| 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 | 33.4 | Very low | 67.9 | Low | 240 Ų | 240 | 94.3 Ų | 94.3 | 100% | 1.182 | 48% | 0.475 | S | S | * | . | 0 | 122.8 | 0 | -86.6 | 172.6 | 163.6 | 0 | 0 | 107.9 | V3 | M1-V3 PolarHBondContact O-N 3.05Š| |||
| 2 | K | 37.7 | Very low | 69.6 | Low | 205 Ų | 205 | 94.3 Ų | 94.3 | 89% | 0.891 | 47% | 0.472 | S | S | * | . | trans | -69.5 | 117.6 | -176.6 | -76.2 | -179.2 | 176.1 | 178.8 | 0 | 109.2 | V4 | K2-V4 PolarHBondContact O-N 3.03Š| ||
| 3 | V | 46.4 | Very low | 71.1 | Confident | 134 Ų | 134 | 87 Ų | 87 | 81% | 0.812 | 44% | 0.436 | S | S | * | . | trans | -59.1 | 109.9 | 164.5 | 179.4 | 0 | 0 | 0 | 0 | 106.3 | M1 N5 | M1-V3 PolarHBondContact O-N 3.05Å; V3-N5 PolarHBondContact O-N 3.33Å | ||
| 4 | V | 56.8 | Low | 72.6 | Confident | 67 Ų | 67 | 88.5 Ų | 88.5 | 41% | 0.406 | 43% | 0.434 | S | S | . | . | trans | -64.6 | 128.2 | 176.4 | 175.3 | 0 | 0 | 0 | 0 | 107.5 | K2 L6 A9 N30 | K2-V4 PolarHBondContact O-N 3.03Å; V4-L6 PolarHBondContact O-N 3.41Å; V4-A9 HydrophobicContact CG1-CB 4.34Å; V4-N30 HydrophobicContact CB-CB 4.45Å; V4-N30 HydrophobicContact CG1-CB 4.31Å; V4-N30 HydrophobicContact CG2-CB 4.2Å | ||
| 5 | N | 72.8 | Confident | 73.8 | Confident | 80 Ų | 80 | 93.4 Ų | 93.4 | 43% | 0.428 | 45% | 0.452 | S | S | . | . | trans | -68.9 | 101.1 | 173.1 | -175 | -23.2 | 0 | 0 | 0 | 108.2 | V3 K7 Q8 A9 | V3-N5 PolarHBondContact O-N 3.33Å; N5-K7 PolarHBondContact O-N 2.85Å; N5-K7 WeakPolarHBondContact OD1-CB 3.24Å; N5-K7 PolarHBondContact OD1-N 3.24Å; N5-Q8 HydrophobicContact CB-CB 4.14Å; N5-Q8 HydrophobicContact CB-CG 4.03Å; N5-Q8 WeakPolarHBondContact O-CA 3.5Å; N5-Q8 WeakPolarHBondContact O-CB 3.36Å; N5-Q8 PolarHBondContact O-N 3.41Å; N5-A9 PolarHBondContact O-N 3.05Å; N5-A9 VanDerWaalsContact O-N 3.16Å | ||
| 6 | L | 78.3 | Confident | 74.9 | Confident | 27 Ų | 27 | 94.1 Ų | 94.1 | 14% | 0.141 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -58.3 | -34.2 | -173 | -157.4 | 116.3 | 0 | 0 | 0 | 112.4 | V4 A9 I10 F31 L40 F42 A45 | V4-L6 PolarHBondContact O-N 3.41Å; L6-A9 PolarHBondContact O-N 3.44Å; L6-I10 HydrophobicContact CD2-CD1 3.81Å; L6-I10 VanDerWaalsContact O-CG1 3.32Å; L6-I10 WeakPolarHBondContact O-CG1 3.26Å; L6-I10 PolarHBondContact O-N 2.79Å; L6-F31 HydrophobicContact CD1-CZ 4.06Å; L6-L40 HydrophobicContact CD1-CB 4.35Å; L6-F42 HydrophobicContact CD1-CD2 3.77Å; L6-F42 HydrophobicContact CD1-CE2 4.17Å; L6-F42 HydrophobicContact CD2-CD2 3.44Å; L6-F42 VanDerWaalsContact CD2-CD2 3.44Å; L6-F42 HydrophobicContact CD2-CE2 3.93Å; L6-F42 HydrophobicContact CD2-CG 4.48Å; L6-F42 HydrophobicContact CG-CD2 4Å; L6-F42 HydrophobicContact CG-CE2 4.24Å; L6-A45 HydrophobicContact CD2-CB 3.47Å; L6-A45 VanDerWaalsContact CD2-CB 3.47Å |
| 7 | K | 79.8 | Confident | 75.8 | Confident | 85 Ų | 85 | 101 Ų | 101 | 37% | 0.37 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.1 | -41.4 | 173.3 | -68.2 | -174.4 | 174.9 | -173.5 | 0 | 111.9 | N5 A9 I10 L11 E48 | N5-K7 PolarHBondContact O-N 2.85Å; N5-K7 WeakPolarHBondContact OD1-CB 3.24Å; N5-K7 PolarHBondContact OD1-N 3.24Å; K7-A9 VanDerWaalsContact C-N 3.35Å; K7-A9 PolarHBondContact O-N 3.42Å; K7-I10 PolarHBondContact O-N 3.02Å; K7-L11 WeakPolarHBondContact O-CB 3.36Å; K7-L11 VanDerWaalsContact O-CG 3.27Å; K7-L11 WeakPolarHBondContact O-CG 3.14Å; K7-L11 PolarHBondContact O-N 3.21Å; K7-E48 WeakPolarHBondContact CE-OE2 3.48Å; K7-E48 IonicContact NZ-OE2 2.76Å; K7-E48 PolarHBondContact NZ-OE2 3.18Å |
| 8 | Q | 83.4 | Confident | 76.8 | Confident | 130 Ų | 130 | 97.4 Ų | 97.4 | 61% | 0.607 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -65 | -39.1 | 176.3 | -73 | -179.7 | -19.9 | 0 | 0 | 111.9 | N5 L11 Q12 | N5-Q8 HydrophobicContact CB-CB 4.14Å; N5-Q8 HydrophobicContact CB-CG 4.03Å; N5-Q8 WeakPolarHBondContact O-CA 3.5Å; N5-Q8 WeakPolarHBondContact O-CB 3.36Å; N5-Q8 PolarHBondContact O-N 3.41Å; Q8-L11 PolarHBondContact O-N 2.75Å; Q8-Q12 WeakPolarHBondContact O-CB 3.03Å; Q8-Q12 PolarHBondContact O-N 3.3Å |
| 9 | A | 84.1 | Confident | 77.6 | Confident | 8 Ų | 8 | 95.2 Ų | 95.2 | 7% | 0.066 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -66.3 | -40.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | V4 N5 L6 K7 Q12 A13 I27 | V4-A9 HydrophobicContact CG1-CB 4.34Å; N5-A9 PolarHBondContact O-N 3.05Å; N5-A9 VanDerWaalsContact O-N 3.16Å; L6-A9 PolarHBondContact O-N 3.44Å; K7-A9 VanDerWaalsContact C-N 3.35Å; K7-A9 PolarHBondContact O-N 3.42Å; A9-Q12 PolarHBondContact O-N 3.14Å; A9-A13 PolarHBondContact O-N 3.49Å; A9-I27 HydrophobicContact CB-CD1 3.66Å |
| 10 | I | 87.5 | Confident | 78.2 | Confident | 0 Ų | 0 | 93.1 Ų | 93.1 | 0% | 0 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -63.4 | -45.3 | 173.8 | -66.4 | 163.9 | 0 | 0 | 0 | 110.5 | L6 K7 Q12 A13 W14 A45 L46 Q49 I60 | L6-I10 HydrophobicContact CD2-CD1 3.81Å; L6-I10 VanDerWaalsContact O-CG1 3.32Å; L6-I10 WeakPolarHBondContact O-CG1 3.26Å; L6-I10 PolarHBondContact O-N 2.79Å; K7-I10 PolarHBondContact O-N 3.02Å; I10-Q12 VanDerWaalsContact C-N 3.32Å; I10-Q12 PolarHBondContact O-N 3.23Å; I10-A13 PolarHBondContact O-N 3.25Å; I10-W14 WeakPolarHBondContact O-CB 3.46Å; I10-W14 PolarHBondContact O-N 3.31Å; I10-A45 HydrophobicContact CD1-CB 3.97Å; I10-L46 HydrophobicContact CD1-CD2 3.84Å; I10-L46 HydrophobicContact CD1-CG 4.04Å; I10-L46 HydrophobicContact CG1-CD2 3.93Å; I10-L46 HydrophobicContact CG2-CD2 4.14Å; I10-Q49 HydrophobicContact CG2-CB 4.19Å; I10-Q49 HydrophobicContact CG2-CG 4.24Å; I10-I60 HydrophobicContact CG2-CD1 4.27Å; I10-I60 HydrophobicContact CG2-CG2 4.15Å |
| 11 | L | 86.4 | Confident | 78.6 | Confident | 61 Ų | 61 | 96.3 Ų | 96.3 | 32% | 0.319 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -65.4 | -35.1 | 178.5 | -73.7 | 171.4 | 0 | 0 | 0 | 112.5 | K7 Q8 W14 K15 | K7-L11 WeakPolarHBondContact O-CB 3.36Å; K7-L11 VanDerWaalsContact O-CG 3.27Å; K7-L11 WeakPolarHBondContact O-CG 3.14Å; K7-L11 PolarHBondContact O-N 3.21Å; Q8-L11 PolarHBondContact O-N 2.75Å; L11-W14 HydrophobicContact CD2-CE3 4.47Å; L11-W14 PolarHBondContact O-N 3.21Å; L11-K15 WeakPolarHBondContact O-CB 3.21Å; L11-K15 VanDerWaalsContact O-CG 3.29Å; L11-K15 WeakPolarHBondContact O-CG 3.31Å; L11-K15 PolarHBondContact O-N 2.82Å |
| 12 | Q | 88.8 | Confident | 81.2 | Confident | 94 Ų | 94 | 89.6 Ų | 89.6 | 44% | 0.439 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -64.8 | -49 | 173.5 | -177.4 | 175.1 | 0.2 | 0 | 0 | 110.8 | Q8 A9 I10 W14 K15 E16 | Q8-Q12 WeakPolarHBondContact O-CB 3.03Å; Q8-Q12 PolarHBondContact O-N 3.3Å; A9-Q12 PolarHBondContact O-N 3.14Å; I10-Q12 VanDerWaalsContact C-N 3.32Å; I10-Q12 PolarHBondContact O-N 3.23Å; Q12-W14 PolarHBondContact O-N 3.22Å; Q12-K15 PolarHBondContact O-N 3.29Å; Q12-K15 VanDerWaalsContact O-N 3.17Å; Q12-E16 HydrophobicContact CG-CG 4.41Å; Q12-E16 WeakPolarHBondContact CG-OE1 3.38Å; Q12-E16 PolarHBondContact NE2-OE1 3.13Å; Q12-E16 WeakPolarHBondContact O-CB 3.5Å; Q12-E16 WeakPolarHBondContact O-CG 3.42Å; Q12-E16 PolarHBondContact O-N 3.06Å |
| 13 | A | 89.3 | Confident | 83.7 | Confident | 0 Ų | 0 | 79.8 Ų | 79.8 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -59 | -36.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | A9 I10 R17 W18 Y63 | A9-A13 PolarHBondContact O-N 3.49Å; I10-A13 PolarHBondContact O-N 3.25Å; A13-R17 PolarHBondContact O-N 3.13Å; A13-R17 VanDerWaalsContact O-N 3.12Å; A13-W18 HydrophobicContact CB-CD2 3.85Å; A13-W18 HydrophobicContact CB-CE3 3.3Å; A13-W18 HydrophobicContact CB-CG 4.36Å; A13-W18 HydrophobicContact CB-CZ3 3.78Å; A13-W18 PolarHBondContact O-N 2.84Å; A13-W18 VanDerWaalsContact O-N 3.1Å; A13-Y63 HydrophobicContact CB-CE2 3.99Å; A13-Y63 PolarHBondContact O-OH 3.48Å; A13-Y63 VanDerWaalsContact O-OH 3.06Å |
| 14 | W | 91 | Very high | 85.6 | Confident | 108 Ų | 108 | 73.9 Ų | 73.9 | 41% | 0.409 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -68.7 | -47.1 | 174.5 | 174.5 | 73.4 | 0 | 0 | 0 | 112.2 | I10 L11 Q12 E16 R17 N57 I60 | I10-W14 WeakPolarHBondContact O-CB 3.46Å; I10-W14 PolarHBondContact O-N 3.31Å; L11-W14 HydrophobicContact CD2-CE3 4.47Å; L11-W14 PolarHBondContact O-N 3.21Å; Q12-W14 PolarHBondContact O-N 3.22Å; W14-E16 VanDerWaalsContact C-N 3.32Å; W14-E16 PolarHBondContact O-N 3.37Å; W14-R17 PolarHBondContact O-N 2.93Å; W14-N57 VanDerWaalsContact CD1-ND2 3.34Å; W14-N57 PolarHBondContact NE1-ND2 2.97Å; W14-I60 HydrophobicContact CB-CD1 4.25Å; W14-I60 HydrophobicContact CB-CG1 4.27Å; W14-I60 HydrophobicContact CG-CD1 4.16Å; W14-I60 HydrophobicContact CG-CG1 4.3Å |
| 15 | K | 91 | Very high | 86.9 | Confident | 162 Ų | 162 | 73.3 Ų | 73.3 | 70% | 0.704 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -59.9 | -42 | 177.1 | -78.3 | 177.7 | -178.7 | -176.9 | 0 | 112.2 | L11 Q12 R17 | L11-K15 WeakPolarHBondContact O-CB 3.21Å; L11-K15 VanDerWaalsContact O-CG 3.29Å; L11-K15 WeakPolarHBondContact O-CG 3.31Å; L11-K15 PolarHBondContact O-N 2.82Å; Q12-K15 PolarHBondContact O-N 3.29Å; Q12-K15 VanDerWaalsContact O-N 3.17Å; K15-R17 VanDerWaalsContact C-N 3.29Å |
| 16 | E | 91.6 | Very high | 87.5 | Confident | 105 Ų | 105 | 71.7 Ų | 71.7 | 49% | 0.491 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 0.4 | -179 | -66.1 | -179 | -155.1 | 0 | 0 | 113.4 | Q12 W14 W18 | Q12-E16 HydrophobicContact CG-CG 4.41Å; Q12-E16 WeakPolarHBondContact CG-OE1 3.38Å; Q12-E16 PolarHBondContact NE2-OE1 3.13Å; Q12-E16 WeakPolarHBondContact O-CB 3.5Å; Q12-E16 WeakPolarHBondContact O-CG 3.42Å; Q12-E16 PolarHBondContact O-N 3.06Å; W14-E16 VanDerWaalsContact C-N 3.32Å; W14-E16 PolarHBondContact O-N 3.37Å; E16-W18 VanDerWaalsContact C-N 3.31Å; E16-W18 VanDerWaalsContact CB-NE1 3.28Å; E16-W18 PolarHBondContact O-N 3.39Å; E16-W18 VanDerWaalsContact OE2-CE2 3.32Å; E16-W18 WeakPolarHBondContact OE2-CZ2 3.42Å; E16-W18 PolarHBondContact OE2-NE1 3.48Å |
| 17 | R | 90.4 | Very high | 87.7 | Confident | 211 Ų | 211 | 70.5 Ų | 70.5 | 80% | 0.796 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.5 | 46.7 | 178.8 | -61.3 | -171.1 | 175.3 | -163.2 | -0.6 | 113.8 | A13 W14 K15 | A13-R17 PolarHBondContact O-N 3.13Å; A13-R17 VanDerWaalsContact O-N 3.12Å; W14-R17 PolarHBondContact O-N 2.93Å; K15-R17 VanDerWaalsContact C-N 3.29Å |
| 18 | W | 93.7 | Very high | 87.6 | Confident | 37 Ų | 37 | 73 Ų | 73 | 14% | 0.14 | 33% | 0.333 | C | S | . | . | trans | -59.6 | 143.7 | 177.9 | -67.1 | -5.1 | 0 | 0 | 0 | 111.4 | A13 E16 Q22 W23 N26 Y63 | A13-W18 HydrophobicContact CB-CD2 3.85Å; A13-W18 HydrophobicContact CB-CE3 3.3Å; A13-W18 HydrophobicContact CB-CG 4.36Å; A13-W18 HydrophobicContact CB-CZ3 3.78Å; A13-W18 PolarHBondContact O-N 2.84Å; A13-W18 VanDerWaalsContact O-N 3.1Å; E16-W18 VanDerWaalsContact C-N 3.31Å; E16-W18 VanDerWaalsContact CB-NE1 3.28Å; E16-W18 PolarHBondContact O-N 3.39Å; E16-W18 VanDerWaalsContact OE2-CE2 3.32Å; E16-W18 WeakPolarHBondContact OE2-CZ2 3.42Å; E16-W18 PolarHBondContact OE2-NE1 3.48Å; W18-Q22 HydrophobicContact CB-CB 4.17Å; W18-W23 HydrophobicContact CB-CB 4.19Å; W18-W23 HydrophobicContact CE3-CB 4.2Å; W18-N26 HydrophobicContact CE3-CB 4.09Å; W18-N26 HydrophobicContact CH2-CB 3.63Å; W18-N26 HydrophobicContact CZ2-CB 4.47Å; W18-N26 HydrophobicContact CZ3-CB 3.4Å; W18-N26 VanDerWaalsContact CZ3-CB 3.4Å; W18-Y63 PolarHBondContact N-OH 3.23Å; W18-Y63 WeakPolarHBondContact O-CE1 3.38Å; W18-Y63 PolarHBondContact O-OH 2.88Å | ||
| 19 | S | 91.4 | Very high | 87.3 | Confident | 54 Ų | 54 | 73.8 Ų | 73.8 | 38% | 0.378 | 33% | 0.334 | S | S | . | . | trans | -68.6 | 158.4 | 165.5 | 58.6 | 0 | 0 | 0 | 0 | 110.8 | Y21 Q22 W23 | S19-Y21 PolarHBondContact O-N 3.12Å; S19-Y21 VanDerWaalsContact O-N 3.13Å; S19-Q22 PolarHBondContact O-N 3.44Å; S19-Q22 WeakPolarHBondContact OG-CB 3.44Å; S19-Q22 VanDerWaalsContact OG-CD 3.23Å; S19-Q22 VanDerWaalsContact OG-CG 3.24Å; S19-Q22 WeakPolarHBondContact OG-CG 3.27Å; S19-Q22 PolarHBondContact OG-N 2.91Å; S19-Q22 PolarHBondContact OG-OE1 3.01Å; S19-W23 WeakPolarHBondContact O-CB 3.45Å; S19-W23 PolarHBondContact O-N 3.06Å | ||
| 20 | D | 89.6 | Confident | 86.9 | Confident | 54 Ų | 54 | 76.9 Ų | 76.9 | 29% | 0.289 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -51.3 | -40.8 | 179.4 | -63.3 | -17.6 | 0 | 0 | 0 | 112.4 | A24 S62 Y66 | D20-A24 WeakPolarHBondContact O-CB 3.42Å; D20-A24 PolarHBondContact O-N 3.1Å; D20-S62 WeakPolarHBondContact OD1-CB 3.16Å; D20-S62 PolarHBondContact OD1-OG 3.4Å; D20-Y66 HydrophobicContact CB-CD2 3.57Å; D20-Y66 HydrophobicContact CB-CE2 4.18Å; D20-Y66 HydrophobicContact CB-CG 3.84Å |
| 21 | Y | 86.6 | Confident | 86 | Confident | 160 Ų | 160 | 78.2 Ų | 78.2 | 63% | 0.627 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -67.9 | -47.3 | 177.1 | 179.5 | -101.5 | 0 | 0 | 0 | 112.9 | S19 W23 A24 V25 | S19-Y21 PolarHBondContact O-N 3.12Å; S19-Y21 VanDerWaalsContact O-N 3.13Å; Y21-W23 VanDerWaalsContact C-N 3.27Å; Y21-W23 PolarHBondContact O-N 3.19Å; Y21-A24 PolarHBondContact O-N 3.3Å; Y21-V25 HydrophobicContact CD1-CG2 4.49Å; Y21-V25 HydrophobicContact CE1-CG2 4.1Å; Y21-V25 HydrophobicContact CE2-CG2 4.14Å; Y21-V25 WeakPolarHBondContact O-CG2 3.29Å; Y21-V25 PolarHBondContact O-N 3.02Å |
| 22 | Q | 88.9 | Confident | 85 | Confident | 99 Ų | 99 | 79.3 Ų | 79.3 | 46% | 0.463 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.2 | -40.7 | 177.2 | -75.2 | 167.7 | -35.4 | 0 | 0 | 111.2 | W18 S19 N26 | W18-Q22 HydrophobicContact CB-CB 4.17Å; S19-Q22 PolarHBondContact O-N 3.44Å; S19-Q22 WeakPolarHBondContact OG-CB 3.44Å; S19-Q22 VanDerWaalsContact OG-CD 3.23Å; S19-Q22 VanDerWaalsContact OG-CG 3.24Å; S19-Q22 WeakPolarHBondContact OG-CG 3.27Å; S19-Q22 PolarHBondContact OG-N 2.91Å; S19-Q22 PolarHBondContact OG-OE1 3.01Å; Q22-N26 WeakPolarHBondContact O-CB 3.39Å; Q22-N26 PolarHBondContact O-N 3.43Å; Q22-N26 PolarHBondContact O-ND2 3.41Å |
| 23 | W | 90.5 | Very high | 83.7 | Confident | 0 Ų | 0 | 85.2 Ų | 85.2 | 0% | 0 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -61.6 | -52.1 | 174.9 | 170.1 | 77 | 0 | 0 | 0 | 111.9 | W18 S19 Y21 V25 N26 I27 F42 L46 Y63 Y66 A67 | W18-W23 HydrophobicContact CB-CB 4.19Å; W18-W23 HydrophobicContact CE3-CB 4.2Å; S19-W23 WeakPolarHBondContact O-CB 3.45Å; S19-W23 PolarHBondContact O-N 3.06Å; Y21-W23 VanDerWaalsContact C-N 3.27Å; Y21-W23 PolarHBondContact O-N 3.19Å; W23-V25 VanDerWaalsContact C-N 3.3Å; W23-V25 PolarHBondContact O-N 3.42Å; W23-N26 PolarHBondContact O-N 2.88Å; W23-I27 HydrophobicContact CZ2-CG2 4.42Å; W23-I27 VanDerWaalsContact O-CB 3.27Å; W23-I27 WeakPolarHBondContact O-CB 3.45Å; W23-I27 WeakPolarHBondContact O-CG2 3.27Å; W23-I27 PolarHBondContact O-N 3.17Å; W23-F42 AromaticContact CH2-CE1 3.67Å; W23-F42 HydrophobicContact CH2-CE1 3.67Å; W23-F42 AromaticContact CH2-CZ 3.68Å; W23-F42 HydrophobicContact CH2-CZ 3.68Å; W23-F42 AromaticContact CZ2-CE1 3.81Å; W23-F42 HydrophobicContact CZ2-CE1 3.81Å; W23-F42 HydrophobicContact CZ2-CE2 4.36Å; W23-F42 AromaticContact CZ2-CZ 3.33Å; W23-F42 HydrophobicContact CZ2-CZ 3.33Å; W23-L46 HydrophobicContact CH2-CD1 3.89Å; W23-L46 HydrophobicContact CZ2-CD1 3.86Å; W23-L46 HydrophobicContact CZ2-CD2 3.86Å; W23-L46 HydrophobicContact CZ2-CG 4.42Å; W23-Y63 HydrophobicContact CB-CD1 3.95Å; W23-Y63 HydrophobicContact CB-CE1 3.71Å; W23-Y63 AromaticContact CD1-CD2 3.89Å; W23-Y63 AromaticContact CD1-CE2 3.92Å; W23-Y63 AromaticContact CD2-CD1 3.79Å; W23-Y63 HydrophobicContact CD2-CD1 3.79Å; W23-Y63 HydrophobicContact CD2-CD2 4.13Å; W23-Y63 HydrophobicContact CD2-CE1 4.41Å; W23-Y63 AromaticContact CD2-CG 3.63Å; W23-Y63 HydrophobicContact CD2-CG 3.63Å; W23-Y63 AromaticContact CE2-CG 3.83Å; W23-Y63 AromaticContact CE3-CD1 4Å; W23-Y63 HydrophobicContact CE3-CD1 4Å; W23-Y63 HydrophobicContact CE3-CG 4.02Å; W23-Y63 AromaticContact CG-CD1 3.77Å; W23-Y63 HydrophobicContact CG-CD1 3.77Å; W23-Y63 HydrophobicContact CG-CD2 4.05Å; W23-Y63 AromaticContact CG-CE1 3.9Å; W23-Y63 HydrophobicContact CG-CE1 3.9Å; W23-Y63 HydrophobicContact CG-CE2 4.16Å; W23-Y63 AromaticContact CG-CG 3.85Å; W23-Y63 HydrophobicContact CG-CG 3.85Å; W23-Y63 WeakPolarHBondContact CH2-O 2.99Å; W23-Y63 HydrophobicContact CZ2-CG 4.35Å; W23-Y63 VanDerWaalsContact CZ3-O 3.24Å; W23-Y63 WeakPolarHBondContact CZ3-O 3.49Å; W23-Y63 AromaticContact NE1-CD2 3.83Å; W23-Y66 HydrophobicContact CE3-CD1 4.49Å; W23-Y66 HydrophobicContact CZ3-CD1 4.21Å; W23-A67 HydrophobicContact CH2-CB 4.09Å; W23-A67 HydrophobicContact CZ3-CB 4.4Å |
| 24 | A | 86 | Confident | 82.3 | Confident | 10 Ų | 10 | 89.3 Ų | 89.3 | 8% | 0.083 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -59.1 | -40.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | D20 Y21 K28 Y66 M72 | D20-A24 WeakPolarHBondContact O-CB 3.42Å; D20-A24 PolarHBondContact O-N 3.1Å; Y21-A24 PolarHBondContact O-N 3.3Å; A24-K28 VanDerWaalsContact O-CB 3.26Å; A24-K28 WeakPolarHBondContact O-CB 3.36Å; A24-K28 PolarHBondContact O-N 2.89Å; A24-K28 VanDerWaalsContact O-N 3.14Å; A24-Y66 HydrophobicContact CB-CD1 3.99Å; A24-Y66 HydrophobicContact CB-CE1 3.41Å; A24-Y66 VanDerWaalsContact CB-CE1 3.41Å; A24-M72 HydrophobicContact CB-CE 4.49Å; A24-M72 HydrophobicContact CB-SD 4.15Å |
| 25 | V | 84.7 | Confident | 80.8 | Confident | 55 Ų | 55 | 86.3 Ų | 86.3 | 33% | 0.333 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -66.8 | -46.4 | 177.2 | 171.3 | 0 | 0 | 0 | 0 | 111.7 | Y21 W23 K29 | Y21-V25 HydrophobicContact CD1-CG2 4.49Å; Y21-V25 HydrophobicContact CE1-CG2 4.1Å; Y21-V25 HydrophobicContact CE2-CG2 4.14Å; Y21-V25 WeakPolarHBondContact O-CG2 3.29Å; Y21-V25 PolarHBondContact O-N 3.02Å; W23-V25 VanDerWaalsContact C-N 3.3Å; W23-V25 PolarHBondContact O-N 3.42Å; V25-K29 WeakPolarHBondContact O-CG 3.34Å; V25-K29 PolarHBondContact O-N 3.28Å |
