ-CD2 3.98Å; Y441-H445 AromaticContact CZ-CG 3.66Å; Y441-H445 AromaticContact CZ-ND1 3.7Å; Y441-H445 WeakPolarHBondContact O-CB 3.25Å; Y441-H445 PolarHBondContact O-N 3.46Å; Y441-H445 PolarHBondContact O-ND1 3.25Å; Y441-H445 VanDerWaalsContact O-ND1 3.17Å; Y441-R447 WeakPolarHBondContact CD1-O 3.43Å; Y441-P449 HydrophobicContact CD1-CB 3.81Å; Y441-P449 HydrophobicContact CD1-CG 4.02Å; Y441-P449 HydrophobicContact CE1-CB 4.06Å; Y441-P449 HydrophobicContact CG-CB 4.06Å; Y441-P449 HydrophobicContact CG-CG 4.08Å |
| 442 | K | 90.7 | Very high | 90.6 | Very high | 91 Ų | 91 | 61.2 Ų | 61.2 | 40% | 0.396 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62 | -40 | 175.6 | 178.8 | 178.2 | 178.9 | 179.9 | 0 | 113.1 | S438 E439 K440 E444 G446 R447 F448 | S438-K442 WeakPolarHBondContact O-CB 3.29Å; S438-K442 PolarHBondContact O-N 3.49Å; E439-K442 PolarHBondContact O-N 3.29Å; K440-K442 VanDerWaalsContact C-N 3.3Å; K440-K442 PolarHBondContact O-N 3.4Å; K442-E444 PolarHBondContact O-N 2.99Å; K442-G446 VanDerWaalsContact O-CA 3.24Å; K442-G446 WeakPolarHBondContact O-CA 3.41Å; K442-G446 PolarHBondContact O-N 3.41Å; K442-R447 WeakPolarHBondContact CA-O 3.34Å; K442-F448 HydrophobicContact CB-CD1 3.85Å; K442-F448 HydrophobicContact CB-CE1 4.07Å; K442-F448 HydrophobicContact CB-CG 4.37Å; K442-F448 HydrophobicContact CD-CD1 3.77Å; K442-F448 HydrophobicContact CD-CD2 3.75Å; K442-F448 HydrophobicContact CD-CE1 3.52Å; K442-F448 HydrophobicContact CD-CE2 3.52Å; K442-F448 HydrophobicContact CD-CG 3.89Å; K442-F448 HydrophobicContact CD-CZ 3.4Å; K442-F448 HydrophobicContact CG-CD1 4.38Å; K442-F448 HydrophobicContact CG-CE1 4.45Å |
| 443 | K | 92.7 | Very high | 90.4 | Very high | 165 Ų | 165 | 63.7 Ų | 63.7 | 72% | 0.717 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -62.1 | -35.7 | 174.7 | -71.7 | 166.2 | -174.6 | 162.6 | 0 | 111.5 | E439 K440 Y441 | E439-K443 WeakPolarHBondContact O-CG 3.33Å; E439-K443 PolarHBondContact O-N 3.43Å; K440-K443 WeakPolarHBondContact O-CB 3.45Å; K440-K443 PolarHBondContact O-N 2.89Å; K440-K443 VanDerWaalsContact O-N 3.14Å; Y441-K443 PolarHBondContact O-N 3.09Å |
| 444 | E | 89.8 | Confident | 90.2 | Very high | 122 Ų | 122 | 61.4 Ų | 61.4 | 57% | 0.57 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -81.7 | -37 | -179.1 | -68.7 | 173.3 | -171.2 | 0 | 0 | 113.6 | K440 Y441 K442 | K440-E444 VanDerWaalsContact CE-OE1 3.22Å; K440-E444 WeakPolarHBondContact CE-OE1 3.47Å; K440-E444 PolarHBondContact O-N 3.21Å; K440-E444 VanDerWaalsContact O-N 3.11Å; Y441-E444 PolarHBondContact O-N 3.31Å; Y441-E444 VanDerWaalsContact O-N 3.15Å; K442-E444 PolarHBondContact O-N 2.99Å |
| 445 | H | 88 | Confident | 90.2 | Very high | 91 Ų | 91 | 61.2 Ų | 61.2 | 42% | 0.421 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -116 | -1.4 | -169.8 | -60.8 | 81.2 | 0 | 0 | 0 | 114.4 | Y441 R447 | Y441-H445 HydrophobicContact CD1-CB 4.15Å; Y441-H445 AromaticContact CD1-ND1 3.99Å; Y441-H445 AromaticContact CD2-CE1 3.88Å; Y441-H445 AromaticContact CD2-ND1 3.65Å; Y441-H445 HydrophobicContact CE1-CB 3.73Å; Y441-H445 AromaticContact CE1-CG 3.8Å; Y441-H445 AromaticContact CE1-ND1 3.92Å; Y441-H445 AromaticContact CE2-CE1 3.62Å; Y441-H445 AromaticContact CE2-CG 4Å; Y441-H445 AromaticContact CE2-ND1 3.56Å; Y441-H445 AromaticContact CG-ND1 3.86Å; Y441-H445 AromaticContact CZ-CD2 3.98Å; Y441-H445 AromaticContact CZ-CG 3.66Å; Y441-H445 AromaticContact CZ-ND1 3.7Å; Y441-H445 WeakPolarHBondContact O-CB 3.25Å; Y441-H445 PolarHBondContact O-N 3.46Å; Y441-H445 PolarHBondContact O-ND1 3.25Å; Y441-H445 VanDerWaalsContact O-ND1 3.17Å; H445-R447 PolarHBondContact O-N 3.14Å |
| 446 | G | 88 | Confident | 90.1 | Very high | 66 Ų | 66 | 59 Ų | 59 | 68% | 0.68 | 29% | 0.286 | S | S | * | . | S | Bend | trans | 76.7 | -3.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | K442 | K442-G446 VanDerWaalsContact O-CA 3.24Å; K442-G446 WeakPolarHBondContact O-CA 3.41Å; K442-G446 PolarHBondContact O-N 3.41Å |
| 447 | R | 87.5 | Confident | 89.8 | Confident | 131 Ų | 131 | 57.3 Ų | 57.3 | 49% | 0.494 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -142.2 | 154.5 | -179.1 | 65.4 | -178.8 | -177.7 | 179.1 | 2 | 111.4 | Y441 K442 H445 | Y441-R447 WeakPolarHBondContact CD1-O 3.43Å; K442-R447 WeakPolarHBondContact CA-O 3.34Å; H445-R447 PolarHBondContact O-N 3.14Å |
| 448 | F | 88.4 | Confident | 89.6 | Confident | 51 Ų | 51 | 54.2 Ų | 54.2 | 22% | 0.224 | 27% | 0.266 | C | S | . | . | trans | -68.4 | 148.1 | 171.5 | -75.1 | -64.9 | 0 | 0 | 0 | 111.3 | S438 E439 K442 Y452 | S438-F448 WeakPolarHBondContact O-CD1 3.19Å; E439-F448 HydrophobicContact CG-CE1 4.25Å; K442-F448 HydrophobicContact CB-CD1 3.85Å; K442-F448 HydrophobicContact CB-CE1 4.07Å; K442-F448 HydrophobicContact CB-CG 4.37Å; K442-F448 HydrophobicContact CD-CD1 3.77Å; K442-F448 HydrophobicContact CD-CD2 3.75Å; K442-F448 HydrophobicContact CD-CE1 3.52Å; K442-F448 HydrophobicContact CD-CE2 3.52Å; K442-F448 HydrophobicContact CD-CG 3.89Å; K442-F448 HydrophobicContact CD-CZ 3.4Å; K442-F448 HydrophobicContact CG-CD1 4.38Å; K442-F448 HydrophobicContact CG-CE1 4.45Å; F448-Y452 HydrophobicContact CB-CD1 4.28Å; F448-Y452 HydrophobicContact CB-CG 4.17Å; F448-Y452 HydrophobicContact CD1-CD1 4.35Å; F448-Y452 AromaticContact CD1-CD2 3.9Å; F448-Y452 HydrophobicContact CD1-CD2 3.9Å; F448-Y452 HydrophobicContact CD1-CE2 4.31Å; F448-Y452 AromaticContact CD1-CG 3.91Å; F448-Y452 HydrophobicContact CD1-CG 3.91Å; F448-Y452 HydrophobicContact CD2-CD1 4.07Å; F448-Y452 HydrophobicContact CD2-CE1 4.16Å; F448-Y452 HydrophobicContact CD2-CG 4.44Å; F448-Y452 AromaticContact CE1-CD2 3.97Å; F448-Y452 HydrophobicContact CE1-CD2 3.97Å; F448-Y452 AromaticContact CE1-CE2 3.94Å; F448-Y452 HydrophobicContact CE1-CE2 3.94Å; F448-Y452 HydrophobicContact CE1-CG 4.36Å; F448-Y452 HydrophobicContact CE2-CD1 4.43Å; F448-Y452 HydrophobicContact CE2-CE1 4.09Å; F448-Y452 HydrophobicContact CG-CD1 4.01Å; F448-Y452 HydrophobicContact CG-CD2 4.38Å; F448-Y452 HydrophobicContact CG-CE1 4.47Å; F448-Y452 AromaticContact CG-CG 3.95Å; F448-Y452 HydrophobicContact CG-CG 3.95Å; F448-Y452 HydrophobicContact CZ-CD2 4.48Å; F448-Y452 HydrophobicContact CZ-CE1 4.37Å; F448-Y452 HydrophobicContact CZ-CE2 4.08Å | ||
| 449 | P | 89.2 | Confident | 89.6 | Confident | 5 Ų | 5 | 54.1 Ų | 54.1 | 3% | 0.032 | 27% | 0.265 | C | S | . | . | trans | -72.9 | 163.7 | 168.4 | 34 | -34 | 0 | 0 | 0 | 110.2 | C385 T386 S438 Y441 S451 Y452 | C385-P449 HydrophobicContact CB-CB 4.35Å; C385-P449 WeakPolarHBondContact O-CB 3.33Å; T386-P449 HydrophobicContact CG2-CB 4.45Å; S438-P449 WeakPolarHBondContact OG-CG 3.35Å; Y441-P449 HydrophobicContact CD1-CB 3.81Å; Y441-P449 HydrophobicContact CD1-CG 4.02Å; Y441-P449 HydrophobicContact CE1-CB 4.06Å; Y441-P449 HydrophobicContact CG-CB 4.06Å; Y441-P449 HydrophobicContact CG-CG 4.08Å; P449-S451 WeakPolarHBondContact CG-OG 3.31Å; P449-S451 PolarHBondContact O-N 2.72Å; P449-Y452 WeakPolarHBondContact O-CB 3.44Å; P449-Y452 PolarHBondContact O-N 2.7Å; P449-Y452 VanDerWaalsContact O-N 3.16Å | ||
| 450 | A | 88.2 | Confident | 89.4 | Confident | 13 Ų | 13 | 55.2 Ų | 55.2 | 11% | 0.107 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.1 | -31.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | C385 L391 Y452 D453 F454 | C385-A450 PolarHBondContact O-N 2.83Å; L391-A450 HydrophobicContact CD1-CB 3.79Å; A450-Y452 PolarHBondContact O-N 3.08Å; A450-Y452 VanDerWaalsContact O-N 3.14Å; A450-D453 PolarHBondContact O-N 2.65Å; A450-F454 HydrophobicContact CB-CD2 4.42Å; A450-F454 HydrophobicContact CB-CE2 4.35Å; A450-F454 VanDerWaalsContact O-CD2 3.23Å; A450-F454 WeakPolarHBondContact O-CD2 2.76Å; A450-F454 PolarHBondContact O-N 2.93Å |
| 451 | S | 90.8 | Very high | 88.9 | Confident | 4 Ų | 4 | 50.9 Ų | 50.9 | 3% | 0.028 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -54.5 | -32 | 177.1 | 52 | 0 | 0 | 0 | 0 | 113.2 | C385 S438 P449 F454 I455 | C385-S451 PolarHBondContact O-N 3.09Å; S438-S451 PolarHBondContact OG-OG 3Å; P449-S451 WeakPolarHBondContact CG-OG 3.31Å; P449-S451 PolarHBondContact O-N 2.72Å; S451-F454 PolarHBondContact O-N 3.3Å; S451-I455 WeakPolarHBondContact O-CB 3.45Å; S451-I455 WeakPolarHBondContact O-CG2 3.21Å; S451-I455 PolarHBondContact O-N 3.19Å |
| 452 | Y | 91.6 | Very high | 88.6 | Confident | 28 Ų | 28 | 49.7 Ų | 49.7 | 11% | 0.11 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.8 | -45.2 | 174.3 | -169.9 | -96.4 | 0 | 0 | 0 | 111.4 | R435 F448 P449 A450 F454 I455 M456 | R435-Y452 HydrophobicContact CG-CE2 4.4Å; F448-Y452 HydrophobicContact CB-CD1 4.28Å; F448-Y452 HydrophobicContact CB-CG 4.17Å; F448-Y452 HydrophobicContact CD1-CD1 4.35Å; F448-Y452 AromaticContact CD1-CD2 3.9Å; F448-Y452 HydrophobicContact CD1-CD2 3.9Å; F448-Y452 HydrophobicContact CD1-CE2 4.31Å; F448-Y452 AromaticContact CD1-CG 3.91Å; F448-Y452 HydrophobicContact CD1-CG 3.91Å; F448-Y452 HydrophobicContact CD2-CD1 4.07Å; F448-Y452 HydrophobicContact CD2-CE1 4.16Å; F448-Y452 HydrophobicContact CD2-CG 4.44Å; F448-Y452 AromaticContact CE1-CD2 3.97Å; F448-Y452 HydrophobicContact CE1-CD2 3.97Å; F448-Y452 AromaticContact CE1-CE2 3.94Å; F448-Y452 HydrophobicContact CE1-CE2 3.94Å; F448-Y452 HydrophobicContact CE1-CG 4.36Å; F448-Y452 HydrophobicContact CE2-CD1 4.43Å; F448-Y452 HydrophobicContact CE2-CE1 4.09Å; F448-Y452 HydrophobicContact CG-CD1 4.01Å; F448-Y452 HydrophobicContact CG-CD2 4.38Å; F448-Y452 HydrophobicContact CG-CE1 4.47Å; F448-Y452 AromaticContact CG-CG 3.95Å; F448-Y452 HydrophobicContact CG-CG 3.95Å; F448-Y452 HydrophobicContact CZ-CD2 4.48Å; F448-Y452 HydrophobicContact CZ-CE1 4.37Å; F448-Y452 HydrophobicContact CZ-CE2 4.08Å; P449-Y452 WeakPolarHBondContact O-CB 3.44Å; P449-Y452 PolarHBondContact O-N 2.7Å; P449-Y452 VanDerWaalsContact O-N 3.16Å; A450-Y452 PolarHBondContact O-N 3.08Å; A450-Y452 VanDerWaalsContact O-N 3.14Å; Y452-F454 VanDerWaalsContact C-N 3.31Å; Y452-F454 PolarHBondContact O-N 3.41Å; Y452-I455 WeakPolarHBondContact O-CG2 3.47Å; Y452-I455 PolarHBondContact O-N 3.03Å; Y452-M456 HydrophobicContact CD1-CE 4.38Å; Y452-M456 HydrophobicContact CD1-CG 4.43Å; Y452-M456 HydrophobicContact CD2-CE 3.75Å; Y452-M456 HydrophobicContact CE1-CE 4.01Å; Y452-M456 HydrophobicContact CE1-CG 4.21Å; Y452-M456 HydrophobicContact CE1-SD 4.39Å; Y452-M456 HydrophobicContact CE2-CE 3.32Å; Y452-M456 HydrophobicContact CG-CE 4.28Å; Y452-M456 VanDerWaalsContact CZ-CE 3.46Å; Y452-M456 VanDerWaalsContact O-CG 3.24Å; Y452-M456 WeakPolarHBondContact O-CG 3.42Å; Y452-M456 PolarHBondContact O-N 3.02Å |
| 453 | D | 88.3 | Confident | 88.3 | Confident | 67 Ų | 67 | 45.8 Ų | 45.8 | 36% | 0.358 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -67.5 | -33.3 | -179.4 | -65.5 | -31.4 | 0 | 0 | 0 | 112 | A450 P457 Y549 | A450-D453 PolarHBondContact O-N 2.65Å; D453-P457 WeakPolarHBondContact O-CD 3.29Å; D453-Y549 PolarHBondContact OD2-OH 3.14Å; D453-Y549 VanDerWaalsContact OD2-OH 3.09Å |
| 454 | F | 90.1 | Very high | 87.7 | Confident | 41 Ų | 41 | 40.3 Ų | 40.3 | 18% | 0.18 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -82.2 | -25.5 | 179.1 | -72.9 | -76.2 | 0 | 0 | 0 | 114 | F381 C388 L391 N392 S395 A450 S451 Y452 | F381-F454 HydrophobicContact CE1-CB 4.09Å; F381-F454 HydrophobicContact CZ-CB 4.04Å; C388-F454 HydrophobicContact CB-CE2 3.8Å; C388-F454 HydrophobicContact CB-CZ 4.02Å; C388-F454 WeakPolarHBondContact O-CZ 3.15Å; L391-F454 HydrophobicContact CB-CB 4.13Å; L391-F454 HydrophobicContact CB-CD1 4.45Å; L391-F454 HydrophobicContact CB-CD2 3.49Å; L391-F454 VanDerWaalsContact CB-CD2 3.49Å; L391-F454 HydrophobicContact CB-CE2 4.03Å; L391-F454 HydrophobicContact CB-CG 3.75Å; L391-F454 HydrophobicContact CD1-CD2 3.98Å; L391-F454 HydrophobicContact CG-CD2 4.4Å; N392-F454 HydrophobicContact CB-CD1 4.31Å; N392-F454 HydrophobicContact CB-CE1 3.53Å; N392-F454 HydrophobicContact CB-CZ 3.94Å; S395-F454 PolarHBondContact OG-O 3.45Å; A450-F454 HydrophobicContact CB-CD2 4.42Å; A450-F454 HydrophobicContact CB-CE2 4.35Å; A450-F454 VanDerWaalsContact O-CD2 3.23Å; A450-F454 WeakPolarHBondContact O-CD2 2.76Å; A450-F454 PolarHBondContact O-N 2.93Å; S451-F454 PolarHBondContact O-N 3.3Å; Y452-F454 VanDerWaalsContact C-N 3.31Å; Y452-F454 PolarHBondContact O-N 3.41Å |
| 455 | I | 92.1 | Very high | 86.9 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -78.7 | -27.4 | 177.4 | -161.3 | 65.4 | 0 | 0 | 0 | 112.3 | F381 F430 V431 V434 S451 Y452 I458 A459 | F381-I455 HydrophobicContact CE1-CB 4.06Å; F381-I455 HydrophobicContact CE1-CD1 4.14Å; F381-I455 HydrophobicContact CZ-CD1 4.49Å; F430-I455 HydrophobicContact CD1-CD1 3.96Å; F430-I455 HydrophobicContact CE1-CD1 3.36Å; F430-I455 HydrophobicContact CZ-CD1 3.77Å; V431-I455 HydrophobicContact CB-CG1 4.27Å; V431-I455 HydrophobicContact CG1-CG1 4.14Å; V431-I455 HydrophobicContact CG2-CD1 3.91Å; V431-I455 HydrophobicContact CG2-CG1 4.04Å; V434-I455 HydrophobicContact CB-CB 4.48Å; V434-I455 HydrophobicContact CB-CG1 4.15Å; V434-I455 HydrophobicContact CG1-CB 3.89Å; V434-I455 HydrophobicContact CG1-CG1 4.12Å; V434-I455 HydrophobicContact CG1-CG2 3.85Å; V434-I455 HydrophobicContact CG2-CD1 4.46Å; S451-I455 WeakPolarHBondContact O-CB 3.45Å; S451-I455 WeakPolarHBondContact O-CG2 3.21Å; S451-I455 PolarHBondContact O-N 3.19Å; Y452-I455 WeakPolarHBondContact O-CG2 3.47Å; Y452-I455 PolarHBondContact O-N 3.03Å; I455-I458 HydrophobicContact CD1-CB 4.47Å; I455-I458 HydrophobicContact CD1-CD1 4.05Å; I455-I458 WeakPolarHBondContact O-CB 3.4Å; I455-I458 PolarHBondContact O-N 3.27Å; I455-A459 WeakPolarHBondContact O-CB 3.43Å; I455-A459 PolarHBondContact O-N 2.94Å |
| 456 | M | 90.7 | Very high | 86.4 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.1 | -42.8 | -176.3 | -66.8 | -65.7 | 131.3 | 0 | 0 | 114.2 | Y452 I458 A459 W460 F488 L493 Y496 | Y452-M456 HydrophobicContact CD1-CE 4.38Å; Y452-M456 HydrophobicContact CD1-CG 4.43Å; Y452-M456 HydrophobicContact CD2-CE 3.75Å; Y452-M456 HydrophobicContact CE1-CE 4.01Å; Y452-M456 HydrophobicContact CE1-CG 4.21Å; Y452-M456 HydrophobicContact CE1-SD 4.39Å; Y452-M456 HydrophobicContact CE2-CE 3.32Å; Y452-M456 HydrophobicContact CG-CE 4.28Å; Y452-M456 VanDerWaalsContact CZ-CE 3.46Å; Y452-M456 VanDerWaalsContact O-CG 3.24Å; Y452-M456 WeakPolarHBondContact O-CG 3.42Å; Y452-M456 PolarHBondContact O-N 3.02Å; M456-I458 VanDerWaalsContact C-N 3.33Å; M456-I458 PolarHBondContact O-N 3.29Å; M456-A459 PolarHBondContact O-N 3.38Å; M456-W460 WeakPolarHBondContact O-CB 3.37Å; M456-W460 PolarHBondContact O-N 3.11Å; M456-F488 HydrophobicContact CE-CE2 3.74Å; M456-F488 HydrophobicContact CE-CZ 3.85Å; M456-F488 HydrophobicContact SD-CE2 4.22Å; M456-F488 HydrophobicContact SD-CZ 4Å; M456-L493 HydrophobicContact SD-CD1 4.44Å; M456-Y496 HydrophobicContact CB-CD1 3.96Å; M456-Y496 HydrophobicContact CB-CD2 3.99Å; M456-Y496 HydrophobicContact CB-CE1 3.63Å; M456-Y496 HydrophobicContact CB-CE2 3.66Å; M456-Y496 HydrophobicContact CB-CG 4.13Å; M456-Y496 VanDerWaalsContact CB-CZ 3.46Å; M456-Y496 HydrophobicContact CG-CD2 4.1Å; M456-Y496 HydrophobicContact CG-CE2 4.1Å; M456-Y496 HydrophobicContact CG-CG 4.38Å |
| 457 | P | 86.2 | Confident | 85.8 | Confident | 49 Ų | 49 | 35.7 Ų | 35.7 | 32% | 0.318 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -60.4 | -39.5 | 173.1 | -25.4 | 34.7 | 0 | 0 | 0 | 113.4 | D453 W460 K461 | D453-P457 WeakPolarHBondContact O-CD 3.29Å; P457-W460 PolarHBondContact O-N 3.36Å; P457-K461 PolarHBondContact O-N 3.39Å |
| 458 | I | 87.1 | Confident | 84.8 | Confident | 4 Ų | 4 | 36.3 Ų | 36.3 | 2% | 0.021 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.8 | -48.1 | 175.6 | -63.2 | 158.1 | 0 | 0 | 0 | 109.7 | F381 S395 L398 M399 I427 I455 M456 W460 K461 V462 | F381-I458 HydrophobicContact CZ-CD1 4.12Å; S395-I458 WeakPolarHBondContact OG-CD1 3.18Å; L398-I458 HydrophobicContact CD2-CD1 3.93Å; L398-I458 HydrophobicContact CD2-CG1 4.42Å; L398-I458 HydrophobicContact CD2-CG2 3.97Å; M399-I458 HydrophobicContact CG-CG1 4.18Å; M399-I458 HydrophobicContact SD-CB 4.49Å; M399-I458 HydrophobicContact SD-CG1 4.07Å; I427-I458 HydrophobicContact CD1-CG2 4.26Å; I455-I458 HydrophobicContact CD1-CB 4.47Å; I455-I458 HydrophobicContact CD1-CD1 4.05Å; I455-I458 WeakPolarHBondContact O-CB 3.4Å; I455-I458 PolarHBondContact O-N 3.27Å; M456-I458 VanDerWaalsContact C-N 3.33Å; M456-I458 PolarHBondContact O-N 3.29Å; I458-W460 VanDerWaalsContact C-N 3.31Å; I458-W460 PolarHBondContact O-N 2.7Å; I458-K461 PolarHBondContact O-N 3.44Å; I458-K461 VanDerWaalsContact O-N 3.14Å; I458-V462 HydrophobicContact CG2-CG2 4.35Å; I458-V462 VanDerWaalsContact O-CG2 3.3Å; I458-V462 WeakPolarHBondContact O-CG2 3.48Å; I458-V462 PolarHBondContact O-N 2.95Å |