| 26 | N | 84.8 | Confident | 79.4 | Confident | 45 Ų | 45 | 82.8 Ų | 82.8 | 24% | 0.241 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -75.5 | -34.6 | -176.3 | -73.9 | -32 | 0 | 0 | 0 | 112.6 | W18 Q22 W23 K29 | W18-N26 HydrophobicContact CE3-CB 4.09Å; W18-N26 HydrophobicContact CH2-CB 3.63Å; W18-N26 HydrophobicContact CZ2-CB 4.47Å; W18-N26 HydrophobicContact CZ3-CB 3.4Å; W18-N26 VanDerWaalsContact CZ3-CB 3.4Å; Q22-N26 WeakPolarHBondContact O-CB 3.39Å; Q22-N26 PolarHBondContact O-N 3.43Å; Q22-N26 PolarHBondContact O-ND2 3.41Å; W23-N26 PolarHBondContact O-N 2.88Å; N26-K29 PolarHBondContact O-N 3.46Å; N26-K29 PolarHBondContact OD1-NZ 2.97Å |
| 27 | I | 83.2 | Confident | 78.1 | Confident | 2 Ų | 2 | 80.3 Ų | 80.3 | 1% | 0.01 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -66.3 | -41.4 | 175.2 | -146.7 | 63.2 | 0 | 0 | 0 | 109.5 | A9 W23 K29 N30 F31 W37 F42 M72 | A9-I27 HydrophobicContact CB-CD1 3.66Å; W23-I27 HydrophobicContact CZ2-CG2 4.42Å; W23-I27 VanDerWaalsContact O-CB 3.27Å; W23-I27 WeakPolarHBondContact O-CB 3.45Å; W23-I27 WeakPolarHBondContact O-CG2 3.27Å; W23-I27 PolarHBondContact O-N 3.17Å; I27-K29 VanDerWaalsContact C-N 3.28Å; I27-K29 PolarHBondContact O-N 3.46Å; I27-N30 VanDerWaalsContact O-CB 3.31Å; I27-N30 WeakPolarHBondContact O-CB 3.37Å; I27-N30 PolarHBondContact O-N 3.3Å; I27-F31 HydrophobicContact CG1-CE2 4.12Å; I27-F31 HydrophobicContact CG2-CE2 4.44Å; I27-F31 WeakPolarHBondContact O-CD2 3.5Å; I27-F31 WeakPolarHBondContact O-CE2 3.39Å; I27-W37 HydrophobicContact CG2-CH2 4.36Å; I27-W37 HydrophobicContact CG2-CZ3 4.13Å; I27-F42 HydrophobicContact CG1-CE2 3.84Å; I27-F42 HydrophobicContact CG1-CZ 3.88Å; I27-F42 HydrophobicContact CG2-CZ 4.17Å; I27-M72 HydrophobicContact CG2-CE 3.89Å |
| 28 | K | 76.9 | Confident | 76.6 | Confident | 139 Ų | 139 | 73 Ų | 73 | 60% | 0.604 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -58.4 | -33.5 | 177.3 | -169.8 | 171.5 | -177.8 | 176.6 | 0 | 114.2 | A24 N30 F31 W37 | A24-K28 VanDerWaalsContact O-CB 3.26Å; A24-K28 WeakPolarHBondContact O-CB 3.36Å; A24-K28 PolarHBondContact O-N 2.89Å; A24-K28 VanDerWaalsContact O-N 3.14Å; K28-N30 PolarHBondContact O-N 3.21Å; K28-F31 PolarHBondContact O-N 3.16Å; K28-W37 HydrophobicContact CB-CH2 3.72Å; K28-W37 HydrophobicContact CB-CZ2 4.22Å; K28-W37 HydrophobicContact CD-CZ2 4.22Å; K28-W37 HydrophobicContact CG-CH2 3.86Å; K28-W37 HydrophobicContact CG-CZ2 3.87Å |
| 29 | K | 77.9 | Confident | 74.9 | Confident | 145 Ų | 145 | 80.6 Ų | 80.6 | 63% | 0.63 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -21 | 176.3 | -68.3 | 171.2 | -172.2 | 165.6 | 0 | 113 | V25 N26 I27 F31 | V25-K29 WeakPolarHBondContact O-CG 3.34Å; V25-K29 PolarHBondContact O-N 3.28Å; N26-K29 PolarHBondContact O-N 3.46Å; N26-K29 PolarHBondContact OD1-NZ 2.97Å; I27-K29 VanDerWaalsContact C-N 3.28Å; I27-K29 PolarHBondContact O-N 3.46Å; K29-F31 VanDerWaalsContact C-N 3.35Å |
| 30 | N | 74 | Confident | 73.6 | Confident | 73 Ų | 73 | 81.1 Ų | 81.1 | 39% | 0.39 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -1.7 | -179.5 | -60.7 | -29.1 | 0 | 0 | 0 | 113.3 | V4 I27 K28 | V4-N30 HydrophobicContact CB-CB 4.45Å; V4-N30 HydrophobicContact CG1-CB 4.31Å; V4-N30 HydrophobicContact CG2-CB 4.2Å; I27-N30 VanDerWaalsContact O-CB 3.31Å; I27-N30 WeakPolarHBondContact O-CB 3.37Å; I27-N30 PolarHBondContact O-N 3.3Å; K28-N30 PolarHBondContact O-N 3.21Å |
| 31 | F | 69.1 | Low | 73 | Confident | 29 Ų | 29 | 83.4 Ų | 83.4 | 13% | 0.127 | 43% | 0.427 | C | S | . | . | S | Bend | trans | -98.9 | 141.6 | -177.5 | -69.9 | -102.4 | 0 | 0 | 0 | 112.2 | L6 I27 K28 K29 K33 W37 L40 F42 | L6-F31 HydrophobicContact CD1-CZ 4.06Å; I27-F31 HydrophobicContact CG1-CE2 4.12Å; I27-F31 HydrophobicContact CG2-CE2 4.44Å; I27-F31 WeakPolarHBondContact O-CD2 3.5Å; I27-F31 WeakPolarHBondContact O-CE2 3.39Å; K28-F31 PolarHBondContact O-N 3.16Å; K29-F31 VanDerWaalsContact C-N 3.35Å; F31-K33 PolarHBondContact O-N 2.85Å; F31-W37 AromaticContact CD1-CE3 3.97Å; F31-W37 HydrophobicContact CD1-CE3 3.97Å; F31-W37 HydrophobicContact CD1-CZ3 4.13Å; F31-W37 HydrophobicContact CD2-CE3 4.16Å; F31-W37 AromaticContact CD2-CH2 3.86Å; F31-W37 HydrophobicContact CD2-CH2 3.86Å; F31-W37 AromaticContact CD2-CZ3 3.49Å; F31-W37 HydrophobicContact CD2-CZ3 3.49Å; F31-W37 VanDerWaalsContact CD2-CZ3 3.49Å; F31-W37 HydrophobicContact CE1-CD2 4.36Å; F31-W37 AromaticContact CE1-CE3 3.48Å; F31-W37 HydrophobicContact CE1-CE3 3.48Å; F31-W37 VanDerWaalsContact CE1-CE3 3.48Å; F31-W37 AromaticContact CE1-CZ3 3.78Å; F31-W37 HydrophobicContact CE1-CZ3 3.78Å; F31-W37 AromaticContact CE2-CE3 3.76Å; F31-W37 HydrophobicContact CE2-CE3 3.76Å; F31-W37 AromaticContact CE2-CH2 3.92Å; F31-W37 HydrophobicContact CE2-CH2 3.92Å; F31-W37 AromaticContact CE2-CZ3 3.13Å; F31-W37 HydrophobicContact CE2-CZ3 3.13Å; F31-W37 HydrophobicContact CG-CE3 4.29Å; F31-W37 HydrophobicContact CG-CH2 4.36Å; F31-W37 HydrophobicContact CG-CZ3 4.01Å; F31-W37 AromaticContact CZ-CE3 3.4Å; F31-W37 HydrophobicContact CZ-CE3 3.4Å; F31-W37 HydrophobicContact CZ-CH2 4.41Å; F31-W37 AromaticContact CZ-CZ3 3.29Å; F31-W37 HydrophobicContact CZ-CZ3 3.29Å; F31-L40 HydrophobicContact CD1-CD1 3.49Å; F31-L40 VanDerWaalsContact CD1-CD1 3.49Å; F31-L40 HydrophobicContact CE1-CD1 3.3Å; F31-L40 HydrophobicContact CZ-CD1 4.31Å; F31-F42 HydrophobicContact CZ-CD2 4.07Å; F31-F42 HydrophobicContact CZ-CE2 4.07Å |
| 32 | P | 66.4 | Low | 72.9 | Confident | 83 Ų | 83 | 75.9 Ų | 75.9 | 54% | 0.539 | 40% | 0.397 | S | S | . | . | P | Polyproline II helix | trans | -58.7 | 136.8 | 170 | -18.1 | 29.6 | 0 | 0 | 0 | 111 | G34 A35 | P32-G34 PolarHBondContact O-N 3.38Å; P32-G34 VanDerWaalsContact O-N 3.13Å; P32-A35 HydrophobicContact CB-CB 4.24Å; P32-A35 HydrophobicContact CG-CB 4.38Å; P32-A35 PolarHBondContact O-N 2.94Å |
| 33 | K | 61.2 | Low | 72.9 | Confident | 219 Ų | 219 | 71.2 Ų | 71.2 | 95% | 0.952 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | 118.2 | 174 | -71.3 | -175.6 | 178 | -179.1 | 0 | 109.3 | F31 | F31-K33 PolarHBondContact O-N 2.85Š|
| 34 | G | 59.1 | Low | 72.8 | Confident | 86 Ų | 86 | 73 Ų | 73 | 89% | 0.887 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 99.2 | -2.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | P32 | P32-G34 PolarHBondContact O-N 3.38Å; P32-G34 VanDerWaalsContact O-N 3.13Å |
| 35 | A | 59.5 | Low | 73 | Confident | 44 Ų | 44 | 73.1 Ų | 73.1 | 36% | 0.364 | 39% | 0.385 | S | S | . | . | trans | -82.5 | 141.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | P32 | P32-A35 HydrophobicContact CB-CB 4.24Å; P32-A35 HydrophobicContact CG-CB 4.38Å; P32-A35 PolarHBondContact O-N 2.94Å | ||
| 36 | T | 62.8 | Low | 73.2 | Confident | 89 Ų | 89 | 70.5 Ų | 70.5 | 55% | 0.546 | 37% | 0.369 | S | S | . | . | trans | -76.9 | 141.7 | 170.9 | 52.8 | 0 | 0 | 0 | 0 | 110.3 | D38 Y39 | T36-D38 PolarHBondContact O-N 2.94Å; T36-Y39 WeakPolarHBondContact O-CB 2.79Å; T36-Y39 PolarHBondContact O-N 2.87Å | ||
| 37 | W | 63.2 | Low | 73.5 | Confident | 53 Ų | 53 | 68.7 Ų | 68.7 | 20% | 0.201 | 36% | 0.359 | C | S | . | . | G | 310 helix | trans | -62.6 | -27.5 | -177.3 | -63.6 | 95.8 | 0 | 0 | 0 | 114.1 | I27 K28 F31 Y39 M72 | I27-W37 HydrophobicContact CG2-CH2 4.36Å; I27-W37 HydrophobicContact CG2-CZ3 4.13Å; K28-W37 HydrophobicContact CB-CH2 3.72Å; K28-W37 HydrophobicContact CB-CZ2 4.22Å; K28-W37 HydrophobicContact CD-CZ2 4.22Å; K28-W37 HydrophobicContact CG-CH2 3.86Å; K28-W37 HydrophobicContact CG-CZ2 3.87Å; F31-W37 AromaticContact CD1-CE3 3.97Å; F31-W37 HydrophobicContact CD1-CE3 3.97Å; F31-W37 HydrophobicContact CD1-CZ3 4.13Å; F31-W37 HydrophobicContact CD2-CE3 4.16Å; F31-W37 AromaticContact CD2-CH2 3.86Å; F31-W37 HydrophobicContact CD2-CH2 3.86Å; F31-W37 AromaticContact CD2-CZ3 3.49Å; F31-W37 HydrophobicContact CD2-CZ3 3.49Å; F31-W37 VanDerWaalsContact CD2-CZ3 3.49Å; F31-W37 HydrophobicContact CE1-CD2 4.36Å; F31-W37 AromaticContact CE1-CE3 3.48Å; F31-W37 HydrophobicContact CE1-CE3 3.48Å; F31-W37 VanDerWaalsContact CE1-CE3 3.48Å; F31-W37 AromaticContact CE1-CZ3 3.78Å; F31-W37 HydrophobicContact CE1-CZ3 3.78Å; F31-W37 AromaticContact CE2-CE3 3.76Å; F31-W37 HydrophobicContact CE2-CE3 3.76Å; F31-W37 AromaticContact CE2-CH2 3.92Å; F31-W37 HydrophobicContact CE2-CH2 3.92Å; F31-W37 AromaticContact CE2-CZ3 3.13Å; F31-W37 HydrophobicContact CE2-CZ3 3.13Å; F31-W37 HydrophobicContact CG-CE3 4.29Å; F31-W37 HydrophobicContact CG-CH2 4.36Å; F31-W37 HydrophobicContact CG-CZ3 4.01Å; F31-W37 AromaticContact CZ-CE3 3.4Å; F31-W37 HydrophobicContact CZ-CE3 3.4Å; F31-W37 HydrophobicContact CZ-CH2 4.41Å; F31-W37 AromaticContact CZ-CZ3 3.29Å; F31-W37 HydrophobicContact CZ-CZ3 3.29Å; W37-Y39 VanDerWaalsContact C-N 3.28Å; W37-Y39 PolarHBondContact O-N 3.49Å; W37-M72 WeakPolarHBondContact CB-O 3.43Å; W37-M72 HydrophobicContact CD2-CB 4.43Å; W37-M72 HydrophobicContact CD2-CE 4.42Å; W37-M72 HydrophobicContact CE3-CE 3.98Å; W37-M72 HydrophobicContact CH2-CE 3.31Å; W37-M72 HydrophobicContact CZ2-CE 3.81Å; W37-M72 HydrophobicContact CZ3-CE 3.38Å |
| 38 | D | 59.7 | Low | 73.8 | Confident | 56 Ų | 56 | 72.5 Ų | 72.5 | 30% | 0.299 | 38% | 0.377 | S | S | . | . | G | 310 helix | trans | -69.4 | -22.5 | -179.5 | -72.5 | -16.9 | 0 | 0 | 0 | 113.5 | T36 L40 N41 S74 S77 | T36-D38 PolarHBondContact O-N 2.94Å; D38-L40 PolarHBondContact O-N 3.5Å; D38-N41 PolarHBondContact O-N 3.18Å; D38-S74 PolarHBondContact OD1-N 3.06Å; D38-S74 PolarHBondContact OD1-OG 3.47Å; D38-S74 WeakPolarHBondContact OD2-CB 3.38Å; D38-S74 PolarHBondContact OD2-OG 3.17Å; D38-S77 PolarHBondContact OD1-OG 3.42Å |
| 39 | Y | 58.5 | Low | 74.5 | Confident | 198 Ų | 198 | 67 Ų | 67 | 78% | 0.776 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -64.7 | -13.7 | -179.3 | -168.6 | -95.8 | 0 | 0 | 0 | 113.5 | T36 W37 | T36-Y39 WeakPolarHBondContact O-CB 2.79Å; T36-Y39 PolarHBondContact O-N 2.87Å; W37-Y39 VanDerWaalsContact C-N 3.28Å; W37-Y39 PolarHBondContact O-N 3.49Å |
| 40 | L | 63 | Low | 75.1 | Confident | 64 Ų | 64 | 60.2 Ų | 60.2 | 34% | 0.335 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -111.5 | 14 | -173 | -72.9 | 165 | 0 | 0 | 0 | 114.2 | L6 F31 D38 F42 | L6-L40 HydrophobicContact CD1-CB 4.35Å; F31-L40 HydrophobicContact CD1-CD1 3.49Å; F31-L40 VanDerWaalsContact CD1-CD1 3.49Å; F31-L40 HydrophobicContact CE1-CD1 3.3Å; F31-L40 HydrophobicContact CZ-CD1 4.31Å; D38-L40 PolarHBondContact O-N 3.5Å; L40-F42 PolarHBondContact O-N 3.23Å; L40-F42 VanDerWaalsContact O-N 3.13Å |
| 41 | N | 77.8 | Confident | 76 | Confident | 103 Ų | 103 | 57.2 Ų | 57.2 | 55% | 0.551 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.2 | 39.3 | -176.4 | -64.7 | -24.3 | 0 | 0 | 0 | 112.2 | D38 A43 E44 A45 | D38-N41 PolarHBondContact O-N 3.18Å; N41-A43 PolarHBondContact O-N 2.89Å; N41-E44 HydrophobicContact CB-CB 4.27Å; N41-E44 WeakPolarHBondContact O-CB 3.38Å; N41-E44 PolarHBondContact O-N 3.36Å; N41-A45 PolarHBondContact O-N 3.17Å |
| 42 | F | 84.9 | Confident | 76.9 | Confident | 1 Ų | 1 | 61.6 Ų | 61.6 | 0% | 0.004 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.3 | -42.6 | -169.7 | -170.5 | -116.5 | 0 | 0 | 0 | 112.8 | L6 W23 I27 F31 L40 A45 L46 A67 V73 | L6-F42 HydrophobicContact CD1-CD2 3.77Å; L6-F42 HydrophobicContact CD1-CE2 4.17Å; L6-F42 HydrophobicContact CD2-CD2 3.44Å; L6-F42 VanDerWaalsContact CD2-CD2 3.44Å; L6-F42 HydrophobicContact CD2-CE2 3.93Å; L6-F42 HydrophobicContact CD2-CG 4.48Å; L6-F42 HydrophobicContact CG-CD2 4Å; L6-F42 HydrophobicContact CG-CE2 4.24Å; W23-F42 AromaticContact CH2-CE1 3.67Å; W23-F42 HydrophobicContact CH2-CE1 3.67Å; W23-F42 AromaticContact CH2-CZ 3.68Å; W23-F42 HydrophobicContact CH2-CZ 3.68Å; W23-F42 AromaticContact CZ2-CE1 3.81Å; W23-F42 HydrophobicContact CZ2-CE1 3.81Å; W23-F42 HydrophobicContact CZ2-CE2 4.36Å; W23-F42 AromaticContact CZ2-CZ 3.33Å; W23-F42 HydrophobicContact CZ2-CZ 3.33Å; I27-F42 HydrophobicContact CG1-CE2 3.84Å; I27-F42 HydrophobicContact CG1-CZ 3.88Å; I27-F42 HydrophobicContact CG2-CZ 4.17Å; F31-F42 HydrophobicContact CZ-CD2 4.07Å; F31-F42 HydrophobicContact CZ-CE2 4.07Å; L40-F42 PolarHBondContact O-N 3.23Å; L40-F42 VanDerWaalsContact O-N 3.13Å; F42-A45 PolarHBondContact O-N 3.39Å; F42-L46 HydrophobicContact CD1-CD1 3.93Å; F42-L46 HydrophobicContact CE1-CD1 3.65Å; F42-L46 HydrophobicContact CZ-CD1 4.02Å; F42-L46 PolarHBondContact O-N 2.67Å; F42-A67 HydrophobicContact CE1-CB 4.41Å; F42-V73 HydrophobicContact CB-CG1 4.24Å; F42-V73 HydrophobicContact CD1-CG1 3.61Å; F42-V73 HydrophobicContact CG-CG1 4.4Å |
| 43 | A | 88.6 | Confident | 77.8 | Confident | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.008 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.6 | -42.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | N41 L46 M47 L64 V73 V78 A81 | N41-A43 PolarHBondContact O-N 2.89Å; A43-L46 PolarHBondContact O-N 3.18Å; A43-M47 WeakPolarHBondContact O-CB 3.24Å; A43-M47 PolarHBondContact O-N 3.3Å; A43-L64 HydrophobicContact CB-CD1 4.45Å; A43-V73 HydrophobicContact CB-CB 4.41Å; A43-V73 HydrophobicContact CB-CG1 4.2Å; A43-V78 HydrophobicContact CB-CG2 4.04Å; A43-A81 HydrophobicContact CB-CB 4.49Å |
| 44 | E | 88.4 | Confident | 78.7 | Confident | 39 Ų | 39 | 53.7 Ų | 53.7 | 18% | 0.182 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.8 | -46.4 | 177.3 | -179.4 | 173.4 | -174 | 0 | 0 | 111.4 | N41 L46 M47 E48 A81 K84 | N41-E44 HydrophobicContact CB-CB 4.27Å; N41-E44 WeakPolarHBondContact O-CB 3.38Å; N41-E44 PolarHBondContact O-N 3.36Å; E44-L46 PolarHBondContact O-N 2.86Å; E44-M47 PolarHBondContact O-N 3.46Å; E44-E48 HydrophobicContact CG-CG 4.45Å; E44-E48 WeakPolarHBondContact O-CB 3.48Å; E44-E48 WeakPolarHBondContact O-CG 3.49Å; E44-E48 PolarHBondContact O-N 3.2Å; E44-A81 HydrophobicContact CB-CB 4.17Å; E44-K84 WeakPolarHBondContact OE1-CD 3.35Å; E44-K84 IonicContact OE1-NZ 2.75Å; E44-K84 PolarHBondContact OE1-NZ 3.49Å; E44-K84 IonicContact OE2-NZ 2.95Å; E44-K84 PolarHBondContact OE2-NZ 3.19Å |
| 45 | A | 88.6 | Confident | 80.1 | Confident | 12 Ų | 12 | 52.6 Ų | 52.6 | 10% | 0.099 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.7 | -40.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L6 I10 N41 F42 Q49 | L6-A45 HydrophobicContact CD2-CB 3.47Å; L6-A45 VanDerWaalsContact CD2-CB 3.47Å; I10-A45 HydrophobicContact CD1-CB 3.97Å; N41-A45 PolarHBondContact O-N 3.17Å; F42-A45 PolarHBondContact O-N 3.39Å; A45-Q49 VanDerWaalsContact O-CG 3.27Å; A45-Q49 WeakPolarHBondContact O-CG 3.42Å; A45-Q49 PolarHBondContact O-N 3.38Å |
| 46 | L | 90.7 | Very high | 81.6 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.9 | -42.2 | 174 | -77.3 | 168.9 | 0 | 0 | 0 | 111.6 | I10 W23 F42 A43 E44 Q49 A50 I60 L64 | I10-L46 HydrophobicContact CD1-CD2 3.84Å; I10-L46 HydrophobicContact CD1-CG 4.04Å; I10-L46 HydrophobicContact CG1-CD2 3.93Å; I10-L46 HydrophobicContact CG2-CD2 4.14Å; W23-L46 HydrophobicContact CH2-CD1 3.89Å; W23-L46 HydrophobicContact CZ2-CD1 3.86Å; W23-L46 HydrophobicContact CZ2-CD2 3.86Å; W23-L46 HydrophobicContact CZ2-CG 4.42Å; F42-L46 HydrophobicContact CD1-CD1 3.93Å; F42-L46 HydrophobicContact CE1-CD1 3.65Å; F42-L46 HydrophobicContact CZ-CD1 4.02Å; F42-L46 PolarHBondContact O-N 2.67Å; A43-L46 PolarHBondContact O-N 3.18Å; E44-L46 PolarHBondContact O-N 2.86Å; L46-Q49 PolarHBondContact O-N 2.81Å; L46-A50 VanDerWaalsContact O-CB 3.32Å; L46-A50 WeakPolarHBondContact O-CB 3.32Å; L46-A50 PolarHBondContact O-N 3.49Å; L46-I60 HydrophobicContact CD2-CG2 4.02Å; L46-I60 VanDerWaalsContact O-CG2 3.31Å; L46-I60 WeakPolarHBondContact O-CG2 3.28Å; L46-L64 HydrophobicContact CB-CB 4.36Å; L46-L64 HydrophobicContact CB-CD1 4.33Å; L46-L64 HydrophobicContact CD1-CB 4.44Å; L46-L64 HydrophobicContact CD1-CD1 4.26Å |
| 47 | M | 90.6 | Very high | 83.1 | Confident | 7 Ų | 7 | 48.8 Ų | 48.8 | 3% | 0.034 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67.1 | -47.4 | -179.7 | -167.2 | 172.3 | -71.2 | 0 | 0 | 112.1 | A43 E44 Q49 A50 M51 L64 A81 I82 L97 | A43-M47 WeakPolarHBondContact O-CB 3.24Å; A43-M47 PolarHBondContact O-N 3.3Å; E44-M47 PolarHBondContact O-N 3.46Å; M47-Q49 VanDerWaalsContact C-N 3.29Å; M47-Q49 PolarHBondContact O-N 2.7Å; M47-A50 PolarHBondContact O-N 3.41Å; M47-A50 VanDerWaalsContact O-N 3.14Å; M47-M51 HydrophobicContact CG-CG 4.21Å; M47-M51 WeakPolarHBondContact O-CB 3.5Å; M47-M51 WeakPolarHBondContact O-CG 3.27Å; M47-M51 PolarHBondContact O-N 2.96Å; M47-L64 HydrophobicContact CE-CD2 4.05Å; M47-A81 HydrophobicContact CB-CB 4.35Å; M47-A81 HydrophobicContact CE-CB 3.78Å; M47-A81 HydrophobicContact SD-CB 3.69Å; M47-A81 VanDerWaalsContact SD-O 3.32Å; M47-I82 HydrophobicContact CE-CB 4.43Å; M47-I82 HydrophobicContact CE-CD1 4.49Å; M47-I82 HydrophobicContact CE-CG1 3.45Å; M47-I82 VanDerWaalsContact CE-CG1 3.45Å; M47-I82 HydrophobicContact SD-CG1 4.15Å; M47-I82 PolarHBondContact SD-N 2.84Å; M47-L97 HydrophobicContact CE-CD2 3.77Å; M47-L97 HydrophobicContact CG-CD2 4.07Å; M47-L97 HydrophobicContact SD-CD2 3.66Å |
| 48 | E | 89.6 | Confident | 84.4 | Confident | 81 Ų | 81 | 51.1 Ų | 51.1 | 38% | 0.379 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -55.2 | -45.5 | 176 | -77.1 | -175.3 | 171.2 | 0 | 0 | 111.6 | K7 E44 M51 I52 | K7-E48 WeakPolarHBondContact CE-OE2 3.48Å; K7-E48 IonicContact NZ-OE2 2.76Å; K7-E48 PolarHBondContact NZ-OE2 3.18Å; E44-E48 HydrophobicContact CG-CG 4.45Å; E44-E48 WeakPolarHBondContact O-CB 3.48Å; E44-E48 WeakPolarHBondContact O-CG 3.49Å; E44-E48 PolarHBondContact O-N 3.2Å; E48-M51 PolarHBondContact O-N 3.39Å; E48-I52 VanDerWaalsContact O-CG1 3.29Å; E48-I52 WeakPolarHBondContact O-CG1 3.4Å |
| 49 | Q | 90.5 | Very high | 86 | Confident | 25 Ų | 25 | 50.6 Ų | 50.6 | 12% | 0.117 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -71.5 | -32.3 | 179.7 | -64.6 | -55.6 | -64.6 | 0 | 0 | 112.6 | I10 A45 L46 M47 M51 I60 | I10-Q49 HydrophobicContact CG2-CB 4.19Å; I10-Q49 HydrophobicContact CG2-CG 4.24Å; A45-Q49 VanDerWaalsContact O-CG 3.27Å; A45-Q49 WeakPolarHBondContact O-CG 3.42Å; A45-Q49 PolarHBondContact O-N 3.38Å; L46-Q49 PolarHBondContact O-N 2.81Å; M47-Q49 VanDerWaalsContact C-N 3.29Å; M47-Q49 PolarHBondContact O-N 2.7Å; Q49-M51 VanDerWaalsContact C-N 3.28Å; Q49-M51 PolarHBondContact O-N 3.32Å; Q49-I60 HydrophobicContact CB-CD1 3.92Å; Q49-I60 HydrophobicContact CB-CG2 4.27Å |
| 50 | A | 91.7 | Very high | 87.6 | Confident | 2 Ų | 2 | 41.3 Ų | 41.3 | 2% | 0.017 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67.7 | -30.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L46 M47 P56 N57 I60 L61 | L46-A50 VanDerWaalsContact O-CB 3.32Å; L46-A50 WeakPolarHBondContact O-CB 3.32Å; L46-A50 PolarHBondContact O-N 3.49Å; M47-A50 PolarHBondContact O-N 3.41Å; M47-A50 VanDerWaalsContact O-N 3.14Å; A50-P56 CarbonylContact O-C 3.47Å; A50-P56 WeakPolarHBondContact O-CA 3.32Å; A50-N57 PolarHBondContact O-N 2.93Å; A50-I60 HydrophobicContact CB-CB 4.16Å; A50-I60 HydrophobicContact CB-CG2 3.95Å; A50-L61 HydrophobicContact CB-CD1 4.32Å |
| 51 | M | 91.7 | Very high | 88.9 | Confident | 10 Ų | 10 | 38.9 Ų | 38.9 | 5% | 0.049 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | 16.8 | -169 | -58.9 | -62.6 | 162.6 | 0 | 0 | 114.7 | M47 E48 Q49 P56 L61 F85 R90 C93 L97 | M47-M51 HydrophobicContact CG-CG 4.21Å; M47-M51 WeakPolarHBondContact O-CB 3.5Å; M47-M51 WeakPolarHBondContact O-CG 3.27Å; M47-M51 PolarHBondContact O-N 2.96Å; E48-M51 PolarHBondContact O-N 3.39Å; Q49-M51 VanDerWaalsContact C-N 3.28Å; Q49-M51 PolarHBondContact O-N 3.32Å; M51-P56 HydrophobicContact CE-CB 4Å; M51-P56 HydrophobicContact SD-CB 3.93Å; M51-L61 HydrophobicContact CE-CD1 3.8Å; M51-F85 HydrophobicContact CB-CD2 4.41Å; M51-F85 HydrophobicContact CB-CE2 4.15Å; M51-F85 HydrophobicContact CG-CD2 4.41Å; M51-F85 HydrophobicContact CG-CE2 4.34Å; M51-R90 PolarHBondContact O-NH1 3.29Å; M51-C93 HydrophobicContact SD-CB 3.7Å; M51-L97 HydrophobicContact CE-CD2 3.63Å; M51-L97 HydrophobicContact CE-CG 3.94Å |
| 52 | I | 87.9 | Confident | 89.7 | Confident | 120 Ų | 120 | 35.3 Ų | 35.3 | 62% | 0.615 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -67.1 | -36.4 | 178.8 | -61.6 | -179.7 | 0 | 0 | 0 | 111.9 | E48 | E48-I52 VanDerWaalsContact O-CG1 3.29Å; E48-I52 WeakPolarHBondContact O-CG1 3.4Å |
| 53 | G | 85.1 | Confident | 90.1 | Very high | 26 Ų | 26 | 35.3 Ų | 35.3 | 27% | 0.268 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -85.4 | 177.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115 | S55 | G53-S55 PolarHBondContact O-N 3.26Š|
| 54 | P | 81.3 | Confident | 90.2 | Very high | 111 Ų | 111 | 35.2 Ų | 35.2 | 72% | 0.721 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -70.6 | -18.4 | 170.2 | 30.4 | -35 | 0 | 0 | 0 | 112.6 | ||
| 55 | S | 87.5 | Confident | 90.4 | Very high | 62 Ų | 62 | 36.6 Ų | 36.6 | 43% | 0.434 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -128.3 | 151.7 | 169.4 | 57.4 | 0 | 0 | 0 | 0 | 109.5 | G53 | G53-S55 PolarHBondContact O-N 3.26Š|
| 56 | P | 92.1 | Very high | 90.5 | Very high | 18 Ų | 18 | 39.6 Ų | 39.6 | 12% | 0.117 | 22% | 0.224 | C | C | . | . | trans | -70.4 | 139.7 | -177.9 | 21 | -23.9 | 0 | 0 | 0 | 111.5 | A50 M51 P58 L61 S96 | A50-P56 CarbonylContact O-C 3.47Å; A50-P56 WeakPolarHBondContact O-CA 3.32Å; M51-P56 HydrophobicContact CE-CB 4Å; M51-P56 HydrophobicContact SD-CB 3.93Å; P56-P58 VanDerWaalsContact O-CD 3.28Å; P56-P58 WeakPolarHBondContact O-CD 3.42Å; P56-L61 HydrophobicContact CB-CD1 4.44Å; P56-S96 WeakPolarHBondContact CG-OG 3.36Å | ||
| 57 | N | 94.1 | Very high | 90.5 | Very high | 35 Ų | 35 | 39.6 Ų | 39.6 | 19% | 0.187 | 22% | 0.224 | C | C | . | . | trans | -69.3 | 111.9 | 176.5 | -175.8 | -41.9 | 0 | 0 | 0 | 110.2 | W14 A50 L59 I60 L61 | W14-N57 VanDerWaalsContact CD1-ND2 3.34Å; W14-N57 PolarHBondContact NE1-ND2 2.97Å; A50-N57 PolarHBondContact O-N 2.93Å; N57-L59 VanDerWaalsContact C-N 3.3Å; N57-L59 PolarHBondContact O-N 3.2Å; N57-L59 PolarHBondContact OD1-N 3.21Å; N57-I60 HydrophobicContact CB-CB 4.37Å; N57-I60 HydrophobicContact CB-CD1 4.37Å; N57-I60 HydrophobicContact CB-CG1 4.39Å; N57-I60 PolarHBondContact O-N 3.39Å; N57-I60 PolarHBondContact OD1-N 2.97Å; N57-L61 WeakPolarHBondContact O-CB 3.33Å; N57-L61 PolarHBondContact O-N 3.45Å | ||
| 58 | P | 90.6 | Very high | 90.4 | Very high | 103 Ų | 103 | 39.5 Ų | 39.5 | 67% | 0.669 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -67.2 | -29.3 | -168.9 | 26.3 | -34.8 | 0 | 0 | 0 | 113.2 | P56 S62 | P56-P58 VanDerWaalsContact O-CD 3.28Å; P56-P58 WeakPolarHBondContact O-CD 3.42Å; P58-S62 PolarHBondContact O-N 2.66Å |
| 59 | L | 91.9 | Very high | 90.4 | Very high | 44 Ų | 44 | 39.8 Ų | 39.8 | 23% | 0.23 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -74.7 | -42.8 | 179.7 | -179 | 63.1 | 0 | 0 | 0 | 111.6 | N57 L61 S62 Y63 | N57-L59 VanDerWaalsContact C-N 3.3Å; N57-L59 PolarHBondContact O-N 3.2Å; N57-L59 PolarHBondContact OD1-N 3.21Å; L59-L61 VanDerWaalsContact C-N 3.28Å; L59-L61 PolarHBondContact O-N 3.26Å; L59-S62 PolarHBondContact O-N 2.79Å; L59-S62 PolarHBondContact O-OG 2.89Å; L59-Y63 HydrophobicContact CD1-CE1 3.83Å; L59-Y63 HydrophobicContact CG-CE1 4.18Å; L59-Y63 HydrophobicContact CG-CE2 4.16Å; L59-Y63 WeakPolarHBondContact O-CD1 3.35Å; L59-Y63 PolarHBondContact O-N 3.27Å |
| 60 | I | 92.7 | Very high | 90.2 | Very high | 3 Ų | 3 | 41 Ų | 41 | 2% | 0.015 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -70.1 | -33.8 | 176 | -56.7 | 179.3 | 0 | 0 | 0 | 110 | I10 W14 L46 Q49 A50 N57 S62 Y63 L64 | I10-I60 HydrophobicContact CG2-CD1 4.27Å; I10-I60 HydrophobicContact CG2-CG2 4.15Å; W14-I60 HydrophobicContact CB-CD1 4.25Å; W14-I60 HydrophobicContact CB-CG1 4.27Å; W14-I60 HydrophobicContact CG-CD1 4.16Å; W14-I60 HydrophobicContact CG-CG1 4.3Å; L46-I60 HydrophobicContact CD2-CG2 4.02Å; L46-I60 VanDerWaalsContact O-CG2 3.31Å; L46-I60 WeakPolarHBondContact O-CG2 3.28Å; Q49-I60 HydrophobicContact CB-CD1 3.92Å; Q49-I60 HydrophobicContact CB-CG2 4.27Å; A50-I60 HydrophobicContact CB-CB 4.16Å; A50-I60 HydrophobicContact CB-CG2 3.95Å; N57-I60 HydrophobicContact CB-CB 4.37Å; N57-I60 HydrophobicContact CB-CD1 4.37Å; N57-I60 HydrophobicContact CB-CG1 4.39Å; N57-I60 PolarHBondContact O-N 3.39Å; N57-I60 PolarHBondContact OD1-N 2.97Å; I60-S62 VanDerWaalsContact C-N 3.35Å; I60-Y63 WeakPolarHBondContact O-CB 3.39Å; I60-Y63 PolarHBondContact O-N 2.93Å; I60-L64 PolarHBondContact O-N 3.4Å; I60-L64 VanDerWaalsContact O-N 3.12Å |
| 61 | L | 91.8 | Very high | 89.8 | Confident | 13 Ų | 13 | 48.2 Ų | 48.2 | 7% | 0.068 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.4 | -39 | 172.2 | -153.8 | 83.4 | 0 | 0 | 0 | 111.7 | A50 M51 P56 N57 L59 Y63 L64 K65 I100 | A50-L61 HydrophobicContact CB-CD1 4.32Å; M51-L61 HydrophobicContact CE-CD1 3.8Å; P56-L61 HydrophobicContact CB-CD1 4.44Å; N57-L61 WeakPolarHBondContact O-CB 3.33Å; N57-L61 PolarHBondContact O-N 3.45Å; L59-L61 VanDerWaalsContact C-N 3.28Å; L59-L61 PolarHBondContact O-N 3.26Å; L61-Y63 VanDerWaalsContact C-N 3.32Å; L61-Y63 PolarHBondContact O-N 3.14Å; L61-L64 PolarHBondContact O-N 2.72Å; L61-K65 WeakPolarHBondContact O-CG 3.28Å; L61-K65 PolarHBondContact O-N 3.22Å; L61-I100 HydrophobicContact CD1-CD1 3.61Å; L61-I100 HydrophobicContact CG-CD1 4.17Å |
| 62 | S | 93 | Very high | 89.4 | Confident | 29 Ų | 29 | 48.6 Ų | 48.6 | 20% | 0.203 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.1 | -38 | 175.9 | 77 | 0 | 0 | 0 | 0 | 111.7 | D20 P58 L59 I60 L64 K65 Y66 | D20-S62 WeakPolarHBondContact OD1-CB 3.16Å; D20-S62 PolarHBondContact OD1-OG 3.4Å; P58-S62 PolarHBondContact O-N 2.66Å; L59-S62 PolarHBondContact O-N 2.79Å; L59-S62 PolarHBondContact O-OG 2.89Å; I60-S62 VanDerWaalsContact C-N 3.35Å; S62-L64 PolarHBondContact O-N 3.04Å; S62-K65 PolarHBondContact O-N 2.96Å; S62-Y66 WeakPolarHBondContact O-CB 3.34Å; S62-Y66 PolarHBondContact O-N 3.38Å |
| 63 | Y | 93 | Very high | 89.4 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.5 | -43.1 | 172.2 | -58.8 | -21.6 | 0 | 0 | 0 | 112.5 | A13 W18 W23 L59 I60 L61 Y66 A67 | A13-Y63 HydrophobicContact CB-CE2 3.99Å; A13-Y63 PolarHBondContact O-OH 3.48Å; A13-Y63 VanDerWaalsContact O-OH 3.06Å; W18-Y63 PolarHBondContact N-OH 3.23Å; W18-Y63 WeakPolarHBondContact O-CE1 3.38Å; W18-Y63 PolarHBondContact O-OH 2.88Å; W23-Y63 HydrophobicContact CB-CD1 3.95Å; W23-Y63 HydrophobicContact CB-CE1 3.71Å; W23-Y63 AromaticContact CD1-CD2 3.89Å; W23-Y63 AromaticContact CD1-CE2 3.92Å; W23-Y63 AromaticContact CD2-CD1 3.79Å; W23-Y63 HydrophobicContact CD2-CD1 3.79Å; W23-Y63 HydrophobicContact CD2-CD2 4.13Å; W23-Y63 HydrophobicContact CD2-CE1 4.41Å; W23-Y63 AromaticContact CD2-CG 3.63Å; W23-Y63 HydrophobicContact CD2-CG 3.63Å; W23-Y63 AromaticContact CE2-CG 3.83Å; W23-Y63 AromaticContact CE3-CD1 4Å; W23-Y63 HydrophobicContact CE3-CD1 4Å; W23-Y63 HydrophobicContact CE3-CG 4.02Å; W23-Y63 AromaticContact CG-CD1 3.77Å; W23-Y63 HydrophobicContact CG-CD1 3.77Å; W23-Y63 HydrophobicContact CG-CD2 4.05Å; W23-Y63 AromaticContact CG-CE1 3.9Å; W23-Y63 HydrophobicContact CG-CE1 3.9Å; W23-Y63 HydrophobicContact CG-CE2 4.16Å; W23-Y63 AromaticContact CG-CG 3.85Å; W23-Y63 HydrophobicContact CG-CG 3.85Å; W23-Y63 WeakPolarHBondContact CH2-O 2.99Å; W23-Y63 HydrophobicContact CZ2-CG 4.35Å; W23-Y63 VanDerWaalsContact CZ3-O 3.24Å; W23-Y63 WeakPolarHBondContact CZ3-O 3.49Å; W23-Y63 AromaticContact NE1-CD2 3.83Å; L59-Y63 HydrophobicContact CD1-CE1 3.83Å; L59-Y63 HydrophobicContact CG-CE1 4.18Å; L59-Y63 HydrophobicContact CG-CE2 4.16Å; L59-Y63 WeakPolarHBondContact O-CD1 3.35Å; L59-Y63 PolarHBondContact O-N 3.27Å; I60-Y63 WeakPolarHBondContact O-CB 3.39Å; I60-Y63 PolarHBondContact O-N 2.93Å; L61-Y63 VanDerWaalsContact C-N 3.32Å; L61-Y63 PolarHBondContact O-N 3.14Å; Y63-Y66 PolarHBondContact O-N 2.94Å; Y63-A67 WeakPolarHBondContact O-CB 3.5Å; Y63-A67 PolarHBondContact O-N 3.26Å |
| 64 | L | 91.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.1 | -45.4 | 175.4 | -179.1 | 59.9 | 0 | 0 | 0 | 111.7 | A43 L46 M47 I60 L61 S62 Y66 A67 I68 I100 | A43-L64 HydrophobicContact CB-CD1 4.45Å; L46-L64 HydrophobicContact CB-CB 4.36Å; L46-L64 HydrophobicContact CB-CD1 4.33Å; L46-L64 HydrophobicContact CD1-CB 4.44Å; L46-L64 HydrophobicContact CD1-CD1 4.26Å; M47-L64 HydrophobicContact CE-CD2 4.05Å; I60-L64 PolarHBondContact O-N 3.4Å; I60-L64 VanDerWaalsContact O-N 3.12Å; L61-L64 PolarHBondContact O-N 2.72Å; S62-L64 PolarHBondContact O-N 3.04Å; L64-Y66 VanDerWaalsContact C-N 3.28Å; L64-Y66 PolarHBondContact O-N 3.16Å; L64-A67 PolarHBondContact O-N 3.26Å; L64-I68 HydrophobicContact CD1-CD1 4.31Å; L64-I68 HydrophobicContact CD1-CG1 4.45Å; L64-I68 HydrophobicContact CG-CD1 4.12Å; L64-I68 VanDerWaalsContact O-CG1 3.28Å; L64-I68 WeakPolarHBondContact O-CG1 3.32Å; L64-I68 PolarHBondContact O-N 3.24Å; L64-I100 HydrophobicContact CD2-CD1 3.75Å |
| 65 | K | 92.8 | Very high | 89.9 | Confident | 68 Ų | 68 | 40.5 Ų | 40.5 | 30% | 0.296 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -59.1 | -40.3 | 175.6 | -70.2 | -176.8 | 178 | -174.7 | 0 | 111.4 | L61 S62 S69 M103 | L61-K65 WeakPolarHBondContact O-CG 3.28Å; L61-K65 PolarHBondContact O-N 3.22Å; S62-K65 PolarHBondContact O-N 2.96Å; K65-S69 WeakPolarHBondContact O-CB 3.31Å; K65-S69 PolarHBondContact O-N 3.11Å; K65-S69 PolarHBondContact O-OG 2.77Å; K65-M103 HydrophobicContact CB-CE 4.05Å; K65-M103 HydrophobicContact CB-SD 4.08Å; K65-M103 HydrophobicContact CD-SD 4.25Å; K65-M103 HydrophobicContact CG-CE 4.36Å; K65-M103 HydrophobicContact CG-SD 3.71Å |
| 66 | Y | 91.3 | Very high | 90 | Very high | 74 Ų | 74 | 38.5 Ų | 38.5 | 29% | 0.29 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -65.9 | -45.2 | 174.8 | -172.1 | -87.8 | 0 | 0 | 0 | 111.6 | D20 W23 A24 S62 Y63 L64 I68 S69 S70 M72 | D20-Y66 HydrophobicContact CB-CD2 3.57Å; D20-Y66 HydrophobicContact CB-CE2 4.18Å; D20-Y66 HydrophobicContact CB-CG 3.84Å; W23-Y66 HydrophobicContact CE3-CD1 4.49Å; W23-Y66 HydrophobicContact CZ3-CD1 4.21Å; A24-Y66 HydrophobicContact CB-CD1 3.99Å; A24-Y66 HydrophobicContact CB-CE1 3.41Å; A24-Y66 VanDerWaalsContact CB-CE1 3.41Å; S62-Y66 WeakPolarHBondContact O-CB 3.34Å; S62-Y66 PolarHBondContact O-N 3.38Å; Y63-Y66 PolarHBondContact O-N 2.94Å; L64-Y66 VanDerWaalsContact C-N 3.28Å; L64-Y66 PolarHBondContact O-N 3.16Å; Y66-I68 VanDerWaalsContact C-N 3.3Å; Y66-I68 PolarHBondContact O-N 2.63Å; Y66-S69 PolarHBondContact O-N 3.26Å; Y66-S70 WeakPolarHBondContact O-CB 3.47Å; Y66-S70 PolarHBondContact O-N 2.94Å; Y66-S70 PolarHBondContact O-OG 2.96Å; Y66-M72 HydrophobicContact CD1-SD 4.42Å; Y66-M72 HydrophobicContact CE1-SD 4.37Å |
| 67 | A | 89.6 | Confident | 89.9 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.7 | -40.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | W23 F42 Y63 L64 S70 Q71 M72 V73 | W23-A67 HydrophobicContact CH2-CB 4.09Å; W23-A67 HydrophobicContact CZ3-CB 4.4Å; F42-A67 HydrophobicContact CE1-CB 4.41Å; Y63-A67 WeakPolarHBondContact O-CB 3.5Å; Y63-A67 PolarHBondContact O-N 3.26Å; L64-A67 PolarHBondContact O-N 3.26Å; A67-S70 PolarHBondContact O-OG 3.33Å; A67-Q71 PolarHBondContact O-N 3.33Å; A67-M72 HydrophobicContact CB-CB 4.17Å; A67-M72 PolarHBondContact O-N 2.91Å; A67-V73 HydrophobicContact CB-CG1 4.37Å; A67-V73 HydrophobicContact CB-CG2 4.06Å |
| 68 | I | 89.3 | Confident | 89.8 | Confident | 6 Ų | 6 | 37.1 Ų | 37.1 | 3% | 0.031 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.1 | -49.6 | 174.8 | -66.3 | 166.5 | 0 | 0 | 0 | 110.4 | L64 Y66 S70 Q71 V73 Y75 V78 I100 M103 F104 | L64-I68 HydrophobicContact CD1-CD1 4.31Å; L64-I68 HydrophobicContact CD1-CG1 4.45Å; L64-I68 HydrophobicContact CG-CD1 4.12Å; L64-I68 VanDerWaalsContact O-CG1 3.28Å; L64-I68 WeakPolarHBondContact O-CG1 3.32Å; L64-I68 PolarHBondContact O-N 3.24Å; Y66-I68 VanDerWaalsContact C-N 3.3Å; Y66-I68 PolarHBondContact O-N 2.63Å; I68-S70 VanDerWaalsContact C-N 3.29Å; I68-S70 PolarHBondContact O-N 3.12Å; I68-Q71 PolarHBondContact O-N 3.22Å; I68-V73 HydrophobicContact CG1-CG2 3.97Å; I68-Y75 HydrophobicContact CG2-CE1 4.23Å; I68-V78 HydrophobicContact CD1-CG1 3.97Å; I68-V78 HydrophobicContact CD1-CG2 4.2Å; I68-V78 HydrophobicContact CG1-CG2 3.88Å; I68-I100 HydrophobicContact CD1-CG2 3.64Å; I68-M103 HydrophobicContact CG2-CE 4.47Å; I68-F104 HydrophobicContact CD1-CE1 4.36Å; I68-F104 HydrophobicContact CG2-CD1 3.97Å |
| 69 | S | 88.8 | Confident | 90 | Very high | 87 Ų | 87 | 32.3 Ų | 32.3 | 61% | 0.608 | 18% | 0.176 | S | C | * | . | H | α-helix | trans | -67 | -30.5 | -175.6 | -55.9 | 0 | 0 | 0 | 0 | 113 | K65 Y66 M103 | K65-S69 WeakPolarHBondContact O-CB 3.31Å; K65-S69 PolarHBondContact O-N 3.11Å; K65-S69 PolarHBondContact O-OG 2.77Å; Y66-S69 PolarHBondContact O-N 3.26Å; S69-M103 WeakPolarHBondContact OG-CE 3.32Å |
| 70 | S | 87.2 | Confident | 90 | Very high | 50 Ų | 50 | 32.5 Ų | 32.5 | 35% | 0.35 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | 5.1 | 177.7 | 57.5 | 0 | 0 | 0 | 0 | 113.7 | Y66 A67 I68 M72 | Y66-S70 WeakPolarHBondContact O-CB 3.47Å; Y66-S70 PolarHBondContact O-N 2.94Å; Y66-S70 PolarHBondContact O-OG 2.96Å; A67-S70 PolarHBondContact O-OG 3.33Å; I68-S70 VanDerWaalsContact C-N 3.29Å; I68-S70 PolarHBondContact O-N 3.12Å; S70-M72 PolarHBondContact O-N 2.89Å; S70-M72 VanDerWaalsContact O-N 3.17Å; S70-M72 VanDerWaalsContact OG-CG 3.27Å; S70-M72 WeakPolarHBondContact OG-CG 3.47Å; S70-M72 PolarHBondContact OG-SD 3.43Å; S70-M72 VanDerWaalsContact OG-SD 3.39Å |
| 71 | Q | 83.1 | Confident | 90 | Very high | 153 Ų | 153 | 32.7 Ų | 32.7 | 72% | 0.715 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.9 | 30.2 | -176.5 | -57.6 | -178.9 | -3.3 | 0 | 0 | 113.2 | A67 I68 V73 | A67-Q71 PolarHBondContact O-N 3.33Å; I68-Q71 PolarHBondContact O-N 3.22Å; Q71-V73 PolarHBondContact O-N 3.26Å |
| 72 | M | 83.9 | Confident | 90.2 | Very high | 18 Ų | 18 | 32 Ų | 32 | 9% | 0.089 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -73.7 | -14.9 | 170.8 | -69.4 | 174.3 | 70.2 | 0 | 0 | 112 | A24 I27 W37 Y66 A67 S70 | A24-M72 HydrophobicContact CB-CE 4.49Å; A24-M72 HydrophobicContact CB-SD 4.15Å; I27-M72 HydrophobicContact CG2-CE 3.89Å; W37-M72 WeakPolarHBondContact CB-O 3.43Å; W37-M72 HydrophobicContact CD2-CB 4.43Å; W37-M72 HydrophobicContact CD2-CE 4.42Å; W37-M72 HydrophobicContact CE3-CE 3.98Å; W37-M72 HydrophobicContact CH2-CE 3.31Å; W37-M72 HydrophobicContact CZ2-CE 3.81Å; W37-M72 HydrophobicContact CZ3-CE 3.38Å; Y66-M72 HydrophobicContact CD1-SD 4.42Å; Y66-M72 HydrophobicContact CE1-SD 4.37Å; A67-M72 HydrophobicContact CB-CB 4.17Å; A67-M72 PolarHBondContact O-N 2.91Å; S70-M72 PolarHBondContact O-N 2.89Å; S70-M72 VanDerWaalsContact O-N 3.17Å; S70-M72 VanDerWaalsContact OG-CG 3.27Å; S70-M72 WeakPolarHBondContact OG-CG 3.47Å; S70-M72 PolarHBondContact OG-SD 3.43Å; S70-M72 VanDerWaalsContact OG-SD 3.39Å |
| 73 | V | 87 | Confident | 90.2 | Very high | 7 Ų | 7 | 32.2 Ų | 32.2 | 4% | 0.042 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -133.6 | 144.3 | 173.8 | -69.4 | 0 | 0 | 0 | 0 | 108.9 | F42 A43 A67 I68 Q71 V78 | F42-V73 HydrophobicContact CB-CG1 4.24Å; F42-V73 HydrophobicContact CD1-CG1 3.61Å; F42-V73 HydrophobicContact CG-CG1 4.4Å; A43-V73 HydrophobicContact CB-CB 4.41Å; A43-V73 HydrophobicContact CB-CG1 4.2Å; A67-V73 HydrophobicContact CB-CG1 4.37Å; A67-V73 HydrophobicContact CB-CG2 4.06Å; I68-V73 HydrophobicContact CG1-CG2 3.97Å; Q71-V73 PolarHBondContact O-N 3.26Å; V73-V78 HydrophobicContact CB-CG2 4.29Å; V73-V78 HydrophobicContact CG2-CG2 3.61Å |
| 74 | S | 86.9 | Confident | 90.2 | Very high | 40 Ų | 40 | 37.7 Ų | 37.7 | 28% | 0.28 | 20% | 0.202 | S | C | . | . | trans | -73.7 | 152 | 172.4 | 63.1 | 0 | 0 | 0 | 0 | 111.6 | D38 S76 S77 V78 | D38-S74 PolarHBondContact OD1-N 3.06Å; D38-S74 PolarHBondContact OD1-OG 3.47Å; D38-S74 WeakPolarHBondContact OD2-CB 3.38Å; D38-S74 PolarHBondContact OD2-OG 3.17Å; S74-S76 PolarHBondContact O-N 3.19Å; S74-S77 PolarHBondContact O-N 3.26Å; S74-S77 VanDerWaalsContact O-N 3.11Å; S74-S77 PolarHBondContact O-OG 3.49Å; S74-S77 PolarHBondContact OG-N 3.44Å; S74-V78 WeakPolarHBondContact O-CG2 3.48Å; S74-V78 PolarHBondContact O-N 2.85Å | ||