| 459 | A | 89.4 | Confident | 83.1 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60 | -41.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | V431 I455 M456 V462 D463 W485 F488 L493 | V431-A459 HydrophobicContact CG1-CB 3.68Å; V431-A459 HydrophobicContact CG2-CB 4.43Å; I455-A459 WeakPolarHBondContact O-CB 3.43Å; I455-A459 PolarHBondContact O-N 2.94Å; M456-A459 PolarHBondContact O-N 3.38Å; A459-V462 PolarHBondContact O-N 3.44Å; A459-D463 WeakPolarHBondContact O-CB 3.24Å; A459-D463 PolarHBondContact O-N 3.09Å; A459-W485 HydrophobicContact CB-CH2 4.34Å; A459-F488 HydrophobicContact CB-CE1 3.88Å; A459-F488 HydrophobicContact CB-CZ 3.96Å; A459-L493 HydrophobicContact CB-CD1 3.92Å |
| 460 | W | 87.5 | Confident | 81.4 | Confident | 74 Ų | 74 | 38.3 Ų | 38.3 | 28% | 0.28 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -61 | -49.5 | 173.7 | -177.8 | 1.9 | 0 | 0 | 0 | 110.1 | M456 P457 I458 V462 D463 D464 L493 Y496 Q497 N500 | M456-W460 WeakPolarHBondContact O-CB 3.37Å; M456-W460 PolarHBondContact O-N 3.11Å; P457-W460 PolarHBondContact O-N 3.36Å; I458-W460 VanDerWaalsContact C-N 3.31Å; I458-W460 PolarHBondContact O-N 2.7Å; W460-V462 VanDerWaalsContact C-N 3.33Å; W460-V462 PolarHBondContact O-N 3.2Å; W460-D463 WeakPolarHBondContact O-CB 3.25Å; W460-D463 PolarHBondContact O-N 2.95Å; W460-D463 VanDerWaalsContact O-N 3.11Å; W460-D464 VanDerWaalsContact CD1-CG 3.46Å; W460-D464 VanDerWaalsContact CD1-OD1 3.31Å; W460-D464 VanDerWaalsContact CD1-OD2 3.27Å; W460-D464 VanDerWaalsContact NE1-CG 3.35Å; W460-D464 PolarHBondContact NE1-OD1 2.8Å; W460-D464 VanDerWaalsContact NE1-OD1 3.17Å; W460-D464 PolarHBondContact NE1-OD2 3.12Å; W460-D464 PolarHBondContact O-N 3.08Å; W460-L493 HydrophobicContact CB-CD1 4.08Å; W460-Y496 HydrophobicContact CE3-CE1 4.29Å; W460-Q497 HydrophobicContact CD2-CG 3.89Å; W460-Q497 HydrophobicContact CE3-CG 4.47Å; W460-Q497 HydrophobicContact CG-CG 3.92Å; W460-N500 HydrophobicContact CZ3-CB 4.27Å |
| 461 | K | 82.2 | Confident | 79.3 | Confident | 37 Ų | 37 | 41.2 Ų | 41.2 | 16% | 0.161 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.9 | -44.3 | 179.1 | -168.8 | 57.6 | 156.2 | -169 | 0 | 112.7 | M399 C403 E412 P457 I458 D463 D464 V465 | M399-K461 HydrophobicContact CE-CB 3.81Å; M399-K461 HydrophobicContact CE-CD 4.28Å; M399-K461 HydrophobicContact CE-CG 3.7Å; M399-K461 HydrophobicContact SD-CB 3.95Å; M399-K461 HydrophobicContact SD-CG 4.19Å; C403-K461 WeakPolarHBondContact SG-CE 3.23Å; E412-K461 IonicContact OE1-NZ 2.52Å; E412-K461 PolarHBondContact OE1-NZ 3.47Å; E412-K461 WeakPolarHBondContact OE2-CE 3.35Å; E412-K461 IonicContact OE2-NZ 3.15Å; E412-K461 PolarHBondContact OE2-NZ 3.4Å; P457-K461 PolarHBondContact O-N 3.39Å; I458-K461 PolarHBondContact O-N 3.44Å; I458-K461 VanDerWaalsContact O-N 3.14Å; K461-D463 VanDerWaalsContact C-N 3.32Å; K461-D463 PolarHBondContact O-N 3.14Å; K461-D464 PolarHBondContact O-N 3.3Å; K461-V465 WeakPolarHBondContact O-CB 3.24Å; K461-V465 VanDerWaalsContact O-CG2 3.24Å; K461-V465 WeakPolarHBondContact O-CG2 3.36Å; K461-V465 PolarHBondContact O-N 2.95Å |
| 462 | V | 83.2 | Confident | 77.2 | Confident | 5 Ų | 5 | 46.1 Ų | 46.1 | 3% | 0.03 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.8 | -44.6 | 176 | 170.6 | 0 | 0 | 0 | 0 | 110.9 | L422 I427 F428 I458 A459 W460 V465 V466 W485 | L422-V462 HydrophobicContact CD2-CG1 4.02Å; I427-V462 HydrophobicContact CD1-CG2 4.45Å; I427-V462 HydrophobicContact CG1-CG2 3.61Å; I427-V462 HydrophobicContact CG2-CG1 4.3Å; F428-V462 HydrophobicContact CD1-CG1 4.13Å; F428-V462 HydrophobicContact CE1-CG1 3.57Å; F428-V462 HydrophobicContact CZ-CG1 4.14Å; I458-V462 HydrophobicContact CG2-CG2 4.35Å; I458-V462 VanDerWaalsContact O-CG2 3.3Å; I458-V462 WeakPolarHBondContact O-CG2 3.48Å; I458-V462 PolarHBondContact O-N 2.95Å; A459-V462 PolarHBondContact O-N 3.44Å; W460-V462 VanDerWaalsContact C-N 3.33Å; W460-V462 PolarHBondContact O-N 3.2Å; V462-V465 PolarHBondContact O-N 3.11Å; V462-V466 VanDerWaalsContact O-CG2 3.22Å; V462-V466 WeakPolarHBondContact O-CG2 3.49Å; V462-V466 PolarHBondContact O-N 3.43Å; V462-W485 HydrophobicContact CB-CH2 4.29Å; V462-W485 HydrophobicContact CB-CZ2 4.38Å; V462-W485 HydrophobicContact CG1-CH2 3.91Å; V462-W485 HydrophobicContact CG1-CZ2 3.86Å |
| 463 | D | 84.4 | Confident | 74.9 | Confident | 9 Ų | 9 | 47.5 Ų | 47.5 | 5% | 0.048 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.8 | -41.2 | 177.7 | -176.8 | 60.1 | 0 | 0 | 0 | 112.7 | A459 W460 K461 V466 K467 W485 L493 Q497 | A459-D463 WeakPolarHBondContact O-CB 3.24Å; A459-D463 PolarHBondContact O-N 3.09Å; W460-D463 WeakPolarHBondContact O-CB 3.25Å; W460-D463 PolarHBondContact O-N 2.95Å; W460-D463 VanDerWaalsContact O-N 3.11Å; K461-D463 VanDerWaalsContact C-N 3.32Å; K461-D463 PolarHBondContact O-N 3.14Å; D463-V466 PolarHBondContact O-N 2.88Å; D463-K467 WeakPolarHBondContact O-CB 3.31Å; D463-K467 WeakPolarHBondContact O-CG 3.41Å; D463-K467 PolarHBondContact O-N 3.43Å; D463-K467 IonicContact OD1-NZ 2.89Å; D463-K467 VanDerWaalsContact OD2-CE 3.24Å; D463-K467 WeakPolarHBondContact OD2-CE 3.45Å; D463-K467 IonicContact OD2-NZ 2.65Å; D463-K467 PolarHBondContact OD2-NZ 3.41Å; D463-W485 HydrophobicContact CB-CZ2 4.22Å; D463-L493 HydrophobicContact CB-CD2 3.67Å; D463-Q497 PolarHBondContact OD2-NE2 2.96Å |
| 464 | D | 79.2 | Confident | 73 | Confident | 49 Ų | 49 | 52.6 Ų | 52.6 | 26% | 0.262 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.7 | -46.9 | 175 | -76.2 | -6.4 | 0 | 0 | 0 | 110.8 | W460 K461 V466 K467 E468 | W460-D464 VanDerWaalsContact CD1-CG 3.46Å; W460-D464 VanDerWaalsContact CD1-OD1 3.31Å; W460-D464 VanDerWaalsContact CD1-OD2 3.27Å; W460-D464 VanDerWaalsContact NE1-CG 3.35Å; W460-D464 PolarHBondContact NE1-OD1 2.8Å; W460-D464 VanDerWaalsContact NE1-OD1 3.17Å; W460-D464 PolarHBondContact NE1-OD2 3.12Å; W460-D464 PolarHBondContact O-N 3.08Å; K461-D464 PolarHBondContact O-N 3.3Å; D464-V466 VanDerWaalsContact C-N 3.33Å; D464-V466 PolarHBondContact O-N 3.09Å; D464-K467 PolarHBondContact O-N 3.11Å; D464-K467 VanDerWaalsContact O-N 3.14Å; D464-E468 WeakPolarHBondContact O-CB 3.1Å; D464-E468 WeakPolarHBondContact O-CG 3.32Å; D464-E468 PolarHBondContact O-N 3.25Å |
| 465 | V | 73.9 | Confident | 71.1 | Confident | 9 Ų | 9 | 59 Ų | 59 | 6% | 0.055 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60 | -41.9 | 177.2 | 167.3 | 0 | 0 | 0 | 0 | 112.2 | L414 L422 K461 V462 K467 I470 | L414-V465 HydrophobicContact CD1-CG1 3.51Å; L414-V465 HydrophobicContact CD2-CB 4.05Å; L414-V465 HydrophobicContact CD2-CG1 3.37Å; L414-V465 HydrophobicContact CD2-CG2 3.45Å; L414-V465 VanDerWaalsContact CD2-CG2 3.45Å; L414-V465 HydrophobicContact CG-CG1 4.06Å; L422-V465 HydrophobicContact CD1-CG1 3.68Å; K461-V465 WeakPolarHBondContact O-CB 3.24Å; K461-V465 VanDerWaalsContact O-CG2 3.24Å; K461-V465 WeakPolarHBondContact O-CG2 3.36Å; K461-V465 PolarHBondContact O-N 2.95Å; V462-V465 PolarHBondContact O-N 3.11Å; V465-K467 VanDerWaalsContact C-N 3.34Å; V465-I470 HydrophobicContact CG1-CD1 4.23Å |
| 466 | V | 76 | Confident | 69.3 | Low | 48 Ų | 48 | 60.9 Ų | 60.9 | 29% | 0.291 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.3 | -39.9 | 176.7 | 169.8 | 0 | 0 | 0 | 0 | 110.9 | L422 F428 V462 D463 D464 | L422-V466 HydrophobicContact CD2-CG2 4.06Å; F428-V466 HydrophobicContact CE1-CG2 4.2Å; F428-V466 HydrophobicContact CZ-CG2 3.86Å; V462-V466 VanDerWaalsContact O-CG2 3.22Å; V462-V466 WeakPolarHBondContact O-CG2 3.49Å; V462-V466 PolarHBondContact O-N 3.43Å; D463-V466 PolarHBondContact O-N 2.88Å; D464-V466 VanDerWaalsContact C-N 3.33Å; D464-V466 PolarHBondContact O-N 3.09Å |
| 467 | K | 76 | Confident | 67.3 | Low | 125 Ų | 125 | 63.4 Ų | 63.4 | 54% | 0.543 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -70.8 | -36.1 | 179.1 | -75.5 | 168.5 | 177.2 | 166.2 | 0 | 113.5 | D463 D464 V465 G469 | D463-K467 WeakPolarHBondContact O-CB 3.31Å; D463-K467 WeakPolarHBondContact O-CG 3.41Å; D463-K467 PolarHBondContact O-N 3.43Å; D463-K467 IonicContact OD1-NZ 2.89Å; D463-K467 VanDerWaalsContact OD2-CE 3.24Å; D463-K467 WeakPolarHBondContact OD2-CE 3.45Å; D463-K467 IonicContact OD2-NZ 2.65Å; D463-K467 PolarHBondContact OD2-NZ 3.41Å; D464-K467 PolarHBondContact O-N 3.11Å; D464-K467 VanDerWaalsContact O-N 3.14Å; V465-K467 VanDerWaalsContact C-N 3.34Å; K467-G469 PolarHBondContact O-N 3.13Å |
| 468 | E | 66 | Low | 65.8 | Low | 145 Ų | 145 | 66.1 Ų | 66.1 | 68% | 0.678 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -76.3 | -18.2 | -167.7 | -82.2 | -168.6 | 168.7 | 0 | 0 | 116.1 | D464 | D464-E468 WeakPolarHBondContact O-CB 3.1Å; D464-E468 WeakPolarHBondContact O-CG 3.32Å; D464-E468 PolarHBondContact O-N 3.25Å |
| 469 | G | 53.9 | Low | 64.3 | Low | 64 Ų | 64 | 72.5 Ų | 72.5 | 66% | 0.66 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | 175.4 | 4.8 | -177 | 0 | 0 | 0 | 0 | 0 | 119 | K467 G471 | K467-G469 PolarHBondContact O-N 3.13Å; G469-G471 PolarHBondContact O-N 3.31Å; G469-G471 VanDerWaalsContact O-N 3.11Å |
| 470 | I | 52.3 | Low | 63.1 | Low | 33 Ų | 33 | 78.7 Ų | 78.7 | 17% | 0.169 | 43% | 0.434 | C | S | . | . | trans | -90.9 | 53 | 172.2 | -39.9 | -173.5 | 0 | 0 | 0 | 110.4 | L414 L422 V465 S472 I473 | L414-I470 HydrophobicContact CD1-CD1 4.25Å; L422-I470 HydrophobicContact CD1-CD1 3.76Å; V465-I470 HydrophobicContact CG1-CD1 4.23Å; I470-S472 PolarHBondContact O-N 2.99Å; I470-I473 HydrophobicContact CB-CB 4.36Å; I470-I473 HydrophobicContact CB-CD1 4.46Å; I470-I473 HydrophobicContact CB-CG1 4.49Å; I470-I473 HydrophobicContact CD1-CD1 4.33Å; I470-I473 HydrophobicContact CG2-CB 3.27Å; I470-I473 HydrophobicContact CG2-CD1 3.1Å; I470-I473 HydrophobicContact CG2-CG1 3.07Å; I470-I473 HydrophobicContact CG2-CG2 4.38Å; I470-I473 PolarHBondContact O-N 3.46Å | ||
| 471 | G | 44.2 | Very low | 62.2 | Low | 74 Ų | 74 | 78.9 Ų | 78.9 | 76% | 0.763 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | 6.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115 | G469 | G469-G471 PolarHBondContact O-N 3.31Å; G469-G471 VanDerWaalsContact O-N 3.11Å |
| 472 | S | 47.2 | Very low | 61.7 | Low | 108 Ų | 108 | 78.2 Ų | 78.2 | 76% | 0.755 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.6 | 3.1 | 178.2 | 63.1 | 0 | 0 | 0 | 0 | 115.4 | I470 F474 | I470-S472 PolarHBondContact O-N 2.99Å; S472-F474 VanDerWaalsContact C-N 3.32Å |
| 473 | I | 43.9 | Very low | 61.5 | Low | 56 Ų | 56 | 83.5 Ų | 83.5 | 29% | 0.287 | 47% | 0.465 | S | S | . | . | trans | -95.3 | 23.6 | 176.9 | -66.5 | 179.8 | 0 | 0 | 0 | 112.3 | I423 I470 Q475 L476 | I423-I473 HydrophobicContact CG1-CD1 3.96Å; I470-I473 HydrophobicContact CB-CB 4.36Å; I470-I473 HydrophobicContact CB-CD1 4.46Å; I470-I473 HydrophobicContact CB-CG1 4.49Å; I470-I473 HydrophobicContact CD1-CD1 4.33Å; I470-I473 HydrophobicContact CG2-CB 3.27Å; I470-I473 HydrophobicContact CG2-CD1 3.1Å; I470-I473 HydrophobicContact CG2-CG1 3.07Å; I470-I473 HydrophobicContact CG2-CG2 4.38Å; I470-I473 PolarHBondContact O-N 3.46Å; I473-Q475 CarbonylContact O-C 3.26Å; I473-Q475 PolarHBondContact O-N 2.87Å; I473-L476 PolarHBondContact O-N 2.8Å | ||
| 474 | F | 46.5 | Very low | 61.6 | Low | 175 Ų | 175 | 85.1 Ų | 85.1 | 77% | 0.768 | 48% | 0.479 | S | S | * | . | trans | -70.8 | 39.3 | 162.4 | -78.5 | -76 | 0 | 0 | 0 | 113.7 | S472 | S472-F474 VanDerWaalsContact C-N 3.32Š| ||
| 475 | Q | 51.5 | Low | 62 | Low | 175 Ų | 175 | 83.2 Ų | 83.2 | 82% | 0.818 | 47% | 0.469 | S | S | * | . | trans | -121 | 61.2 | 147.1 | -66 | -176.3 | 8 | 0 | 0 | 106.7 | I473 P477 | I473-Q475 CarbonylContact O-C 3.26Å; I473-Q475 PolarHBondContact O-N 2.87Å; Q475-P477 WeakPolarHBondContact O-CD 3.4Å | ||
| 476 | L | 53.2 | Low | 62.5 | Low | 39 Ų | 39 | 86.7 Ų | 86.7 | 20% | 0.204 | 49% | 0.487 | C | S | . | . | trans | -50.3 | 126.4 | 159.4 | -77.7 | 168.2 | 0 | 0 | 0 | 106.2 | F428 I473 D478 A482 | F428-L476 HydrophobicContact CD2-CD2 3.65Å; F428-L476 HydrophobicContact CE2-CD2 3.23Å; F428-L476 HydrophobicContact CZ-CD2 3.87Å; I473-L476 PolarHBondContact O-N 2.8Å; L476-D478 PolarHBondContact O-N 3.45Å; L476-D478 VanDerWaalsContact O-N 3.13Å; L476-A482 HydrophobicContact CD1-CB 3.82Å | ||
| 477 | P | 49.1 | Very low | 63.1 | Low | 53 Ų | 53 | 86.7 Ų | 86.7 | 34% | 0.344 | 49% | 0.492 | S | S | . | . | S | Bend | trans | -58.8 | 123 | 175.6 | -17 | 28.9 | 0 | 0 | 0 | 107.5 | I423 Q475 | I423-P477 WeakPolarHBondContact O-CG 3.48Å; Q475-P477 WeakPolarHBondContact O-CD 3.4Å |
| 478 | D | 55.7 | Low | 63.8 | Low | 106 Ų | 106 | 80.9 Ų | 80.9 | 57% | 0.567 | 47% | 0.467 | S | S | * | . | S | Bend | trans | 67.7 | 117.4 | -176.1 | -54.7 | -36.9 | 0 | 0 | 0 | 116.3 | L476 D480 Y481 | L476-D478 PolarHBondContact O-N 3.45Å; L476-D478 VanDerWaalsContact O-N 3.13Å; D478-D480 PolarHBondContact O-N 2.9Å; D478-Y481 HydrophobicContact CB-CD2 3.98Å; D478-Y481 HydrophobicContact CB-CE2 4.08Å; D478-Y481 PolarHBondContact O-N 3.46Å |
| 479 | N | 54 | Low | 64.9 | Low | 138 Ų | 138 | 74.7 Ų | 74.7 | 74% | 0.738 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -53.2 | -20.3 | 175.5 | -88.3 | -24.3 | 0 | 0 | 0 | 114.2 | ||
| 480 | D | 64.5 | Low | 66.5 | Low | 130 Ų | 130 | 78.7 Ų | 78.7 | 70% | 0.695 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -70.9 | -35.7 | -175.4 | -67.3 | -16.9 | 0 | 0 | 0 | 111.9 | D478 A484 | D478-D480 PolarHBondContact O-N 2.9Å; D480-A484 PolarHBondContact O-N 3.03Å |
| 481 | Y | 69.5 | Low | 68.3 | Low | 79 Ų | 79 | 81 Ų | 81 | 31% | 0.31 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -75.3 | -33 | 179.8 | -63 | -71.3 | 0 | 0 | 0 | 112.9 | K429 L432 D478 N483 A484 W485 | K429-Y481 HydrophobicContact CD-CE1 4.38Å; K429-Y481 HydrophobicContact CG-CD1 4.1Å; K429-Y481 HydrophobicContact CG-CE1 3.58Å; K429-Y481 HydrophobicContact CG-CE2 4.37Å; L432-Y481 HydrophobicContact CD1-CD1 4.34Å; D478-Y481 HydrophobicContact CB-CD2 3.98Å; D478-Y481 HydrophobicContact CB-CE2 4.08Å; D478-Y481 PolarHBondContact O-N 3.46Å; Y481-N483 VanDerWaalsContact C-N 3.32Å; Y481-N483 PolarHBondContact O-N 2.92Å; Y481-A484 PolarHBondContact O-N 2.95Å; Y481-W485 WeakPolarHBondContact O-CB 3.48Å; Y481-W485 PolarHBondContact O-N 3.32Å |
| 482 | A | 71.8 | Confident | 70.5 | Confident | 22 Ų | 22 | 78.6 Ų | 78.6 | 18% | 0.182 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -61.4 | -42.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L476 N486 | L476-A482 HydrophobicContact CD1-CB 3.82Å; A482-N486 WeakPolarHBondContact O-CB 3.12Å; A482-N486 PolarHBondContact O-N 3.48Å; A482-N486 PolarHBondContact O-ND2 2.8Å |
| 483 | N | 78.8 | Confident | 72.5 | Confident | 117 Ų | 117 | 73.5 Ų | 73.5 | 63% | 0.626 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -68.7 | -44.2 | 176.9 | -69.9 | -31.9 | 0 | 0 | 0 | 111.7 | Y481 N486 A487 | Y481-N483 VanDerWaalsContact C-N 3.32Å; Y481-N483 PolarHBondContact O-N 2.92Å; N483-N486 PolarHBondContact O-N 3.42Å; N483-A487 WeakPolarHBondContact O-CB 3.38Å; N483-A487 PolarHBondContact O-N 3.04Å |
| 484 | A | 85.3 | Confident | 74.7 | Confident | 43 Ų | 43 | 72.4 Ų | 72.4 | 36% | 0.355 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.5 | -42.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | L432 D480 Y481 A487 F488 | L432-A484 HydrophobicContact CD1-CB 3.88Å; D480-A484 PolarHBondContact O-N 3.03Å; Y481-A484 PolarHBondContact O-N 2.95Å; A484-A487 PolarHBondContact O-N 3.32Å; A484-F488 WeakPolarHBondContact O-CB 3.33Å; A484-F488 PolarHBondContact O-N 3.46Å |
| 485 | W | 87.6 | Confident | 76.6 | Confident | 9 Ų | 9 | 67.2 Ų | 67.2 | 3% | 0.034 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -62.7 | -50.5 | 175.4 | -176.6 | -102 | 0 | 0 | 0 | 111.6 | F428 V431 L432 A459 V462 D463 Y481 A487 F488 V489 | F428-W485 HydrophobicContact CB-CE3 4.37Å; F428-W485 AromaticContact CD1-CD2 3.54Å; F428-W485 HydrophobicContact CD1-CD2 3.54Å; F428-W485 AromaticContact CD1-CE2 3.76Å; F428-W485 AromaticContact CD1-CE3 3.58Å; F428-W485 HydrophobicContact CD1-CE3 3.58Å; F428-W485 HydrophobicContact CD1-CG 4.09Å; F428-W485 HydrophobicContact CD1-CH2 4.01Å; F428-W485 HydrophobicContact CD1-CZ2 4Å; F428-W485 AromaticContact CD1-CZ3 3.8Å; F428-W485 HydrophobicContact CD1-CZ3 3.8Å; F428-W485 HydrophobicContact CE1-CD2 4Å; F428-W485 AromaticContact CE1-CE2 3.77Å; F428-W485 HydrophobicContact CE1-CE3 4.42Å; F428-W485 HydrophobicContact CE1-CG 4.43Å; F428-W485 HydrophobicContact CE1-CH2 4.36Å; F428-W485 AromaticContact CE1-CZ2 3.97Å; F428-W485 HydrophobicContact CE1-CZ2 3.97Å; F428-W485 HydrophobicContact CG-CE3 4.45Å; V431-W485 HydrophobicContact CB-CZ3 3.9Å; V431-W485 HydrophobicContact CG1-CH2 4.18Å; V431-W485 HydrophobicContact CG1-CZ3 3.65Å; V431-W485 HydrophobicContact CG2-CZ3 4.44Å; L432-W485 HydrophobicContact CD2-CE3 4.37Å; L432-W485 HydrophobicContact CG-CE3 4.31Å; A459-W485 HydrophobicContact CB-CH2 4.34Å; V462-W485 HydrophobicContact CB-CH2 4.29Å; V462-W485 HydrophobicContact CB-CZ2 4.38Å; V462-W485 HydrophobicContact CG1-CH2 3.91Å; V462-W485 HydrophobicContact CG1-CZ2 3.86Å; D463-W485 HydrophobicContact CB-CZ2 4.22Å; Y481-W485 WeakPolarHBondContact O-CB 3.48Å; Y481-W485 PolarHBondContact O-N 3.32Å; W485-A487 VanDerWaalsContact C-N 3.27Å; W485-A487 PolarHBondContact O-N 3.49Å; W485-F488 HydrophobicContact CD2-CD1 4.48Å; W485-F488 HydrophobicContact CE3-CD1 4Å; W485-F488 HydrophobicContact CH2-CD1 4.48Å; W485-F488 HydrophobicContact CH2-CE1 4.25Å; W485-F488 HydrophobicContact CZ3-CD1 4.02Å; W485-F488 HydrophobicContact CZ3-CE1 4.06Å; W485-F488 WeakPolarHBondContact O-CB 3.5Å; W485-F488 PolarHBondContact O-N 3.32Å; W485-F488 VanDerWaalsContact O-N 3.15Å; W485-V489 HydrophobicContact CD2-CG2 4.3Å; W485-V489 HydrophobicContact CG-CG2 4.34Å; W485-V489 HydrophobicContact CZ2-CG2 4.36Å; W485-V489 VanDerWaalsContact O-CG2 3.31Å; W485-V489 WeakPolarHBondContact O-CG2 3.22Å; W485-V489 PolarHBondContact O-N 2.95Å |
| 486 | N | 85.1 | Confident | 78.2 | Confident | 82 Ų | 82 | 61.2 Ų | 61.2 | 44% | 0.439 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60.4 | -38.1 | 178.4 | -74.6 | -32.6 | 0 | 0 | 0 | 112.1 | A482 N483 Q490 | A482-N486 WeakPolarHBondContact O-CB 3.12Å; A482-N486 PolarHBondContact O-N 3.48Å; A482-N486 PolarHBondContact O-ND2 2.8Å; N483-N486 PolarHBondContact O-N 3.42Å; N486-Q490 VanDerWaalsContact O-CG 3.32Å; N486-Q490 WeakPolarHBondContact O-CG 3.49Å; N486-Q490 PolarHBondContact O-N 3.39Å; N486-Q490 VanDerWaalsContact O-N 3.13Å |
| 487 | A | 88.5 | Confident | 79.7 | Confident | 48 Ų | 48 | 60.5 Ų | 60.5 | 40% | 0.397 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.7 | -51 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111 | N483 A484 W485 V489 Q490 T491 | N483-A487 WeakPolarHBondContact O-CB 3.38Å; N483-A487 PolarHBondContact O-N 3.04Å; A484-A487 PolarHBondContact O-N 3.32Å; W485-A487 VanDerWaalsContact C-N 3.27Å; W485-A487 PolarHBondContact O-N 3.49Å; A487-V489 VanDerWaalsContact C-N 3.33Å; A487-V489 PolarHBondContact O-N 2.89Å; A487-Q490 PolarHBondContact O-N 3.26Å; A487-Q490 VanDerWaalsContact O-N 3.13Å; A487-T491 VanDerWaalsContact O-CG2 3.24Å; A487-T491 WeakPolarHBondContact O-CG2 3.3Å; A487-T491 PolarHBondContact O-N 2.95Å; A487-T491 PolarHBondContact O-OG1 2.76Å |
| 488 | F | 91.3 | Very high | 81.2 | Confident | 3 Ų | 3 | 63.4 Ų | 63.4 | 1% | 0.013 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -56.4 | -43.7 | 176 | 165 | -104.2 | 0 | 0 | 0 | 112.7 | V431 L432 R435 M456 A459 A484 W485 Q490 T491 D492 L493 | V431-F488 HydrophobicContact CG1-CE1 3.94Å; V431-F488 HydrophobicContact CG1-CZ 4.06Å; L432-F488 HydrophobicContact CD2-CB 3.74Å; L432-F488 HydrophobicContact CD2-CD1 4.4Å; L432-F488 HydrophobicContact CD2-CG 4.02Å; R435-F488 HydrophobicContact CB-CE2 4.39Å; R435-F488 HydrophobicContact CG-CD2 3.88Å; R435-F488 HydrophobicContact CG-CE2 3.9Å; M456-F488 HydrophobicContact CE-CE2 3.74Å; M456-F488 HydrophobicContact CE-CZ 3.85Å; M456-F488 HydrophobicContact SD-CE2 4.22Å; M456-F488 HydrophobicContact SD-CZ 4Å; A459-F488 HydrophobicContact CB-CE1 3.88Å; A459-F488 HydrophobicContact CB-CZ 3.96Å; A484-F488 WeakPolarHBondContact O-CB 3.33Å; A484-F488 PolarHBondContact O-N 3.46Å; W485-F488 HydrophobicContact CD2-CD1 4.48Å; W485-F488 HydrophobicContact CE3-CD1 4Å; W485-F488 HydrophobicContact CH2-CD1 4.48Å; W485-F488 HydrophobicContact CH2-CE1 4.25Å; W485-F488 HydrophobicContact CZ3-CD1 4.02Å; W485-F488 HydrophobicContact CZ3-CE1 4.06Å; W485-F488 WeakPolarHBondContact O-CB 3.5Å; W485-F488 PolarHBondContact O-N 3.32Å; W485-F488 VanDerWaalsContact O-N 3.15Å; F488-Q490 VanDerWaalsContact C-N 3.28Å; F488-Q490 PolarHBondContact O-N 3.46Å; F488-T491 PolarHBondContact O-N 2.97Å; F488-D492 HydrophobicContact CD2-CB 3.71Å; F488-D492 WeakPolarHBondContact CD2-OD2 3.4Å; F488-D492 HydrophobicContact CE2-CB 3.62Å; F488-D492 PolarHBondContact O-N 3.24Å; F488-L493 HydrophobicContact CE1-CB 4.13Å; F488-L493 HydrophobicContact CE1-CD2 4.29Å; F488-L493 HydrophobicContact CZ-CB 4.3Å; F488-L493 HydrophobicContact CZ-CD1 4.45Å; F488-L493 PolarHBondContact O-N 3.47Å; F488-L493 VanDerWaalsContact O-N 3.12Å |
| 489 | V | 88.3 | Confident | 82.2 | Confident | 14 Ų | 14 | 62.8 Ų | 62.8 | 9% | 0.085 | 34% | 0.344 | C | S | . | . | I | π-helix | trans | -59.9 | -41.5 | 177.6 | 170.4 | 0 | 0 | 0 | 0 | 110.8 | W485 A487 L493 S494 | W485-V489 HydrophobicContact CD2-CG2 4.3Å; W485-V489 HydrophobicContact CG-CG2 4.34Å; W485-V489 HydrophobicContact CZ2-CG2 4.36Å; W485-V489 VanDerWaalsContact O-CG2 3.31Å; W485-V489 WeakPolarHBondContact O-CG2 3.22Å; W485-V489 PolarHBondContact O-N 2.95Å; A487-V489 VanDerWaalsContact C-N 3.33Å; A487-V489 PolarHBondContact O-N 2.89Å; V489-L493 HydrophobicContact CG2-CD2 4.07Å; V489-S494 VanDerWaalsContact O-CB 3.24Å; V489-S494 WeakPolarHBondContact O-CB 3.37Å; V489-S494 PolarHBondContact O-N 3.46Å; V489-S494 PolarHBondContact O-OG 2.97Å |
| 490 | Q | 88.8 | Confident | 82.8 | Confident | 149 Ų | 149 | 57.9 Ų | 57.9 | 70% | 0.696 | 32% | 0.318 | S | S | * | . | I | π-helix | trans | -75 | -41.1 | 179.4 | -70.8 | 177.1 | 5.7 | 0 | 0 | 112.9 | N486 A487 F488 | N486-Q490 VanDerWaalsContact O-CG 3.32Å; N486-Q490 WeakPolarHBondContact O-CG 3.49Å; N486-Q490 PolarHBondContact O-N 3.39Å; N486-Q490 VanDerWaalsContact O-N 3.13Å; A487-Q490 PolarHBondContact O-N 3.26Å; A487-Q490 VanDerWaalsContact O-N 3.13Å; F488-Q490 VanDerWaalsContact C-N 3.28Å; F488-Q490 PolarHBondContact O-N 3.46Å |
| 491 | T | 89.7 | Confident | 82.8 | Confident | 80 Ų | 80 | 54.2 Ų | 54.2 | 49% | 0.491 | 30% | 0.3 | S | S | . | . | I | π-helix | trans | -83.2 | -38.1 | -172 | 65 | 0 | 0 | 0 | 0 | 113.2 | A487 F488 P495 | A487-T491 VanDerWaalsContact O-CG2 3.24Å; A487-T491 WeakPolarHBondContact O-CG2 3.3Å; A487-T491 PolarHBondContact O-N 2.95Å; A487-T491 PolarHBondContact O-OG1 2.76Å; F488-T491 PolarHBondContact O-N 2.97Å; T491-P495 WeakPolarHBondContact O-CG 3.34Å |
| 492 | D | 90.5 | Very high | 81.5 | Confident | 25 Ų | 25 | 52.8 Ų | 52.8 | 13% | 0.134 | 30% | 0.302 | C | S | . | . | I | π-helix | trans | -119.3 | -52.1 | -166.1 | -57 | -8.5 | 0 | 0 | 0 | 110.4 | R435 F488 P495 Y496 | R435-D492 IonicContact CZ-OD2 2.79Å; R435-D492 IonicContact NE-OD2 3.25Å; R435-D492 PolarHBondContact NE-OD2 3.17Å; R435-D492 IonicContact NH2-OD1 3.46Å; R435-D492 IonicContact NH2-OD2 3.09Å; R435-D492 PolarHBondContact NH2-OD2 3.31Å; F488-D492 HydrophobicContact CD2-CB 3.71Å; F488-D492 WeakPolarHBondContact CD2-OD2 3.4Å; F488-D492 HydrophobicContact CE2-CB 3.62Å; F488-D492 PolarHBondContact O-N 3.24Å; D492-P495 WeakPolarHBondContact O-CD 3.49Å; D492-Y496 WeakPolarHBondContact O-CB 3.35Å; D492-Y496 PolarHBondContact O-N 3.43Å; D492-Y496 VanDerWaalsContact O-N 3.15Å |
| 493 | L | 89.2 | Confident | 80 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 30% | 0.301 | C | S | . | . | I | π-helix | trans | -72.8 | -44.8 | -171.8 | -164.8 | 62.8 | 0 | 0 | 0 | 113.4 | M456 A459 W460 D463 F488 V489 Y496 Q497 | M456-L493 HydrophobicContact SD-CD1 4.44Å; A459-L493 HydrophobicContact CB-CD1 3.92Å; W460-L493 HydrophobicContact CB-CD1 4.08Å; D463-L493 HydrophobicContact CB-CD2 3.67Å; F488-L493 HydrophobicContact CE1-CB 4.13Å; F488-L493 HydrophobicContact CE1-CD2 4.29Å; F488-L493 HydrophobicContact CZ-CB 4.3Å; F488-L493 HydrophobicContact CZ-CD1 4.45Å; F488-L493 PolarHBondContact O-N 3.47Å; F488-L493 VanDerWaalsContact O-N 3.12Å; V489-L493 HydrophobicContact CG2-CD2 4.07Å; L493-Y496 WeakPolarHBondContact O-CB 3.41Å; L493-Y496 PolarHBondContact O-N 2.84Å; L493-Q497 HydrophobicContact CG-CG 4.4Å; L493-Q497 WeakPolarHBondContact O-CB 3.49Å; L493-Q497 VanDerWaalsContact O-CG 3.3Å; L493-Q497 WeakPolarHBondContact O-CG 3.17Å; L493-Q497 PolarHBondContact O-N 2.91Å |
| 494 | S | 88.9 | Confident | 78 | Confident | 34 Ų | 34 | 53.1 Ų | 53.1 | 24% | 0.238 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.8 | -43.6 | -180 | -61.8 | 0 | 0 | 0 | 0 | 111.9 | V489 Y496 Q497 N498 | V489-S494 VanDerWaalsContact O-CB 3.24Å; V489-S494 WeakPolarHBondContact O-CB 3.37Å; V489-S494 PolarHBondContact O-N 3.46Å; V489-S494 PolarHBondContact O-OG 2.97Å; S494-Y496 VanDerWaalsContact C-N 3.34Å; S494-Y496 PolarHBondContact O-N 3.42Å; S494-Q497 PolarHBondContact O-N 3.31Å; S494-N498 WeakPolarHBondContact O-CB 3.42Å; S494-N498 VanDerWaalsContact O-CG 3.26Å; S494-N498 PolarHBondContact O-N 3.44Å; S494-N498 PolarHBondContact O-ND2 2.96Å |
| 495 | P | 88.2 | Confident | 75.5 | Confident | 65 Ų | 65 | 59 Ų | 59 | 42% | 0.422 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -58.8 | -42.9 | 170 | -28.3 | 38.2 | 0 | 0 | 0 | 113.4 | T491 D492 N498 M499 | T491-P495 WeakPolarHBondContact O-CG 3.34Å; D492-P495 WeakPolarHBondContact O-CD 3.49Å; P495-N498 PolarHBondContact O-N 2.98Å; P495-M499 WeakPolarHBondContact O-CB 3.45Å; P495-M499 PolarHBondContact O-N 3.16Å |
| 496 | Y | 84.5 | Confident | 72.8 | Confident | 50 Ų | 50 | 68.2 Ų | 68.2 | 20% | 0.196 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60.6 | -48.8 | 176.4 | 176.8 | -92.8 | 0 | 0 | 0 | 112.1 | M456 W460 D492 L493 S494 N498 M499 N500 | M456-Y496 HydrophobicContact CB-CD1 3.96Å; M456-Y496 HydrophobicContact CB-CD2 3.99Å; M456-Y496 HydrophobicContact CB-CE1 3.63Å; M456-Y496 HydrophobicContact CB-CE2 3.66Å; M456-Y496 HydrophobicContact CB-CG 4.13Å; M456-Y496 VanDerWaalsContact CB-CZ 3.46Å; M456-Y496 HydrophobicContact CG-CD2 4.1Å; M456-Y496 HydrophobicContact CG-CE2 4.1Å; M456-Y496 HydrophobicContact CG-CG 4.38Å; W460-Y496 HydrophobicContact CE3-CE1 4.29Å; D492-Y496 WeakPolarHBondContact O-CB 3.35Å; D492-Y496 PolarHBondContact O-N 3.43Å; D492-Y496 VanDerWaalsContact O-N 3.15Å; L493-Y496 WeakPolarHBondContact O-CB 3.41Å; L493-Y496 PolarHBondContact O-N 2.84Å; S494-Y496 VanDerWaalsContact C-N 3.34Å; S494-Y496 PolarHBondContact O-N 3.42Å; Y496-N498 PolarHBondContact O-N 3.29Å; Y496-M499 PolarHBondContact O-N 2.94Å; Y496-N500 WeakPolarHBondContact CE1-ND2 3.49Å; Y496-N500 PolarHBondContact O-N 3.37Å; Y496-N500 PolarHBondContact OH-ND2 3.06Å |
| 497 | Q | 83.4 | Confident | 70 | Confident | 23 Ų | 23 | 67.3 Ų | 67.3 | 11% | 0.107 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -57.3 | -48.5 | 175.5 | -74.4 | 170.4 | -11.6 | 0 | 0 | 111.2 | W460 D463 L493 S494 M499 N500 V501 | W460-Q497 HydrophobicContact CD2-CG 3.89Å; W460-Q497 HydrophobicContact CE3-CG 4.47Å; W460-Q497 HydrophobicContact CG-CG 3.92Å; D463-Q497 PolarHBondContact OD2-NE2 2.96Å; L493-Q497 HydrophobicContact CG-CG 4.4Å; L493-Q497 WeakPolarHBondContact O-CB 3.49Å; L493-Q497 VanDerWaalsContact O-CG 3.3Å; L493-Q497 WeakPolarHBondContact O-CG 3.17Å; L493-Q497 PolarHBondContact O-N 2.91Å; S494-Q497 PolarHBondContact O-N 3.31Å; Q497-M499 VanDerWaalsContact C-N 3.33Å; Q497-M499 PolarHBondContact O-N 3.28Å; Q497-N500 PolarHBondContact O-N 3.12Å; Q497-V501 WeakPolarHBondContact O-CB 3.35Å; Q497-V501 VanDerWaalsContact O-CG2 3.29Å; Q497-V501 WeakPolarHBondContact O-CG2 3.34Å; Q497-V501 PolarHBondContact O-N 3.34Å |
| 498 | N | 81.3 | Confident | 67.2 | Low | 114 Ų | 114 | 69.2 Ų | 69.2 | 61% | 0.61 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -61.9 | -40.3 | 179.1 | -75.1 | -38.7 | 0 | 0 | 0 | 112.3 | S494 P495 Y496 S502 | S494-N498 WeakPolarHBondContact O-CB 3.42Å; S494-N498 VanDerWaalsContact O-CG 3.26Å; S494-N498 PolarHBondContact O-N 3.44Å; S494-N498 PolarHBondContact O-ND2 2.96Å; P495-N498 PolarHBondContact O-N 2.98Å; Y496-N498 PolarHBondContact O-N 3.29Å; N498-S502 WeakPolarHBondContact O-CB 3.32Å; N498-S502 PolarHBondContact O-N 2.99Å |
| 499 | M | 76.3 | Confident | 64.3 | Low | 94 Ų | 94 | 73.5 Ų | 73.5 | 46% | 0.463 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62.9 | -43.6 | 176 | -169.8 | 176 | 75.1 | 0 | 0 | 111.2 | P495 Y496 Q497 S502 L503 | P495-M499 WeakPolarHBondContact O-CB 3.45Å; P495-M499 PolarHBondContact O-N 3.16Å; Y496-M499 PolarHBondContact O-N 2.94Å; Q497-M499 VanDerWaalsContact C-N 3.33Å; Q497-M499 PolarHBondContact O-N 3.28Å; M499-S502 PolarHBondContact O-N 3.25Å; M499-S502 PolarHBondContact O-OG 2.89Å; M499-L503 PolarHBondContact O-N 3.2Å |
| 500 | N | 68.2 | Low | 61.4 | Low | 34 Ų | 34 | 76.9 Ų | 76.9 | 18% | 0.182 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -73.2 | -40.1 | -179.7 | -74.9 | -23.6 | 0 | 0 | 0 | 113.3 | W460 Y496 Q497 S502 L503 V504 | W460-N500 HydrophobicContact CZ3-CB 4.27Å; Y496-N500 WeakPolarHBondContact CE1-ND2 3.49Å; Y496-N500 PolarHBondContact O-N 3.37Å; Y496-N500 PolarHBondContact OH-ND2 3.06Å; Q497-N500 PolarHBondContact O-N 3.12Å; N500-S502 PolarHBondContact O-N 3.39Å; N500-L503 WeakPolarHBondContact O-CB 3.28Å; N500-L503 PolarHBondContact O-N 3.15Å; N500-L503 VanDerWaalsContact O-N 3.11Å; N500-V504 PolarHBondContact O-N 2.83Å |
| 501 | V | 63.9 | Low | 58.6 | Low | 54 Ų | 54 | 74.9 Ų | 74.9 | 33% | 0.327 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -61.9 | -36.3 | 173.3 | 172.6 | 0 | 0 | 0 | 0 | 110.9 | Q497 L503 V504 K505 | Q497-V501 WeakPolarHBondContact O-CB 3.35Å; Q497-V501 VanDerWaalsContact O-CG2 3.29Å; Q497-V501 WeakPolarHBondContact O-CG2 3.34Å; Q497-V501 PolarHBondContact O-N 3.34Å; V501-L503 VanDerWaalsContact C-N 3.26Å; V501-L503 PolarHBondContact O-N 3.32Å; V501-V504 PolarHBondContact O-N 2.88Å; V501-K505 HydrophobicContact CG1-CD 4.02Å; V501-K505 HydrophobicContact CG1-CG 4.35Å; V501-K505 WeakPolarHBondContact O-CB 3.3Å; V501-K505 WeakPolarHBondContact O-CG 3.49Å; V501-K505 PolarHBondContact O-N 3.33Å |
| 502 | S | 41.9 | Very low | 55.8 | Low | 49 Ų | 49 | 81.4 Ų | 81.4 | 34% | 0.343 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -65.8 | -27.4 | 176.9 | 80.4 | 0 | 0 | 0 | 0 | 113.4 | N498 M499 N500 R506 | N498-S502 WeakPolarHBondContact O-CB 3.32Å; N498-S502 PolarHBondContact O-N 2.99Å; M499-S502 PolarHBondContact O-N 3.25Å; M499-S502 PolarHBondContact O-OG 2.89Å; N500-S502 PolarHBondContact O-N 3.39Å; S502-R506 WeakPolarHBondContact O-CG 3.39Å; S502-R506 PolarHBondContact O-N 3.16Å; S502-R506 VanDerWaalsContact O-N 3.16Å |
| 503 | L | 40 | Very low | 53 | Low | 32 Ų | 32 | 85.5 Ų | 85.5 | 17% | 0.168 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -72.4 | -44.7 | 174.6 | -71.2 | 162.8 | 0 | 0 | 0 | 111.7 | M499 N500 V501 K505 R506 F536 R544 | M499-L503 PolarHBondContact O-N 3.2Å; N500-L503 WeakPolarHBondContact O-CB 3.28Å; N500-L503 PolarHBondContact O-N 3.15Å; N500-L503 VanDerWaalsContact O-N 3.11Å; V501-L503 VanDerWaalsContact C-N 3.26Å; V501-L503 PolarHBondContact O-N 3.32Å; L503-K505 VanDerWaalsContact C-N 3.33Å; L503-K505 PolarHBondContact O-N 3.04Å; L503-R506 PolarHBondContact O-N 3.24Å; L503-F536 HydrophobicContact CD2-CE2 3.72Å; L503-F536 HydrophobicContact CD2-CZ 3.95Å; L503-R544 VanDerWaalsContact CD2-NH1 3.28Å |
| 504 | V | 36.3 | Very low | 50.2 | Low | 114 Ų | 114 | 89.9 Ų | 89.9 | 69% | 0.691 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.6 | -40 | 176.9 | -179 | 0 | 0 | 0 | 0 | 110.3 | N500 V501 R506 A507 | N500-V504 PolarHBondContact O-N 2.83Å; V501-V504 PolarHBondContact O-N 2.88Å; V504-R506 VanDerWaalsContact C-N 3.32Å; V504-R506 PolarHBondContact O-N 2.85Å; V504-A507 WeakPolarHBondContact O-CB 3.39Å; V504-A507 PolarHBondContact O-N 2.92Å |