| 75 | Y | 89.5 | Confident | 90.3 | Very high | 41 Ų | 41 | 38.5 Ų | 38.5 | 16% | 0.161 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -57.7 | -33.6 | 172.4 | -56.6 | -47.5 | 0 | 0 | 0 | 112.3 | I68 V78 L79 F104 R107 L108 | I68-Y75 HydrophobicContact CG2-CE1 4.23Å; Y75-V78 PolarHBondContact O-N 3.06Å; Y75-L79 WeakPolarHBondContact O-CB 3.14Å; Y75-L79 VanDerWaalsContact O-CG 3.28Å; Y75-L79 WeakPolarHBondContact O-CG 3.49Å; Y75-L79 PolarHBondContact O-N 3.07Å; Y75-F104 HydrophobicContact CD1-CB 3.65Å; Y75-F104 HydrophobicContact CD1-CD1 4.2Å; Y75-F104 AromaticContact CD1-CD2 3.53Å; Y75-F104 HydrophobicContact CD1-CD2 3.53Å; Y75-F104 HydrophobicContact CD1-CE2 4.2Å; Y75-F104 AromaticContact CD1-CG 3.53Å; Y75-F104 HydrophobicContact CD1-CG 3.53Å; Y75-F104 HydrophobicContact CE1-CB 3.37Å; Y75-F104 HydrophobicContact CE1-CD1 4.47Å; Y75-F104 HydrophobicContact CE1-CD2 4.19Å; Y75-F104 AromaticContact CE1-CG 3.79Å; Y75-F104 HydrophobicContact CE1-CG 3.79Å; Y75-F104 HydrophobicContact CG-CB 4.48Å; Y75-F104 AromaticContact CG-CD2 3.88Å; Y75-F104 HydrophobicContact CG-CD2 3.88Å; Y75-F104 HydrophobicContact CG-CE2 4.46Å; Y75-F104 HydrophobicContact CG-CG 4.32Å; Y75-R107 WeakPolarHBondContact CE2-O 3.16Å; Y75-L108 HydrophobicContact CG-CD2 4.38Å |
| 76 | S | 90.1 | Very high | 90.3 | Very high | 20 Ų | 20 | 41.8 Ų | 41.8 | 14% | 0.14 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.2 | -50.1 | 174.3 | -174 | 0 | 0 | 0 | 0 | 111.5 | S74 V78 L79 T80 G119 L120 A123 | S74-S76 PolarHBondContact O-N 3.19Å; S76-V78 VanDerWaalsContact C-N 3.29Å; S76-V78 PolarHBondContact O-N 3.13Å; S76-L79 PolarHBondContact O-N 3.47Å; S76-T80 WeakPolarHBondContact O-CB 3.29Å; S76-T80 PolarHBondContact O-N 3.2Å; S76-T80 PolarHBondContact O-OG1 2.93Å; S76-G119 PolarHBondContact OG-O 3.41Å; S76-G119 VanDerWaalsContact OG-O 3.14Å; S76-L120 PolarHBondContact OG-N 3.36Å; S76-A123 WeakPolarHBondContact O-CB 3.27Å |
| 77 | S | 89.9 | Confident | 90.3 | Very high | 24 Ų | 24 | 38.8 Ų | 38.8 | 17% | 0.168 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.4 | -37 | -178.7 | 73.1 | 0 | 0 | 0 | 0 | 112.6 | D38 S74 A81 | D38-S77 PolarHBondContact OD1-OG 3.42Å; S74-S77 PolarHBondContact O-N 3.26Å; S74-S77 VanDerWaalsContact O-N 3.11Å; S74-S77 PolarHBondContact O-OG 3.49Å; S74-S77 PolarHBondContact OG-N 3.44Å; S77-A81 WeakPolarHBondContact O-CB 3.29Å; S77-A81 PolarHBondContact O-N 3.14Å |
| 78 | V | 92.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -68.8 | -49 | 177.9 | 179.5 | 0 | 0 | 0 | 0 | 110.5 | A43 I68 V73 S74 Y75 S76 T80 A81 I82 I100 F104 | A43-V78 HydrophobicContact CB-CG2 4.04Å; I68-V78 HydrophobicContact CD1-CG1 3.97Å; I68-V78 HydrophobicContact CD1-CG2 4.2Å; I68-V78 HydrophobicContact CG1-CG2 3.88Å; V73-V78 HydrophobicContact CB-CG2 4.29Å; V73-V78 HydrophobicContact CG2-CG2 3.61Å; S74-V78 WeakPolarHBondContact O-CG2 3.48Å; S74-V78 PolarHBondContact O-N 2.85Å; Y75-V78 PolarHBondContact O-N 3.06Å; S76-V78 VanDerWaalsContact C-N 3.29Å; S76-V78 PolarHBondContact O-N 3.13Å; V78-T80 VanDerWaalsContact C-N 3.33Å; V78-T80 PolarHBondContact O-N 2.96Å; V78-A81 WeakPolarHBondContact O-CB 3.39Å; V78-A81 PolarHBondContact O-N 3.49Å; V78-A81 VanDerWaalsContact O-N 3.14Å; V78-I82 HydrophobicContact CG1-CD1 4.26Å; V78-I82 WeakPolarHBondContact O-CG1 3.4Å; V78-I82 PolarHBondContact O-N 3.18Å; V78-I100 HydrophobicContact CG1-CG2 4.05Å; V78-F104 HydrophobicContact CB-CZ 4.28Å; V78-F104 HydrophobicContact CG1-CE1 3.83Å; V78-F104 HydrophobicContact CG1-CZ 3.81Å |
| 79 | L | 93.5 | Very high | 90.6 | Very high | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.6 | -43.3 | 177.1 | -71.7 | 173.5 | 0 | 0 | 0 | 111.4 | Y75 S76 A81 I82 S83 F104 L108 L120 A123 V127 | Y75-L79 WeakPolarHBondContact O-CB 3.14Å; Y75-L79 VanDerWaalsContact O-CG 3.28Å; Y75-L79 WeakPolarHBondContact O-CG 3.49Å; Y75-L79 PolarHBondContact O-N 3.07Å; S76-L79 PolarHBondContact O-N 3.47Å; L79-A81 VanDerWaalsContact C-N 3.34Å; L79-A81 PolarHBondContact O-N 3.49Å; L79-I82 PolarHBondContact O-N 2.98Å; L79-S83 PolarHBondContact O-N 2.77Å; L79-S83 PolarHBondContact O-OG 3.5Å; L79-F104 HydrophobicContact CD1-CE2 4.37Å; L79-F104 HydrophobicContact CD2-CE2 3.8Å; L79-F104 HydrophobicContact CD2-CZ 3.96Å; L79-F104 HydrophobicContact CG-CE2 3.88Å; L79-F104 HydrophobicContact CG-CZ 4.19Å; L79-L108 HydrophobicContact CD1-CD2 3.92Å; L79-L120 HydrophobicContact CD1-CD1 4.14Å; L79-A123 HydrophobicContact CB-CB 3.85Å; L79-V127 HydrophobicContact CB-CG2 3.68Å; L79-V127 HydrophobicContact CD2-CB 4.17Å; L79-V127 HydrophobicContact CD2-CG1 4.11Å; L79-V127 HydrophobicContact CD2-CG2 3.71Å; L79-V127 HydrophobicContact CG-CG2 4.27Å; L79-V127 WeakPolarHBondContact O-CG2 3.31Å |
| 80 | T | 92.9 | Very high | 90.8 | Very high | 48 Ų | 48 | 42.7 Ų | 42.7 | 29% | 0.294 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -59.3 | -44.5 | 174.2 | -60.4 | 0 | 0 | 0 | 0 | 111.6 | S76 V78 I82 S83 K84 A123 | S76-T80 WeakPolarHBondContact O-CB 3.29Å; S76-T80 PolarHBondContact O-N 3.2Å; S76-T80 PolarHBondContact O-OG1 2.93Å; V78-T80 VanDerWaalsContact C-N 3.33Å; V78-T80 PolarHBondContact O-N 2.96Å; T80-I82 PolarHBondContact O-N 2.68Å; T80-S83 WeakPolarHBondContact CA-OG 3.42Å; T80-S83 PolarHBondContact O-N 3.48Å; T80-S83 PolarHBondContact O-OG 3.35Å; T80-K84 PolarHBondContact O-N 3.41Å; T80-A123 WeakPolarHBondContact OG1-CB 3.31Å |
| 81 | A | 93.1 | Very high | 90.9 | Very high | 6 Ų | 6 | 43 Ų | 43 | 5% | 0.05 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.8 | -43 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A43 E44 M47 S77 V78 L79 S83 K84 | A43-A81 HydrophobicContact CB-CB 4.49Å; E44-A81 HydrophobicContact CB-CB 4.17Å; M47-A81 HydrophobicContact CB-CB 4.35Å; M47-A81 HydrophobicContact CE-CB 3.78Å; M47-A81 HydrophobicContact SD-CB 3.69Å; M47-A81 VanDerWaalsContact SD-O 3.32Å; S77-A81 WeakPolarHBondContact O-CB 3.29Å; S77-A81 PolarHBondContact O-N 3.14Å; V78-A81 WeakPolarHBondContact O-CB 3.39Å; V78-A81 PolarHBondContact O-N 3.49Å; V78-A81 VanDerWaalsContact O-N 3.14Å; L79-A81 VanDerWaalsContact C-N 3.34Å; L79-A81 PolarHBondContact O-N 3.49Å; A81-S83 PolarHBondContact O-N 2.89Å; A81-K84 PolarHBondContact O-N 2.78Å |
| 82 | I | 94.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.3 | -48 | 176.6 | -64.6 | 177 | 0 | 0 | 0 | 110.4 | M47 V78 L79 T80 K84 F85 L97 I100 M101 V127 W130 | M47-I82 HydrophobicContact CE-CB 4.43Å; M47-I82 HydrophobicContact CE-CD1 4.49Å; M47-I82 HydrophobicContact CE-CG1 3.45Å; M47-I82 VanDerWaalsContact CE-CG1 3.45Å; M47-I82 HydrophobicContact SD-CG1 4.15Å; M47-I82 PolarHBondContact SD-N 2.84Å; V78-I82 HydrophobicContact CG1-CD1 4.26Å; V78-I82 WeakPolarHBondContact O-CG1 3.4Å; V78-I82 PolarHBondContact O-N 3.18Å; L79-I82 PolarHBondContact O-N 2.98Å; T80-I82 PolarHBondContact O-N 2.68Å; I82-K84 PolarHBondContact O-N 3.25Å; I82-F85 WeakPolarHBondContact O-CB 3.5Å; I82-F85 PolarHBondContact O-N 2.83Å; I82-L97 HydrophobicContact CG1-CD2 4.27Å; I82-I100 HydrophobicContact CD1-CG2 4.39Å; I82-M101 HydrophobicContact CD1-CG 3.39Å; I82-M101 HydrophobicContact CD1-SD 4.11Å; I82-M101 HydrophobicContact CG2-SD 4.29Å; I82-V127 HydrophobicContact CB-CG2 4.35Å; I82-V127 HydrophobicContact CG2-CG2 4.48Å; I82-W130 HydrophobicContact CG2-CD2 3.99Å; I82-W130 HydrophobicContact CG2-CE3 3.8Å; I82-W130 HydrophobicContact CG2-CH2 4.12Å; I82-W130 HydrophobicContact CG2-CZ2 4.29Å; I82-W130 HydrophobicContact CG2-CZ3 3.87Å |
| 83 | S | 93.9 | Very high | 91.7 | Very high | 32 Ų | 32 | 39.8 Ų | 39.8 | 22% | 0.224 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.8 | -15.9 | -176.6 | 66.4 | 0 | 0 | 0 | 0 | 114.8 | L79 T80 A81 | L79-S83 PolarHBondContact O-N 2.77Å; L79-S83 PolarHBondContact O-OG 3.5Å; T80-S83 WeakPolarHBondContact CA-OG 3.42Å; T80-S83 PolarHBondContact O-N 3.48Å; T80-S83 PolarHBondContact O-OG 3.35Å; A81-S83 PolarHBondContact O-N 2.89Å |
| 84 | K | 93.3 | Very high | 92 | Very high | 115 Ų | 115 | 39.5 Ų | 39.5 | 50% | 0.5 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -11.5 | 177.3 | -71.5 | 176.3 | 173.9 | -175.4 | 0 | 113.7 | E44 T80 A81 I82 D86 | E44-K84 WeakPolarHBondContact OE1-CD 3.35Å; E44-K84 IonicContact OE1-NZ 2.75Å; E44-K84 PolarHBondContact OE1-NZ 3.49Å; E44-K84 IonicContact OE2-NZ 2.95Å; E44-K84 PolarHBondContact OE2-NZ 3.19Å; T80-K84 PolarHBondContact O-N 3.41Å; A81-K84 PolarHBondContact O-N 2.78Å; I82-K84 PolarHBondContact O-N 3.25Å; K84-D86 PolarHBondContact O-N 3.1Å |
| 85 | F | 93.9 | Very high | 92.3 | Very high | 18 Ų | 18 | 43 Ų | 43 | 8% | 0.079 | 23% | 0.225 | C | C | . | . | trans | -78.6 | 119.2 | 179.8 | -179.3 | -90.4 | 0 | 0 | 0 | 110.7 | M51 I82 G87 R90 C93 V94 L97 W130 | M51-F85 HydrophobicContact CB-CD2 4.41Å; M51-F85 HydrophobicContact CB-CE2 4.15Å; M51-F85 HydrophobicContact CG-CD2 4.41Å; M51-F85 HydrophobicContact CG-CE2 4.34Å; I82-F85 WeakPolarHBondContact O-CB 3.5Å; I82-F85 PolarHBondContact O-N 2.83Å; F85-G87 VanDerWaalsContact CE1-C 3.46Å; F85-G87 VanDerWaalsContact CE1-O 3.24Å; F85-G87 WeakPolarHBondContact CE1-O 3.33Å; F85-G87 WeakPolarHBondContact CZ-O 3.46Å; F85-R90 HydrophobicContact CZ-CB 4.41Å; F85-C93 HydrophobicContact CE2-CB 4.08Å; F85-C93 HydrophobicContact CZ-CB 3.66Å; F85-V94 HydrophobicContact CE1-CG2 3.78Å; F85-L97 HydrophobicContact CB-CD1 3.9Å; F85-L97 HydrophobicContact CD1-CD1 3.74Å; F85-L97 HydrophobicContact CD2-CD1 4.1Å; F85-L97 HydrophobicContact CE1-CD1 4.28Å; F85-L97 HydrophobicContact CG-CD1 3.65Å; F85-W130 HydrophobicContact CD1-CZ2 4.12Å; F85-W130 VanDerWaalsContact O-CD1 3.24Å; F85-W130 PolarHBondContact O-NE1 3.1Å | ||
| 86 | D | 91.4 | Very high | 92.5 | Very high | 136 Ų | 136 | 41.9 Ų | 41.9 | 73% | 0.727 | 22% | 0.223 | S | C | * | . | trans | -107.6 | -9.3 | -176.8 | 59.1 | -7 | 0 | 0 | 0 | 114 | K84 F88 | K84-D86 PolarHBondContact O-N 3.1Å; D86-F88 VanDerWaalsContact C-N 3.3Å; D86-F88 WeakPolarHBondContact O-CD2 3.46Å; D86-F88 PolarHBondContact O-N 3.36Å | ||
| 87 | G | 92.1 | Very high | 92.7 | Very high | 12 Ų | 12 | 40.9 Ų | 40.9 | 12% | 0.124 | 22% | 0.216 | C | C | . | . | trans | -79.9 | 58.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | F85 S89 R90 | F85-G87 VanDerWaalsContact CE1-C 3.46Å; F85-G87 VanDerWaalsContact CE1-O 3.24Å; F85-G87 WeakPolarHBondContact CE1-O 3.33Å; F85-G87 WeakPolarHBondContact CZ-O 3.46Å; G87-S89 PolarHBondContact O-N 3.28Å; G87-S89 VanDerWaalsContact O-N 3.15Å; G87-R90 WeakPolarHBondContact O-CB 3.49Å; G87-R90 PolarHBondContact O-N 2.93Å | ||
| 88 | F | 93.6 | Very high | 92.9 | Very high | 16 Ų | 16 | 39.9 Ų | 39.9 | 7% | 0.07 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -21.5 | -177.8 | -69.5 | -77.4 | 0 | 0 | 0 | 114.8 | D86 R90 V94 W130 Q133 F137 Y138 | D86-F88 VanDerWaalsContact C-N 3.3Å; D86-F88 WeakPolarHBondContact O-CD2 3.46Å; D86-F88 PolarHBondContact O-N 3.36Å; F88-R90 PolarHBondContact O-N 3.42Å; F88-V94 HydrophobicContact CD1-CG2 4.18Å; F88-W130 HydrophobicContact CE1-CD2 4.34Å; F88-W130 AromaticContact CE1-CE2 3.77Å; F88-W130 AromaticContact CE1-CZ2 3.97Å; F88-W130 HydrophobicContact CE1-CZ2 3.97Å; F88-W130 AromaticContact CE1-NE1 3.79Å; F88-W130 AromaticContact CZ-CD1 3.68Å; F88-W130 HydrophobicContact CZ-CD2 4.31Å; F88-W130 AromaticContact CZ-CE2 3.87Å; F88-W130 HydrophobicContact CZ-CG 4.2Å; F88-W130 HydrophobicContact CZ-CZ2 4.5Å; F88-W130 AromaticContact CZ-NE1 3.44Å; F88-W130 WeakPolarHBondContact CZ-O 3.18Å; F88-Q133 HydrophobicContact CE2-CB 4.01Å; F88-Q133 HydrophobicContact CZ-CB 3.96Å; F88-F137 HydrophobicContact CB-CB 4.28Å; F88-F137 HydrophobicContact CB-CD1 3.5Å; F88-F137 HydrophobicContact CB-CD2 4.14Å; F88-F137 HydrophobicContact CB-CE1 3.8Å; F88-F137 HydrophobicContact CB-CE2 4.39Å; F88-F137 HydrophobicContact CB-CG 3.69Å; F88-F137 HydrophobicContact CB-CZ 4.24Å; F88-F137 HydrophobicContact CG-CB 4.44Å; F88-F137 HydrophobicContact CG-CD1 4.46Å; F88-F137 HydrophobicContact CG-CG 4.34Å; F88-Y138 HydrophobicContact CD1-CE2 4.47Å; F88-Y138 PolarHBondContact O-OH 3.1Å |
| 89 | S | 91 | Very high | 93 | Very high | 86 Ų | 86 | 43.7 Ų | 43.7 | 60% | 0.601 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64 | -18.6 | 171.5 | 58.4 | 0 | 0 | 0 | 0 | 113.7 | G87 E91 | G87-S89 PolarHBondContact O-N 3.28Å; G87-S89 VanDerWaalsContact O-N 3.15Å; S89-E91 PolarHBondContact O-N 3Å |
| 90 | R | 92.9 | Very high | 93 | Very high | 72 Ų | 72 | 43.6 Ų | 43.6 | 27% | 0.272 | 23% | 0.226 | S | C | . | . | trans | -90.8 | 75.6 | 176.8 | -62.7 | -178.9 | -70.6 | 175.9 | -6.1 | 110.7 | M51 F85 G87 F88 L92 C93 V94 | M51-R90 PolarHBondContact O-NH1 3.29Å; F85-R90 HydrophobicContact CZ-CB 4.41Å; G87-R90 WeakPolarHBondContact O-CB 3.49Å; G87-R90 PolarHBondContact O-N 2.93Å; F88-R90 PolarHBondContact O-N 3.42Å; R90-L92 VanDerWaalsContact C-N 3.32Å; R90-L92 PolarHBondContact O-N 3.06Å; R90-C93 HydrophobicContact CB-CB 4.03Å; R90-C93 WeakPolarHBondContact O-CB 3.28Å; R90-C93 PolarHBondContact O-N 2.97Å; R90-V94 PolarHBondContact O-N 2.97Å; R90-V94 VanDerWaalsContact O-N 3.12Å | ||
| 91 | E | 90.1 | Very high | 92.9 | Very high | 57 Ų | 57 | 41.4 Ų | 41.4 | 27% | 0.266 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -48.2 | -44.4 | -175.4 | -70.9 | -172.8 | -171.8 | 0 | 0 | 114.8 | S89 C93 V94 K95 I154 | S89-E91 PolarHBondContact O-N 3Å; E91-C93 VanDerWaalsContact C-N 3.32Å; E91-C93 PolarHBondContact O-N 3.09Å; E91-V94 PolarHBondContact O-N 3.42Å; E91-K95 WeakPolarHBondContact O-CB 3.38Å; E91-K95 PolarHBondContact O-N 2.71Å; E91-I154 HydrophobicContact CB-CD1 3.39Å; E91-I154 VanDerWaalsContact CD-CD1 3.45Å; E91-I154 HydrophobicContact CG-CD1 3.36Å; E91-I154 WeakPolarHBondContact OE2-CD1 3.25Å |
| 92 | L | 90.4 | Very high | 92.8 | Very high | 104 Ų | 104 | 43.9 Ų | 43.9 | 55% | 0.545 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -67.4 | -32.2 | 180 | -65.5 | 176.3 | 0 | 0 | 0 | 113 | R90 S96 | R90-L92 VanDerWaalsContact C-N 3.32Å; R90-L92 PolarHBondContact O-N 3.06Å; L92-S96 WeakPolarHBondContact O-CB 3.42Å; L92-S96 PolarHBondContact O-N 3.25Å; L92-S96 VanDerWaalsContact O-N 3.13Å; L92-S96 PolarHBondContact O-OG 3Å |
| 93 | C | 93.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -70.2 | -47.9 | 174.9 | -64.5 | 0 | 0 | 0 | 0 | 110.1 | M51 F85 R90 E91 K95 S96 L97 | M51-C93 HydrophobicContact SD-CB 3.7Å; F85-C93 HydrophobicContact CE2-CB 4.08Å; F85-C93 HydrophobicContact CZ-CB 3.66Å; R90-C93 HydrophobicContact CB-CB 4.03Å; R90-C93 WeakPolarHBondContact O-CB 3.28Å; R90-C93 PolarHBondContact O-N 2.97Å; E91-C93 VanDerWaalsContact C-N 3.32Å; E91-C93 PolarHBondContact O-N 3.09Å; C93-K95 PolarHBondContact O-N 3.39Å; C93-S96 PolarHBondContact O-N 3.12Å; C93-L97 WeakPolarHBondContact O-CG 3.45Å; C93-L97 PolarHBondContact O-N 3.22Å |
| 94 | V | 94.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -57.9 | -48 | 176.6 | 177.1 | 0 | 0 | 0 | 0 | 110.7 | F85 F88 R90 E91 S96 L97 L98 W130 Y138 I154 | F85-V94 HydrophobicContact CE1-CG2 3.78Å; F88-V94 HydrophobicContact CD1-CG2 4.18Å; R90-V94 PolarHBondContact O-N 2.97Å; R90-V94 VanDerWaalsContact O-N 3.12Å; E91-V94 PolarHBondContact O-N 3.42Å; V94-S96 VanDerWaalsContact C-N 3.31Å; V94-S96 PolarHBondContact O-N 3.31Å; V94-L97 WeakPolarHBondContact O-CB 3.48Å; V94-L97 PolarHBondContact O-N 3.35Å; V94-L97 VanDerWaalsContact O-N 3.14Å; V94-L98 HydrophobicContact CG1-CD1 4.2Å; V94-L98 HydrophobicContact CG1-CG 4.46Å; V94-L98 WeakPolarHBondContact O-CG 3.28Å; V94-L98 PolarHBondContact O-N 2.98Å; V94-W130 HydrophobicContact CG1-CH2 4.15Å; V94-Y138 HydrophobicContact CG1-CE2 4.41Å; V94-Y138 WeakPolarHBondContact CG2-OH 3.39Å; V94-I154 HydrophobicContact CG1-CG2 4.17Å |
| 95 | K | 92.8 | Very high | 91.9 | Very high | 114 Ų | 114 | 41.2 Ų | 41.2 | 50% | 0.496 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -56.4 | -44.4 | 176.5 | -174.5 | 176.5 | 177.8 | 178.5 | 0 | 112.3 | E91 C93 L97 L98 E99 | E91-K95 WeakPolarHBondContact O-CB 3.38Å; E91-K95 PolarHBondContact O-N 2.71Å; C93-K95 PolarHBondContact O-N 3.39Å; K95-L97 VanDerWaalsContact C-N 3.34Å; K95-L97 PolarHBondContact O-N 2.82Å; K95-L98 PolarHBondContact O-N 3.01Å; K95-E99 WeakPolarHBondContact CE-OE1 3.11Å; K95-E99 WeakPolarHBondContact O-CG 3.43Å; K95-E99 PolarHBondContact O-N 3.45Å |
| 96 | S | 93.4 | Very high | 91.3 | Very high | 17 Ų | 17 | 46.5 Ų | 46.5 | 12% | 0.119 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -68.6 | -31.9 | 179.4 | -60.8 | 0 | 0 | 0 | 0 | 113.1 | P56 L92 C93 V94 I100 | P56-S96 WeakPolarHBondContact CG-OG 3.36Å; L92-S96 WeakPolarHBondContact O-CB 3.42Å; L92-S96 PolarHBondContact O-N 3.25Å; L92-S96 VanDerWaalsContact O-N 3.13Å; L92-S96 PolarHBondContact O-OG 3Å; C93-S96 PolarHBondContact O-N 3.12Å; V94-S96 VanDerWaalsContact C-N 3.31Å; V94-S96 PolarHBondContact O-N 3.31Å; S96-I100 WeakPolarHBondContact O-CG1 3.35Å; S96-I100 PolarHBondContact O-N 3.32Å |
| 97 | L | 94.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -68.3 | -42.7 | 173 | -68.5 | 173.7 | 0 | 0 | 0 | 111.3 | M47 M51 I82 F85 C93 V94 K95 E99 I100 M101 W130 | M47-L97 HydrophobicContact CE-CD2 3.77Å; M47-L97 HydrophobicContact CG-CD2 4.07Å; M47-L97 HydrophobicContact SD-CD2 3.66Å; M51-L97 HydrophobicContact CE-CD2 3.63Å; M51-L97 HydrophobicContact CE-CG 3.94Å; I82-L97 HydrophobicContact CG1-CD2 4.27Å; F85-L97 HydrophobicContact CB-CD1 3.9Å; F85-L97 HydrophobicContact CD1-CD1 3.74Å; F85-L97 HydrophobicContact CD2-CD1 4.1Å; F85-L97 HydrophobicContact CE1-CD1 4.28Å; F85-L97 HydrophobicContact CG-CD1 3.65Å; C93-L97 WeakPolarHBondContact O-CG 3.45Å; C93-L97 PolarHBondContact O-N 3.22Å; V94-L97 WeakPolarHBondContact O-CB 3.48Å; V94-L97 PolarHBondContact O-N 3.35Å; V94-L97 VanDerWaalsContact O-N 3.14Å; K95-L97 VanDerWaalsContact C-N 3.34Å; K95-L97 PolarHBondContact O-N 2.82Å; L97-E99 VanDerWaalsContact C-N 3.34Å; L97-E99 PolarHBondContact O-N 3.34Å; L97-I100 WeakPolarHBondContact O-CB 3.33Å; L97-I100 PolarHBondContact O-N 3.26Å; L97-I100 VanDerWaalsContact O-N 3.16Å; L97-M101 WeakPolarHBondContact O-CG 3.47Å; L97-M101 PolarHBondContact O-N 3.13Å; L97-M101 VanDerWaalsContact O-N 3.09Å; L97-W130 HydrophobicContact CB-CH2 4.11Å; L97-W130 HydrophobicContact CD1-CH2 4.26Å; L97-W130 HydrophobicContact CD1-CZ2 3.91Å |