| 505 | K | 33.9 | Very low | 47.5 | Very low | 166 Ų | 166 | 95 Ų | 95 | 72% | 0.722 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -71.9 | -17.9 | 176.6 | -73 | -178.2 | -179.8 | 176.7 | 0 | 114.9 | V501 L503 A507 | V501-K505 HydrophobicContact CG1-CD 4.02Å; V501-K505 HydrophobicContact CG1-CG 4.35Å; V501-K505 WeakPolarHBondContact O-CB 3.3Å; V501-K505 WeakPolarHBondContact O-CG 3.49Å; V501-K505 PolarHBondContact O-N 3.33Å; L503-K505 VanDerWaalsContact C-N 3.33Å; L503-K505 PolarHBondContact O-N 3.04Å; K505-A507 VanDerWaalsContact C-N 3.27Å |
| 506 | R | 31.4 | Very low | 44.9 | Very low | 203 Ų | 203 | 101 Ų | 101 | 77% | 0.766 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | -5.7 | 173.2 | -87.6 | -175.6 | -172.5 | 171.6 | 5 | 113.2 | S502 L503 V504 | S502-R506 WeakPolarHBondContact O-CG 3.39Å; S502-R506 PolarHBondContact O-N 3.16Å; S502-R506 VanDerWaalsContact O-N 3.16Å; L503-R506 PolarHBondContact O-N 3.24Å; V504-R506 VanDerWaalsContact C-N 3.32Å; V504-R506 PolarHBondContact O-N 2.85Å |
| 507 | A | 26.1 | Very low | 42.4 | Very low | 62 Ų | 62 | 103.4 Ų | 103.4 | 51% | 0.512 | 59% | 0.588 | S | S | . | * | S | Bend | trans | -61.6 | 124.5 | 160 | 0 | 0 | 0 | 0 | 0 | 107.8 | V504 K505 A509 | V504-A507 WeakPolarHBondContact O-CB 3.39Å; V504-A507 PolarHBondContact O-N 2.92Å; K505-A507 VanDerWaalsContact C-N 3.27Å; A507-A509 PolarHBondContact O-N 2.87Å; A507-A509 VanDerWaalsContact O-N 3.12Å |
| 508 | P | 29.5 | Very low | 40 | Very low | 88 Ų | 88 | 111 Ų | 111 | 57% | 0.571 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 125.7 | 179.2 | 24.2 | -30.9 | 0 | 0 | 0 | 107.5 | A510 | P508-A510 PolarHBondContact O-N 2.98Š|
| 509 | A | 29.4 | Very low | 37.7 | Very low | 94 Ų | 94 | 112.2 Ų | 112.2 | 78% | 0.777 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -46.9 | 120.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 107.3 | A507 | A507-A509 PolarHBondContact O-N 2.87Å; A507-A509 VanDerWaalsContact O-N 3.12Å |
| 510 | A | 28.6 | Very low | 35.7 | Very low | 84 Ų | 84 | 113.5 Ų | 113.5 | 69% | 0.694 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -48.2 | 133 | 175.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | P508 K512 | P508-A510 PolarHBondContact O-N 2.98Å; A510-K512 PolarHBondContact O-N 2.89Å |
| 511 | P | 29.6 | Very low | 34.1 | Very low | 107 Ų | 107 | 117.7 Ų | 117.7 | 70% | 0.695 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 132.3 | -179.3 | 21.8 | -29.6 | 0 | 0 | 0 | 108 | V513 | P511-V513 VanDerWaalsContact C-N 3.25Å; P511-V513 HydrophobicContact CG-CG2 4.47Å; P511-V513 WeakPolarHBondContact O-CG2 3.17Å; P511-V513 PolarHBondContact O-N 3.17Å |
| 512 | K | 30.2 | Very low | 33.1 | Very low | 217 Ų | 217 | 121.5 Ų | 121.5 | 94% | 0.943 | 69% | 0.688 | S | S | * | * | trans | -60.4 | 91.6 | 171.5 | -74.1 | -177.7 | 175.3 | -177.4 | 0 | 107.9 | A510 S514 | A510-K512 PolarHBondContact O-N 2.89Å; K512-S514 PolarHBondContact O-N 3.38Å | ||
| 513 | V | 32 | Very low | 33 | Very low | 111 Ų | 111 | 122.4 Ų | 122.4 | 67% | 0.673 | 69% | 0.692 | S | S | * | * | trans | -78.3 | 113.9 | 174.4 | -177.4 | 0 | 0 | 0 | 0 | 106.8 | P511 T515 | P511-V513 VanDerWaalsContact C-N 3.25Å; P511-V513 HydrophobicContact CG-CG2 4.47Å; P511-V513 WeakPolarHBondContact O-CG2 3.17Å; P511-V513 PolarHBondContact O-N 3.17Å; V513-T515 PolarHBondContact O-N 2.84Å | ||
| 514 | S | 30.8 | Very low | 33.1 | Very low | 93 Ų | 93 | 126 Ų | 126 | 65% | 0.65 | 71% | 0.71 | S | S | * | * | trans | -48.5 | 129.7 | 175.2 | 48.4 | 0 | 0 | 0 | 0 | 111.2 | K512 E516 | K512-S514 PolarHBondContact O-N 3.38Å; S514-E516 PolarHBondContact O-N 3.37Å | ||
| 515 | T | 31.4 | Very low | 33.4 | Very low | 141 Ų | 141 | 123.2 Ų | 123.2 | 87% | 0.865 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -65.3 | 69.9 | 177.1 | 48.5 | 0 | 0 | 0 | 0 | 111.8 | V513 | V513-T515 PolarHBondContact O-N 2.84Š|
| 516 | E | 34.4 | Very low | 33.8 | Very low | 190 Ų | 190 | 121 Ų | 121 | 89% | 0.888 | 69% | 0.691 | S | S | * | * | trans | -170.8 | 52.7 | 171 | -114.7 | 172.8 | -143.9 | 0 | 0 | 113.1 | S514 | S514-E516 PolarHBondContact O-N 3.37Š| ||
| 517 | S | 32.6 | Very low | 34.9 | Very low | 101 Ų | 101 | 116.7 Ų | 116.7 | 71% | 0.706 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -164.1 | 134.9 | 160.5 | 52.1 | 0 | 0 | 0 | 0 | 112.3 | ||
| 518 | K | 31.7 | Very low | 36.1 | Very low | 183 Ų | 183 | 119.4 Ų | 119.4 | 80% | 0.796 | 68% | 0.682 | S | S | * | * | trans | -34.4 | 138.7 | 176.7 | -67.1 | 168.3 | 175.5 | 175.5 | 0 | 113.7 | V520 | K518-V520 PolarHBondContact O-N 3.38Š| ||
| 519 | P | 34.5 | Very low | 37 | Very low | 140 Ų | 140 | 119.4 Ų | 119.4 | 91% | 0.909 | 68% | 0.676 | S | S | * | * | trans | -69.5 | 101.7 | 174.8 | 29.5 | -30.5 | 0 | 0 | 0 | 108.5 | ||||
| 520 | V | 33.6 | Very low | 38.2 | Very low | 120 Ų | 120 | 117.8 Ų | 117.8 | 73% | 0.727 | 66% | 0.663 | S | S | * | * | trans | -105.9 | 108.8 | 167 | 175.6 | 0 | 0 | 0 | 0 | 105.7 | K518 | K518-V520 PolarHBondContact O-N 3.38Š| ||
| 521 | L | 33.9 | Very low | 39.9 | Very low | 123 Ų | 123 | 119.5 Ų | 119.5 | 64% | 0.644 | 66% | 0.657 | S | S | * | * | trans | 60.1 | 91.8 | 163 | -77.8 | 139.2 | 0 | 0 | 0 | 118 | V523 | L521-V523 HydrophobicContact CD2-CB 4.22Å; L521-V523 HydrophobicContact CD2-CG2 3.83Å; L521-V523 PolarHBondContact O-N 3.25Å | ||
| 522 | D | 43.4 | Very low | 41.1 | Very low | 133 Ų | 133 | 119.6 Ų | 119.6 | 71% | 0.711 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.6 | -11.7 | 165.7 | -127.2 | -17.2 | 0 | 0 | 0 | 114.1 | I524 A525 E526 | D522-I524 VanDerWaalsContact C-N 3.34Å; D522-I524 PolarHBondContact O-N 3.47Å; D522-A525 PolarHBondContact O-N 3.13Å; D522-E526 PolarHBondContact O-N 2.79Å |
| 523 | V | 39.8 | Very low | 41.9 | Very low | 69 Ų | 69 | 115 Ų | 115 | 42% | 0.418 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -65.2 | -34.3 | -173.4 | -178.5 | 0 | 0 | 0 | 0 | 112.5 | L521 A525 E527 | L521-V523 HydrophobicContact CD2-CB 4.22Å; L521-V523 HydrophobicContact CD2-CG2 3.83Å; L521-V523 PolarHBondContact O-N 3.25Å; V523-A525 VanDerWaalsContact C-N 3.34Å; V523-E527 WeakPolarHBondContact O-CB 3.46Å; V523-E527 PolarHBondContact O-N 2.72Å; V523-E527 VanDerWaalsContact O-N 3.1Å |
| 524 | I | 42.2 | Very low | 43.1 | Very low | 107 Ų | 107 | 112.9 Ų | 112.9 | 55% | 0.549 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -72.1 | -31.4 | 179.9 | -58.2 | 176.4 | 0 | 0 | 0 | 110.9 | D522 Q528 | D522-I524 VanDerWaalsContact C-N 3.34Å; D522-I524 PolarHBondContact O-N 3.47Å; I524-Q528 WeakPolarHBondContact O-CB 3.49Å; I524-Q528 VanDerWaalsContact O-CG 3.29Å; I524-Q528 WeakPolarHBondContact O-CG 3.25Å; I524-Q528 PolarHBondContact O-N 3.26Å; I524-Q528 VanDerWaalsContact O-N 3.09Å |
| 525 | A | 42.4 | Very low | 44.5 | Very low | 55 Ų | 55 | 112.7 Ų | 112.7 | 46% | 0.455 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -74.1 | -41.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | D522 V523 L529 | D522-A525 PolarHBondContact O-N 3.13Å; V523-A525 VanDerWaalsContact C-N 3.34Å; A525-L529 VanDerWaalsContact O-CB 3.3Å; A525-L529 WeakPolarHBondContact O-CB 3.35Å; A525-L529 PolarHBondContact O-N 2.94Å |
| 526 | E | 42.7 | Very low | 45.2 | Very low | 121 Ų | 121 | 110.1 Ų | 110.1 | 57% | 0.565 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -63.2 | -43.2 | 173.3 | -89.7 | -169.4 | 143.4 | 0 | 0 | 112.3 | D522 L529 A530 | D522-E526 PolarHBondContact O-N 2.79Å; E526-L529 PolarHBondContact O-N 3.42Å; E526-A530 WeakPolarHBondContact O-CB 3.08Å; E526-A530 PolarHBondContact O-N 3.15Å |
| 527 | E | 54.5 | Low | 45.8 | Very low | 112 Ų | 112 | 105.7 Ų | 105.7 | 52% | 0.523 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -65.6 | -41.9 | 179.7 | -163.3 | 168.9 | -154.4 | 0 | 0 | 111.3 | V523 L529 A530 Q531 | V523-E527 WeakPolarHBondContact O-CB 3.46Å; V523-E527 PolarHBondContact O-N 2.72Å; V523-E527 VanDerWaalsContact O-N 3.1Å; E527-L529 PolarHBondContact O-N 3.32Å; E527-A530 PolarHBondContact O-N 2.91Å; E527-Q531 WeakPolarHBondContact O-CB 3.27Å; E527-Q531 PolarHBondContact O-N 3.45Å |
| 528 | Q | 51.8 | Low | 47 | Very low | 119 Ų | 119 | 105.6 Ų | 105.6 | 56% | 0.556 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -64.2 | -38.8 | 172 | -74.6 | -175.2 | 3.8 | 0 | 0 | 112.4 | I524 Q531 K532 | I524-Q528 WeakPolarHBondContact O-CB 3.49Å; I524-Q528 VanDerWaalsContact O-CG 3.29Å; I524-Q528 WeakPolarHBondContact O-CG 3.25Å; I524-Q528 PolarHBondContact O-N 3.26Å; I524-Q528 VanDerWaalsContact O-N 3.09Å; Q528-Q531 PolarHBondContact O-N 3.47Å; Q528-K532 VanDerWaalsContact O-CB 3.29Å; Q528-K532 WeakPolarHBondContact O-CB 3.33Å; Q528-K532 WeakPolarHBondContact O-CG 3.5Å; Q528-K532 PolarHBondContact O-N 3.25Å |
| 529 | L | 47.6 | Very low | 48.2 | Very low | 88 Ų | 88 | 102.3 Ų | 102.3 | 46% | 0.461 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -67.9 | -40.8 | 177.6 | -172.7 | 68.5 | 0 | 0 | 0 | 111.6 | A525 E526 E527 K532 R533 | A525-L529 VanDerWaalsContact O-CB 3.3Å; A525-L529 WeakPolarHBondContact O-CB 3.35Å; A525-L529 PolarHBondContact O-N 2.94Å; E526-L529 PolarHBondContact O-N 3.42Å; E527-L529 PolarHBondContact O-N 3.32Å; L529-K532 PolarHBondContact O-N 3Å; L529-R533 WeakPolarHBondContact O-CB 3.07Å; L529-R533 VanDerWaalsContact O-CG 3.28Å; L529-R533 WeakPolarHBondContact O-CG 3.38Å; L529-R533 PolarHBondContact O-N 2.79Å |
| 530 | A | 54.8 | Low | 48.8 | Very low | 59 Ų | 59 | 98.8 Ų | 98.8 | 49% | 0.488 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.4 | -43.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | E526 E527 R533 S534 | E526-A530 WeakPolarHBondContact O-CB 3.08Å; E526-A530 PolarHBondContact O-N 3.15Å; E527-A530 PolarHBondContact O-N 2.91Å; A530-R533 PolarHBondContact O-N 2.89Å; A530-S534 WeakPolarHBondContact O-CB 3.41Å; A530-S534 PolarHBondContact O-N 2.89Å |
| 531 | Q | 63.7 | Low | 49.3 | Very low | 121 Ų | 121 | 97.6 Ų | 97.6 | 57% | 0.565 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62.4 | -46.2 | 175 | -170.3 | 167.9 | 7.4 | 0 | 0 | 111.5 | E527 Q528 R533 S534 E535 | E527-Q531 WeakPolarHBondContact O-CB 3.27Å; E527-Q531 PolarHBondContact O-N 3.45Å; Q528-Q531 PolarHBondContact O-N 3.47Å; Q531-R533 VanDerWaalsContact C-N 3.34Å; Q531-R533 PolarHBondContact O-N 3.01Å; Q531-S534 WeakPolarHBondContact O-CB 3.39Å; Q531-S534 PolarHBondContact O-N 3.46Å; Q531-E535 WeakPolarHBondContact O-CG 3.49Å; Q531-E535 PolarHBondContact O-N 2.97Å |
| 532 | K | 55.8 | Low | 50.5 | Low | 109 Ų | 109 | 95.4 Ų | 95.4 | 47% | 0.474 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61 | -38.5 | 175 | -71.2 | -88.8 | -178.8 | -176.2 | 0 | 112.6 | Q528 L529 F536 | Q528-K532 VanDerWaalsContact O-CB 3.29Å; Q528-K532 WeakPolarHBondContact O-CB 3.33Å; Q528-K532 WeakPolarHBondContact O-CG 3.5Å; Q528-K532 PolarHBondContact O-N 3.25Å; L529-K532 PolarHBondContact O-N 3Å; K532-F536 WeakPolarHBondContact O-CB 3.46Å; K532-F536 PolarHBondContact O-N 2.78Å |
| 533 | R | 46.4 | Very low | 51.1 | Low | 121 Ų | 121 | 95.4 Ų | 95.4 | 46% | 0.457 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -67.5 | -42 | 175.3 | -78.3 | 175.4 | 177.8 | -179.1 | 0.4 | 111.4 | L529 A530 Q531 F536 I537 | L529-R533 WeakPolarHBondContact O-CB 3.07Å; L529-R533 VanDerWaalsContact O-CG 3.28Å; L529-R533 WeakPolarHBondContact O-CG 3.38Å; L529-R533 PolarHBondContact O-N 2.79Å; A530-R533 PolarHBondContact O-N 2.89Å; Q531-R533 VanDerWaalsContact C-N 3.34Å; Q531-R533 PolarHBondContact O-N 3.01Å; R533-F536 WeakPolarHBondContact O-CB 3.46Å; R533-F536 PolarHBondContact O-N 3.47Å; R533-I537 WeakPolarHBondContact O-CG1 3.35Å; R533-I537 PolarHBondContact O-N 3.03Å |
| 534 | S | 57.2 | Low | 51.4 | Low | 65 Ų | 65 | 95.6 Ų | 95.6 | 46% | 0.455 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.5 | -44.9 | 174.1 | -173.7 | 0 | 0 | 0 | 0 | 111.5 | A530 Q531 F536 I537 M538 | A530-S534 WeakPolarHBondContact O-CB 3.41Å; A530-S534 PolarHBondContact O-N 2.89Å; Q531-S534 WeakPolarHBondContact O-CB 3.39Å; Q531-S534 PolarHBondContact O-N 3.46Å; S534-F536 VanDerWaalsContact C-N 3.31Å; S534-F536 PolarHBondContact O-N 3.46Å; S534-I537 PolarHBondContact O-N 3.02Å; S534-M538 WeakPolarHBondContact O-CB 3.44Å; S534-M538 WeakPolarHBondContact O-CG 3.49Å; S534-M538 PolarHBondContact O-N 3.49Å |
| 535 | E | 59.9 | Low | 51.4 | Low | 89 Ų | 89 | 93.7 Ų | 93.7 | 42% | 0.416 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -58.4 | -41.1 | 172.7 | -73.9 | 174.6 | -178.3 | 0 | 0 | 112 | Q531 M538 Q539 | Q531-E535 WeakPolarHBondContact O-CG 3.49Å; Q531-E535 PolarHBondContact O-N 2.97Å; E535-M538 PolarHBondContact O-N 3.17Å; E535-Q539 WeakPolarHBondContact O-CB 3.41Å; E535-Q539 WeakPolarHBondContact O-CG 3.46Å; E535-Q539 PolarHBondContact O-N 3.14Å |
| 536 | F | 46.1 | Very low | 51.7 | Low | 88 Ų | 88 | 91.5 Ų | 91.5 | 39% | 0.386 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -66.6 | -44.9 | 177.6 | -179.4 | -104.2 | 0 | 0 | 0 | 112.6 | L503 K532 R533 S534 M538 Q539 L540 | L503-F536 HydrophobicContact CD2-CE2 3.72Å; L503-F536 HydrophobicContact CD2-CZ 3.95Å; K532-F536 WeakPolarHBondContact O-CB 3.46Å; K532-F536 PolarHBondContact O-N 2.78Å; R533-F536 WeakPolarHBondContact O-CB 3.46Å; R533-F536 PolarHBondContact O-N 3.47Å; S534-F536 VanDerWaalsContact C-N 3.31Å; S534-F536 PolarHBondContact O-N 3.46Å; F536-M538 VanDerWaalsContact C-N 3.33Å; F536-M538 PolarHBondContact O-N 3.46Å; F536-Q539 PolarHBondContact O-N 2.87Å; F536-L540 HydrophobicContact CE1-CD1 4.46Å; F536-L540 HydrophobicContact CZ-CD1 4.29Å; F536-L540 WeakPolarHBondContact O-CB 3.24Å; F536-L540 PolarHBondContact O-N 3.43Å |
| 537 | I | 48.5 | Very low | 52.2 | Low | 96 Ų | 96 | 93 Ų | 93 | 49% | 0.492 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -61 | -44.7 | 175.7 | -68.2 | 168.4 | 0 | 0 | 0 | 110 | R533 S534 Q539 L540 M541 | R533-I537 WeakPolarHBondContact O-CG1 3.35Å; R533-I537 PolarHBondContact O-N 3.03Å; S534-I537 PolarHBondContact O-N 3.02Å; I537-Q539 VanDerWaalsContact C-N 3.34Å; I537-Q539 PolarHBondContact O-N 3.36Å; I537-L540 WeakPolarHBondContact O-CB 3.37Å; I537-L540 PolarHBondContact O-N 3.13Å; I537-L540 VanDerWaalsContact O-N 3.17Å; I537-M541 HydrophobicContact CG2-CG 4.46Å; I537-M541 WeakPolarHBondContact O-CG 3.49Å; I537-M541 PolarHBondContact O-N 3.44Å |
| 538 | M | 56.4 | Low | 51.6 | Low | 99 Ų | 99 | 91.1 Ų | 91.1 | 49% | 0.488 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -59.6 | -42.2 | 174.4 | -78.7 | -81.8 | -74.4 | 0 | 0 | 112.1 | S534 E535 F536 M541 N542 | S534-M538 WeakPolarHBondContact O-CB 3.44Å; S534-M538 WeakPolarHBondContact O-CG 3.49Å; S534-M538 PolarHBondContact O-N 3.49Å; E535-M538 PolarHBondContact O-N 3.17Å; F536-M538 VanDerWaalsContact C-N 3.33Å; F536-M538 PolarHBondContact O-N 3.46Å; M538-M541 PolarHBondContact O-N 3.29Å; M538-N542 VanDerWaalsContact O-CB 3.26Å; M538-N542 WeakPolarHBondContact O-CB 3.28Å; M538-N542 PolarHBondContact O-N 3.41Å |
| 539 | Q | 56.7 | Low | 51.1 | Low | 115 Ų | 115 | 90.2 Ų | 90.2 | 54% | 0.537 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -66.2 | -37.6 | 174.5 | -76.2 | -179.2 | 22.1 | 0 | 0 | 112.6 | E535 F536 I537 K543 | E535-Q539 WeakPolarHBondContact O-CB 3.41Å; E535-Q539 WeakPolarHBondContact O-CG 3.46Å; E535-Q539 PolarHBondContact O-N 3.14Å; F536-Q539 PolarHBondContact O-N 2.87Å; I537-Q539 VanDerWaalsContact C-N 3.34Å; I537-Q539 PolarHBondContact O-N 3.36Å; Q539-K543 WeakPolarHBondContact O-CB 3.36Å; Q539-K543 PolarHBondContact O-N 3.1Å |
| 540 | L | 46.8 | Very low | 50.6 | Low | 66 Ų | 66 | 89.6 Ų | 89.6 | 35% | 0.346 | 46% | 0.462 | S | S | . | . | I | π-helix | trans | -62.1 | -48.1 | 175.1 | -160.4 | 89.2 | 0 | 0 | 0 | 110.2 | F536 I537 R544 I545 | F536-L540 HydrophobicContact CE1-CD1 4.46Å; F536-L540 HydrophobicContact CZ-CD1 4.29Å; F536-L540 WeakPolarHBondContact O-CB 3.24Å; F536-L540 PolarHBondContact O-N 3.43Å; I537-L540 WeakPolarHBondContact O-CB 3.37Å; I537-L540 PolarHBondContact O-N 3.13Å; I537-L540 VanDerWaalsContact O-N 3.17Å; L540-R544 HydrophobicContact CD1-CB 4.47Å; L540-R544 WeakPolarHBondContact O-CB 3.43Å; L540-R544 PolarHBondContact O-N 3.46Å; L540-I545 PolarHBondContact O-N 2.94Å |