| 98 | L | 94.6 | Very high | 90.5 | Very high | 3 Ų | 3 | 46.1 Ų | 46.1 | 2% | 0.016 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.1 | -42.2 | 173.9 | -65 | 173.5 | 0 | 0 | 0 | 111.4 | V94 K95 I100 M101 D102 W130 L131 A157 R161 | V94-L98 HydrophobicContact CG1-CD1 4.2Å; V94-L98 HydrophobicContact CG1-CG 4.46Å; V94-L98 WeakPolarHBondContact O-CG 3.28Å; V94-L98 PolarHBondContact O-N 2.98Å; K95-L98 PolarHBondContact O-N 3.01Å; L98-I100 VanDerWaalsContact C-N 3.3Å; L98-I100 PolarHBondContact O-N 3.18Å; L98-M101 HydrophobicContact CD2-SD 4.29Å; L98-M101 WeakPolarHBondContact O-CB 3.39Å; L98-M101 PolarHBondContact O-N 3.32Å; L98-M101 VanDerWaalsContact O-N 3.12Å; L98-D102 PolarHBondContact O-N 3.25Å; L98-D102 VanDerWaalsContact O-N 3.16Å; L98-W130 HydrophobicContact CD2-CH2 4.37Å; L98-W130 HydrophobicContact CD2-CZ3 3.9Å; L98-L131 HydrophobicContact CD2-CD2 3.57Å; L98-A157 HydrophobicContact CD1-CB 3.71Å; L98-R161 HydrophobicContact CD2-CB 4.31Å; L98-R161 HydrophobicContact CD2-CG 4.25Å |
| 99 | E | 93.4 | Very high | 90 | Very high | 79 Ų | 79 | 48.4 Ų | 48.4 | 37% | 0.369 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.6 | -34.5 | 174.3 | -73.7 | 174.7 | -165.8 | 0 | 0 | 112.8 | K95 L97 D102 | K95-E99 WeakPolarHBondContact CE-OE1 3.11Å; K95-E99 WeakPolarHBondContact O-CG 3.43Å; K95-E99 PolarHBondContact O-N 3.45Å; L97-E99 VanDerWaalsContact C-N 3.34Å; L97-E99 PolarHBondContact O-N 3.34Å; E99-D102 PolarHBondContact O-N 2.98Å |
| 100 | I | 92.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.4 | -41.7 | 173 | -76.3 | 165.8 | 0 | 0 | 0 | 110.6 | L61 L64 I68 V78 I82 S96 L97 L98 D102 M103 F104 | L61-I100 HydrophobicContact CD1-CD1 3.61Å; L61-I100 HydrophobicContact CG-CD1 4.17Å; L64-I100 HydrophobicContact CD2-CD1 3.75Å; I68-I100 HydrophobicContact CD1-CG2 3.64Å; V78-I100 HydrophobicContact CG1-CG2 4.05Å; I82-I100 HydrophobicContact CD1-CG2 4.39Å; S96-I100 WeakPolarHBondContact O-CG1 3.35Å; S96-I100 PolarHBondContact O-N 3.32Å; L97-I100 WeakPolarHBondContact O-CB 3.33Å; L97-I100 PolarHBondContact O-N 3.26Å; L97-I100 VanDerWaalsContact O-N 3.16Å; L98-I100 VanDerWaalsContact C-N 3.3Å; L98-I100 PolarHBondContact O-N 3.18Å; I100-D102 VanDerWaalsContact C-N 3.3Å; I100-D102 PolarHBondContact O-N 3.41Å; I100-M103 WeakPolarHBondContact O-CB 3.32Å; I100-M103 PolarHBondContact O-N 3.36Å; I100-F104 HydrophobicContact CG2-CE1 4.08Å; I100-F104 WeakPolarHBondContact O-CD1 3.49Å; I100-F104 VanDerWaalsContact O-CE1 3.28Å; I100-F104 WeakPolarHBondContact O-CE1 3.34Å |
| 101 | M | 92.4 | Very high | 89.1 | Confident | 3 Ų | 3 | 48.8 Ų | 48.8 | 2% | 0.015 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.4 | -38.9 | 178.5 | -65.3 | 176 | 58.7 | 0 | 0 | 112.1 | I82 L97 L98 M103 F104 C105 V127 W130 L131 L165 | I82-M101 HydrophobicContact CD1-CG 3.39Å; I82-M101 HydrophobicContact CD1-SD 4.11Å; I82-M101 HydrophobicContact CG2-SD 4.29Å; L97-M101 WeakPolarHBondContact O-CG 3.47Å; L97-M101 PolarHBondContact O-N 3.13Å; L97-M101 VanDerWaalsContact O-N 3.09Å; L98-M101 HydrophobicContact CD2-SD 4.29Å; L98-M101 WeakPolarHBondContact O-CB 3.39Å; L98-M101 PolarHBondContact O-N 3.32Å; L98-M101 VanDerWaalsContact O-N 3.12Å; M101-M103 PolarHBondContact O-N 2.87Å; M101-M103 VanDerWaalsContact O-N 3.12Å; M101-F104 PolarHBondContact O-N 3.4Å; M101-F104 VanDerWaalsContact O-N 3.12Å; M101-C105 WeakPolarHBondContact O-CB 3.45Å; M101-C105 PolarHBondContact O-N 3Å; M101-V127 HydrophobicContact CE-CG1 3.37Å; M101-V127 HydrophobicContact SD-CG1 4.03Å; M101-W130 HydrophobicContact SD-CZ3 4.33Å; M101-L131 HydrophobicContact CE-CD1 3.98Å; M101-L165 HydrophobicContact CE-CD1 3.8Å |
| 102 | D | 90.9 | Very high | 88.6 | Confident | 58 Ų | 58 | 47.1 Ų | 47.1 | 31% | 0.31 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -59.3 | -25.3 | 179.9 | -66.7 | -23.1 | 0 | 0 | 0 | 112.9 | L98 E99 I100 F104 R161 | L98-D102 PolarHBondContact O-N 3.25Å; L98-D102 VanDerWaalsContact O-N 3.16Å; E99-D102 PolarHBondContact O-N 2.98Å; I100-D102 VanDerWaalsContact C-N 3.3Å; I100-D102 PolarHBondContact O-N 3.41Å; D102-F104 PolarHBondContact O-N 3.22Å; D102-R161 IonicContact OD1-CZ 3.83Å; D102-R161 IonicContact OD1-NE 3.22Å; D102-R161 PolarHBondContact OD1-NE 3.38Å; D102-R161 IonicContact OD1-NH2 3.75Å; D102-R161 IonicContact OD2-CZ 3.14Å; D102-R161 IonicContact OD2-NE 3.8Å; D102-R161 PolarHBondContact OD2-NE 3.36Å; D102-R161 IonicContact OD2-NH2 2.94Å; D102-R161 PolarHBondContact OD2-NH2 2.93Å |
| 103 | M | 90.5 | Very high | 88.3 | Confident | 50 Ų | 50 | 49.7 Ų | 49.7 | 25% | 0.246 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -29.2 | 178.6 | -62.2 | -177.7 | 61 | 0 | 0 | 113.1 | K65 I68 S69 I100 M101 R107 | K65-M103 HydrophobicContact CB-CE 4.05Å; K65-M103 HydrophobicContact CB-SD 4.08Å; K65-M103 HydrophobicContact CD-SD 4.25Å; K65-M103 HydrophobicContact CG-CE 4.36Å; K65-M103 HydrophobicContact CG-SD 3.71Å; I68-M103 HydrophobicContact CG2-CE 4.47Å; S69-M103 WeakPolarHBondContact OG-CE 3.32Å; I100-M103 WeakPolarHBondContact O-CB 3.32Å; I100-M103 PolarHBondContact O-N 3.36Å; M101-M103 PolarHBondContact O-N 2.87Å; M101-M103 VanDerWaalsContact O-N 3.12Å; M103-R107 PolarHBondContact O-NH2 3.42Å |
| 104 | F | 88.3 | Confident | 87.8 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 0% | 0.004 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -140.2 | -4 | -169.3 | 65.6 | -94.2 | 0 | 0 | 0 | 116.1 | I68 Y75 V78 L79 I100 M101 D102 H106 R107 L108 | I68-F104 HydrophobicContact CD1-CE1 4.36Å; I68-F104 HydrophobicContact CG2-CD1 3.97Å; Y75-F104 HydrophobicContact CD1-CB 3.65Å; Y75-F104 HydrophobicContact CD1-CD1 4.2Å; Y75-F104 AromaticContact CD1-CD2 3.53Å; Y75-F104 HydrophobicContact CD1-CD2 3.53Å; Y75-F104 HydrophobicContact CD1-CE2 4.2Å; Y75-F104 AromaticContact CD1-CG 3.53Å; Y75-F104 HydrophobicContact CD1-CG 3.53Å; Y75-F104 HydrophobicContact CE1-CB 3.37Å; Y75-F104 HydrophobicContact CE1-CD1 4.47Å; Y75-F104 HydrophobicContact CE1-CD2 4.19Å; Y75-F104 AromaticContact CE1-CG 3.79Å; Y75-F104 HydrophobicContact CE1-CG 3.79Å; Y75-F104 HydrophobicContact CG-CB 4.48Å; Y75-F104 AromaticContact CG-CD2 3.88Å; Y75-F104 HydrophobicContact CG-CD2 3.88Å; Y75-F104 HydrophobicContact CG-CE2 4.46Å; Y75-F104 HydrophobicContact CG-CG 4.32Å; V78-F104 HydrophobicContact CB-CZ 4.28Å; V78-F104 HydrophobicContact CG1-CE1 3.83Å; V78-F104 HydrophobicContact CG1-CZ 3.81Å; L79-F104 HydrophobicContact CD1-CE2 4.37Å; L79-F104 HydrophobicContact CD2-CE2 3.8Å; L79-F104 HydrophobicContact CD2-CZ 3.96Å; L79-F104 HydrophobicContact CG-CE2 3.88Å; L79-F104 HydrophobicContact CG-CZ 4.19Å; I100-F104 HydrophobicContact CG2-CE1 4.08Å; I100-F104 WeakPolarHBondContact O-CD1 3.49Å; I100-F104 VanDerWaalsContact O-CE1 3.28Å; I100-F104 WeakPolarHBondContact O-CE1 3.34Å; M101-F104 PolarHBondContact O-N 3.4Å; M101-F104 VanDerWaalsContact O-N 3.12Å; D102-F104 PolarHBondContact O-N 3.22Å; F104-H106 PolarHBondContact O-N 2.87Å; F104-H106 VanDerWaalsContact O-N 3.08Å; F104-R107 CarbonylContact O-C 3.58Å; F104-R107 WeakPolarHBondContact O-CA 3.45Å; F104-R107 PolarHBondContact O-N 3.36Å; F104-L108 HydrophobicContact CD2-CD2 3.64Å; F104-L108 HydrophobicContact CE2-CD2 3.86Å; F104-L108 PolarHBondContact O-N 3.14Å |
| 105 | C | 82.8 | Confident | 87.3 | Confident | 39 Ų | 39 | 55 Ų | 55 | 26% | 0.264 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -55 | -30.2 | -177 | 61.4 | 0 | 0 | 0 | 0 | 114.7 | M101 L165 | M101-C105 WeakPolarHBondContact O-CB 3.45Å; M101-C105 PolarHBondContact O-N 3Å; C105-L165 HydrophobicContact CB-CD2 4.12Å |
| 106 | H | 80.9 | Confident | 87 | Confident | 129 Ų | 129 | 54 Ų | 54 | 60% | 0.597 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | -85.9 | -5.8 | 177.5 | 58.8 | -79 | 0 | 0 | 0 | 113.8 | F104 | F104-H106 PolarHBondContact O-N 2.87Å; F104-H106 VanDerWaalsContact O-N 3.08Å |
| 107 | R | 81.4 | Confident | 86.9 | Confident | 139 Ų | 139 | 53.2 Ų | 53.2 | 53% | 0.525 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -125.3 | 26.4 | -174.9 | -74.4 | -179.4 | -72.4 | 174.2 | 3.3 | 113.2 | Y75 M103 F104 N109 | Y75-R107 WeakPolarHBondContact CE2-O 3.16Å; M103-R107 PolarHBondContact O-NH2 3.42Å; F104-R107 CarbonylContact O-C 3.58Å; F104-R107 WeakPolarHBondContact O-CA 3.45Å; F104-R107 PolarHBondContact O-N 3.36Å; R107-N109 VanDerWaalsContact C-N 3.31Å; R107-N109 PolarHBondContact O-N 3.27Å |
| 108 | L | 85.8 | Confident | 86.8 | Confident | 2 Ų | 2 | 53.3 Ų | 53.3 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | trans | -66.4 | 87.8 | 176.9 | -67 | 174 | 0 | 0 | 0 | 111.1 | Y75 L79 F104 L120 L124 L165 K170 | Y75-L108 HydrophobicContact CG-CD2 4.38Å; L79-L108 HydrophobicContact CD1-CD2 3.92Å; F104-L108 HydrophobicContact CD2-CD2 3.64Å; F104-L108 HydrophobicContact CE2-CD2 3.86Å; F104-L108 PolarHBondContact O-N 3.14Å; L108-L120 HydrophobicContact CD2-CD1 4.47Å; L108-L124 HydrophobicContact CD1-CD1 4.04Å; L108-L165 HydrophobicContact CD1-CD2 3.76Å; L108-K170 PolarHBondContact O-NZ 3.44Å | ||
| 109 | N | 82.8 | Confident | 86.6 | Confident | 63 Ų | 63 | 54.2 Ų | 54.2 | 34% | 0.337 | 27% | 0.271 | S | S | . | . | trans | -123.6 | 149.7 | 176.3 | -66.2 | 2.4 | 0 | 0 | 0 | 109.7 | R107 K170 S987 | R107-N109 VanDerWaalsContact C-N 3.31Å; R107-N109 PolarHBondContact O-N 3.27Å; N109-K170 PolarHBondContact OD1-NZ 3.03Å; N109-S987 WeakPolarHBondContact CA-O 3.34Å | ||
| 110 | C | 84.7 | Confident | 86.5 | Confident | 20 Ų | 20 | 50.7 Ų | 50.7 | 14% | 0.135 | 25% | 0.254 | C | S | . | . | trans | -138.7 | 116.6 | 173 | -176.1 | 0 | 0 | 0 | 0 | 109.3 | L120 S987 | C110-L120 HydrophobicContact CB-CD2 3.84Å; C110-S987 PolarHBondContact N-O 3.18Å; C110-S987 WeakPolarHBondContact O-CB 3.44Å | ||
| 111 | H | 80.2 | Confident | 86.6 | Confident | 147 Ų | 147 | 50.7 Ų | 50.7 | 68% | 0.681 | 25% | 0.254 | S | S | * | . | trans | -103.7 | 11.8 | 177.7 | -58.1 | -62.9 | 0 | 0 | 0 | 112.7 | ||||
| 112 | G | 79.6 | Confident | 86.7 | Confident | 22 Ų | 22 | 56.1 Ų | 56.1 | 23% | 0.227 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -78.4 | -162.9 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115 | E116 | G112-E116 WeakPolarHBondContact CA-OE2 3.4Š|
| 113 | K | 84 | Confident | 86.8 | Confident | 157 Ų | 157 | 53.5 Ų | 53.5 | 68% | 0.683 | 26% | 0.261 | S | S | * | . | trans | -66.9 | 158.1 | 170.1 | -67.5 | -177.3 | -179.1 | -179.5 | 0 | 110 | E115 E116 C117 | K113-E115 PolarHBondContact O-N 2.93Å; K113-E115 VanDerWaalsContact O-N 3.16Å; K113-E116 PolarHBondContact N-OE2 3.46Å; K113-E116 WeakPolarHBondContact O-CB 3.38Å; K113-E116 PolarHBondContact O-N 3.14Å; K113-C117 PolarHBondContact O-N 3.01Å | ||
| 114 | A | 83.6 | Confident | 87 | Confident | 23 Ų | 23 | 51.2 Ų | 51.2 | 19% | 0.19 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -59.9 | -31 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | E116 C117 I118 R980 | A114-E116 VanDerWaalsContact C-N 3.34Å; A114-C117 PolarHBondContact O-N 2.99Å; A114-I118 WeakPolarHBondContact O-CG1 3.39Å; A114-I118 PolarHBondContact O-N 3.43Å; A114-R980 HydrophobicContact CB-CB 3.94Å; A114-R980 HydrophobicContact CB-CG 4.49Å |
| 115 | E | 84.6 | Confident | 87.3 | Confident | 88 Ų | 88 | 51.3 Ų | 51.3 | 41% | 0.411 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -63.2 | -37.4 | 173 | -61.3 | -54.8 | 143.9 | 0 | 0 | 112.7 | K113 I118 G119 R980 | K113-E115 PolarHBondContact O-N 2.93Å; K113-E115 VanDerWaalsContact O-N 3.16Å; E115-I118 PolarHBondContact O-N 2.98Å; E115-G119 PolarHBondContact O-N 3.06Å; E115-R980 WeakPolarHBondContact OE1-CD 3.47Å; E115-R980 IonicContact OE1-CZ 3.06Å; E115-R980 IonicContact OE1-NE 3.36Å; E115-R980 PolarHBondContact OE1-NE 3.41Å; E115-R980 IonicContact OE1-NH1 2.68Å; E115-R980 PolarHBondContact OE1-NH1 2.66Å; E115-R980 IonicContact OE1-NH2 2.84Å; E115-R980 PolarHBondContact OE1-NH2 3.25Å |
| 116 | E | 86 | Confident | 87.9 | Confident | 95 Ų | 95 | 50.5 Ų | 50.5 | 44% | 0.444 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -68.9 | -36.9 | 177.1 | -64 | 168.5 | -162.1 | 0 | 0 | 110.7 | G112 K113 A114 G119 L120 | G112-E116 WeakPolarHBondContact CA-OE2 3.4Å; K113-E116 PolarHBondContact N-OE2 3.46Å; K113-E116 WeakPolarHBondContact O-CB 3.38Å; K113-E116 PolarHBondContact O-N 3.14Å; A114-E116 VanDerWaalsContact C-N 3.34Å; E116-G119 PolarHBondContact O-N 2.94Å; E116-L120 PolarHBondContact O-N 3.43Å |
| 117 | C | 91 | Very high | 88.6 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.3 | -39.5 | 173.8 | -53.5 | 0 | 0 | 0 | 0 | 112 | K113 A114 G119 L120 C121 A983 | K113-C117 PolarHBondContact O-N 3.01Å; A114-C117 PolarHBondContact O-N 2.99Å; C117-G119 VanDerWaalsContact C-N 3.33Å; C117-L120 WeakPolarHBondContact O-CB 3.14Å; C117-L120 PolarHBondContact O-N 3.33Å; C117-C121 PolarHBondContact O-N 3.33Å; C117-C121 VanDerWaalsContact O-N 3.08Å; C117-C121 PolarHBondContact O-SG 3.15Å; C117-A983 HydrophobicContact CB-CB 4.03Å |
| 118 | I | 91.9 | Very high | 89.2 | Confident | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.2 | -38.6 | 172.1 | -69.6 | -67 | 0 | 0 | 0 | 111 | A114 E115 L120 C121 R122 I177 E181 R979 R980 A983 | A114-I118 WeakPolarHBondContact O-CG1 3.39Å; A114-I118 PolarHBondContact O-N 3.43Å; E115-I118 PolarHBondContact O-N 2.98Å; I118-L120 VanDerWaalsContact C-N 3.29Å; I118-L120 PolarHBondContact O-N 2.95Å; I118-C121 WeakPolarHBondContact O-CB 3.49Å; I118-C121 PolarHBondContact O-N 2.9Å; I118-C121 VanDerWaalsContact O-N 3.15Å; I118-R122 PolarHBondContact O-N 2.98Å; I118-I177 HydrophobicContact CD1-CG2 3.98Å; I118-E181 HydrophobicContact CG2-CG 4.29Å; I118-R979 HydrophobicContact CD1-CB 4.46Å; I118-R980 HydrophobicContact CD1-CG 4.35Å; I118-R980 HydrophobicContact CG1-CB 4.49Å; I118-R980 HydrophobicContact CG1-CG 3.82Å; I118-A983 HydrophobicContact CD1-CB 3.67Å; I118-A983 HydrophobicContact CG1-CB 4.21Å |
| 119 | G | 90.6 | Very high | 89.7 | Confident | 22 Ų | 22 | 38.3 Ų | 38.3 | 23% | 0.227 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -53.7 | -47.3 | 171 | 0 | 0 | 0 | 0 | 0 | 111.7 | S76 E115 E116 C117 C121 R122 A123 | S76-G119 PolarHBondContact OG-O 3.41Å; S76-G119 VanDerWaalsContact OG-O 3.14Å; E115-G119 PolarHBondContact O-N 3.06Å; E116-G119 PolarHBondContact O-N 2.94Å; C117-G119 VanDerWaalsContact C-N 3.33Å; G119-C121 PolarHBondContact O-N 2.88Å; G119-R122 PolarHBondContact O-N 2.95Å; G119-A123 WeakPolarHBondContact O-CB 3.49Å; G119-A123 PolarHBondContact O-N 3.43Å |
| 120 | L | 92.2 | Very high | 90.3 | Very high | 4 Ų | 4 | 35.4 Ų | 35.4 | 2% | 0.021 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.6 | -42.6 | 175.7 | 179.7 | 62.9 | 0 | 0 | 0 | 112.3 | S76 L79 L108 C110 E116 C117 I118 R122 A123 L124 L174 | S76-L120 PolarHBondContact OG-N 3.36Å; L79-L120 HydrophobicContact CD1-CD1 4.14Å; L108-L120 HydrophobicContact CD2-CD1 4.47Å; C110-L120 HydrophobicContact CB-CD2 3.84Å; E116-L120 PolarHBondContact O-N 3.43Å; C117-L120 WeakPolarHBondContact O-CB 3.14Å; C117-L120 PolarHBondContact O-N 3.33Å; I118-L120 VanDerWaalsContact C-N 3.29Å; I118-L120 PolarHBondContact O-N 2.95Å; L120-R122 PolarHBondContact O-N 2.75Å; L120-A123 PolarHBondContact O-N 2.66Å; L120-L124 VanDerWaalsContact O-CB 3.32Å; L120-L124 WeakPolarHBondContact O-CB 3.36Å; L120-L124 PolarHBondContact O-N 2.72Å; L120-L174 HydrophobicContact CD2-CD1 4.43Å |
| 121 | C | 94.3 | Very high | 90.9 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.007 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -56.9 | -48.8 | 175.1 | -64.1 | 0 | 0 | 0 | 0 | 111.5 | C117 I118 G119 L124 L125 A178 | C117-C121 PolarHBondContact O-N 3.33Å; C117-C121 VanDerWaalsContact O-N 3.08Å; C117-C121 PolarHBondContact O-SG 3.15Å; I118-C121 WeakPolarHBondContact O-CB 3.49Å; I118-C121 PolarHBondContact O-N 2.9Å; I118-C121 VanDerWaalsContact O-N 3.15Å; G119-C121 PolarHBondContact O-N 2.88Å; C121-L124 PolarHBondContact O-N 3.22Å; C121-L125 PolarHBondContact O-N 2.96Å; C121-A178 HydrophobicContact CB-CB 3.95Å; C121-A178 VanDerWaalsContact O-CB 3.28Å; C121-A178 WeakPolarHBondContact O-CB 3.26Å |
| 122 | R | 93.8 | Very high | 91.7 | Very high | 117 Ų | 117 | 27.5 Ų | 27.5 | 44% | 0.442 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -64.7 | -42.8 | 179 | -67.6 | -179 | -173.6 | 148.8 | 1.9 | 112 | I118 G119 L120 L124 L125 G126 E181 | I118-R122 PolarHBondContact O-N 2.98Å; G119-R122 PolarHBondContact O-N 2.95Å; L120-R122 PolarHBondContact O-N 2.75Å; R122-L124 VanDerWaalsContact C-N 3.33Å; R122-L124 PolarHBondContact O-N 3.05Å; R122-L125 PolarHBondContact O-N 3.28Å; R122-G126 PolarHBondContact O-N 3.12Å; R122-E181 IonicContact NH2-OE1 3.86Å; R122-E181 PolarHBondContact NH2-OE1 3.06Å |
| 123 | A | 93.8 | Very high | 92.4 | Very high | 3 Ų | 3 | 30 Ų | 30 | 3% | 0.025 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.5 | -39.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | S76 L79 T80 G119 L120 G126 V127 | S76-A123 WeakPolarHBondContact O-CB 3.27Å; L79-A123 HydrophobicContact CB-CB 3.85Å; T80-A123 WeakPolarHBondContact OG1-CB 3.31Å; G119-A123 WeakPolarHBondContact O-CB 3.49Å; G119-A123 PolarHBondContact O-N 3.43Å; L120-A123 PolarHBondContact O-N 2.66Å; A123-G126 PolarHBondContact O-N 2.97Å; A123-V127 PolarHBondContact O-N 3.45Å |