| 541 | M | 44.6 | Very low | 50 | Low | 95 Ų | 95 | 89.5 Ų | 89.5 | 47% | 0.468 | 46% | 0.456 | S | S | . | . | I | π-helix | trans | -67 | -42.9 | 179.2 | -65.8 | -148.6 | -56.1 | 0 | 0 | 113 | I537 M538 I545 P546 | I537-M541 HydrophobicContact CG2-CG 4.46Å; I537-M541 WeakPolarHBondContact O-CG 3.49Å; I537-M541 PolarHBondContact O-N 3.44Å; M538-M541 PolarHBondContact O-N 3.29Å; M541-I545 HydrophobicContact CG-CD1 4.38Å; M541-P546 WeakPolarHBondContact O-CD 3.4Å |
| 542 | N | 60.1 | Low | 49.2 | Very low | 76 Ų | 76 | 86.3 Ų | 86.3 | 41% | 0.406 | 45% | 0.447 | S | S | . | . | I | π-helix | trans | -88.9 | -21.5 | -171.9 | -70.6 | -17.2 | 0 | 0 | 0 | 115 | M538 | M538-N542 VanDerWaalsContact O-CB 3.26Å; M538-N542 WeakPolarHBondContact O-CB 3.28Å; M538-N542 PolarHBondContact O-N 3.41Å |
| 543 | K | 54.5 | Low | 48.6 | Very low | 134 Ų | 134 | 84.9 Ų | 84.9 | 58% | 0.583 | 45% | 0.447 | S | S | * | . | I | π-helix | trans | -114.7 | -50.6 | 179.4 | -73.7 | -173.8 | 173.2 | -177.6 | 0 | 112.8 | Q539 E547 | Q539-K543 WeakPolarHBondContact O-CB 3.36Å; Q539-K543 PolarHBondContact O-N 3.1Å; K543-E547 WeakPolarHBondContact O-CB 3.41Å; K543-E547 WeakPolarHBondContact O-CG 3.41Å; K543-E547 PolarHBondContact O-N 3.23Å; K543-E547 VanDerWaalsContact O-N 3.09Å |
| 544 | R | 46.7 | Very low | 48.8 | Very low | 72 Ų | 72 | 84.7 Ų | 84.7 | 27% | 0.272 | 45% | 0.451 | S | S | . | . | I | π-helix | trans | -80.6 | -37.8 | -168.7 | -77.4 | 175.3 | 157.2 | -143.5 | -4 | 114 | L503 L540 E547 A548 | L503-R544 VanDerWaalsContact CD2-NH1 3.28Å; L540-R544 HydrophobicContact CD1-CB 4.47Å; L540-R544 WeakPolarHBondContact O-CB 3.43Å; L540-R544 PolarHBondContact O-N 3.46Å; R544-E547 PolarHBondContact O-N 3.19Å; R544-A548 WeakPolarHBondContact O-CB 3.35Å; R544-A548 PolarHBondContact O-N 2.85Å |
| 545 | I | 43 | Very low | 48.2 | Very low | 67 Ų | 67 | 84.7 Ų | 84.7 | 34% | 0.344 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63.2 | -48.2 | 174.2 | -66.2 | -179 | 0 | 0 | 0 | 110.4 | L540 M541 E547 A548 Y549 | L540-I545 PolarHBondContact O-N 2.94Å; M541-I545 HydrophobicContact CG-CD1 4.38Å; I545-E547 PolarHBondContact O-N 3.38Å; I545-A548 PolarHBondContact O-N 3.36Å; I545-Y549 HydrophobicContact CB-CD2 4.34Å; I545-Y549 HydrophobicContact CG2-CD2 3.78Å; I545-Y549 HydrophobicContact CG2-CE2 4.33Å; I545-Y549 WeakPolarHBondContact O-CB 3.38Å; I545-Y549 VanDerWaalsContact O-CD2 3.29Å; I545-Y549 WeakPolarHBondContact O-CD2 3.45Å; I545-Y549 PolarHBondContact O-N 3.23Å |
| 546 | P | 47.1 | Very low | 47.4 | Very low | 9 Ų | 9 | 84.3 Ų | 84.3 | 6% | 0.058 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -53.2 | -50.2 | 171.1 | -34.5 | 40.5 | 0 | 0 | 0 | 114.2 | M541 G550 V551 V553 I556 | M541-P546 WeakPolarHBondContact O-CD 3.4Å; P546-G550 PolarHBondContact O-N 3.34Å; P546-V551 WeakPolarHBondContact CA-O 3.41Å; P546-V551 WeakPolarHBondContact CB-O 3.38Å; P546-V551 PolarHBondContact O-N 3.26Å; P546-V553 HydrophobicContact CB-CG2 3.89Å; P546-V553 HydrophobicContact CG-CG2 4.07Å; P546-I556 HydrophobicContact CG-CD1 3.7Å |
| 547 | E | 53.4 | Low | 47.2 | Very low | 153 Ų | 153 | 82.5 Ų | 82.5 | 72% | 0.715 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -66 | -37.9 | -179 | -75.5 | 170.8 | -178.1 | 0 | 0 | 112.9 | K543 R544 I545 | K543-E547 WeakPolarHBondContact O-CB 3.41Å; K543-E547 WeakPolarHBondContact O-CG 3.41Å; K543-E547 PolarHBondContact O-N 3.23Å; K543-E547 VanDerWaalsContact O-N 3.09Å; R544-E547 PolarHBondContact O-N 3.19Å; I545-E547 PolarHBondContact O-N 3.38Å |
| 548 | A | 42.8 | Very low | 46.7 | Very low | 72 Ų | 72 | 85.3 Ų | 85.3 | 60% | 0.595 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -80.6 | -32.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | R544 I545 | R544-A548 WeakPolarHBondContact O-CB 3.35Å; R544-A548 PolarHBondContact O-N 2.85Å; I545-A548 PolarHBondContact O-N 3.36Å |
| 549 | Y | 41.3 | Very low | 45.6 | Very low | 101 Ų | 101 | 85.4 Ų | 85.4 | 40% | 0.396 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -108.2 | 4.7 | -174.2 | -62.6 | -74.9 | 0 | 0 | 0 | 114.2 | D453 I545 V551 | D453-Y549 PolarHBondContact OD2-OH 3.14Å; D453-Y549 VanDerWaalsContact OD2-OH 3.09Å; I545-Y549 HydrophobicContact CB-CD2 4.34Å; I545-Y549 HydrophobicContact CG2-CD2 3.78Å; I545-Y549 HydrophobicContact CG2-CE2 4.33Å; I545-Y549 WeakPolarHBondContact O-CB 3.38Å; I545-Y549 VanDerWaalsContact O-CD2 3.29Å; I545-Y549 WeakPolarHBondContact O-CD2 3.45Å; I545-Y549 PolarHBondContact O-N 3.23Å; Y549-V551 PolarHBondContact O-N 3.22Å |
| 550 | G | 37.3 | Very low | 44.5 | Very low | 74 Ų | 74 | 84.4 Ų | 84.4 | 76% | 0.763 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.4 | 23.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | P546 | P546-G550 PolarHBondContact O-N 3.34Š|
| 551 | V | 42.3 | Very low | 43.9 | Very low | 58 Ų | 58 | 88.6 Ų | 88.6 | 35% | 0.352 | 49% | 0.494 | S | S | . | . | trans | -90.4 | 119.2 | 177.5 | -174.5 | 0 | 0 | 0 | 0 | 106.3 | P546 Y549 S555 I556 | P546-V551 WeakPolarHBondContact CA-O 3.41Å; P546-V551 WeakPolarHBondContact CB-O 3.38Å; P546-V551 PolarHBondContact O-N 3.26Å; Y549-V551 PolarHBondContact O-N 3.22Å; V551-S555 WeakPolarHBondContact CG1-OG 3.2Å; V551-I556 HydrophobicContact CB-CD1 4.45Å; V551-I556 HydrophobicContact CG1-CD1 3.82Å; V551-I556 HydrophobicContact CG1-CG1 3.75Å | ||
| 552 | S | 45.7 | Very low | 43.3 | Very low | 54 Ų | 54 | 88.4 Ų | 88.4 | 38% | 0.378 | 50% | 0.499 | S | S | . | . | trans | -66.3 | 143.5 | -179.7 | 73.9 | 0 | 0 | 0 | 0 | 109.8 | E554 S555 I556 | S552-E554 WeakPolarHBondContact CB-OE2 3.32Å; S552-E554 PolarHBondContact O-N 3.28Å; S552-S555 PolarHBondContact N-OG 2.93Å; S552-S555 PolarHBondContact O-N 3.15Å; S552-S555 PolarHBondContact O-OG 3.43Å; S552-S555 WeakPolarHBondContact OG-CB 3.49Å; S552-S555 PolarHBondContact OG-N 3.03Å; S552-S555 PolarHBondContact OG-OG 3.39Å; S552-I556 PolarHBondContact O-N 3.49Å | ||
| 553 | V | 44.7 | Very low | 41.8 | Very low | 78 Ų | 78 | 93.8 Ų | 93.8 | 47% | 0.473 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60 | -30.6 | 174.5 | 178.2 | 0 | 0 | 0 | 0 | 109.9 | P546 S555 I556 A557 | P546-V553 HydrophobicContact CB-CG2 3.89Å; P546-V553 HydrophobicContact CG-CG2 4.07Å; V553-S555 VanDerWaalsContact C-N 3.33Å; V553-S555 PolarHBondContact O-N 3.28Å; V553-I556 CarbonylContact O-C 3.56Å; V553-I556 PolarHBondContact O-N 2.81Å; V553-I556 VanDerWaalsContact O-N 3.12Å; V553-A557 VanDerWaalsContact O-CB 3.22Å; V553-A557 WeakPolarHBondContact O-CB 3.31Å; V553-A557 PolarHBondContact O-N 3.5Å |
| 554 | E | 48.7 | Very low | 40.5 | Very low | 118 Ų | 118 | 94.5 Ų | 94.5 | 55% | 0.551 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.7 | -36.5 | 171.6 | -60.6 | 97.2 | -173.5 | 0 | 0 | 112.3 | S552 I556 A557 E558 | S552-E554 WeakPolarHBondContact CB-OE2 3.32Å; S552-E554 PolarHBondContact O-N 3.28Å; E554-I556 PolarHBondContact O-N 3.48Å; E554-A557 PolarHBondContact O-N 3Å; E554-E558 HydrophobicContact CB-CG 4.36Å; E554-E558 VanDerWaalsContact O-CB 3.22Å; E554-E558 WeakPolarHBondContact O-CB 3.32Å; E554-E558 VanDerWaalsContact O-CG 3.29Å; E554-E558 WeakPolarHBondContact O-CG 3.33Å; E554-E558 PolarHBondContact O-N 3.28Å |
| 555 | S | 46.3 | Very low | 39.6 | Very low | 65 Ų | 65 | 97.7 Ų | 97.7 | 46% | 0.455 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -71.1 | -11.2 | 175.1 | 69.3 | 0 | 0 | 0 | 0 | 114.6 | V551 S552 V553 | V551-S555 WeakPolarHBondContact CG1-OG 3.2Å; S552-S555 PolarHBondContact N-OG 2.93Å; S552-S555 PolarHBondContact O-N 3.15Å; S552-S555 PolarHBondContact O-OG 3.43Å; S552-S555 WeakPolarHBondContact OG-CB 3.49Å; S552-S555 PolarHBondContact OG-N 3.03Å; S552-S555 PolarHBondContact OG-OG 3.39Å; V553-S555 VanDerWaalsContact C-N 3.33Å; V553-S555 PolarHBondContact O-N 3.28Å |
| 556 | I | 42.6 | Very low | 38.8 | Very low | 81 Ų | 81 | 99.8 Ų | 99.8 | 42% | 0.415 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -103.5 | -24 | 174.6 | -56.7 | -178.9 | 0 | 0 | 0 | 110.9 | P546 V551 S552 V553 E554 | P546-I556 HydrophobicContact CG-CD1 3.7Å; V551-I556 HydrophobicContact CB-CD1 4.45Å; V551-I556 HydrophobicContact CG1-CD1 3.82Å; V551-I556 HydrophobicContact CG1-CG1 3.75Å; S552-I556 PolarHBondContact O-N 3.49Å; V553-I556 CarbonylContact O-C 3.56Å; V553-I556 PolarHBondContact O-N 2.81Å; V553-I556 VanDerWaalsContact O-N 3.12Å; E554-I556 PolarHBondContact O-N 3.48Å |
| 557 | A | 41.9 | Very low | 37.8 | Very low | 50 Ų | 50 | 110.1 Ų | 110.1 | 41% | 0.413 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -99 | -25 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | V553 E554 D559 S560 | V553-A557 VanDerWaalsContact O-CB 3.22Å; V553-A557 WeakPolarHBondContact O-CB 3.31Å; V553-A557 PolarHBondContact O-N 3.5Å; E554-A557 PolarHBondContact O-N 3Å; A557-D559 PolarHBondContact O-N 3.3Å; A557-S560 PolarHBondContact O-N 3.28Å; A557-S560 PolarHBondContact O-OG 3.03Å |
| 558 | E | 36.9 | Very low | 36.5 | Very low | 154 Ų | 154 | 111.2 Ų | 111.2 | 72% | 0.72 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | -5.1 | -178.6 | -73.4 | -176.3 | 170 | 0 | 0 | 114.3 | E554 | E554-E558 HydrophobicContact CB-CG 4.36Å; E554-E558 VanDerWaalsContact O-CB 3.22Å; E554-E558 WeakPolarHBondContact O-CB 3.32Å; E554-E558 VanDerWaalsContact O-CG 3.29Å; E554-E558 WeakPolarHBondContact O-CG 3.33Å; E554-E558 PolarHBondContact O-N 3.28Å |
| 559 | D | 33.9 | Very low | 35.7 | Very low | 101 Ų | 101 | 116.9 Ų | 116.9 | 54% | 0.54 | 62% | 0.62 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96.2 | 14.9 | 174.2 | -91.2 | -14.6 | 0 | 0 | 0 | 113.8 | A557 | A557-D559 PolarHBondContact O-N 3.3Š|
| 560 | S | 33.5 | Very low | 35 | Very low | 94 Ų | 94 | 121.3 Ų | 121.3 | 66% | 0.657 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -89.6 | -3.4 | -176.1 | 58 | 0 | 0 | 0 | 0 | 116.4 | A557 | A557-S560 PolarHBondContact O-N 3.28Å; A557-S560 PolarHBondContact O-OG 3.03Å |
| 561 | D | 34.2 | Very low | 34.5 | Very low | 154 Ų | 154 | 127.3 Ų | 127.3 | 82% | 0.824 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -124.9 | 19 | -174.6 | -86.3 | -24 | 0 | 0 | 0 | 115.6 | ||
| 562 | T | 32.5 | Very low | 33.8 | Very low | 92 Ų | 92 | 134 Ų | 134 | 56% | 0.564 | 67% | 0.668 | S | S | * | * | trans | -127.9 | 81.1 | 170.4 | 51.1 | 0 | 0 | 0 | 0 | 113 | N564 | T562-N564 PolarHBondContact O-N 3.27Š| ||
| 563 | E | 28.2 | Very low | 32.8 | Very low | 189 Ų | 189 | 136.3 Ų | 136.3 | 88% | 0.883 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48.3 | 121.3 | 149.7 | -73.9 | 179.5 | 147.7 | 0 | 0 | 108.6 | ||
| 564 | N | 28.4 | Very low | 32 | Very low | 148 Ų | 148 | 138.9 Ų | 138.9 | 79% | 0.791 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 95 | 15.1 | 164.5 | -60.3 | -44.6 | 0 | 0 | 0 | 122.9 | T562 | T562-N564 PolarHBondContact O-N 3.27Š|
| 565 | N | 27.8 | Very low | 30.9 | Very low | 140 Ų | 140 | 138.9 Ų | 138.9 | 75% | 0.749 | 71% | 0.712 | S | S | * | * | trans | -152.1 | 27.5 | 175.9 | -98 | -36.8 | 0 | 0 | 0 | 122.1 | R567 | N565-R567 VanDerWaalsContact C-N 3.31Å; N565-R567 PolarHBondContact O-N 2.99Å | ||
| 566 | L | 25.7 | Very low | 29.9 | Very low | 110 Ų | 110 | 144.2 Ų | 144.2 | 58% | 0.576 | 73% | 0.73 | S | S | * | * | trans | -82.1 | 75 | 166.2 | -85.1 | 158.8 | 0 | 0 | 0 | 112.4 | F568 | L566-F568 PolarHBondContact O-N 3.37Š| ||
| 567 | R | 24.8 | Very low | 29.1 | Very low | 226 Ų | 226 | 144.5 Ų | 144.5 | 85% | 0.853 | 74% | 0.744 | S | S | * | * | trans | -67.5 | 99.4 | 156 | -94.1 | -177.8 | 171.5 | -177.9 | -0.9 | 108.7 | N565 Q569 | N565-R567 VanDerWaalsContact C-N 3.31Å; N565-R567 PolarHBondContact O-N 2.99Å; R567-Q569 PolarHBondContact O-N 3.14Å; R567-Q569 VanDerWaalsContact O-N 3.15Å | ||
| 568 | F | 28 | Very low | 28.3 | Very low | 176 Ų | 176 | 150.4 Ų | 150.4 | 77% | 0.772 | 77% | 0.768 | S | S | * | * | trans | -63.5 | 112 | 156.2 | -92.8 | -88.2 | 0 | 0 | 0 | 108.3 | L566 W570 | L566-F568 PolarHBondContact O-N 3.37Å; F568-W570 PolarHBondContact O-N 3.07Å | ||
| 569 | Q | 24.4 | Very low | 27.9 | Very low | 192 Ų | 192 | 150.6 Ų | 150.6 | 90% | 0.897 | 77% | 0.772 | S | S | * | * | trans | -65.5 | 82.4 | 168.3 | -79.8 | -172.6 | -13.9 | 0 | 0 | 109.9 | R567 | R567-Q569 PolarHBondContact O-N 3.14Å; R567-Q569 VanDerWaalsContact O-N 3.15Å | ||
| 570 | W | 28 | Very low | 27.5 | Very low | 194 Ų | 194 | 148.8 Ų | 148.8 | 74% | 0.735 | 78% | 0.777 | S | S | * | * | trans | -75.5 | 122.6 | 150.9 | -91.3 | 73.4 | 0 | 0 | 0 | 107.8 | R338 F568 Q572 | R338-W570 VanDerWaalsContact NH1-CH2 3.31Å; R338-W570 VanDerWaalsContact NH1-CZ2 3.34Å; F568-W570 PolarHBondContact O-N 3.07Å; W570-Q572 PolarHBondContact O-N 3.23Å | ||
| 571 | K | 26.8 | Very low | 27.3 | Very low | 199 Ų | 199 | 153.5 Ų | 153.5 | 87% | 0.865 | 79% | 0.786 | S | S | * | * | trans | -51.4 | 129.6 | 174.9 | -91.4 | -178.9 | 175.7 | 176.6 | 0 | 110.2 | S573 | K571-S573 VanDerWaalsContact C-N 3.33Å; K571-S573 PolarHBondContact O-N 2.79Å | ||
| 572 | Q | 26.1 | Very low | 27 | Very low | 198 Ų | 198 | 157.5 Ų | 157.5 | 93% | 0.925 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -80.5 | 62.6 | -164.6 | -146.9 | 175.2 | 9.4 | 0 | 0 | 112 | W570 | W570-Q572 PolarHBondContact O-N 3.23Š|
| 573 | S | 26 | Very low | 27.1 | Very low | 103 Ų | 103 | 158.8 Ų | 158.8 | 72% | 0.72 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -136.2 | 7.5 | -179.9 | 68.9 | 0 | 0 | 0 | 0 | 118.4 | K571 | K571-S573 VanDerWaalsContact C-N 3.33Å; K571-S573 PolarHBondContact O-N 2.79Å |
| 574 | V | 26.7 | Very low | 27.4 | Very low | 133 Ų | 133 | 155.2 Ų | 155.2 | 81% | 0.806 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -141.6 | 27.7 | 169.2 | -159.9 | 0 | 0 | 0 | 0 | 113.2 | ||
| 575 | C | 26 | Very low | 27.5 | Very low | 118 Ų | 118 | 151.1 Ų | 151.1 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -107.6 | 23.4 | 178 | -69.5 | 0 | 0 | 0 | 0 | 114.3 | ||
| 576 | H | 26.1 | Very low | 27.8 | Very low | 177 Ų | 177 | 146.9 Ų | 146.9 | 82% | 0.819 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -129.1 | 23.6 | 177.9 | -103.1 | -85.3 | 0 | 0 | 0 | 115.5 | ||
| 577 | A | 25.9 | Very low | 28.2 | Very low | 87 Ų | 87 | 145.7 Ų | 145.7 | 72% | 0.719 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -142.5 | 76.5 | 172 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 578 | L | 25.5 | Very low | 28.8 | Very low | 174 Ų | 174 | 139.1 Ų | 139.1 | 91% | 0.911 | 73% | 0.734 | S | S | * | * | trans | 161.9 | 61.5 | 145.3 | -85 | 163.2 | 0 | 0 | 0 | 109.1 | G580 | L578-G580 VanDerWaalsContact C-N 3.33Å; L578-G580 PolarHBondContact O-N 3.45Å; L578-G580 VanDerWaalsContact O-N 3.11Å | ||
| 579 | I | 26.9 | Very low | 29.4 | Very low | 158 Ų | 158 | 135.6 Ų | 135.6 | 81% | 0.81 | 72% | 0.722 | S | S | * | * | trans | -72.9 | 96.3 | 159.3 | -66.7 | 172.2 | 0 | 0 | 0 | 105.7 | ||||
| 580 | G | 26.8 | Very low | 30.2 | Very low | 63 Ų | 63 | 128 Ų | 128 | 65% | 0.649 | 69% | 0.69 | S | S | * | * | trans | -151.9 | 69.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L578 | L578-G580 VanDerWaalsContact C-N 3.33Å; L578-G580 PolarHBondContact O-N 3.45Å; L578-G580 VanDerWaalsContact O-N 3.11Å | ||
| 581 | K | 27.6 | Very low | 31.1 | Very low | 192 Ų | 192 | 123.1 Ų | 123.1 | 84% | 0.835 | 67% | 0.672 | S | S | * | * | trans | 33.7 | 120.3 | 151.6 | -63.6 | 178.8 | 178.3 | 176.5 | 0 | 120.4 | ||||
| 582 | R | 29.4 | Very low | 31.9 | Very low | 238 Ų | 238 | 121.4 Ų | 121.4 | 90% | 0.898 | 66% | 0.66 | S | S | * | * | S | Bend | trans | 82.8 | 2 | 136 | -78.4 | -175 | 175.5 | 176.7 | -1.2 | 123.7 | ||
| 583 | Q | 34.3 | Very low | 32.8 | Very low | 119 Ų | 119 | 119.9 Ų | 119.9 | 56% | 0.556 | 65% | 0.645 | S | S | * | * | trans | -97.3 | -3.9 | -176.5 | -76.5 | -179.9 | -16.2 | 0 | 0 | 117.8 | D200 | D200-Q583 PolarHBondContact OD1-NE2 3.37Å; D200-Q583 PolarHBondContact OD2-NE2 2.86Å | ||
| 584 | C | 34.4 | Very low | 33.7 | Very low | 114 Ų | 114 | 116.7 Ų | 116.7 | 77% | 0.77 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -85.8 | -16.2 | -172 | -108.8 | 0 | 0 | 0 | 0 | 116.3 | T588 | C584-T588 PolarHBondContact O-OG1 3.29Å |
| 585 | A | 30.7 | Very low | 34.7 | Very low | 62 Ų | 62 | 115 Ų | 115 | 51% | 0.512 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -88.3 | -31.6 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | T588 I589 | A585-T588 PolarHBondContact O-OG1 2.99Å; A585-I589 WeakPolarHBondContact O-CB 3.5Å; A585-I589 WeakPolarHBondContact O-CD1 3.34Å; A585-I589 WeakPolarHBondContact O-CG1 3.25Å; A585-I589 PolarHBondContact O-N 3.12Å; A585-I589 VanDerWaalsContact O-N 3.16Å |
| 586 | S | 33.9 | Very low | 35.9 | Very low | 51 Ų | 51 | 111.7 Ų | 111.7 | 36% | 0.357 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -75.8 | -36.8 | 179.8 | 61.7 | 0 | 0 | 0 | 0 | 112.2 | I589 S590 | S586-I589 PolarHBondContact O-N 2.84Å; S586-S590 VanDerWaalsContact O-CB 3.27Å; S586-S590 WeakPolarHBondContact O-CB 3.38Å; S586-S590 PolarHBondContact O-N 3Å |
| 587 | V | 35 | Very low | 37.2 | Very low | 85 Ų | 85 | 106.7 Ų | 106.7 | 52% | 0.515 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -68 | -41.7 | 177.9 | -179 | 0 | 0 | 0 | 0 | 110.7 | W591 | V587-W591 WeakPolarHBondContact O-CB 3.49Å; V587-W591 PolarHBondContact O-N 2.83Å |
| 588 | T | 37.1 | Very low | 38 | Very low | 88 Ų | 88 | 105 Ų | 105 | 54% | 0.54 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -66.8 | -41.3 | 174.8 | 29 | 0 | 0 | 0 | 0 | 112.2 | C584 A585 W592 | C584-T588 PolarHBondContact O-OG1 3.29Å; A585-T588 PolarHBondContact O-OG1 2.99Å; T588-W592 WeakPolarHBondContact O-CB 3.33Å; T588-W592 PolarHBondContact O-N 3.42Å |
| 589 | I | 41 | Very low | 38.9 | Very low | 102 Ų | 102 | 101.9 Ų | 101.9 | 52% | 0.523 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -69.6 | -40.5 | 179.1 | -67.2 | 167.6 | 0 | 0 | 0 | 112 | A585 S586 W592 R593 | A585-I589 WeakPolarHBondContact O-CB 3.5Å; A585-I589 WeakPolarHBondContact O-CD1 3.34Å; A585-I589 WeakPolarHBondContact O-CG1 3.25Å; A585-I589 PolarHBondContact O-N 3.12Å; A585-I589 VanDerWaalsContact O-N 3.16Å; S586-I589 PolarHBondContact O-N 2.84Å; I589-W592 PolarHBondContact O-N 3.3Å; I589-R593 WeakPolarHBondContact O-CB 3.48Å; I589-R593 WeakPolarHBondContact O-CG 3.46Å; I589-R593 PolarHBondContact O-N 3.26Å |
| 590 | S | 39.9 | Very low | 40 | Very low | 32 Ų | 32 | 97.8 Ų | 97.8 | 22% | 0.224 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -66.2 | -42.6 | 175.7 | 179.8 | 0 | 0 | 0 | 0 | 111.6 | S586 W592 R593 S594 | S586-S590 VanDerWaalsContact O-CB 3.27Å; S586-S590 WeakPolarHBondContact O-CB 3.38Å; S586-S590 PolarHBondContact O-N 3Å; S590-W592 PolarHBondContact O-N 3.17Å; S590-R593 PolarHBondContact O-N 3.48Å; S590-S594 WeakPolarHBondContact O-CB 3.47Å; S590-S594 PolarHBondContact O-N 2.72Å; S590-S594 PolarHBondContact O-OG 3.25Å |
| 591 | W | 46.2 | Very low | 41 | Very low | 93 Ų | 93 | 100.1 Ų | 100.1 | 35% | 0.352 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.9 | -41 | 175 | -167.8 | 98.5 | 0 | 0 | 0 | 111.7 | R352 Y389 V587 S594 F595 | R352-W591 VanDerWaalsContact NH2-CD1 3.33Å; Y389-W591 HydrophobicContact CE2-CH2 4.41Å; Y389-W591 AromaticContact CE2-CZ2 3.7Å; Y389-W591 HydrophobicContact CE2-CZ2 3.7Å; V587-W591 WeakPolarHBondContact O-CB 3.49Å; V587-W591 PolarHBondContact O-N 2.83Å; W591-S594 PolarHBondContact O-N 2.9Å; W591-F595 VanDerWaalsContact O-CB 3.31Å; W591-F595 WeakPolarHBondContact O-CB 3.46Å; W591-F595 PolarHBondContact O-N 3.37Å |
| 592 | W | 44.3 | Very low | 41.9 | Very low | 163 Ų | 163 | 97 Ų | 97 | 62% | 0.617 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -70.1 | -40.3 | 178.3 | -156.3 | 88.5 | 0 | 0 | 0 | 111.9 | T588 I589 S590 F595 V596 | T588-W592 WeakPolarHBondContact O-CB 3.33Å; T588-W592 PolarHBondContact O-N 3.42Å; I589-W592 PolarHBondContact O-N 3.3Å; S590-W592 PolarHBondContact O-N 3.17Å; W592-F595 PolarHBondContact O-N 2.82Å; W592-V596 HydrophobicContact CD2-CG2 3.95Å; W592-V596 HydrophobicContact CE3-CG2 3.62Å; W592-V596 HydrophobicContact CH2-CG2 3.8Å; W592-V596 HydrophobicContact CZ2-CG2 4.11Å; W592-V596 HydrophobicContact CZ3-CG2 3.55Å; W592-V596 WeakPolarHBondContact O-CB 3.33Å; W592-V596 WeakPolarHBondContact O-CG2 3.47Å; W592-V596 PolarHBondContact O-N 3.15Å |
| 593 | R | 45.8 | Very low | 42.6 | Very low | 165 Ų | 165 | 88.6 Ų | 88.6 | 62% | 0.623 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -60.1 | -46.7 | 170.6 | -85 | -177.9 | 161.4 | 173.3 | -3.9 | 111.7 | I589 S590 F595 V596 L597 | I589-R593 WeakPolarHBondContact O-CB 3.48Å; I589-R593 WeakPolarHBondContact O-CG 3.46Å; I589-R593 PolarHBondContact O-N 3.26Å; S590-R593 PolarHBondContact O-N 3.48Å; R593-F595 VanDerWaalsContact C-N 3.31Å; R593-F595 PolarHBondContact O-N 3.33Å; R593-V596 PolarHBondContact O-N 3.39Å; R593-L597 VanDerWaalsContact O-CB 3.28Å; R593-L597 WeakPolarHBondContact O-CB 3.42Å; R593-L597 VanDerWaalsContact O-CG 3.22Å; R593-L597 WeakPolarHBondContact O-CG 3.46Å; R593-L597 PolarHBondContact O-N 3.44Å |
| 594 | S | 45.3 | Very low | 43.2 | Very low | 36 Ų | 36 | 88.3 Ų | 88.3 | 25% | 0.252 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.5 | -40.3 | 176.5 | -64.8 | 0 | 0 | 0 | 0 | 111.8 | S590 W591 A598 | S590-S594 WeakPolarHBondContact O-CB 3.47Å; S590-S594 PolarHBondContact O-N 2.72Å; S590-S594 PolarHBondContact O-OG 3.25Å; W591-S594 PolarHBondContact O-N 2.9Å; S594-A598 VanDerWaalsContact O-CB 3.25Å; S594-A598 WeakPolarHBondContact O-CB 3.28Å; S594-A598 PolarHBondContact O-N 3.45Å |
| 595 | F | 47.7 | Very low | 43.6 | Very low | 99 Ų | 99 | 85.6 Ų | 85.6 | 43% | 0.434 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -66.1 | -46.4 | 176.8 | 179.5 | -99.8 | 0 | 0 | 0 | 112 | W591 W592 R593 A598 M599 | W591-F595 VanDerWaalsContact O-CB 3.31Å; W591-F595 WeakPolarHBondContact O-CB 3.46Å; W591-F595 PolarHBondContact O-N 3.37Å; W592-F595 PolarHBondContact O-N 2.82Å; R593-F595 VanDerWaalsContact C-N 3.31Å; R593-F595 PolarHBondContact O-N 3.33Å; F595-A598 PolarHBondContact O-N 2.91Å; F595-M599 HydrophobicContact CE1-CE 4.49Å; F595-M599 HydrophobicContact CE1-CG 4.13Å; F595-M599 HydrophobicContact CZ-CG 4.12Å; F595-M599 HydrophobicContact CZ-SD 4.38Å; F595-M599 PolarHBondContact O-N 2.93Å |
| 596 | V | 49.9 | Very low | 44 | Very low | 47 Ų | 47 | 86.5 Ų | 86.5 | 29% | 0.285 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -65.5 | -39.2 | 176.9 | 170.7 | 0 | 0 | 0 | 0 | 111.3 | W592 R593 M599 L600 | W592-V596 HydrophobicContact CD2-CG2 3.95Å; W592-V596 HydrophobicContact CE3-CG2 3.62Å; W592-V596 HydrophobicContact CH2-CG2 3.8Å; W592-V596 HydrophobicContact CZ2-CG2 4.11Å; W592-V596 HydrophobicContact CZ3-CG2 3.55Å; W592-V596 WeakPolarHBondContact O-CB 3.33Å; W592-V596 WeakPolarHBondContact O-CG2 3.47Å; W592-V596 PolarHBondContact O-N 3.15Å; R593-V596 PolarHBondContact O-N 3.39Å; V596-M599 PolarHBondContact O-N 2.91Å; V596-L600 HydrophobicContact CG1-CD1 3.88Å; V596-L600 HydrophobicContact CG1-CG 4.44Å; V596-L600 WeakPolarHBondContact O-CB 3.49Å; V596-L600 VanDerWaalsContact O-CG 3.29Å; V596-L600 WeakPolarHBondContact O-CG 3.34Å; V596-L600 PolarHBondContact O-N 2.92Å |
| 597 | L | 52.7 | Low | 44.3 | Very low | 73 Ų | 73 | 86.5 Ų | 86.5 | 38% | 0.382 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -68.3 | -36.2 | 175 | -72.9 | 170.9 | 0 | 0 | 0 | 112.2 | R593 L600 H601 | R593-L597 VanDerWaalsContact O-CB 3.28Å; R593-L597 WeakPolarHBondContact O-CB 3.42Å; R593-L597 VanDerWaalsContact O-CG 3.22Å; R593-L597 WeakPolarHBondContact O-CG 3.46Å; R593-L597 PolarHBondContact O-N 3.44Å; L597-L600 HydrophobicContact CD2-CD1 4.42Å; L597-L600 PolarHBondContact O-N 2.93Å; L597-H601 VanDerWaalsContact O-CB 3.3Å; L597-H601 WeakPolarHBondContact O-CB 3.4Å; L597-H601 PolarHBondContact O-N 2.93Å |
| 598 | A | 43.6 | Very low | 44.6 | Very low | 50 Ų | 50 | 89 Ų | 89 | 41% | 0.413 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -66.1 | -43.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | S594 F595 H601 E602 | S594-A598 VanDerWaalsContact O-CB 3.25Å; S594-A598 WeakPolarHBondContact O-CB 3.28Å; S594-A598 PolarHBondContact O-N 3.45Å; F595-A598 PolarHBondContact O-N 2.91Å; A598-H601 PolarHBondContact O-N 3.28Å; A598-E602 PolarHBondContact O-N 3.33Å |
| 599 | M | 45.3 | Very low | 44.6 | Very low | 110 Ų | 110 | 89.9 Ų | 89.9 | 54% | 0.542 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -61.6 | -43.8 | 171.9 | -79.9 | -116.9 | -63.6 | 0 | 0 | 111.8 | F595 V596 H601 E602 V603 | F595-M599 HydrophobicContact CE1-CE 4.49Å; F595-M599 HydrophobicContact CE1-CG 4.13Å; F595-M599 HydrophobicContact CZ-CG 4.12Å; F595-M599 HydrophobicContact CZ-SD 4.38Å; F595-M599 PolarHBondContact O-N 2.93Å; V596-M599 PolarHBondContact O-N 2.91Å; M599-H601 VanDerWaalsContact C-N 3.3Å; M599-H601 PolarHBondContact O-N 2.66Å; M599-E602 PolarHBondContact O-N 3.25Å; M599-V603 WeakPolarHBondContact O-CB 3.49Å; M599-V603 WeakPolarHBondContact O-CG2 3.4Å; M599-V603 PolarHBondContact O-N 3.04Å |
| 600 | L | 49.3 | Very low | 44.3 | Very low | 72 Ų | 72 | 89 Ų | 89 | 38% | 0.377 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -63.5 | -37.2 | 175.7 | -79.3 | 164.6 | 0 | 0 | 0 | 111.8 | V596 L597 V603 L604 | V596-L600 HydrophobicContact CG1-CD1 3.88Å; V596-L600 HydrophobicContact CG1-CG 4.44Å; V596-L600 WeakPolarHBondContact O-CB 3.49Å; V596-L600 VanDerWaalsContact O-CG 3.29Å; V596-L600 WeakPolarHBondContact O-CG 3.34Å; V596-L600 PolarHBondContact O-N 2.92Å; L597-L600 HydrophobicContact CD2-CD1 4.42Å; L597-L600 PolarHBondContact O-N 2.93Å; L600-V603 PolarHBondContact O-N 3.48Å; L600-L604 WeakPolarHBondContact O-CB 3.2Å; L600-L604 VanDerWaalsContact O-CG 3.25Å; L600-L604 WeakPolarHBondContact O-CG 3.48Å; L600-L604 PolarHBondContact O-N 3.19Å |
| 601 | H | 46.9 | Very low | 44.2 | Very low | 111 Ų | 111 | 93.3 Ų | 93.3 | 51% | 0.514 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -67.2 | -40.9 | 175.4 | -172.2 | -84.6 | 0 | 0 | 0 | 111.7 | L597 A598 M599 L604 S605 | L597-H601 VanDerWaalsContact O-CB 3.3Å; L597-H601 WeakPolarHBondContact O-CB 3.4Å; L597-H601 PolarHBondContact O-N 2.93Å; A598-H601 PolarHBondContact O-N 3.28Å; M599-H601 VanDerWaalsContact C-N 3.3Å; M599-H601 PolarHBondContact O-N 2.66Å; H601-L604 PolarHBondContact O-N 3.32Å; H601-S605 VanDerWaalsContact O-CB 3.27Å; H601-S605 WeakPolarHBondContact O-CB 3.47Å; H601-S605 PolarHBondContact O-N 2.96Å |
| 602 | E | 47.1 | Very low | 43.7 | Very low | 127 Ų | 127 | 92.7 Ų | 92.7 | 59% | 0.593 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -62.6 | -43.2 | 170.7 | -87 | -139.1 | 160.4 | 0 | 0 | 111.9 | A598 M599 L604 S605 L606 | A598-E602 PolarHBondContact O-N 3.33Å; M599-E602 PolarHBondContact O-N 3.25Å; E602-L604 VanDerWaalsContact C-N 3.32Å; E602-L604 PolarHBondContact O-N 2.87Å; E602-S605 PolarHBondContact O-N 3.12Å; E602-L606 WeakPolarHBondContact O-CB 3.39Å; E602-L606 VanDerWaalsContact O-CG 3.32Å; E602-L606 WeakPolarHBondContact O-CG 3.21Å; E602-L606 PolarHBondContact O-N 3.38Å |
| 603 | V | 44.3 | Very low | 43.4 | Very low | 62 Ų | 62 | 87.9 Ų | 87.9 | 38% | 0.376 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.4 | -42.1 | 177 | 170.6 | 0 | 0 | 0 | 0 | 110.7 | M599 L600 L606 T607 | M599-V603 WeakPolarHBondContact O-CB 3.49Å; M599-V603 WeakPolarHBondContact O-CG2 3.4Å; M599-V603 PolarHBondContact O-N 3.04Å; L600-V603 PolarHBondContact O-N 3.48Å; V603-L606 PolarHBondContact O-N 2.94Å; V603-T607 WeakPolarHBondContact O-CG2 3.38Å; V603-T607 PolarHBondContact O-N 3.44Å; V603-T607 PolarHBondContact O-OG1 3Å |
| 604 | L | 46.4 | Very low | 43.1 | Very low | 113 Ų | 113 | 85.7 Ų | 85.7 | 59% | 0.592 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -71.6 | -33.8 | 177.3 | -73.6 | 168.5 | 0 | 0 | 0 | 113.1 | L600 H601 E602 T607 K608 | L600-L604 WeakPolarHBondContact O-CB 3.2Å; L600-L604 VanDerWaalsContact O-CG 3.25Å; L600-L604 WeakPolarHBondContact O-CG 3.48Å; L600-L604 PolarHBondContact O-N 3.19Å; H601-L604 PolarHBondContact O-N 3.32Å; E602-L604 VanDerWaalsContact C-N 3.32Å; E602-L604 PolarHBondContact O-N 2.87Å; L604-T607 VanDerWaalsContact CA-OG1 3.27Å; L604-T607 WeakPolarHBondContact CA-OG1 3.46Å; L604-T607 PolarHBondContact O-N 3.1Å; L604-T607 PolarHBondContact O-OG1 2.94Å; L604-K608 WeakPolarHBondContact O-CB 3.3Å; L604-K608 PolarHBondContact O-N 3.49Å |
| 605 | S | 43.2 | Very low | 42.6 | Very low | 56 Ų | 56 | 88.9 Ų | 88.9 | 39% | 0.392 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.6 | -43.7 | 173 | -172.8 | 0 | 0 | 0 | 0 | 110.5 | H601 E602 K608 I609 | H601-S605 VanDerWaalsContact O-CB 3.27Å; H601-S605 WeakPolarHBondContact O-CB 3.47Å; H601-S605 PolarHBondContact O-N 2.96Å; E602-S605 PolarHBondContact O-N 3.12Å; S605-K608 PolarHBondContact O-N 3.44Å; S605-I609 WeakPolarHBondContact O-CG1 3.24Å; S605-I609 PolarHBondContact O-N 3.26Å |
| 606 | L | 39.7 | Very low | 42.1 | Very low | 81 Ų | 81 | 90.1 Ų | 90.1 | 42% | 0.424 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.9 | -38.2 | 174.7 | -75.3 | 166.3 | 0 | 0 | 0 | 112.2 | E602 V603 K608 I609 V610 | E602-L606 WeakPolarHBondContact O-CB 3.39Å; E602-L606 VanDerWaalsContact O-CG 3.32Å; E602-L606 WeakPolarHBondContact O-CG 3.21Å; E602-L606 PolarHBondContact O-N 3.38Å; V603-L606 PolarHBondContact O-N 2.94Å; L606-K608 VanDerWaalsContact C-N 3.34Å; L606-I609 PolarHBondContact O-N 3.4Å; L606-V610 VanDerWaalsContact O-CG2 3.27Å; L606-V610 WeakPolarHBondContact O-CG2 3.36Å; L606-V610 PolarHBondContact O-N 3.33Å |
| 607 | T | 39.8 | Very low | 41.5 | Very low | 51 Ų | 51 | 95 Ų | 95 | 31% | 0.313 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.9 | -36.5 | 173.9 | 51.3 | 0 | 0 | 0 | 0 | 111.6 | V603 L604 V610 Q611 | V603-T607 WeakPolarHBondContact O-CG2 3.38Å; V603-T607 PolarHBondContact O-N 3.44Å; V603-T607 PolarHBondContact O-OG1 3Å; L604-T607 VanDerWaalsContact CA-OG1 3.27Å; L604-T607 WeakPolarHBondContact CA-OG1 3.46Å; L604-T607 PolarHBondContact O-N 3.1Å; L604-T607 PolarHBondContact O-OG1 2.94Å; T607-V610 PolarHBondContact O-N 3.27Å; T607-Q611 VanDerWaalsContact O-CB 3.24Å; T607-Q611 WeakPolarHBondContact O-CB 3.43Å; T607-Q611 PolarHBondContact O-N 2.93Å |
| 608 | K | 40.2 | Very low | 40.7 | Very low | 139 Ų | 139 | 95 Ų | 95 | 60% | 0.604 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.4 | -43.5 | 174.2 | -157.1 | 178.1 | -178.9 | -172.2 | 0 | 112 | L604 S605 L606 V610 Q611 D612 | L604-K608 WeakPolarHBondContact O-CB 3.3Å; L604-K608 PolarHBondContact O-N 3.49Å; S605-K608 PolarHBondContact O-N 3.44Å; L606-K608 VanDerWaalsContact C-N 3.34Å; K608-V610 VanDerWaalsContact C-N 3.33Å; K608-V610 PolarHBondContact O-N 3.14Å; K608-Q611 PolarHBondContact O-N 2.97Å; K608-D612 WeakPolarHBondContact O-CB 3.49Å; K608-D612 PolarHBondContact O-N 2.78Å |
| 609 | I | 38.9 | Very low | 40.1 | Very low | 106 Ų | 106 | 99.4 Ų | 99.4 | 54% | 0.544 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60.8 | -41 | 174.2 | -66.7 | 164.9 | 0 | 0 | 0 | 111.4 | S605 L606 A613 | S605-I609 WeakPolarHBondContact O-CG1 3.24Å; S605-I609 PolarHBondContact O-N 3.26Å; L606-I609 PolarHBondContact O-N 3.4Å; I609-A613 VanDerWaalsContact O-CB 3.24Å; I609-A613 WeakPolarHBondContact O-CB 3.48Å; I609-A613 PolarHBondContact O-N 3.31Å |
| 610 | V | 34.6 | Very low | 39.3 | Very low | 82 Ų | 82 | 100 Ų | 100 | 50% | 0.497 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -69.7 | -36.4 | 176.4 | 172.5 | 0 | 0 | 0 | 0 | 111.4 | L606 T607 K608 A613 I614 | L606-V610 VanDerWaalsContact O-CG2 3.27Å; L606-V610 WeakPolarHBondContact O-CG2 3.36Å; L606-V610 PolarHBondContact O-N 3.33Å; T607-V610 PolarHBondContact O-N 3.27Å; K608-V610 VanDerWaalsContact C-N 3.33Å; K608-V610 PolarHBondContact O-N 3.14Å; V610-A613 PolarHBondContact O-N 3.42Å; V610-I614 HydrophobicContact CG1-CD1 3.74Å; V610-I614 HydrophobicContact CG1-CG1 4.44Å; V610-I614 WeakPolarHBondContact O-CB 3.17Å; V610-I614 WeakPolarHBondContact O-CD1 3.33Å; V610-I614 WeakPolarHBondContact O-CG1 3.46Å; V610-I614 PolarHBondContact O-N 3.36Å |