| 124 | L | 94.3 | Very high | 93 | Very high | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -65.7 | -43.4 | 175.7 | -174.4 | 62.9 | 0 | 0 | 0 | 111.8 | L108 L120 C121 R122 V127 V128 L165 N171 L174 V175 | L108-L124 HydrophobicContact CD1-CD1 4.04Å; L120-L124 VanDerWaalsContact O-CB 3.32Å; L120-L124 WeakPolarHBondContact O-CB 3.36Å; L120-L124 PolarHBondContact O-N 2.72Å; C121-L124 PolarHBondContact O-N 3.22Å; R122-L124 VanDerWaalsContact C-N 3.33Å; R122-L124 PolarHBondContact O-N 3.05Å; L124-V127 PolarHBondContact O-N 3.29Å; L124-V128 WeakPolarHBondContact O-CG2 3.47Å; L124-V128 PolarHBondContact O-N 3.32Å; L124-L165 HydrophobicContact CD1-CD1 4.39Å; L124-L165 HydrophobicContact CD1-CD2 4.24Å; L124-N171 HydrophobicContact CD2-CB 4.05Å; L124-L174 HydrophobicContact CD2-CB 3.96Å; L124-L174 HydrophobicContact CD2-CD1 4.41Å; L124-V175 HydrophobicContact CB-CG2 4.49Å; L124-V175 HydrophobicContact CD2-CG2 3.69Å; L124-V175 HydrophobicContact CG-CG2 3.73Å |
| 125 | L | 95.1 | Very high | 93.5 | Very high | 4 Ų | 4 | 21.6 Ų | 21.6 | 2% | 0.021 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -59.6 | -45.6 | 173.2 | 176.6 | 63.4 | 0 | 0 | 0 | 111.3 | C121 R122 V127 V128 V129 V175 A178 W186 V189 | C121-L125 PolarHBondContact O-N 2.96Å; R122-L125 PolarHBondContact O-N 3.28Å; L125-V127 VanDerWaalsContact C-N 3.33Å; L125-V127 PolarHBondContact O-N 3.39Å; L125-V128 WeakPolarHBondContact O-CB 3.4Å; L125-V128 PolarHBondContact O-N 3.36Å; L125-V129 WeakPolarHBondContact O-CG2 3.41Å; L125-V129 PolarHBondContact O-N 3.27Å; L125-V175 HydrophobicContact CD1-CG1 3.95Å; L125-A178 HydrophobicContact CB-CB 3.74Å; L125-A178 HydrophobicContact CD2-CB 3.84Å; L125-A178 HydrophobicContact CG-CB 4.38Å; L125-W186 HydrophobicContact CD1-CE3 4.1Å; L125-V189 HydrophobicContact CD1-CG2 3.69Å |
| 126 | G | 94.9 | Very high | 94 | Very high | 22 Ų | 22 | 17.9 Ų | 17.9 | 23% | 0.227 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -58.7 | -41.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | R122 A123 V129 W130 | R122-G126 PolarHBondContact O-N 3.12Å; A123-G126 PolarHBondContact O-N 2.97Å; G126-V129 PolarHBondContact O-N 3.17Å; G126-W130 WeakPolarHBondContact O-CB 3.49Å; G126-W130 PolarHBondContact O-N 2.71Å |
| 127 | V | 95.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -72.7 | -31.6 | 176.9 | 171.9 | 0 | 0 | 0 | 0 | 112.7 | L79 I82 M101 A123 L124 L125 W130 L131 L165 | L79-V127 HydrophobicContact CB-CG2 3.68Å; L79-V127 HydrophobicContact CD2-CB 4.17Å; L79-V127 HydrophobicContact CD2-CG1 4.11Å; L79-V127 HydrophobicContact CD2-CG2 3.71Å; L79-V127 HydrophobicContact CG-CG2 4.27Å; L79-V127 WeakPolarHBondContact O-CG2 3.31Å; I82-V127 HydrophobicContact CB-CG2 4.35Å; I82-V127 HydrophobicContact CG2-CG2 4.48Å; M101-V127 HydrophobicContact CE-CG1 3.37Å; M101-V127 HydrophobicContact SD-CG1 4.03Å; A123-V127 PolarHBondContact O-N 3.45Å; L124-V127 PolarHBondContact O-N 3.29Å; L125-V127 VanDerWaalsContact C-N 3.33Å; L125-V127 PolarHBondContact O-N 3.39Å; V127-W130 PolarHBondContact O-N 2.98Å; V127-L131 HydrophobicContact CG1-CD1 4.14Å; V127-L131 HydrophobicContact CG1-CG 4.3Å; V127-L131 WeakPolarHBondContact O-CB 3.5Å; V127-L131 WeakPolarHBondContact O-CG 3.39Å; V127-L131 PolarHBondContact O-N 3.05Å; V127-L165 HydrophobicContact CG1-CD1 4.35Å |
| 128 | V | 95.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -61.8 | -45.6 | 170.9 | 166.9 | 0 | 0 | 0 | 0 | 110.7 | L124 L125 L131 L132 L162 M166 V175 | L124-V128 WeakPolarHBondContact O-CG2 3.47Å; L124-V128 PolarHBondContact O-N 3.32Å; L125-V128 WeakPolarHBondContact O-CB 3.4Å; L125-V128 PolarHBondContact O-N 3.36Å; V128-L131 PolarHBondContact O-N 3.21Å; V128-L132 HydrophobicContact CG1-CD1 4.06Å; V128-L132 WeakPolarHBondContact O-CB 3.32Å; V128-L132 WeakPolarHBondContact O-CG 3.35Å; V128-L132 PolarHBondContact O-N 3.08Å; V128-L162 HydrophobicContact CB-CD1 4.49Å; V128-L162 HydrophobicContact CG1-CD1 4.09Å; V128-L162 HydrophobicContact CG2-CD1 4.32Å; V128-M166 HydrophobicContact CG2-CE 3.53Å; V128-M166 HydrophobicContact CG2-SD 3.99Å; V128-V175 HydrophobicContact CG2-CG2 4.33Å |
| 129 | V | 95.5 | Very high | 94.6 | Very high | 13 Ų | 13 | 16.8 Ų | 16.8 | 8% | 0.079 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -59.3 | -47.9 | 173.6 | 174.7 | 0 | 0 | 0 | 0 | 110.3 | L125 G126 L131 L132 Q133 N188 V189 | L125-V129 WeakPolarHBondContact O-CG2 3.41Å; L125-V129 PolarHBondContact O-N 3.27Å; G126-V129 PolarHBondContact O-N 3.17Å; V129-L131 PolarHBondContact O-N 3.46Å; V129-L132 WeakPolarHBondContact O-CB 3.27Å; V129-L132 PolarHBondContact O-N 3.4Å; V129-Q133 HydrophobicContact CG1-CG 4.24Å; V129-Q133 WeakPolarHBondContact O-CG 3.43Å; V129-Q133 PolarHBondContact O-N 2.98Å; V129-N188 HydrophobicContact CG1-CB 4.26Å; V129-N188 HydrophobicContact CG2-CB 4.42Å; V129-V189 HydrophobicContact CG2-CG2 3.39Å |
| 130 | W | 96.5 | Very high | 94.6 | Very high | 2 Ų | 2 | 18.4 Ų | 18.4 | 1% | 0.008 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -59 | -43.7 | -179.9 | -176.3 | 80.6 | 0 | 0 | 0 | 113.2 | I82 F85 F88 V94 L97 L98 M101 G126 V127 Q133 G134 | I82-W130 HydrophobicContact CG2-CD2 3.99Å; I82-W130 HydrophobicContact CG2-CE3 3.8Å; I82-W130 HydrophobicContact CG2-CH2 4.12Å; I82-W130 HydrophobicContact CG2-CZ2 4.29Å; I82-W130 HydrophobicContact CG2-CZ3 3.87Å; F85-W130 HydrophobicContact CD1-CZ2 4.12Å; F85-W130 VanDerWaalsContact O-CD1 3.24Å; F85-W130 PolarHBondContact O-NE1 3.1Å; F88-W130 HydrophobicContact CE1-CD2 4.34Å; F88-W130 AromaticContact CE1-CE2 3.77Å; F88-W130 AromaticContact CE1-CZ2 3.97Å; F88-W130 HydrophobicContact CE1-CZ2 3.97Å; F88-W130 AromaticContact CE1-NE1 3.79Å; F88-W130 AromaticContact CZ-CD1 3.68Å; F88-W130 HydrophobicContact CZ-CD2 4.31Å; F88-W130 AromaticContact CZ-CE2 3.87Å; F88-W130 HydrophobicContact CZ-CG 4.2Å; F88-W130 HydrophobicContact CZ-CZ2 4.5Å; F88-W130 AromaticContact CZ-NE1 3.44Å; F88-W130 WeakPolarHBondContact CZ-O 3.18Å; V94-W130 HydrophobicContact CG1-CH2 4.15Å; L97-W130 HydrophobicContact CB-CH2 4.11Å; L97-W130 HydrophobicContact CD1-CH2 4.26Å; L97-W130 HydrophobicContact CD1-CZ2 3.91Å; L98-W130 HydrophobicContact CD2-CH2 4.37Å; L98-W130 HydrophobicContact CD2-CZ3 3.9Å; M101-W130 HydrophobicContact SD-CZ3 4.33Å; G126-W130 WeakPolarHBondContact O-CB 3.49Å; G126-W130 PolarHBondContact O-N 2.71Å; V127-W130 PolarHBondContact O-N 2.98Å; W130-Q133 PolarHBondContact O-N 3.42Å; W130-G134 PolarHBondContact O-N 3.24Å |
| 131 | L | 96.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -66.3 | -39.9 | 176.3 | -73.3 | 171.1 | 0 | 0 | 0 | 112.1 | L98 M101 V127 V128 V129 Q133 G134 C135 R161 L162 L165 | L98-L131 HydrophobicContact CD2-CD2 3.57Å; M101-L131 HydrophobicContact CE-CD1 3.98Å; V127-L131 HydrophobicContact CG1-CD1 4.14Å; V127-L131 HydrophobicContact CG1-CG 4.3Å; V127-L131 WeakPolarHBondContact O-CB 3.5Å; V127-L131 WeakPolarHBondContact O-CG 3.39Å; V127-L131 PolarHBondContact O-N 3.05Å; V128-L131 PolarHBondContact O-N 3.21Å; V129-L131 PolarHBondContact O-N 3.46Å; L131-Q133 VanDerWaalsContact C-N 3.34Å; L131-G134 PolarHBondContact O-N 3.05Å; L131-C135 PolarHBondContact O-N 2.77Å; L131-C135 PolarHBondContact O-SG 3.02Å; L131-C135 VanDerWaalsContact O-SG 3.36Å; L131-R161 HydrophobicContact CD1-CB 4.36Å; L131-R161 HydrophobicContact CD2-CB 4.28Å; L131-L162 HydrophobicContact CB-CB 4.18Å; L131-L162 HydrophobicContact CB-CD1 4.26Å; L131-L162 HydrophobicContact CD1-CB 3.99Å; L131-L162 HydrophobicContact CD1-CD1 4.22Å; L131-L165 HydrophobicContact CD1-CD1 3.88Å |
| 132 | L | 96.2 | Very high | 94.2 | Very high | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.005 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -63.5 | -40.6 | 174.2 | -75 | 168.4 | 0 | 0 | 0 | 111.4 | V128 V129 G134 C135 A136 L162 V189 T192 M193 V196 L216 | V128-L132 HydrophobicContact CG1-CD1 4.06Å; V128-L132 WeakPolarHBondContact O-CB 3.32Å; V128-L132 WeakPolarHBondContact O-CG 3.35Å; V128-L132 PolarHBondContact O-N 3.08Å; V129-L132 WeakPolarHBondContact O-CB 3.27Å; V129-L132 PolarHBondContact O-N 3.4Å; L132-G134 VanDerWaalsContact C-N 3.33Å; L132-C135 WeakPolarHBondContact O-CB 3.49Å; L132-C135 PolarHBondContact O-N 3.29Å; L132-A136 PolarHBondContact O-N 3.48Å; L132-L162 HydrophobicContact CD2-CD2 3.58Å; L132-L162 HydrophobicContact CG-CD2 3.95Å; L132-V189 HydrophobicContact CD1-CG1 3.8Å; L132-T192 HydrophobicContact CB-CG2 3.65Å; L132-M193 HydrophobicContact CD1-CG 3.98Å; L132-M193 HydrophobicContact CD2-CG 4.1Å; L132-V196 HydrophobicContact CD2-CG2 4.42Å; L132-V196 WeakPolarHBondContact O-CG2 3.41Å; L132-L216 HydrophobicContact CD2-CD2 3.79Å |
| 133 | Q | 95.8 | Very high | 93.9 | Very high | 76 Ų | 76 | 21 Ų | 21 | 36% | 0.355 | 10% | 0.102 | S | C | . | . | H | α-helix | trans | -64.3 | -40.7 | 176.2 | -74.3 | 173.9 | -22.8 | 0 | 0 | 110.9 | F88 V129 W130 L131 A136 F137 T192 | F88-Q133 HydrophobicContact CE2-CB 4.01Å; F88-Q133 HydrophobicContact CZ-CB 3.96Å; V129-Q133 HydrophobicContact CG1-CG 4.24Å; V129-Q133 WeakPolarHBondContact O-CG 3.43Å; V129-Q133 PolarHBondContact O-N 2.98Å; W130-Q133 PolarHBondContact O-N 3.42Å; L131-Q133 VanDerWaalsContact C-N 3.34Å; Q133-A136 PolarHBondContact O-N 2.87Å; Q133-F137 VanDerWaalsContact O-CB 3.3Å; Q133-F137 WeakPolarHBondContact O-CB 3.25Å; Q133-F137 PolarHBondContact O-N 3.39Å; Q133-T192 HydrophobicContact CB-CG2 4.31Å; Q133-T192 HydrophobicContact CG-CG2 3.76Å |
| 134 | G | 95.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -59.1 | -47.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | W130 L131 L132 A136 F137 Y138 | W130-G134 PolarHBondContact O-N 3.24Å; L131-G134 PolarHBondContact O-N 3.05Å; L132-G134 VanDerWaalsContact C-N 3.33Å; G134-A136 PolarHBondContact O-N 2.86Å; G134-F137 PolarHBondContact O-N 3.4Å; G134-Y138 WeakPolarHBondContact O-CD2 3.48Å; G134-Y138 PolarHBondContact O-N 3.09Å |
| 135 | C | 95.3 | Very high | 92.9 | Very high | 3 Ų | 3 | 34 Ų | 34 | 2% | 0.02 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -58.8 | -45.9 | 174.8 | -69.3 | 0 | 0 | 0 | 0 | 112 | L131 L132 Y138 C139 L155 V196 | L131-C135 PolarHBondContact O-N 2.77Å; L131-C135 PolarHBondContact O-SG 3.02Å; L131-C135 VanDerWaalsContact O-SG 3.36Å; L132-C135 WeakPolarHBondContact O-CB 3.49Å; L132-C135 PolarHBondContact O-N 3.29Å; C135-Y138 PolarHBondContact O-N 3.46Å; C135-C139 WeakPolarHBondContact O-CB 3.07Å; C135-C139 PolarHBondContact O-N 3.2Å; C135-C139 PolarHBondContact O-SG 3.47Å; C135-L155 HydrophobicContact CB-CD1 4Å; C135-V196 HydrophobicContact CB-CG1 4.26Å; C135-V196 HydrophobicContact CB-CG2 3.9Å |
| 136 | A | 94.9 | Very high | 92 | Very high | 9 Ų | 9 | 34.9 Ų | 34.9 | 7% | 0.074 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.7 | -48.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | L132 Q133 G134 Y138 C139 D140 T192 A195 V196 | L132-A136 PolarHBondContact O-N 3.48Å; Q133-A136 PolarHBondContact O-N 2.87Å; G134-A136 PolarHBondContact O-N 2.86Å; A136-Y138 PolarHBondContact O-N 2.93Å; A136-C139 PolarHBondContact O-N 3.23Å; A136-D140 PolarHBondContact O-N 2.85Å; A136-T192 HydrophobicContact CB-CG2 4.26Å; A136-A195 HydrophobicContact CB-CB 4.13Å; A136-V196 HydrophobicContact CB-CG2 3.82Å |
| 137 | F | 94.8 | Very high | 91.1 | Very high | 75 Ų | 75 | 39.4 Ų | 39.4 | 33% | 0.329 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -58 | -47.3 | 179.1 | -179.4 | -90.8 | 0 | 0 | 0 | 112.1 | F88 Q133 G134 D140 Q141 | F88-F137 HydrophobicContact CB-CB 4.28Å; F88-F137 HydrophobicContact CB-CD1 3.5Å; F88-F137 HydrophobicContact CB-CD2 4.14Å; F88-F137 HydrophobicContact CB-CE1 3.8Å; F88-F137 HydrophobicContact CB-CE2 4.39Å; F88-F137 HydrophobicContact CB-CG 3.69Å; F88-F137 HydrophobicContact CB-CZ 4.24Å; F88-F137 HydrophobicContact CG-CB 4.44Å; F88-F137 HydrophobicContact CG-CD1 4.46Å; F88-F137 HydrophobicContact CG-CG 4.34Å; Q133-F137 VanDerWaalsContact O-CB 3.3Å; Q133-F137 WeakPolarHBondContact O-CB 3.25Å; Q133-F137 PolarHBondContact O-N 3.39Å; G134-F137 PolarHBondContact O-N 3.4Å; F137-D140 PolarHBondContact O-N 3.08Å; F137-Q141 WeakPolarHBondContact O-CB 3.34Å; F137-Q141 PolarHBondContact O-N 3Å |
| 138 | Y | 93.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -73.9 | -28.5 | -179.5 | -64.5 | -57 | 0 | 0 | 0 | 113 | F88 V94 G134 C135 A136 Q141 L142 T151 I154 | F88-Y138 HydrophobicContact CD1-CE2 4.47Å; F88-Y138 PolarHBondContact O-OH 3.1Å; V94-Y138 HydrophobicContact CG1-CE2 4.41Å; V94-Y138 WeakPolarHBondContact CG2-OH 3.39Å; G134-Y138 WeakPolarHBondContact O-CD2 3.48Å; G134-Y138 PolarHBondContact O-N 3.09Å; C135-Y138 PolarHBondContact O-N 3.46Å; A136-Y138 PolarHBondContact O-N 2.93Å; Y138-Q141 PolarHBondContact O-N 3.25Å; Y138-L142 WeakPolarHBondContact O-CG 3.37Å; Y138-L142 PolarHBondContact O-N 3.12Å; Y138-T151 HydrophobicContact CD1-CG2 4.03Å; Y138-I154 HydrophobicContact CD2-CG2 4.02Å; Y138-I154 HydrophobicContact CE1-CG2 4.19Å; Y138-I154 HydrophobicContact CE2-CB 4.33Å; Y138-I154 HydrophobicContact CE2-CG2 3.37Å; Y138-I154 VanDerWaalsContact CZ-CG2 3.47Å |
| 139 | C | 91.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.7 | -43.9 | 168.5 | -73.8 | 0 | 0 | 0 | 0 | 111.8 | C135 A136 L142 R143 | C135-C139 WeakPolarHBondContact O-CB 3.07Å; C135-C139 PolarHBondContact O-N 3.2Å; C135-C139 PolarHBondContact O-SG 3.47Å; A136-C139 PolarHBondContact O-N 3.23Å; C139-L142 PolarHBondContact O-N 2.7Å; C139-R143 PolarHBondContact O-N 3.26Å |
| 140 | D | 91 | Very high | 89.7 | Confident | 55 Ų | 55 | 47 Ų | 47 | 29% | 0.294 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -67.3 | -38.1 | 175.2 | -84.2 | -30.2 | 0 | 0 | 0 | 111.9 | A136 F137 L142 R143 E144 | A136-D140 PolarHBondContact O-N 2.85Å; F137-D140 PolarHBondContact O-N 3.08Å; D140-L142 VanDerWaalsContact C-N 3.32Å; D140-L142 PolarHBondContact O-N 3.23Å; D140-R143 WeakPolarHBondContact O-CA 3.38Å; D140-R143 WeakPolarHBondContact O-CB 3.37Å; D140-R143 PolarHBondContact O-N 3.26Å; D140-R143 IonicContact OD1-CZ 3.69Å; D140-R143 VanDerWaalsContact OD1-CZ 3.24Å; D140-R143 IonicContact OD1-NH1 3.73Å; D140-R143 PolarHBondContact OD1-NH1 3.32Å; D140-R143 IonicContact OD1-NH2 2.93Å; D140-R143 PolarHBondContact OD1-NH2 2.96Å; D140-E144 PolarHBondContact O-N 2.67Å; D140-E144 VanDerWaalsContact O-N 3.08Å |
| 141 | Q | 89.9 | Confident | 89.3 | Confident | 31 Ų | 31 | 47.1 Ų | 47.1 | 15% | 0.145 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.1 | -36.9 | 177.3 | -163.9 | -172.5 | 32.2 | 0 | 0 | 112 | F137 Y138 R143 E144 L145 T151 | F137-Q141 WeakPolarHBondContact O-CB 3.34Å; F137-Q141 PolarHBondContact O-N 3Å; Y138-Q141 PolarHBondContact O-N 3.25Å; Q141-R143 VanDerWaalsContact C-N 3.27Å; Q141-R143 PolarHBondContact O-N 2.89Å; Q141-E144 PolarHBondContact O-N 2.95Å; Q141-L145 HydrophobicContact CG-CD1 3.71Å; Q141-L145 HydrophobicContact CG-CG 4.36Å; Q141-L145 PolarHBondContact O-N 2.91Å; Q141-T151 HydrophobicContact CB-CG2 4.26Å; Q141-T151 HydrophobicContact CG-CG2 4.45Å |
| 142 | L | 89.1 | Confident | 89 | Confident | 7 Ų | 7 | 48.5 Ų | 48.5 | 4% | 0.037 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.9 | -30.2 | 172.4 | -74 | 169.4 | 0 | 0 | 0 | 112.4 | Y138 C139 D140 G146 T151 E152 L155 V203 | Y138-L142 WeakPolarHBondContact O-CG 3.37Å; Y138-L142 PolarHBondContact O-N 3.12Å; C139-L142 PolarHBondContact O-N 2.7Å; D140-L142 VanDerWaalsContact C-N 3.32Å; D140-L142 PolarHBondContact O-N 3.23Å; L142-G146 CarbonylContact O-C 3.56Å; L142-G146 VanDerWaalsContact O-CA 3.3Å; L142-G146 WeakPolarHBondContact O-CA 3.35Å; L142-G146 PolarHBondContact O-N 3.12Å; L142-G146 VanDerWaalsContact O-N 3.14Å; L142-T151 HydrophobicContact CD2-CG2 3.91Å; L142-T151 HydrophobicContact CG-CG2 3.79Å; L142-E152 HydrophobicContact CD1-CG 4.22Å; L142-E152 HydrophobicContact CD2-CG 4.16Å; L142-L155 HydrophobicContact CD1-CD2 3.92Å; L142-V203 HydrophobicContact CD1-CG2 4.46Å |
| 143 | R | 85.7 | Confident | 88.8 | Confident | 140 Ų | 140 | 50.8 Ų | 50.8 | 53% | 0.528 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -67 | -43.1 | 172.3 | -171.3 | -175.7 | 68 | -145.1 | -7.1 | 111.6 | C139 D140 Q141 N202 | C139-R143 PolarHBondContact O-N 3.26Å; D140-R143 WeakPolarHBondContact O-CA 3.38Å; D140-R143 WeakPolarHBondContact O-CB 3.37Å; D140-R143 PolarHBondContact O-N 3.26Å; D140-R143 IonicContact OD1-CZ 3.69Å; D140-R143 VanDerWaalsContact OD1-CZ 3.24Å; D140-R143 IonicContact OD1-NH1 3.73Å; D140-R143 PolarHBondContact OD1-NH1 3.32Å; D140-R143 IonicContact OD1-NH2 2.93Å; D140-R143 PolarHBondContact OD1-NH2 2.96Å; Q141-R143 VanDerWaalsContact C-N 3.27Å; Q141-R143 PolarHBondContact O-N 2.89Å; R143-N202 HydrophobicContact CB-CB 4.11Å |
| 144 | E | 85.3 | Confident | 88.6 | Confident | 150 Ų | 150 | 47.9 Ų | 47.9 | 70% | 0.701 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -79.4 | -42.2 | -174.6 | -69 | -174.8 | 174.6 | 0 | 0 | 113.8 | D140 Q141 | D140-E144 PolarHBondContact O-N 2.67Å; D140-E144 VanDerWaalsContact O-N 3.08Å; Q141-E144 PolarHBondContact O-N 2.95Å |
| 145 | L | 81.8 | Confident | 88.6 | Confident | 125 Ų | 125 | 47.9 Ų | 47.9 | 65% | 0.654 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -98.9 | -10.4 | -174.1 | -61.9 | 175.7 | 0 | 0 | 0 | 113.6 | Q141 | Q141-L145 HydrophobicContact CG-CD1 3.71Å; Q141-L145 HydrophobicContact CG-CG 4.36Å; Q141-L145 PolarHBondContact O-N 2.91Å |
| 146 | G | 76.1 | Confident | 88.6 | Confident | 24 Ų | 24 | 51.6 Ų | 51.6 | 25% | 0.247 | 29% | 0.287 | C | S | . | . | trans | 79.7 | -172.4 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | L142 S148 | L142-G146 CarbonylContact O-C 3.56Å; L142-G146 VanDerWaalsContact O-CA 3.3Å; L142-G146 WeakPolarHBondContact O-CA 3.35Å; L142-G146 PolarHBondContact O-N 3.12Å; L142-G146 VanDerWaalsContact O-N 3.14Å; G146-S148 PolarHBondContact O-N 3.47Å; G146-S148 VanDerWaalsContact O-N 3.13Å | ||
| 147 | P | 77.9 | Confident | 88.6 | Confident | 116 Ų | 116 | 52.1 Ų | 52.1 | 75% | 0.753 | 29% | 0.291 | S | S | * | . | trans | -61.4 | 115 | -175.4 | -20 | 31.2 | 0 | 0 | 0 | 112 | P204 | P147-P204 HydrophobicContact CB-CG 4.14Å; P147-P204 HydrophobicContact CG-CG 4.35Å | ||