| 611 | Q | 36.6 | Very low | 38.2 | Very low | 124 Ų | 124 | 102.2 Ų | 102.2 | 58% | 0.579 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -69.7 | -40.5 | 178.9 | -158.4 | 166 | 13 | 0 | 0 | 111.6 | T607 K608 I614 L615 | T607-Q611 VanDerWaalsContact O-CB 3.24Å; T607-Q611 WeakPolarHBondContact O-CB 3.43Å; T607-Q611 PolarHBondContact O-N 2.93Å; K608-Q611 PolarHBondContact O-N 2.97Å; Q611-I614 PolarHBondContact O-N 3.32Å; Q611-L615 WeakPolarHBondContact O-CB 3.44Å; Q611-L615 WeakPolarHBondContact O-CD1 3.24Å; Q611-L615 WeakPolarHBondContact O-CG 3.36Å; Q611-L615 PolarHBondContact O-N 3.05Å |
| 612 | D | 36.5 | Very low | 37.2 | Very low | 80 Ų | 80 | 103 Ų | 103 | 43% | 0.428 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -68.3 | -39.2 | 173.9 | -67.4 | -22.7 | 0 | 0 | 0 | 111 | K608 I614 L615 D616 | K608-D612 WeakPolarHBondContact O-CB 3.49Å; K608-D612 PolarHBondContact O-N 2.78Å; D612-I614 VanDerWaalsContact C-N 3.35Å; D612-I614 PolarHBondContact O-N 2.92Å; D612-L615 PolarHBondContact O-N 2.91Å; D612-D616 PolarHBondContact O-N 2.98Å |
| 613 | A | 38.3 | Very low | 36.1 | Very low | 62 Ų | 62 | 102.3 Ų | 102.3 | 51% | 0.512 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -66.4 | -30.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | I609 V610 | I609-A613 VanDerWaalsContact O-CB 3.24Å; I609-A613 WeakPolarHBondContact O-CB 3.48Å; I609-A613 PolarHBondContact O-N 3.31Å; V610-A613 PolarHBondContact O-N 3.42Å |
| 614 | I | 37.9 | Very low | 35.2 | Very low | 118 Ų | 118 | 105.7 Ų | 105.7 | 61% | 0.605 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -77.3 | -31.4 | 174.7 | -69.4 | 166.8 | 0 | 0 | 0 | 111.2 | V610 Q611 D612 | V610-I614 HydrophobicContact CG1-CD1 3.74Å; V610-I614 HydrophobicContact CG1-CG1 4.44Å; V610-I614 WeakPolarHBondContact O-CB 3.17Å; V610-I614 WeakPolarHBondContact O-CD1 3.33Å; V610-I614 WeakPolarHBondContact O-CG1 3.46Å; V610-I614 PolarHBondContact O-N 3.36Å; Q611-I614 PolarHBondContact O-N 3.32Å; D612-I614 VanDerWaalsContact C-N 3.35Å; D612-I614 PolarHBondContact O-N 2.92Å |
| 615 | L | 36.5 | Very low | 34 | Very low | 104 Ų | 104 | 106.7 Ų | 106.7 | 55% | 0.545 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -75.1 | -32.7 | 177.4 | -80.1 | 161.6 | 0 | 0 | 0 | 112.7 | Q611 D612 A618 | Q611-L615 WeakPolarHBondContact O-CB 3.44Å; Q611-L615 WeakPolarHBondContact O-CD1 3.24Å; Q611-L615 WeakPolarHBondContact O-CG 3.36Å; Q611-L615 PolarHBondContact O-N 3.05Å; D612-L615 PolarHBondContact O-N 2.91Å; L615-A618 PolarHBondContact O-N 2.96Å |
| 616 | D | 36.6 | Very low | 33.3 | Very low | 125 Ų | 125 | 110.1 Ų | 110.1 | 67% | 0.668 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -70.8 | -30.3 | 177.3 | -89.4 | -15.2 | 0 | 0 | 0 | 113.5 | D612 A618 | D612-D616 PolarHBondContact O-N 2.98Å; D616-A618 VanDerWaalsContact C-N 3.27Å; D616-A618 PolarHBondContact O-N 3.37Å |
| 617 | D | 36.4 | Very low | 32.7 | Very low | 150 Ų | 150 | 115 Ų | 115 | 80% | 0.802 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | -10 | 176.8 | -129.3 | 13.2 | 0 | 0 | 0 | 112.8 | ||
| 618 | A | 36.3 | Very low | 31.9 | Very low | 72 Ų | 72 | 118.2 Ų | 118.2 | 60% | 0.595 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.2 | -9.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | L615 D616 V620 | L615-A618 PolarHBondContact O-N 2.96Å; D616-A618 VanDerWaalsContact C-N 3.27Å; D616-A618 PolarHBondContact O-N 3.37Å; A618-V620 PolarHBondContact O-N 3.32Å |
| 619 | N | 31.4 | Very low | 31.4 | Very low | 143 Ų | 143 | 116 Ų | 116 | 77% | 0.765 | 69% | 0.687 | S | S | * | * | trans | -91.1 | 61.3 | -179.9 | -86.1 | -31 | 0 | 0 | 0 | 113.1 | ||||
| 620 | V | 28.8 | Very low | 30.9 | Very low | 122 Ų | 122 | 121.8 Ų | 121.8 | 74% | 0.739 | 70% | 0.702 | S | S | * | * | trans | -89.5 | 108.5 | 159.4 | 177.8 | 0 | 0 | 0 | 0 | 108.7 | A618 V622 | A618-V620 PolarHBondContact O-N 3.32Å; V620-V622 PolarHBondContact O-N 3Å | ||
| 621 | S | 26.2 | Very low | 30.7 | Very low | 118 Ų | 118 | 125.3 Ų | 125.3 | 83% | 0.825 | 72% | 0.717 | S | S | * | * | trans | -59.9 | 118.5 | -179.9 | 60.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 622 | V | 25.6 | Very low | 30.4 | Very low | 129 Ų | 129 | 123.6 Ų | 123.6 | 78% | 0.782 | 72% | 0.724 | S | S | * | * | trans | -123.2 | 113.9 | 159.2 | -177.9 | 0 | 0 | 0 | 0 | 108.6 | V620 | V620-V622 PolarHBondContact O-N 3Š| ||
| 623 | S | 22.9 | Very low | 30.2 | Very low | 112 Ų | 112 | 125.3 Ų | 125.3 | 78% | 0.783 | 74% | 0.74 | S | S | * | * | trans | -86.2 | 131.9 | 179.1 | 57.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 624 | V | 26.1 | Very low | 29.8 | Very low | 133 Ų | 133 | 133.8 Ų | 133.8 | 81% | 0.806 | 76% | 0.758 | S | S | * | * | trans | -141.2 | 115.4 | 160.8 | -175.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 625 | T | 22 | Very low | 29.5 | Very low | 134 Ų | 134 | 138.1 Ų | 138.1 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | trans | -93 | 149.3 | 172.7 | 20.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 626 | P | 28.8 | Very low | 29.2 | Very low | 127 Ų | 127 | 142.7 Ų | 142.7 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | trans | -120.6 | 154.2 | 147 | 21.3 | -2.7 | 0 | 0 | 0 | 112.9 | ||||
| 627 | Q | 26.2 | Very low | 29 | Very low | 184 Ų | 184 | 142.2 Ų | 142.2 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | trans | -85.4 | 159.3 | -161.7 | -66.4 | 172 | -33 | 0 | 0 | 116 | ||||
| 628 | C | 23.2 | Very low | 28.9 | Very low | 119 Ų | 119 | 143.6 Ų | 143.6 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | 71.8 | 135.2 | 139.2 | -91.4 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 629 | S | 29.9 | Very low | 28.6 | Very low | 91 Ų | 91 | 147 Ų | 147 | 64% | 0.636 | 80% | 0.801 | S | S | * | * | cis | -174.5 | 158.4 | 27.9 | 45.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 630 | R | 28.5 | Very low | 28.6 | Very low | 229 Ų | 229 | 146.3 Ų | 146.3 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | trans | 71.9 | 133.4 | 150.3 | -74.3 | 167.2 | -174.7 | -153.7 | 3.3 | 118 | ||||
| 631 | L | 29.5 | Very low | 28.7 | Very low | 156 Ų | 156 | 147.2 Ų | 147.2 | 82% | 0.817 | 80% | 0.803 | S | S | * | * | cis | -160.3 | 124.3 | 12.7 | -91.2 | 144.1 | 0 | 0 | 0 | 106.3 | ||||
| 632 | A | 30 | Very low | 28.9 | Very low | 88 Ų | 88 | 149 Ų | 149 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | 105.5 | 149.5 | 93.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 633 | P | 32.3 | Very low | 29.4 | Very low | 115 Ų | 115 | 148 Ų | 148 | 75% | 0.747 | 80% | 0.799 | S | S | * | * | trans | -136.6 | -176.8 | -132.5 | 40.7 | -22.6 | 0 | 0 | 0 | 116.5 | ||||
| 634 | R | 29.8 | Very low | 29.8 | Very low | 240 Ų | 240 | 148.8 Ų | 148.8 | 91% | 0.906 | 80% | 0.804 | S | S | * | * | trans | 138.7 | 134.1 | 146.9 | -80 | 173 | 164.7 | 179 | -3.2 | 110.7 | ||||
| 635 | K | 33.3 | Very low | 30.1 | Very low | 209 Ų | 209 | 145.7 Ų | 145.7 | 91% | 0.909 | 80% | 0.799 | S | S | * | * | cis | -150.6 | 148.8 | 43 | -92.1 | 175.3 | 174 | 171.8 | 0 | 112 | ||||
| 636 | K | 28.6 | Very low | 30.6 | Very low | 200 Ų | 200 | 145.5 Ų | 145.5 | 87% | 0.87 | 80% | 0.798 | S | S | * | * | trans | -101.6 | 147.7 | 172.1 | -70 | 176.9 | 172.8 | 177.9 | 0 | 111.1 | ||||
| 637 | S | 34.2 | Very low | 30.8 | Very low | 115 Ų | 115 | 145 Ų | 145 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | -173.9 | 101.7 | 134.8 | 53.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 638 | K | 33.6 | Very low | 31.2 | Very low | 179 Ų | 179 | 145.2 Ų | 145.2 | 78% | 0.778 | 79% | 0.791 | S | S | * | * | 72.6 | 115.7 | 76.7 | -85.7 | -160.7 | 162.2 | -173.1 | 0 | 116 | |||||
| 639 | L | 29 | Very low | 31.6 | Very low | 144 Ų | 144 | 145.3 Ų | 145.3 | 75% | 0.754 | 79% | 0.793 | S | S | * | * | trans | 65.8 | 144.6 | 136.3 | -84.2 | 100.9 | 0 | 0 | 0 | 117.5 | ||||
| 640 | V | 32.6 | Very low | 31.7 | Very low | 129 Ų | 129 | 144.8 Ų | 144.8 | 78% | 0.782 | 80% | 0.802 | S | S | * | * | cis | -159.3 | 150.5 | 41.3 | 176.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 641 | N | 30.1 | Very low | 31.7 | Very low | 141 Ų | 141 | 143.4 Ų | 143.4 | 75% | 0.754 | 80% | 0.802 | S | S | * | * | trans | -70.9 | 150.7 | 171.9 | -61.3 | -28.9 | 0 | 0 | 0 | 115.1 | ||||
| 642 | N | 31.1 | Very low | 31.7 | Very low | 155 Ų | 155 | 142.2 Ų | 142.2 | 83% | 0.829 | 80% | 0.802 | S | S | * | * | 159.2 | 157 | 107.7 | -100.8 | -4.6 | 0 | 0 | 0 | 114.1 | |||||
| 643 | P | 36.5 | Very low | 31.9 | Very low | 108 Ų | 108 | 143.4 Ų | 143.4 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | trans | -110.2 | 174 | -160.9 | 41 | -30.9 | 0 | 0 | 0 | 114.8 | ||||
| 644 | S | 31.5 | Very low | 31.6 | Very low | 128 Ų | 128 | 142.9 Ų | 142.9 | 90% | 0.895 | 81% | 0.81 | S | S | * | * | trans | 135.2 | 142.4 | 146.9 | 64.4 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 645 | G | 32.2 | Very low | 31.7 | Very low | 68 Ų | 68 | 135.2 Ų | 135.2 | 70% | 0.701 | 81% | 0.806 | S | S | * | * | trans | 121.8 | 85.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 646 | V | 32.2 | Very low | 31.4 | Very low | 131 Ų | 131 | 131 Ų | 131 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | 69.5 | 120.6 | 81.2 | -177.6 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 647 | T | 32.5 | Very low | 31.6 | Very low | 116 Ų | 116 | 128.4 Ų | 128.4 | 71% | 0.712 | 80% | 0.798 | S | S | * | * | trans | 86.2 | 116.2 | 152.6 | 50 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 648 | K | 35 | Very low | 31.5 | Very low | 188 Ų | 188 | 129.6 Ų | 129.6 | 82% | 0.817 | 80% | 0.795 | S | S | * | * | 76.7 | 117.5 | 125.4 | -73.6 | -179.2 | 177.5 | -179.6 | 0 | 121.7 | |||||
| 649 | S | 31.2 | Very low | 31.3 | Very low | 122 Ų | 122 | 125.1 Ų | 125.1 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | trans | 61.7 | 124.9 | 134.3 | 79.4 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 650 | G | 31.2 | Very low | 31.5 | Very low | 80 Ų | 80 | 124.5 Ų | 124.5 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | trans | 170.5 | 103.9 | 157.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 651 | K | 29.6 | Very low | 31.3 | Very low | 199 Ų | 199 | 123.6 Ų | 123.6 | 87% | 0.865 | 80% | 0.796 | S | S | * | * | trans | -57.6 | 142.9 | 164.7 | -69 | 170.6 | 171 | 175.8 | 0 | 110 | ||||
| 652 | T | 29.4 | Very low | 31.2 | Very low | 132 Ų | 132 | 125.1 Ų | 125.1 | 81% | 0.81 | 80% | 0.803 | S | S | * | * | 158.4 | 147.5 | 112.5 | 43.4 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 653 | S | 33.2 | Very low | 31 | Very low | 112 Ų | 112 | 126.4 Ų | 126.4 | 78% | 0.783 | 80% | 0.801 | S | S | * | * | trans | 83.7 | 121 | 142.6 | 69.9 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 654 | A | 27.6 | Very low | 30.8 | Very low | 105 Ų | 105 | 128 Ų | 128 | 87% | 0.868 | 81% | 0.809 | S | S | * | * | trans | -40.6 | 149.9 | 161.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 655 | G | 31.8 | Very low | 30.8 | Very low | 79 Ų | 79 | 130 Ų | 130 | 81% | 0.814 | 80% | 0.804 | S | S | * | * | trans | -154.1 | 108.6 | 163.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 656 | T | 26.6 | Very low | 30.6 | Very low | 120 Ų | 120 | 132.4 Ų | 132.4 | 74% | 0.736 | 81% | 0.81 | S | S | * | * | trans | -73.4 | 143.8 | 174.6 | -43.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 657 | V | 33.1 | Very low | 30.5 | Very low | 146 Ų | 146 | 131.1 Ų | 131.1 | 89% | 0.885 | 81% | 0.813 | S | S | * | * | trans | -140.1 | 124.1 | 155.3 | 179.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 658 | D | 31.5 | Very low | 30.6 | Very low | 139 Ų | 139 | 135 Ų | 135 | 74% | 0.743 | 82% | 0.823 | S | S | * | * | trans | -81.9 | 143.6 | -178.3 | -77.9 | -54.4 | 0 | 0 | 0 | 114.5 | ||||
| 659 | A | 30 | Very low | 30.2 | Very low | 86 Ų | 86 | 129.5 Ų | 129.5 | 71% | 0.711 | 82% | 0.82 | S | S | * | * | trans | 38.3 | 156.2 | 133.5 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 660 | P | 33.2 | Very low | 30.5 | Very low | 130 Ų | 130 | 129.3 Ų | 129.3 | 84% | 0.844 | 82% | 0.816 | S | S | * | * | -140.9 | 156.4 | 79.4 | 35.4 | -17.6 | 0 | 0 | 0 | 116.4 | |||||
| 661 | S | 27.3 | Very low | 30.7 | Very low | 111 Ų | 111 | 133.6 Ų | 133.6 | 78% | 0.776 | 81% | 0.814 | S | S | * | * | trans | -84.3 | 154.2 | 177.8 | 39.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 662 | L | 28.7 | Very low | 30.9 | Very low | 173 Ų | 173 | 132.7 Ų | 132.7 | 91% | 0.906 | 82% | 0.815 | S | S | * | * | trans | -128.7 | 111.6 | 165.1 | -105.7 | 155.9 | 0 | 0 | 0 | 109.7 | ||||
| 663 | K | 26.5 | Very low | 31 | Very low | 181 Ų | 181 | 130.1 Ų | 130.1 | 79% | 0.787 | 82% | 0.815 | S | S | * | * | trans | -86.1 | 143.1 | 166.5 | -82.7 | 176.2 | 172 | 177 | 0 | 109.2 | ||||
| 664 | V | 32.1 | Very low | 30.9 | Very low | 142 Ų | 142 | 128.1 Ų | 128.1 | 86% | 0.861 | 81% | 0.812 | S | S | * | * | trans | -134.7 | 133.6 | 151.3 | -178.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 665 | H | 32.6 | Very low | 31.2 | Very low | 169 Ų | 169 | 131.1 Ų | 131.1 | 78% | 0.782 | 81% | 0.814 | S | S | * | * | trans | -78.5 | 148 | -169.7 | -89.5 | -78.1 | 0 | 0 | 0 | 114.6 | ||||
| 666 | S | 26.8 | Very low | 31.3 | Very low | 120 Ų | 120 | 134.7 Ų | 134.7 | 84% | 0.839 | 81% | 0.814 | S | S | * | * | trans | -77.5 | 144.7 | 155.2 | -50.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 667 | A | 31.4 | Very low | 31.6 | Very low | 103 Ų | 103 | 138.2 Ų | 138.2 | 85% | 0.851 | 82% | 0.822 | S | S | * | * | trans | -154.2 | 140.7 | 157.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 668 | E | 33.3 | Very low | 31.5 | Very low | 197 Ų | 197 | 140 Ų | 140 | 92% | 0.921 | 82% | 0.818 | S | S | * | * | trans | -76 | 164.9 | -172.4 | -64.3 | 162.4 | 141.2 | 0 | 0 | 113.9 | ||||
| 669 | G | 27 | Very low | 31.5 | Very low | 73 Ų | 73 | 141.6 Ų | 141.6 | 75% | 0.753 | 83% | 0.825 | S | S | * | * | trans | -74 | -148.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 670 | P | 37.8 | Very low | 31.3 | Very low | 119 Ų | 119 | 148.9 Ų | 148.9 | 77% | 0.773 | 83% | 0.834 | S | S | * | * | cis | -137 | -167.1 | -4 | 33.9 | -10.1 | 0 | 0 | 0 | 114.4 | ||||
| 671 | E | 35.7 | Very low | 31.3 | Very low | 170 Ų | 170 | 147.6 Ų | 147.6 | 79% | 0.794 | 83% | 0.826 | S | S | * | * | trans | 100.3 | 115.7 | 152.3 | -73 | -170.9 | -179 | 0 | 0 | 122.9 | ||||
| 672 | M | 32.8 | Very low | 31.1 | Very low | 179 Ų | 179 | 148.5 Ų | 148.5 | 88% | 0.882 | 83% | 0.827 | S | S | * | * | 77.2 | 123.7 | 126.9 | -65.8 | -85.6 | -99.7 | 0 | 0 | 121.5 | |||||
| 673 | G | 33.1 | Very low | 31.1 | Very low | 79 Ų | 79 | 145.3 Ų | 145.3 | 81% | 0.814 | 83% | 0.825 | S | S | * | * | trans | 142.3 | 98.1 | 152.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 674 | G | 30.1 | Very low | 30.9 | Very low | 70 Ų | 70 | 142.7 Ų | 142.7 | 72% | 0.722 | 82% | 0.824 | S | S | * | * | trans | -84.5 | 171.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 675 | N | 34.8 | Very low | 30.6 | Very low | 167 Ų | 167 | 143.4 Ų | 143.4 | 89% | 0.893 | 82% | 0.822 | S | S | * | * | -178.3 | 144.4 | 122.3 | -93.9 | -14.7 | 0 | 0 | 0 | 111.5 | |||||
| 676 | D | 32 | Very low | 30.4 | Very low | 154 Ų | 154 | 140.7 Ų | 140.7 | 82% | 0.824 | 82% | 0.823 | S | S | * | * | trans | -54 | 147.9 | 177.6 | -63.8 | -61.5 | 0 | 0 | 0 | 115 | ||||
| 677 | E | 34.4 | Very low | 30.4 | Very low | 194 Ų | 194 | 143.8 Ų | 143.8 | 91% | 0.907 | 82% | 0.824 | S | S | * | * | -167.6 | 149.5 | 112.3 | -114 | -178.9 | 159.9 | 0 | 0 | 114.5 | |||||
| 678 | K | 29.7 | Very low | 30.3 | Very low | 184 Ų | 184 | 145.6 Ų | 145.6 | 80% | 0.8 | 83% | 0.825 | S | S | * | * | trans | -64.3 | 156.3 | -173.6 | -65.5 | 153.7 | 172.3 | 165.9 | 0 | 113.6 | ||||
| 679 | I | 31.9 | Very low | 29.8 | Very low | 173 Ų | 173 | 141.3 Ų | 141.3 | 89% | 0.887 | 82% | 0.816 | S | S | * | * | 173.6 | 147.3 | 112.2 | -82.3 | 154.2 | 0 | 0 | 0 | 110.9 | |||||
| 680 | R | 26.4 | Very low | 29.9 | Very low | 239 Ų | 239 | 144.2 Ų | 144.2 | 90% | 0.902 | 82% | 0.819 | S | S | * | * | trans | -76.6 | -176.3 | -163.6 | -114 | -165.9 | 177.9 | 161.3 | -2.5 | 115.6 | ||||
| 681 | P | 32.2 | Very low | 29.4 | Very low | 103 Ų | 103 | 142.3 Ų | 142.3 | 67% | 0.669 | 81% | 0.814 | S | S | * | * | trans | -119.9 | -163.3 | -139.1 | 39.4 | -17.9 | 0 | 0 | 0 | 114.9 | ||||
| 682 | T | 23.6 | Very low | 28.9 | Very low | 130 Ų | 130 | 141.7 Ų | 141.7 | 80% | 0.798 | 82% | 0.816 | S | S | * | * | trans | 84.8 | 122.9 | 162.5 | 11.1 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 683 | A | 28.2 | Very low | 28.9 | Very low | 105 Ų | 105 | 142.9 Ų | 142.9 | 87% | 0.868 | 82% | 0.819 | S | S | * | * | trans | -139.9 | 118.9 | 152 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 684 | T | 22.6 | Very low | 28.5 | Very low | 126 Ų | 126 | 142.8 Ų | 142.8 | 77% | 0.773 | 82% | 0.818 | S | S | * | * | trans | -103.5 | 161.8 | 163.6 | -15.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 685 | L | 25.4 | Very low | 28.2 | Very low | 157 Ų | 157 | 143.4 Ų | 143.4 | 82% | 0.822 | 82% | 0.824 | S | S | * | * | trans | 87.1 | 118.6 | 168.1 | -65.6 | 152.5 | 0 | 0 | 0 | 117.4 | ||||
| 686 | S | 29.7 | Very low | 27.8 | Very low | 113 Ų | 113 | 141.3 Ų | 141.3 | 79% | 0.79 | 82% | 0.823 | S | S | * | * | -173.7 | 131.3 | 97.8 | 35.4 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 687 | E | 25.2 | Very low | 27.5 | Very low | 184 Ų | 184 | 140.4 Ų | 140.4 | 86% | 0.86 | 82% | 0.823 | S | S | * | * | trans | -59.8 | 140.8 | 162.7 | -66.3 | 168.1 | 131.9 | 0 | 0 | 110.5 | ||||
| 688 | T | 30.4 | Very low | 27.2 | Very low | 141 Ų | 141 | 140.9 Ų | 140.9 | 87% | 0.865 | 82% | 0.822 | S | S | * | * | trans | -142.4 | 107.5 | 152.4 | 32.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 689 | S | 22.6 | Very low | 27.1 | Very low | 107 Ų | 107 | 137 Ų | 137 | 75% | 0.748 | 82% | 0.824 | S | S | * | * | trans | -73.5 | 148.3 | 157.4 | 58.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 690 | V | 30.1 | Very low | 26.8 | Very low | 135 Ų | 135 | 133.6 Ų | 133.6 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | 167.2 | 112.5 | 126.3 | 161.4 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 691 | A | 25.7 | Very low | 26.8 | Very low | 79 Ų | 79 | 124.8 Ų | 124.8 | 65% | 0.653 | 81% | 0.806 | S | S | * | * | trans | 15 | 142.3 | 146.7 | 0 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 692 | N | 26.2 | Very low | 26.7 | Very low | 156 Ų | 156 | 126 Ų | 126 | 83% | 0.834 | 81% | 0.814 | S | S | * | * | trans | 92.6 | 119.6 | 137.2 | -75.8 | -13.3 | 0 | 0 | 0 | 121.4 | ||||
| 693 | Q | 31.6 | Very low | 26.9 | Very low | 204 Ų | 204 | 129.4 Ų | 129.4 | 95% | 0.953 | 82% | 0.818 | S | S | * | * | trans | 122.2 | 124.2 | 153.4 | -70.1 | -179.1 | 37.4 | 0 | 0 | 110.6 | ||||
| 694 | G | 26.2 | Very low | 26.9 | Very low | 77 Ų | 77 | 130.9 Ų | 130.9 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | cis | 161.4 | 123.1 | 4.6 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 695 | G | 23.3 | Very low | 27.1 | Very low | 83 Ų | 83 | 127.9 Ų | 127.9 | 86% | 0.856 | 79% | 0.794 | S | S | * | * | trans | 51 | 114.1 | 154.6 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 696 | S | 26.4 | Very low | 27.6 | Very low | 124 Ų | 124 | 125.6 Ų | 125.6 | 87% | 0.867 | 79% | 0.789 | S | S | * | * | -166.8 | 112.4 | 119.4 | -170.1 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 697 | T | 25.2 | Very low | 27.8 | Very low | 135 Ų | 135 | 122 Ų | 122 | 83% | 0.828 | 77% | 0.77 | S | S | * | * | trans | -80.1 | 127 | 176.1 | 44.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 698 | K | 29.4 | Very low | 28.3 | Very low | 203 Ų | 203 | 118.4 Ų | 118.4 | 88% | 0.883 | 76% | 0.756 | S | S | * | * | trans | -144.4 | 113.9 | 153.7 | -93.1 | -170.7 | 178.3 | -179.8 | 0 | 111.8 | ||||
| 699 | A | 27.2 | Very low | 28.8 | Very low | 102 Ų | 102 | 120 Ų | 120 | 84% | 0.843 | 75% | 0.747 | S | S | * | * | trans | 53.6 | 114.7 | 150.6 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 700 | A | 25.4 | Very low | 29.7 | Very low | 102 Ų | 102 | 119.1 Ų | 119.1 | 84% | 0.843 | 74% | 0.736 | S | S | * | * | trans | -67.9 | 132.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 701 | G | 26.1 | Very low | 30 | Very low | 55 Ų | 55 | 116.6 Ų | 116.6 | 57% | 0.567 | 72% | 0.718 | S | S | * | * | trans | -74.8 | 160.1 | 160.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | F703 | G701-F703 PolarHBondContact O-N 2.99Å; G701-F703 VanDerWaalsContact O-N 3.13Å | ||
| 702 | P | 30.1 | Very low | 30.8 | Very low | 128 Ų | 128 | 116.4 Ų | 116.4 | 83% | 0.831 | 71% | 0.706 | S | S | * | * | trans | -66.3 | 115.4 | -172 | 26.9 | -31.9 | 0 | 0 | 0 | 110.7 | I704 | P702-I704 PolarHBondContact O-N 3.44Å; P702-I704 VanDerWaalsContact O-N 3.12Å | ||
| 703 | F | 27.4 | Very low | 31.8 | Very low | 201 Ų | 201 | 113.6 Ų | 113.6 | 88% | 0.882 | 69% | 0.69 | S | S | * | * | trans | -63.1 | 106.3 | 161.1 | -104.1 | -95 | 0 | 0 | 0 | 108 | G701 S705 | G701-F703 PolarHBondContact O-N 2.99Å; G701-F703 VanDerWaalsContact O-N 3.13Å; F703-S705 PolarHBondContact O-N 2.85Å | ||
| 704 | I | 29.5 | Very low | 32.2 | Very low | 137 Ų | 137 | 108.8 Ų | 108.8 | 70% | 0.703 | 67% | 0.669 | S | S | * | * | trans | -68.6 | 103.3 | 162.7 | -59.1 | 176.2 | 0 | 0 | 0 | 105.7 | P702 | P702-I704 PolarHBondContact O-N 3.44Å; P702-I704 VanDerWaalsContact O-N 3.12Å | ||
| 705 | S | 26.7 | Very low | 33.1 | Very low | 62 Ų | 62 | 109.5 Ų | 109.5 | 43% | 0.434 | 65% | 0.654 | S | S | . | * | trans | -66.9 | 149.9 | -177.6 | 85.2 | 0 | 0 | 0 | 0 | 110.9 | F703 G707 N708 | F703-S705 PolarHBondContact O-N 2.85Å; S705-G707 PolarHBondContact O-N 2.75Å; S705-G707 PolarHBondContact OG-N 2.93Å; S705-N708 PolarHBondContact O-N 2.9Å | ||
| 706 | P | 35.4 | Very low | 34.5 | Very low | 110 Ų | 110 | 110.6 Ų | 110.6 | 71% | 0.714 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.2 | -10.5 | 174 | -22.2 | 31.8 | 0 | 0 | 0 | 114.8 | ||
| 707 | G | 33.5 | Very low | 35.5 | Very low | 38 Ų | 38 | 109.6 Ų | 109.6 | 39% | 0.392 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -68.4 | -28.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | S705 W709 V710 L711 | S705-G707 PolarHBondContact O-N 2.75Å; S705-G707 PolarHBondContact OG-N 2.93Å; G707-W709 VanDerWaalsContact C-N 3.33Å; G707-W709 PolarHBondContact O-N 3.04Å; G707-V710 PolarHBondContact O-N 3.12Å; G707-L711 PolarHBondContact O-N 2.96Å; G707-L711 VanDerWaalsContact O-N 3.14Å |
| 708 | N | 36.7 | Very low | 36.4 | Very low | 107 Ų | 107 | 109.5 Ų | 109.5 | 57% | 0.572 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -70.3 | -28.8 | -177.3 | -82.1 | 13.6 | 0 | 0 | 0 | 113 | S705 L712 | S705-N708 PolarHBondContact O-N 2.9Å; N708-L712 WeakPolarHBondContact O-CB 3.36Å; N708-L712 PolarHBondContact O-N 2.76Å |
| 709 | W | 40.4 | Very low | 36.9 | Very low | 175 Ų | 175 | 104.3 Ų | 104.3 | 66% | 0.663 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -72.7 | -34.2 | 173.4 | -77.1 | 100.9 | 0 | 0 | 0 | 112.2 | G707 L713 | G707-W709 VanDerWaalsContact C-N 3.33Å; G707-W709 PolarHBondContact O-N 3.04Å; W709-L713 VanDerWaalsContact O-CB 3.29Å; W709-L713 WeakPolarHBondContact O-CB 3.34Å; W709-L713 WeakPolarHBondContact O-CD1 3.32Å; W709-L713 PolarHBondContact O-N 2.92Å |
| 710 | V | 40.6 | Very low | 37.5 | Very low | 88 Ų | 88 | 101.1 Ų | 101.1 | 53% | 0.533 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -69.1 | -41.9 | 178.5 | 179.9 | 0 | 0 | 0 | 0 | 110.7 | G707 L713 M714 | G707-V710 PolarHBondContact O-N 3.12Å; V710-L713 PolarHBondContact O-N 2.83Å; V710-M714 HydrophobicContact CG1-CG 4.47Å; V710-M714 WeakPolarHBondContact O-CB 3.31Å; V710-M714 WeakPolarHBondContact O-CG 3.25Å; V710-M714 PolarHBondContact O-N 3.2Å |
| 711 | L | 36.6 | Very low | 38 | Very low | 83 Ų | 83 | 100.6 Ų | 100.6 | 44% | 0.435 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -67.1 | -41.9 | 177.7 | -151.7 | 83.8 | 0 | 0 | 0 | 111.6 | G707 M714 I715 | G707-L711 PolarHBondContact O-N 2.96Å; G707-L711 VanDerWaalsContact O-N 3.14Å; L711-M714 PolarHBondContact O-N 3.43Å; L711-I715 HydrophobicContact CG-CD1 4.5Å; L711-I715 VanDerWaalsContact O-CG1 3.28Å; L711-I715 WeakPolarHBondContact O-CG1 3.23Å; L711-I715 PolarHBondContact O-N 2.74Å |
| 712 | L | 42.4 | Very low | 38.7 | Very low | 75 Ų | 75 | 104.3 Ų | 104.3 | 39% | 0.393 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -65.4 | -41.3 | 175.2 | -161.3 | 83.3 | 0 | 0 | 0 | 111.7 | N708 M714 I715 I716 | N708-L712 WeakPolarHBondContact O-CB 3.36Å; N708-L712 PolarHBondContact O-N 2.76Å; L712-M714 VanDerWaalsContact C-N 3.34Å; L712-I715 PolarHBondContact O-N 3.13Å; L712-I716 HydrophobicContact CD2-CD1 4.39Å; L712-I716 HydrophobicContact CG-CD1 4.16Å; L712-I716 WeakPolarHBondContact O-CB 3.47Å; L712-I716 VanDerWaalsContact O-CG1 3.23Å; L712-I716 WeakPolarHBondContact O-CG1 3.37Å; L712-I716 PolarHBondContact O-N 3.11Å |
| 713 | L | 48.1 | Very low | 39.3 | Very low | 96 Ų | 96 | 105 Ų | 105 | 50% | 0.503 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -64.2 | -37.9 | 172.5 | -106.4 | 119.7 | 0 | 0 | 0 | 111.7 | W709 V710 I716 L717 | W709-L713 VanDerWaalsContact O-CB 3.29Å; W709-L713 WeakPolarHBondContact O-CB 3.34Å; W709-L713 WeakPolarHBondContact O-CD1 3.32Å; W709-L713 PolarHBondContact O-N 2.92Å; V710-L713 PolarHBondContact O-N 2.83Å; L713-I716 PolarHBondContact O-N 3.14Å; L713-L717 HydrophobicContact CB-CD1 4.44Å; L713-L717 HydrophobicContact CD2-CD1 3.83Å; L713-L717 WeakPolarHBondContact O-CB 3.31Å; L713-L717 WeakPolarHBondContact O-CD1 3.46Å; L713-L717 WeakPolarHBondContact O-CG 3.19Å; L713-L717 PolarHBondContact O-N 2.96Å |
| 714 | M | 39 | Very low | 39.9 | Very low | 103 Ų | 103 | 101.8 Ų | 101.8 | 51% | 0.507 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -68.6 | -39.2 | 176.6 | -79.3 | -158.2 | 131.7 | 0 | 0 | 112.1 | V710 L711 L712 L717 H718 | V710-M714 HydrophobicContact CG1-CG 4.47Å; V710-M714 WeakPolarHBondContact O-CB 3.31Å; V710-M714 WeakPolarHBondContact O-CG 3.25Å; V710-M714 PolarHBondContact O-N 3.2Å; L711-M714 PolarHBondContact O-N 3.43Å; L712-M714 VanDerWaalsContact C-N 3.34Å; M714-L717 PolarHBondContact O-N 2.87Å; M714-H718 WeakPolarHBondContact O-CB 3.24Å; M714-H718 PolarHBondContact O-N 3.02Å |
| 715 | I | 46.6 | Very low | 40 | Very low | 93 Ų | 93 | 98.7 Ų | 98.7 | 48% | 0.477 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.7 | -43.1 | 174 | -67.4 | 164.9 | 0 | 0 | 0 | 110.2 | L711 L712 M719 | L711-I715 HydrophobicContact CG-CD1 4.5Å; L711-I715 VanDerWaalsContact O-CG1 3.28Å; L711-I715 WeakPolarHBondContact O-CG1 3.23Å; L711-I715 PolarHBondContact O-N 2.74Å; L712-I715 PolarHBondContact O-N 3.13Å; I715-M719 HydrophobicContact CG2-CG 4.44Å; I715-M719 VanDerWaalsContact O-CB 3.28Å; I715-M719 WeakPolarHBondContact O-CB 3.36Å; I715-M719 WeakPolarHBondContact O-CG 3.46Å; I715-M719 PolarHBondContact O-N 3.26Å |
| 716 | I | 51.1 | Low | 40.2 | Very low | 106 Ų | 106 | 105 Ų | 105 | 54% | 0.544 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -67.6 | -41.3 | 176.7 | -66.6 | 167.4 | 0 | 0 | 0 | 111.2 | L712 L713 A720 | L712-I716 HydrophobicContact CD2-CD1 4.39Å; L712-I716 HydrophobicContact CG-CD1 4.16Å; L712-I716 WeakPolarHBondContact O-CB 3.47Å; L712-I716 VanDerWaalsContact O-CG1 3.23Å; L712-I716 WeakPolarHBondContact O-CG1 3.37Å; L712-I716 PolarHBondContact O-N 3.11Å; L713-I716 PolarHBondContact O-N 3.14Å; I716-A720 WeakPolarHBondContact O-CB 3.42Å; I716-A720 PolarHBondContact O-N 2.65Å |
| 717 | L | 48.4 | Very low | 40.1 | Very low | 103 Ų | 103 | 108.9 Ų | 108.9 | 54% | 0.539 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -74.7 | -23.4 | 178.5 | -82.8 | 157.9 | 0 | 0 | 0 | 113.8 | L713 M714 P721 | L713-L717 HydrophobicContact CB-CD1 4.44Å; L713-L717 HydrophobicContact CD2-CD1 3.83Å; L713-L717 WeakPolarHBondContact O-CB 3.31Å; L713-L717 WeakPolarHBondContact O-CD1 3.46Å; L713-L717 WeakPolarHBondContact O-CG 3.19Å; L713-L717 PolarHBondContact O-N 2.96Å; M714-L717 PolarHBondContact O-N 2.87Å; L717-P721 WeakPolarHBondContact O-CD 3.34Å; L717-P721 WeakPolarHBondContact O-CG 3.47Å |
| 718 | H | 42.9 | Very low | 40.4 | Very low | 133 Ų | 133 | 112.4 Ų | 112.4 | 62% | 0.616 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -90.7 | -25.3 | 174.3 | -77.6 | -5.1 | 0 | 0 | 0 | 112.8 | M714 | M714-H718 WeakPolarHBondContact O-CB 3.24Å; M714-H718 PolarHBondContact O-N 3.02Å |
| 719 | M | 41.8 | Very low | 40.6 | Very low | 94 Ų | 94 | 112.7 Ų | 112.7 | 46% | 0.463 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -80.4 | -33.4 | 169.8 | -66.9 | -66.3 | -177.7 | 0 | 0 | 111.7 | I715 L722 F723 | I715-M719 HydrophobicContact CG2-CG 4.44Å; I715-M719 VanDerWaalsContact O-CB 3.28Å; I715-M719 WeakPolarHBondContact O-CB 3.36Å; I715-M719 WeakPolarHBondContact O-CG 3.46Å; I715-M719 PolarHBondContact O-N 3.26Å; M719-L722 PolarHBondContact O-N 3.33Å; M719-L722 HydrophobicContact SD-CD1 4.43Å; M719-F723 HydrophobicContact CB-CD2 4.36Å; M719-F723 HydrophobicContact CB-CE2 4.26Å; M719-F723 WeakPolarHBondContact O-CD2 3.35Å; M719-F723 PolarHBondContact O-N 2.82Å; M719-F723 HydrophobicContact SD-CE2 4.37Å |
| 720 | A | 38.2 | Very low | 40.6 | Very low | 34 Ų | 34 | 109.2 Ų | 109.2 | 28% | 0.281 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -54.4 | -41.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | I716 L722 F723 L724 | I716-A720 WeakPolarHBondContact O-CB 3.42Å; I716-A720 PolarHBondContact O-N 2.65Å; A720-L722 VanDerWaalsContact C-N 3.33Å; A720-L722 PolarHBondContact O-N 3.16Å; A720-F723 PolarHBondContact O-N 3.29Å; A720-L724 HydrophobicContact CB-CD1 4.12Å; A720-L724 VanDerWaalsContact O-CB 3.28Å; A720-L724 WeakPolarHBondContact O-CB 3.4Å; A720-L724 WeakPolarHBondContact O-CD1 3.22Å; A720-L724 VanDerWaalsContact O-CG 3.22Å; A720-L724 WeakPolarHBondContact O-CG 3.41Å; A720-L724 PolarHBondContact O-N 3.37Å |
| 721 | P | 36.9 | Very low | 40.6 | Very low | 91 Ų | 91 | 110.5 Ų | 110.5 | 59% | 0.591 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -68.6 | -26.7 | 176.7 | -20.3 | 32.5 | 0 | 0 | 0 | 114.1 | L717 F723 | L717-P721 WeakPolarHBondContact O-CD 3.34Å; L717-P721 WeakPolarHBondContact O-CG 3.47Å; P721-F723 PolarHBondContact O-N 2.83Å |
| 722 | L | 40.2 | Very low | 40.8 | Very low | 134 Ų | 134 | 112.2 Ų | 112.2 | 70% | 0.702 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -74.2 | -16.9 | 175.9 | -79.1 | 163.2 | 0 | 0 | 0 | 112.6 | M719 A720 | M719-L722 PolarHBondContact O-N 3.33Å; M719-L722 HydrophobicContact SD-CD1 4.43Å; A720-L722 VanDerWaalsContact C-N 3.33Å; A720-L722 PolarHBondContact O-N 3.16Å |
| 723 | F | 42.5 | Very low | 40.7 | Very low | 141 Ų | 141 | 114.7 Ų | 114.7 | 62% | 0.618 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -114.3 | -14.2 | -178.8 | -64.7 | -71.2 | 0 | 0 | 0 | 113.8 | M719 A720 P721 G725 | M719-F723 HydrophobicContact CB-CD2 4.36Å; M719-F723 HydrophobicContact CB-CE2 4.26Å; M719-F723 WeakPolarHBondContact O-CD2 3.35Å; M719-F723 PolarHBondContact O-N 2.82Å; M719-F723 HydrophobicContact SD-CE2 4.37Å; A720-F723 PolarHBondContact O-N 3.29Å; P721-F723 PolarHBondContact O-N 2.83Å; F723-G725 VanDerWaalsContact C-N 3.29Å; F723-G725 PolarHBondContact O-N 3.31Å |
| 724 | L | 40.7 | Very low | 40.2 | Very low | 134 Ų | 134 | 116 Ų | 116 | 70% | 0.702 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | 13 | 176 | -73.9 | 166.8 | 0 | 0 | 0 | 114.3 | A720 F726 | A720-L724 HydrophobicContact CB-CD1 4.12Å; A720-L724 VanDerWaalsContact O-CB 3.28Å; A720-L724 WeakPolarHBondContact O-CB 3.4Å; A720-L724 WeakPolarHBondContact O-CD1 3.22Å; A720-L724 VanDerWaalsContact O-CG 3.22Å; A720-L724 WeakPolarHBondContact O-CG 3.41Å; A720-L724 PolarHBondContact O-N 3.37Å; L724-F726 PolarHBondContact O-N 3.22Å |
| 725 | G | 32.1 | Very low | 40.3 | Very low | 72 Ų | 72 | 117 Ų | 117 | 74% | 0.742 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | 2.9 | 162.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | F723 | F723-G725 VanDerWaalsContact C-N 3.29Å; F723-G725 PolarHBondContact O-N 3.31Å |
| 726 | F | 30.4 | Very low | 39.8 | Very low | 196 Ų | 196 | 119 Ų | 119 | 86% | 0.86 | 67% | 0.665 | S | S | * | * | trans | -114.5 | 93.4 | 174.3 | -74.9 | -86.2 | 0 | 0 | 0 | 109.9 | L724 | L724-F726 PolarHBondContact O-N 3.22Š| ||
| 727 | S | 32.1 | Very low | 38.7 | Very low | 190 Ų | 190 | 120.2 Ų | 120.2 | 100% | 1.329 | 68% | 0.677 | S | S | * | * | trans | -117 | 0 | 162.3 | 69 | 0 | 0 | 0 | 0 | 110.3 |
Retrieved 727 of 727 residues in 960.3 ms
(Link to these results)