| 148 | S | 85 | Confident | 88.6 | Confident | 31 Ų | 31 | 48.6 Ų | 48.6 | 22% | 0.217 | 28% | 0.276 | C | S | . | . | trans | -128.1 | 117.4 | -179.9 | 169.1 | 0 | 0 | 0 | 0 | 110.1 | G146 S150 T151 E152 | G146-S148 PolarHBondContact O-N 3.47Å; G146-S148 VanDerWaalsContact O-N 3.13Å; S148-S150 VanDerWaalsContact C-N 3.26Å; S148-S150 PolarHBondContact O-N 3.16Å; S148-S150 PolarHBondContact OG-OG 3.4Å; S148-S150 VanDerWaalsContact OG-OG 3.08Å; S148-T151 WeakPolarHBondContact CB-OG1 3.48Å; S148-T151 PolarHBondContact O-N 3.12Å; S148-T151 PolarHBondContact OG-N 3.16Å; S148-T151 PolarHBondContact OG-OG1 3.06Å; S148-T151 VanDerWaalsContact OG-OG1 3.04Å; S148-E152 WeakPolarHBondContact O-CG 3.38Å; S148-E152 PolarHBondContact O-N 3.48Å | ||
| 149 | A | 84.5 | Confident | 88.7 | Confident | 83 Ų | 83 | 49 Ų | 49 | 69% | 0.686 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -63.8 | -30.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | A153 | A149-A153 WeakPolarHBondContact O-CB 3.29Å; A149-A153 PolarHBondContact O-N 2.96Å; A149-A153 VanDerWaalsContact O-N 3.11Å |
| 150 | S | 86.5 | Confident | 88.9 | Confident | 60 Ų | 60 | 53.4 Ų | 53.4 | 42% | 0.42 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -72 | -43.2 | 175.8 | 59.6 | 0 | 0 | 0 | 0 | 111.6 | S148 A153 I154 | S148-S150 VanDerWaalsContact C-N 3.26Å; S148-S150 PolarHBondContact O-N 3.16Å; S148-S150 PolarHBondContact OG-OG 3.4Å; S148-S150 VanDerWaalsContact OG-OG 3.08Å; S150-A153 WeakPolarHBondContact O-CB 3.45Å; S150-A153 PolarHBondContact O-N 3.09Å; S150-I154 WeakPolarHBondContact O-CG1 3.39Å; S150-I154 PolarHBondContact O-N 3.32Å; S150-I154 VanDerWaalsContact O-N 3.17Å |
| 151 | T | 88.6 | Confident | 89 | Confident | 3 Ų | 3 | 53.3 Ų | 53.3 | 2% | 0.018 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.5 | -43.3 | 177.4 | -53.3 | 0 | 0 | 0 | 0 | 111.1 | Y138 Q141 L142 S148 A153 I154 L155 | Y138-T151 HydrophobicContact CD1-CG2 4.03Å; Q141-T151 HydrophobicContact CB-CG2 4.26Å; Q141-T151 HydrophobicContact CG-CG2 4.45Å; L142-T151 HydrophobicContact CD2-CG2 3.91Å; L142-T151 HydrophobicContact CG-CG2 3.79Å; S148-T151 WeakPolarHBondContact CB-OG1 3.48Å; S148-T151 PolarHBondContact O-N 3.12Å; S148-T151 PolarHBondContact OG-N 3.16Å; S148-T151 PolarHBondContact OG-OG1 3.06Å; S148-T151 VanDerWaalsContact OG-OG1 3.04Å; T151-A153 VanDerWaalsContact C-N 3.3Å; T151-A153 PolarHBondContact O-N 3.47Å; T151-I154 PolarHBondContact O-N 3.06Å; T151-L155 WeakPolarHBondContact O-CB 3.32Å; T151-L155 PolarHBondContact O-N 3.39Å |
| 152 | E | 90.1 | Very high | 89.3 | Confident | 30 Ų | 30 | 52 Ų | 52 | 14% | 0.14 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.1 | -38.3 | 172.9 | -77.1 | -170.7 | -175.5 | 0 | 0 | 112.5 | L142 S148 R156 P204 | L142-E152 HydrophobicContact CD1-CG 4.22Å; L142-E152 HydrophobicContact CD2-CG 4.16Å; S148-E152 WeakPolarHBondContact O-CG 3.38Å; S148-E152 PolarHBondContact O-N 3.48Å; E152-R156 VanDerWaalsContact O-CB 3.3Å; E152-R156 WeakPolarHBondContact O-CB 3.37Å; E152-R156 PolarHBondContact O-N 3.19Å; E152-P204 VanDerWaalsContact OE1-CD 3.32Å; E152-P204 WeakPolarHBondContact OE1-CD 3.27Å; E152-P204 WeakPolarHBondContact OE1-CG 3.38Å |
| 153 | A | 91.4 | Very high | 89.5 | Confident | 48 Ų | 48 | 54.1 Ų | 54.1 | 40% | 0.397 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65.7 | -38 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | A149 S150 T151 A157 | A149-A153 WeakPolarHBondContact O-CB 3.29Å; A149-A153 PolarHBondContact O-N 2.96Å; A149-A153 VanDerWaalsContact O-N 3.11Å; S150-A153 WeakPolarHBondContact O-CB 3.45Å; S150-A153 PolarHBondContact O-N 3.09Å; T151-A153 VanDerWaalsContact C-N 3.3Å; T151-A153 PolarHBondContact O-N 3.47Å; A153-A157 WeakPolarHBondContact O-CB 3.31Å; A153-A157 PolarHBondContact O-N 2.94Å |
| 154 | I | 92.7 | Very high | 89.9 | Confident | 16 Ų | 16 | 49.7 Ų | 49.7 | 8% | 0.082 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -77.3 | -39.4 | 178.5 | -59.2 | 167.7 | 0 | 0 | 0 | 110.9 | E91 V94 Y138 S150 T151 R156 A157 C158 | E91-I154 HydrophobicContact CB-CD1 3.39Å; E91-I154 VanDerWaalsContact CD-CD1 3.45Å; E91-I154 HydrophobicContact CG-CD1 3.36Å; E91-I154 WeakPolarHBondContact OE2-CD1 3.25Å; V94-I154 HydrophobicContact CG1-CG2 4.17Å; Y138-I154 HydrophobicContact CD2-CG2 4.02Å; Y138-I154 HydrophobicContact CE1-CG2 4.19Å; Y138-I154 HydrophobicContact CE2-CB 4.33Å; Y138-I154 HydrophobicContact CE2-CG2 3.37Å; Y138-I154 VanDerWaalsContact CZ-CG2 3.47Å; S150-I154 WeakPolarHBondContact O-CG1 3.39Å; S150-I154 PolarHBondContact O-N 3.32Å; S150-I154 VanDerWaalsContact O-N 3.17Å; T151-I154 PolarHBondContact O-N 3.06Å; I154-R156 VanDerWaalsContact C-N 3.3Å; I154-R156 PolarHBondContact O-N 2.86Å; I154-A157 WeakPolarHBondContact O-CB 3.32Å; I154-A157 PolarHBondContact O-N 3.03Å; I154-A157 VanDerWaalsContact O-N 3.09Å; I154-C158 PolarHBondContact O-N 3.5Å |
| 155 | L | 94.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -54.8 | -47.8 | 170.2 | 175.4 | 58.6 | 0 | 0 | 0 | 110.9 | C135 L142 T151 A157 C158 Q159 V203 L208 I212 | C135-L155 HydrophobicContact CB-CD1 4Å; L142-L155 HydrophobicContact CD1-CD2 3.92Å; T151-L155 WeakPolarHBondContact O-CB 3.32Å; T151-L155 PolarHBondContact O-N 3.39Å; L155-A157 VanDerWaalsContact C-N 3.34Å; L155-A157 PolarHBondContact O-N 3.41Å; L155-C158 PolarHBondContact O-N 2.91Å; L155-Q159 WeakPolarHBondContact O-CB 3.05Å; L155-Q159 PolarHBondContact O-N 3.36Å; L155-V203 HydrophobicContact CD2-CG1 4.49Å; L155-V203 HydrophobicContact CD2-CG2 3.94Å; L155-L208 HydrophobicContact CD2-CD2 4.06Å; L155-L208 HydrophobicContact CG-CD2 4.27Å; L155-I212 HydrophobicContact CD1-CD1 4.3Å; L155-I212 HydrophobicContact CD2-CD1 4.19Å; L155-I212 HydrophobicContact CG-CD1 4.29Å |
| 156 | R | 95.1 | Very high | 90.8 | Very high | 81 Ų | 81 | 36.8 Ų | 36.8 | 31% | 0.306 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -59 | -44.2 | 174 | -174.9 | -179.4 | -63.1 | 119.2 | 5.6 | 111.5 | E152 I154 C158 Q159 E160 N205 L208 | E152-R156 VanDerWaalsContact O-CB 3.3Å; E152-R156 WeakPolarHBondContact O-CB 3.37Å; E152-R156 PolarHBondContact O-N 3.19Å; I154-R156 VanDerWaalsContact C-N 3.3Å; I154-R156 PolarHBondContact O-N 2.86Å; R156-C158 PolarHBondContact O-N 3.46Å; R156-Q159 PolarHBondContact O-N 3.35Å; R156-E160 HydrophobicContact CG-CG 4.24Å; R156-E160 WeakPolarHBondContact CG-OE1 3.36Å; R156-E160 WeakPolarHBondContact O-CB 3.45Å; R156-E160 VanDerWaalsContact O-CG 3.32Å; R156-E160 WeakPolarHBondContact O-CG 3.35Å; R156-E160 PolarHBondContact O-N 2.98Å; R156-N205 PolarHBondContact NH2-ND2 2.85Å; R156-L208 HydrophobicContact CB-CD1 3.92Å; R156-L208 HydrophobicContact CB-CD2 4.46Å; R156-L208 HydrophobicContact CG-CD1 4.09Å |
| 157 | A | 94.9 | Very high | 91.6 | Very high | 20 Ų | 20 | 40.4 Ų | 40.4 | 17% | 0.165 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.3 | -44.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L98 A153 I154 L155 R161 | L98-A157 HydrophobicContact CD1-CB 3.71Å; A153-A157 WeakPolarHBondContact O-CB 3.31Å; A153-A157 PolarHBondContact O-N 2.94Å; I154-A157 WeakPolarHBondContact O-CB 3.32Å; I154-A157 PolarHBondContact O-N 3.03Å; I154-A157 VanDerWaalsContact O-N 3.09Å; L155-A157 VanDerWaalsContact C-N 3.34Å; L155-A157 PolarHBondContact O-N 3.41Å; A157-R161 WeakPolarHBondContact O-CD 3.5Å; A157-R161 PolarHBondContact O-N 3.49Å; A157-R161 PolarHBondContact O-NH1 3.47Å |
| 158 | C | 95.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.7 | -47.8 | 174 | -70.5 | 0 | 0 | 0 | 0 | 111.5 | I154 L155 R156 R161 L162 | I154-C158 PolarHBondContact O-N 3.5Å; L155-C158 PolarHBondContact O-N 2.91Å; R156-C158 PolarHBondContact O-N 3.46Å; C158-R161 PolarHBondContact O-N 3.42Å; C158-L162 PolarHBondContact O-N 2.89Å |
| 159 | Q | 95.1 | Very high | 92.4 | Very high | 8 Ų | 8 | 38 Ų | 38 | 4% | 0.037 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.8 | -46.8 | 179.5 | 179.4 | -85.6 | -52.8 | 0 | 0 | 112.2 | L155 R156 R161 L162 H163 S211 I212 T215 | L155-Q159 WeakPolarHBondContact O-CB 3.05Å; L155-Q159 PolarHBondContact O-N 3.36Å; R156-Q159 PolarHBondContact O-N 3.35Å; Q159-R161 VanDerWaalsContact C-N 3.32Å; Q159-R161 PolarHBondContact O-N 3.03Å; Q159-L162 PolarHBondContact O-N 3.31Å; Q159-H163 WeakPolarHBondContact O-CB 3.45Å; Q159-H163 PolarHBondContact O-N 3.27Å; Q159-S211 PolarHBondContact NE2-OG 3.25Å; Q159-S211 PolarHBondContact OE1-OG 2.91Å; Q159-I212 HydrophobicContact CB-CG1 4.24Å; Q159-I212 HydrophobicContact CG-CB 4.48Å; Q159-I212 HydrophobicContact CG-CG1 3.74Å; Q159-T215 PolarHBondContact NE2-OG1 3.36Å |
| 160 | E | 95.1 | Very high | 92.8 | Very high | 93 Ų | 93 | 35.7 Ų | 35.7 | 44% | 0.435 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -58.7 | -41 | 179.2 | -77.2 | 173.2 | 178.8 | 0 | 0 | 112.1 | R156 G164 | R156-E160 HydrophobicContact CG-CG 4.24Å; R156-E160 WeakPolarHBondContact CG-OE1 3.36Å; R156-E160 WeakPolarHBondContact O-CB 3.45Å; R156-E160 VanDerWaalsContact O-CG 3.32Å; R156-E160 WeakPolarHBondContact O-CG 3.35Å; R156-E160 PolarHBondContact O-N 2.98Å; E160-G164 PolarHBondContact O-N 3.38Å |
| 161 | R | 94.2 | Very high | 93.1 | Very high | 53 Ų | 53 | 33 Ų | 33 | 20% | 0.2 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -72.3 | -38.8 | 178.9 | -82.9 | 77.3 | -171.2 | 160.3 | -2.7 | 111.1 | L98 D102 L131 A157 C158 Q159 G164 L165 | L98-R161 HydrophobicContact CD2-CB 4.31Å; L98-R161 HydrophobicContact CD2-CG 4.25Å; D102-R161 IonicContact OD1-CZ 3.83Å; D102-R161 IonicContact OD1-NE 3.22Å; D102-R161 PolarHBondContact OD1-NE 3.38Å; D102-R161 IonicContact OD1-NH2 3.75Å; D102-R161 IonicContact OD2-CZ 3.14Å; D102-R161 IonicContact OD2-NE 3.8Å; D102-R161 PolarHBondContact OD2-NE 3.36Å; D102-R161 IonicContact OD2-NH2 2.94Å; D102-R161 PolarHBondContact OD2-NH2 2.93Å; L131-R161 HydrophobicContact CD1-CB 4.36Å; L131-R161 HydrophobicContact CD2-CB 4.28Å; A157-R161 WeakPolarHBondContact O-CD 3.5Å; A157-R161 PolarHBondContact O-N 3.49Å; A157-R161 PolarHBondContact O-NH1 3.47Å; C158-R161 PolarHBondContact O-N 3.42Å; Q159-R161 VanDerWaalsContact C-N 3.32Å; Q159-R161 PolarHBondContact O-N 3.03Å; R161-G164 PolarHBondContact O-N 3.48Å; R161-L165 WeakPolarHBondContact O-CG 3.36Å; R161-L165 PolarHBondContact O-N 2.9Å |
| 162 | L | 95.5 | Very high | 93.4 | Very high | 3 Ų | 3 | 34.1 Ų | 34.1 | 2% | 0.016 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.9 | -46.5 | 174.3 | -178.5 | 60 | 0 | 0 | 0 | 110.9 | V128 L131 L132 C158 Q159 L165 M166 T215 V219 | V128-L162 HydrophobicContact CB-CD1 4.49Å; V128-L162 HydrophobicContact CG1-CD1 4.09Å; V128-L162 HydrophobicContact CG2-CD1 4.32Å; L131-L162 HydrophobicContact CB-CB 4.18Å; L131-L162 HydrophobicContact CB-CD1 4.26Å; L131-L162 HydrophobicContact CD1-CB 3.99Å; L131-L162 HydrophobicContact CD1-CD1 4.22Å; L132-L162 HydrophobicContact CD2-CD2 3.58Å; L132-L162 HydrophobicContact CG-CD2 3.95Å; C158-L162 PolarHBondContact O-N 2.89Å; Q159-L162 PolarHBondContact O-N 3.31Å; L162-L165 PolarHBondContact O-N 3.39Å; L162-M166 HydrophobicContact CD1-CG 4.02Å; L162-M166 WeakPolarHBondContact O-CB 3.44Å; L162-M166 WeakPolarHBondContact O-CG 3.37Å; L162-M166 PolarHBondContact O-N 3.47Å; L162-T215 HydrophobicContact CB-CG2 4.04Å; L162-T215 HydrophobicContact CD2-CG2 3.72Å; L162-T215 HydrophobicContact CG-CG2 3.61Å; L162-V219 HydrophobicContact CD1-CG2 4.44Å |
| 163 | H | 94.8 | Very high | 93.5 | Very high | 52 Ų | 52 | 32.7 Ų | 32.7 | 24% | 0.241 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.5 | -49.5 | 176 | -172.5 | 94.3 | 0 | 0 | 0 | 111.3 | Q159 L165 M166 N167 T215 | Q159-H163 WeakPolarHBondContact O-CB 3.45Å; Q159-H163 PolarHBondContact O-N 3.27Å; H163-L165 VanDerWaalsContact C-N 3.29Å; H163-L165 PolarHBondContact O-N 3.08Å; H163-M166 PolarHBondContact O-N 3.45Å; H163-M166 VanDerWaalsContact O-N 3.16Å; H163-N167 VanDerWaalsContact O-CB 3.28Å; H163-N167 WeakPolarHBondContact O-CB 3.46Å; H163-N167 PolarHBondContact O-N 2.96Å; H163-T215 HydrophobicContact CB-CG2 4.04Å; H163-T215 PolarHBondContact ND1-OG1 3.15Å |
| 164 | G | 93 | Very high | 93.6 | Very high | 48 Ų | 48 | 30.4 Ų | 30.4 | 50% | 0.495 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -57.3 | -40.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113 | E160 R161 | E160-G164 PolarHBondContact O-N 3.38Å; R161-G164 PolarHBondContact O-N 3.48Å |
| 165 | L | 93.1 | Very high | 93.7 | Very high | 3 Ų | 3 | 29.7 Ų | 29.7 | 2% | 0.016 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -67.3 | -46.8 | 174.8 | -72.5 | 175.1 | 0 | 0 | 0 | 112 | M101 C105 L108 L124 V127 L131 R161 L162 H163 N171 | M101-L165 HydrophobicContact CE-CD1 3.8Å; C105-L165 HydrophobicContact CB-CD2 4.12Å; L108-L165 HydrophobicContact CD1-CD2 3.76Å; L124-L165 HydrophobicContact CD1-CD1 4.39Å; L124-L165 HydrophobicContact CD1-CD2 4.24Å; V127-L165 HydrophobicContact CG1-CD1 4.35Å; L131-L165 HydrophobicContact CD1-CD1 3.88Å; R161-L165 WeakPolarHBondContact O-CG 3.36Å; R161-L165 PolarHBondContact O-N 2.9Å; L162-L165 PolarHBondContact O-N 3.39Å; H163-L165 VanDerWaalsContact C-N 3.29Å; H163-L165 PolarHBondContact O-N 3.08Å; L165-N171 WeakPolarHBondContact O-CB 3.39Å; L165-N171 PolarHBondContact O-ND2 3.09Å |
| 166 | M | 93.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -83.7 | -14.5 | -172.2 | -63.3 | -60.2 | 97.8 | 0 | 0 | 114.3 | V128 L162 H163 S168 N171 K172 V175 L218 V219 I222 | V128-M166 HydrophobicContact CG2-CE 3.53Å; V128-M166 HydrophobicContact CG2-SD 3.99Å; L162-M166 HydrophobicContact CD1-CG 4.02Å; L162-M166 WeakPolarHBondContact O-CB 3.44Å; L162-M166 WeakPolarHBondContact O-CG 3.37Å; L162-M166 PolarHBondContact O-N 3.47Å; H163-M166 PolarHBondContact O-N 3.45Å; H163-M166 VanDerWaalsContact O-N 3.16Å; M166-S168 PolarHBondContact O-N 2.97Å; M166-N171 HydrophobicContact CE-CB 4.37Å; M166-K172 WeakPolarHBondContact O-CD 3.35Å; M166-K172 WeakPolarHBondContact O-CE 3.34Å; M166-K172 VanDerWaalsContact O-CG 3.22Å; M166-K172 WeakPolarHBondContact O-CG 3.44Å; M166-K172 HydrophobicContact SD-CG 4.37Å; M166-V175 HydrophobicContact CE-CG2 4.05Å; M166-L218 HydrophobicContact CB-CB 4.12Å; M166-L218 HydrophobicContact CB-CD1 4.48Å; M166-V219 HydrophobicContact CG-CG2 3.96Å; M166-I222 HydrophobicContact SD-CD1 3.75Å |
| 167 | N | 91.8 | Very high | 93.5 | Very high | 100 Ų | 100 | 26.2 Ų | 26.2 | 54% | 0.535 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -67 | -28.7 | 172.8 | -163.3 | 19.3 | 0 | 0 | 0 | 111.3 | H163 T169 | H163-N167 VanDerWaalsContact O-CB 3.28Å; H163-N167 WeakPolarHBondContact O-CB 3.46Å; H163-N167 PolarHBondContact O-N 2.96Å; N167-T169 PolarHBondContact O-N 2.88Å |
| 168 | S | 91.1 | Very high | 93.5 | Very high | 40 Ų | 40 | 25.3 Ų | 25.3 | 28% | 0.28 | 14% | 0.14 | S | C | . | . | trans | -71.2 | 120 | 174.5 | 173.2 | 0 | 0 | 0 | 0 | 112.1 | M166 K170 N171 K172 | M166-S168 PolarHBondContact O-N 2.97Å; S168-K170 PolarHBondContact O-N 3.17Å; S168-K170 PolarHBondContact OG-N 3.33Å; S168-N171 PolarHBondContact O-N 3.43Å; S168-N171 PolarHBondContact OG-N 3.14Å; S168-K172 PolarHBondContact O-N 3.02Å | ||
| 169 | T | 90.3 | Very high | 93.4 | Very high | 58 Ų | 58 | 28.4 Ų | 28.4 | 36% | 0.356 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -61.3 | -31.6 | 173.6 | -61.4 | 0 | 0 | 0 | 0 | 111.9 | N167 A173 M225 P964 K965 | N167-T169 PolarHBondContact O-N 2.88Å; T169-A173 WeakPolarHBondContact O-CB 3.24Å; T169-A173 PolarHBondContact O-N 3.27Å; T169-A173 VanDerWaalsContact O-N 3.09Å; T169-M225 HydrophobicContact CG2-CE 4.08Å; T169-P964 HydrophobicContact CG2-CB 4.37Å; T169-P964 HydrophobicContact CG2-CG 4.48Å; T169-K965 HydrophobicContact CG2-CG 4.05Å |
| 170 | K | 92.3 | Very high | 93.2 | Very high | 33 Ų | 33 | 30.8 Ų | 30.8 | 14% | 0.143 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.2 | -51.9 | 174.1 | 176.7 | 174.1 | 68.5 | 175.1 | 0 | 111.1 | L108 N109 S168 K172 A173 L174 P964 I986 L989 | L108-K170 PolarHBondContact O-NZ 3.44Å; N109-K170 PolarHBondContact OD1-NZ 3.03Å; S168-K170 PolarHBondContact O-N 3.17Å; S168-K170 PolarHBondContact OG-N 3.33Å; K170-K172 PolarHBondContact O-N 3.13Å; K170-A173 WeakPolarHBondContact O-CB 3.47Å; K170-A173 PolarHBondContact O-N 3.36Å; K170-A173 VanDerWaalsContact O-N 3.08Å; K170-L174 HydrophobicContact CG-CD1 4.42Å; K170-L174 PolarHBondContact O-N 3.12Å; K170-P964 HydrophobicContact CB-CG 4.04Å; K170-I986 WeakPolarHBondContact CD-O 3.37Å; K170-I986 HydrophobicContact CG-CG2 3.79Å; K170-L989 WeakPolarHBondContact CD-OXT 3.17Å; K170-L989 PolarHBondContact NZ-OXT 2.96Å |
| 171 | N | 93.2 | Very high | 92.9 | Very high | 5 Ų | 5 | 28.6 Ų | 28.6 | 3% | 0.027 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.5 | -43.3 | -177.6 | -67.5 | -4.2 | 0 | 0 | 0 | 111.2 | L124 L165 M166 S168 A173 L174 V175 | L124-N171 HydrophobicContact CD2-CB 4.05Å; L165-N171 WeakPolarHBondContact O-CB 3.39Å; L165-N171 PolarHBondContact O-ND2 3.09Å; M166-N171 HydrophobicContact CE-CB 4.37Å; S168-N171 PolarHBondContact O-N 3.43Å; S168-N171 PolarHBondContact OG-N 3.14Å; N171-A173 PolarHBondContact O-N 2.97Å; N171-L174 PolarHBondContact O-N 2.98Å; N171-L174 VanDerWaalsContact O-N 3.16Å; N171-V175 WeakPolarHBondContact O-CG2 3.5Å; N171-V175 PolarHBondContact O-N 3.39Å |
| 172 | K | 93.1 | Very high | 92.6 | Very high | 25 Ų | 25 | 29 Ų | 29 | 11% | 0.109 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -56.5 | -40.3 | 173.4 | -71.8 | -172 | -74.9 | -162.1 | 0 | 112 | M166 S168 K170 V175 H176 I222 M225 | M166-K172 WeakPolarHBondContact O-CD 3.35Å; M166-K172 WeakPolarHBondContact O-CE 3.34Å; M166-K172 VanDerWaalsContact O-CG 3.22Å; M166-K172 WeakPolarHBondContact O-CG 3.44Å; M166-K172 HydrophobicContact SD-CG 4.37Å; S168-K172 PolarHBondContact O-N 3.02Å; K170-K172 PolarHBondContact O-N 3.13Å; K172-V175 PolarHBondContact O-N 2.88Å; K172-H176 WeakPolarHBondContact O-CB 3.43Å; K172-H176 PolarHBondContact O-N 3.33Å; K172-I222 HydrophobicContact CB-CG1 4.24Å; K172-I222 HydrophobicContact CD-CG1 4.37Å; K172-I222 HydrophobicContact CG-CG1 4.1Å; K172-M225 HydrophobicContact CB-CE 3.69Å; K172-M225 HydrophobicContact CB-SD 3.48Å; K172-M225 WeakPolarHBondContact CB-SD 3.38Å; K172-M225 VanDerWaalsContact O-SD 3.34Å |
| 173 | A | 92.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67.9 | -38.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | T169 K170 N171 H176 I177 M225 P964 L968 I986 | T169-A173 WeakPolarHBondContact O-CB 3.24Å; T169-A173 PolarHBondContact O-N 3.27Å; T169-A173 VanDerWaalsContact O-N 3.09Å; K170-A173 WeakPolarHBondContact O-CB 3.47Å; K170-A173 PolarHBondContact O-N 3.36Å; K170-A173 VanDerWaalsContact O-N 3.08Å; N171-A173 PolarHBondContact O-N 2.97Å; A173-H176 WeakPolarHBondContact O-CB 3.42Å; A173-H176 PolarHBondContact O-N 3.06Å; A173-I177 WeakPolarHBondContact O-CG1 3.45Å; A173-I177 PolarHBondContact O-N 3.24Å; A173-M225 HydrophobicContact CB-CE 3.86Å; A173-M225 HydrophobicContact CB-SD 4.46Å; A173-P964 HydrophobicContact CB-CB 3.66Å; A173-L968 HydrophobicContact CB-CD1 3.66Å; A173-L968 HydrophobicContact CB-CG 4.15Å; A173-I986 HydrophobicContact CB-CD1 3.86Å; A173-I986 HydrophobicContact CB-CG2 4.2Å |
| 174 | L | 94.1 | Very high | 91.8 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.5 | -41.6 | 173.5 | -64.3 | 176.2 | 0 | 0 | 0 | 111.7 | L120 L124 K170 N171 H176 I177 A178 I986 | L120-L174 HydrophobicContact CD2-CD1 4.43Å; L124-L174 HydrophobicContact CD2-CB 3.96Å; L124-L174 HydrophobicContact CD2-CD1 4.41Å; K170-L174 HydrophobicContact CG-CD1 4.42Å; K170-L174 PolarHBondContact O-N 3.12Å; N171-L174 PolarHBondContact O-N 2.98Å; N171-L174 VanDerWaalsContact O-N 3.16Å; L174-H176 VanDerWaalsContact C-N 3.34Å; L174-I177 PolarHBondContact O-N 3.02Å; L174-A178 PolarHBondContact O-N 3.01Å; L174-I986 HydrophobicContact CD2-CB 4.01Å; L174-I986 HydrophobicContact CD2-CG2 3.69Å; L174-I986 HydrophobicContact CG-CG2 3.95Å |
| 175 | V | 94.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.1 | -37.9 | 173.9 | 179 | 0 | 0 | 0 | 0 | 111.3 | L124 L125 V128 M166 N171 K172 I177 A178 R179 W186 I222 | L124-V175 HydrophobicContact CB-CG2 4.49Å; L124-V175 HydrophobicContact CD2-CG2 3.69Å; L124-V175 HydrophobicContact CG-CG2 3.73Å; L125-V175 HydrophobicContact CD1-CG1 3.95Å; V128-V175 HydrophobicContact CG2-CG2 4.33Å; M166-V175 HydrophobicContact CE-CG2 4.05Å; N171-V175 WeakPolarHBondContact O-CG2 3.5Å; N171-V175 PolarHBondContact O-N 3.39Å; K172-V175 PolarHBondContact O-N 2.88Å; V175-I177 VanDerWaalsContact C-N 3.31Å; V175-I177 PolarHBondContact O-N 3.38Å; V175-A178 WeakPolarHBondContact O-CB 3.42Å; V175-A178 PolarHBondContact O-N 3.32Å; V175-R179 PolarHBondContact O-N 3.29Å; V175-W186 HydrophobicContact CG1-CZ3 4.07Å; V175-I222 HydrophobicContact CB-CD1 4.22Å; V175-I222 HydrophobicContact CB-CG2 4.46Å; V175-I222 HydrophobicContact CG1-CD1 3.84Å; V175-I222 HydrophobicContact CG1-CG2 4.25Å |
| 176 | H | 93.6 | Very high | 91.5 | Very high | 8 Ų | 8 | 32.9 Ų | 32.9 | 4% | 0.037 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.5 | -42.1 | 174 | -174.9 | 88.1 | 0 | 0 | 0 | 111.8 | K172 A173 L174 R179 L180 I222 M225 L968 | K172-H176 WeakPolarHBondContact O-CB 3.43Å; K172-H176 PolarHBondContact O-N 3.33Å; A173-H176 WeakPolarHBondContact O-CB 3.42Å; A173-H176 PolarHBondContact O-N 3.06Å; L174-H176 VanDerWaalsContact C-N 3.34Å; H176-R179 PolarHBondContact O-N 3.41Å; H176-L180 PolarHBondContact O-N 3.06Å; H176-I222 HydrophobicContact CB-CG2 3.87Å; H176-I222 PolarHBondContact ND1-O 2.92Å; H176-M225 HydrophobicContact CB-SD 4.15Å; H176-L968 HydrophobicContact CB-CD1 4.42Å |
| 177 | I | 93.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.2 | -44.7 | 174.2 | -65 | 165.6 | 0 | 0 | 0 | 110.6 | I118 A173 L174 V175 R179 L180 E181 L968 R979 A982 A983 I986 | I118-I177 HydrophobicContact CD1-CG2 3.98Å; A173-I177 WeakPolarHBondContact O-CG1 3.45Å; A173-I177 PolarHBondContact O-N 3.24Å; L174-I177 PolarHBondContact O-N 3.02Å; V175-I177 VanDerWaalsContact C-N 3.31Å; V175-I177 PolarHBondContact O-N 3.38Å; I177-R179 VanDerWaalsContact C-N 3.31Å; I177-R179 PolarHBondContact O-N 2.74Å; I177-L180 PolarHBondContact O-N 3.45Å; I177-L180 VanDerWaalsContact O-N 3.14Å; I177-E181 PolarHBondContact O-N 3.48Å; I177-E181 VanDerWaalsContact O-N 3.07Å; I177-L968 HydrophobicContact CD1-CD2 3.76Å; I177-L968 HydrophobicContact CG1-CD2 3.6Å; I177-R979 HydrophobicContact CG2-CB 4.02Å; I177-R979 HydrophobicContact CG2-CG 4.45Å; I177-A982 HydrophobicContact CD1-CB 3.77Å; I177-A982 HydrophobicContact CG1-CB 4.49Å; I177-A983 HydrophobicContact CD1-CB 4.19Å; I177-A983 HydrophobicContact CG2-CB 4.45Å; I177-I986 HydrophobicContact CD1-CD1 4.04Å |
| 178 | A | 93.8 | Very high | 91.5 | Very high | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.008 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.3 | -42.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112.2 | C121 L125 L174 V175 L180 E181 D182 | C121-A178 HydrophobicContact CB-CB 3.95Å; C121-A178 VanDerWaalsContact O-CB 3.28Å; C121-A178 WeakPolarHBondContact O-CB 3.26Å; L125-A178 HydrophobicContact CB-CB 3.74Å; L125-A178 HydrophobicContact CD2-CB 3.84Å; L125-A178 HydrophobicContact CG-CB 4.38Å; L174-A178 PolarHBondContact O-N 3.01Å; V175-A178 WeakPolarHBondContact O-CB 3.42Å; V175-A178 PolarHBondContact O-N 3.32Å; A178-L180 VanDerWaalsContact C-N 3.29Å; A178-L180 PolarHBondContact O-N 2.96Å; A178-E181 PolarHBondContact O-N 3.47Å; A178-E181 VanDerWaalsContact O-N 3.12Å; A178-D182 PolarHBondContact O-N 3.22Å |
| 179 | R | 93 | Very high | 91.6 | Very high | 65 Ų | 65 | 31.3 Ų | 31.3 | 25% | 0.245 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -55.8 | -41.6 | 174.9 | 167.2 | -178.8 | -177.4 | -114.5 | -0.7 | 112.7 | V175 H176 I177 E181 D182 P183 W186 | V175-R179 PolarHBondContact O-N 3.29Å; H176-R179 PolarHBondContact O-N 3.41Å; I177-R179 VanDerWaalsContact C-N 3.31Å; I177-R179 PolarHBondContact O-N 2.74Å; R179-E181 VanDerWaalsContact C-N 3.34Å; R179-D182 CarbonylContact O-C 3.6Å; R179-P183 WeakPolarHBondContact O-CA 3.49Å; R179-W186 HydrophobicContact CB-CB 4.24Å; R179-W186 HydrophobicContact CB-CD2 4.07Å; R179-W186 HydrophobicContact CB-CE3 3.9Å; R179-W186 HydrophobicContact CB-CG 4.21Å; R179-W186 VanDerWaalsContact CD-CD2 3.43Å; R179-W186 HydrophobicContact CG-CB 3.83Å; R179-W186 HydrophobicContact CG-CD2 3.69Å; R179-W186 HydrophobicContact CG-CE3 4.04Å; R179-W186 HydrophobicContact CG-CG 3.55Å |
| 180 | L | 90.7 | Very high | 91.8 | Very high | 59 Ų | 59 | 32.9 Ų | 32.9 | 31% | 0.309 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -75.9 | -25.3 | 179.6 | -63.8 | 177.2 | 0 | 0 | 0 | 112.6 | H176 I177 A178 L973 | H176-L180 PolarHBondContact O-N 3.06Å; I177-L180 PolarHBondContact O-N 3.45Å; I177-L180 VanDerWaalsContact O-N 3.14Å; A178-L180 VanDerWaalsContact C-N 3.29Å; A178-L180 PolarHBondContact O-N 2.96Å; L180-L973 HydrophobicContact CD1-CB 3.64Å; L180-L973 HydrophobicContact CD1-CD1 3.85Å; L180-L973 HydrophobicContact CD1-CG 4.34Å |
| 181 | E | 90.1 | Very high | 91.9 | Very high | 46 Ų | 46 | 37.8 Ų | 37.8 | 22% | 0.215 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -82.9 | -35.1 | 179 | -175.1 | 65.2 | -175.1 | 0 | 0 | 112.5 | I118 R122 I177 A178 R179 R979 | I118-E181 HydrophobicContact CG2-CG 4.29Å; R122-E181 IonicContact NH2-OE1 3.86Å; R122-E181 PolarHBondContact NH2-OE1 3.06Å; I177-E181 PolarHBondContact O-N 3.48Å; I177-E181 VanDerWaalsContact O-N 3.07Å; A178-E181 PolarHBondContact O-N 3.47Å; A178-E181 VanDerWaalsContact O-N 3.12Å; R179-E181 VanDerWaalsContact C-N 3.34Å; E181-R979 IonicContact OE2-CZ 3.23Å; E181-R979 VanDerWaalsContact OE2-CZ 3.24Å; E181-R979 IonicContact OE2-NE 3.34Å; E181-R979 PolarHBondContact OE2-NE 3.45Å; E181-R979 IonicContact OE2-NH2 3.18Å; E181-R979 PolarHBondContact OE2-NH2 3.33Å |
| 182 | D | 86.7 | Confident | 91.9 | Very high | 61 Ų | 61 | 38.3 Ų | 38.3 | 33% | 0.326 | 22% | 0.216 | S | C | . | . | trans | -136.1 | 86 | 175.8 | -178.5 | 7.6 | 0 | 0 | 0 | 110.9 | A178 R179 G184 S185 | A178-D182 PolarHBondContact O-N 3.22Å; R179-D182 CarbonylContact O-C 3.6Å; D182-G184 PolarHBondContact O-N 3.44Å; D182-G184 PolarHBondContact OD1-N 3.49Å; D182-S185 PolarHBondContact O-N 2.8Å; D182-S185 PolarHBondContact OD1-N 2.97Å; D182-S185 VanDerWaalsContact OD2-CB 3.28Å; D182-S185 WeakPolarHBondContact OD2-CB 3.33Å; D182-S185 PolarHBondContact OD2-OG 2.97Å | ||
| 183 | P | 86.6 | Confident | 92 | Very high | 92 Ų | 92 | 37.9 Ų | 37.9 | 60% | 0.597 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -60.8 | -27.5 | 179.2 | -24 | 34.3 | 0 | 0 | 0 | 113.7 | R179 W186 G187 | R179-P183 WeakPolarHBondContact O-CA 3.49Å; P183-W186 PolarHBondContact O-N 2.76Å; P183-G187 PolarHBondContact O-N 3.42Å |
| 184 | G | 88.2 | Confident | 92 | Very high | 48 Ų | 48 | 42.7 Ų | 42.7 | 50% | 0.495 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -65.6 | -45.4 | 180 | 0 | 0 | 0 | 0 | 0 | 111.8 | D182 W186 G187 N188 | D182-G184 PolarHBondContact O-N 3.44Å; D182-G184 PolarHBondContact OD1-N 3.49Å; G184-W186 PolarHBondContact O-N 2.85Å; G184-G187 PolarHBondContact O-N 2.96Å; G184-G187 VanDerWaalsContact O-N 3.07Å; G184-N188 PolarHBondContact O-N 3.42Å |
| 185 | S | 87.3 | Confident | 92 | Very high | 38 Ų | 38 | 44.6 Ų | 44.6 | 27% | 0.266 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.7 | -27.8 | 175.6 | -73.1 | 0 | 0 | 0 | 0 | 113.5 | D182 N188 | D182-S185 PolarHBondContact O-N 2.8Å; D182-S185 PolarHBondContact OD1-N 2.97Å; D182-S185 VanDerWaalsContact OD2-CB 3.28Å; D182-S185 WeakPolarHBondContact OD2-CB 3.33Å; D182-S185 PolarHBondContact OD2-OG 2.97Å; S185-N188 PolarHBondContact O-N 3.05Å |
| 186 | W | 92.7 | Very high | 92 | Very high | 10 Ų | 10 | 44.6 Ų | 44.6 | 4% | 0.038 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -72.2 | -34 | 173 | -176.3 | -98 | 0 | 0 | 0 | 112.8 | L125 V175 R179 P183 G184 N188 V189 E190 V219 I222 P223 | L125-W186 HydrophobicContact CD1-CE3 4.1Å; V175-W186 HydrophobicContact CG1-CZ3 4.07Å; R179-W186 HydrophobicContact CB-CB 4.24Å; R179-W186 HydrophobicContact CB-CD2 4.07Å; R179-W186 HydrophobicContact CB-CE3 3.9Å; R179-W186 HydrophobicContact CB-CG 4.21Å; R179-W186 VanDerWaalsContact CD-CD2 3.43Å; R179-W186 HydrophobicContact CG-CB 3.83Å; R179-W186 HydrophobicContact CG-CD2 3.69Å; R179-W186 HydrophobicContact CG-CE3 4.04Å; R179-W186 HydrophobicContact CG-CG 3.55Å; P183-W186 PolarHBondContact O-N 2.76Å; G184-W186 PolarHBondContact O-N 2.85Å; W186-N188 PolarHBondContact O-N 2.73Å; W186-V189 HydrophobicContact CD2-CB 4.43Å; W186-V189 HydrophobicContact CE3-CB 4.19Å; W186-V189 HydrophobicContact CE3-CG1 4.35Å; W186-V189 HydrophobicContact CE3-CG2 4.07Å; W186-V189 HydrophobicContact CH2-CG1 4.19Å; W186-V189 HydrophobicContact CZ3-CB 4.4Å; W186-V189 HydrophobicContact CZ3-CG1 4.06Å; W186-V189 HydrophobicContact CZ3-CG2 4.36Å; W186-V189 WeakPolarHBondContact O-CA 3.42Å; W186-V189 VanDerWaalsContact O-CB 3.29Å; W186-V189 WeakPolarHBondContact O-CB 3.42Å; W186-V189 PolarHBondContact O-N 2.85Å; W186-E190 VanDerWaalsContact NE1-CD 3.35Å; W186-E190 PolarHBondContact NE1-OE1 3.24Å; W186-E190 PolarHBondContact O-N 3.49Å; W186-E190 VanDerWaalsContact O-N 3.1Å; W186-V219 HydrophobicContact CH2-CG1 4.42Å; W186-I222 HydrophobicContact CH2-CB 3.97Å; W186-I222 HydrophobicContact CH2-CD1 4.33Å; W186-I222 HydrophobicContact CH2-CG2 4.21Å; W186-I222 HydrophobicContact CZ3-CB 4.46Å; W186-I222 HydrophobicContact CZ3-CD1 4.38Å; W186-I222 HydrophobicContact CZ3-CG2 4.29Å; W186-P223 HydrophobicContact CH2-CG 4.2Å; W186-P223 HydrophobicContact CZ2-CG 3.48Å; W186-P223 VanDerWaalsContact CZ2-CG 3.48Å |
| 187 | G | 91.3 | Very high | 92 | Very high | 31 Ų | 31 | 46.6 Ų | 46.6 | 32% | 0.32 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -55.7 | -39.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | P183 G184 V189 E190 E191 | P183-G187 PolarHBondContact O-N 3.42Å; G184-G187 PolarHBondContact O-N 2.96Å; G184-G187 VanDerWaalsContact O-N 3.07Å; G187-V189 VanDerWaalsContact C-N 3.31Å; G187-V189 PolarHBondContact O-N 3.01Å; G187-E190 PolarHBondContact O-N 2.7Å; G187-E191 PolarHBondContact O-N 3.08Å |
| 188 | N | 92.6 | Very high | 91.9 | Very high | 77 Ų | 77 | 52 Ų | 52 | 41% | 0.412 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64 | -34.2 | 174.9 | -61.2 | -14.3 | 0 | 0 | 0 | 112.6 | V129 G184 S185 W186 T192 | V129-N188 HydrophobicContact CG1-CB 4.26Å; V129-N188 HydrophobicContact CG2-CB 4.42Å; G184-N188 PolarHBondContact O-N 3.42Å; S185-N188 PolarHBondContact O-N 3.05Å; W186-N188 PolarHBondContact O-N 2.73Å; N188-T192 VanDerWaalsContact O-CB 3.27Å; N188-T192 WeakPolarHBondContact O-CB 3.42Å; N188-T192 PolarHBondContact O-N 3.35Å; N188-T192 PolarHBondContact O-OG1 3.48Å |
| 189 | V | 93.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.3 | -48 | 173.6 | 176 | 0 | 0 | 0 | 0 | 109.9 | L125 V129 L132 W186 G187 T192 M193 V219 | L125-V189 HydrophobicContact CD1-CG2 3.69Å; V129-V189 HydrophobicContact CG2-CG2 3.39Å; L132-V189 HydrophobicContact CD1-CG1 3.8Å; W186-V189 HydrophobicContact CD2-CB 4.43Å; W186-V189 HydrophobicContact CE3-CB 4.19Å; W186-V189 HydrophobicContact CE3-CG1 4.35Å; W186-V189 HydrophobicContact CE3-CG2 4.07Å; W186-V189 HydrophobicContact CH2-CG1 4.19Å; W186-V189 HydrophobicContact CZ3-CB 4.4Å; W186-V189 HydrophobicContact CZ3-CG1 4.06Å; W186-V189 HydrophobicContact CZ3-CG2 4.36Å; W186-V189 WeakPolarHBondContact O-CA 3.42Å; W186-V189 VanDerWaalsContact O-CB 3.29Å; W186-V189 WeakPolarHBondContact O-CB 3.42Å; W186-V189 PolarHBondContact O-N 2.85Å; G187-V189 VanDerWaalsContact C-N 3.31Å; G187-V189 PolarHBondContact O-N 3.01Å; V189-T192 PolarHBondContact O-N 2.64Å; V189-M193 HydrophobicContact CG1-CG 4.36Å; V189-M193 WeakPolarHBondContact O-CB 3.44Å; V189-M193 VanDerWaalsContact O-CG 3.28Å; V189-M193 WeakPolarHBondContact O-CG 3.49Å; V189-M193 PolarHBondContact O-N 2.84Å; V189-V219 HydrophobicContact CG1-CG1 3.76Å |
| 190 | E | 93.4 | Very high | 91.5 | Very high | 90 Ų | 90 | 49.5 Ų | 49.5 | 42% | 0.421 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.7 | -47.1 | -179.1 | -68.6 | 178.5 | 163 | 0 | 0 | 111.7 | W186 G187 M193 I194 | W186-E190 VanDerWaalsContact NE1-CD 3.35Å; W186-E190 PolarHBondContact NE1-OE1 3.24Å; W186-E190 PolarHBondContact O-N 3.49Å; W186-E190 VanDerWaalsContact O-N 3.1Å; G187-E190 PolarHBondContact O-N 2.7Å; E190-M193 PolarHBondContact O-N 3.13Å; E190-I194 WeakPolarHBondContact O-CG1 3.27Å; E190-I194 PolarHBondContact O-N 3.4Å; E190-I194 VanDerWaalsContact O-N 3.13Å |
| 191 | E | 94.2 | Very high | 91.3 | Very high | 137 Ų | 137 | 51.7 Ų | 51.7 | 64% | 0.64 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -60.6 | -47.7 | 176.7 | -174.6 | 177.4 | -170.4 | 0 | 0 | 111.8 | G187 M193 I194 A195 | G187-E191 PolarHBondContact O-N 3.08Å; E191-M193 VanDerWaalsContact C-N 3.35Å; E191-M193 PolarHBondContact O-N 2.92Å; E191-I194 WeakPolarHBondContact O-CB 3.27Å; E191-I194 PolarHBondContact O-N 3.21Å; E191-A195 PolarHBondContact O-N 3.35Å; E191-A195 VanDerWaalsContact O-N 3.09Å |
| 192 | T | 93.8 | Very high | 91.1 | Very high | 16 Ų | 16 | 52 Ų | 52 | 10% | 0.098 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -68.5 | -35.1 | -179.5 | -48.7 | 0 | 0 | 0 | 0 | 111.5 | L132 Q133 A136 N188 V189 I194 A195 V196 | L132-T192 HydrophobicContact CB-CG2 3.65Å; Q133-T192 HydrophobicContact CB-CG2 4.31Å; Q133-T192 HydrophobicContact CG-CG2 3.76Å; A136-T192 HydrophobicContact CB-CG2 4.26Å; N188-T192 VanDerWaalsContact O-CB 3.27Å; N188-T192 WeakPolarHBondContact O-CB 3.42Å; N188-T192 PolarHBondContact O-N 3.35Å; N188-T192 PolarHBondContact O-OG1 3.48Å; V189-T192 PolarHBondContact O-N 2.64Å; T192-I194 VanDerWaalsContact C-N 3.29Å; T192-I194 PolarHBondContact O-N 3.21Å; T192-A195 PolarHBondContact O-N 3.32Å; T192-V196 WeakPolarHBondContact O-CG2 3.18Å; T192-V196 PolarHBondContact O-N 3.34Å |
| 193 | M | 94.8 | Very high | 91.2 | Very high | 15 Ų | 15 | 49 Ų | 49 | 7% | 0.074 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.1 | -37 | 173.6 | -81.2 | -160.8 | -51.7 | 0 | 0 | 112.3 | L132 V189 E190 E191 T197 L216 V219 K220 | L132-M193 HydrophobicContact CD1-CG 3.98Å; L132-M193 HydrophobicContact CD2-CG 4.1Å; V189-M193 HydrophobicContact CG1-CG 4.36Å; V189-M193 WeakPolarHBondContact O-CB 3.44Å; V189-M193 VanDerWaalsContact O-CG 3.28Å; V189-M193 WeakPolarHBondContact O-CG 3.49Å; V189-M193 PolarHBondContact O-N 2.84Å; E190-M193 PolarHBondContact O-N 3.13Å; E191-M193 VanDerWaalsContact C-N 3.35Å; E191-M193 PolarHBondContact O-N 2.92Å; M193-T197 WeakPolarHBondContact O-CB 3.48Å; M193-T197 PolarHBondContact O-N 2.85Å; M193-T197 PolarHBondContact O-OG1 2.87Å; M193-L216 HydrophobicContact CB-CD2 4.4Å; M193-L216 HydrophobicContact CG-CD2 3.91Å; M193-L216 HydrophobicContact SD-CD2 4.3Å; M193-V219 HydrophobicContact CG-CG1 4.46Å; M193-V219 HydrophobicContact SD-CB 3.89Å; M193-V219 HydrophobicContact SD-CG1 3.57Å; M193-V219 VanDerWaalsContact SD-CG1 3.57Å; M193-K220 HydrophobicContact CE-CG 3.84Å; M193-K220 HydrophobicContact SD-CG 3.85Å |
| 194 | I | 93.4 | Very high | 91.1 | Very high | 102 Ų | 102 | 47.9 Ų | 47.9 | 52% | 0.523 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63.4 | -48.5 | 174.1 | -66.3 | 164.4 | 0 | 0 | 0 | 109.2 | E190 E191 T192 V196 T197 D198 | E190-I194 WeakPolarHBondContact O-CG1 3.27Å; E190-I194 PolarHBondContact O-N 3.4Å; E190-I194 VanDerWaalsContact O-N 3.13Å; E191-I194 WeakPolarHBondContact O-CB 3.27Å; E191-I194 PolarHBondContact O-N 3.21Å; T192-I194 VanDerWaalsContact C-N 3.29Å; T192-I194 PolarHBondContact O-N 3.21Å; I194-V196 VanDerWaalsContact C-N 3.34Å; I194-V196 PolarHBondContact O-N 3.36Å; I194-T197 WeakPolarHBondContact O-CA 3.41Å; I194-T197 WeakPolarHBondContact O-CB 3.49Å; I194-T197 PolarHBondContact O-N 2.94Å; I194-D198 PolarHBondContact O-N 2.93Å |
| 195 | A | 93.6 | Very high | 91.1 | Very high | 40 Ų | 40 | 47.8 Ų | 47.8 | 33% | 0.331 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -57.4 | -42.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | A136 E191 T192 G199 | A136-A195 HydrophobicContact CB-CB 4.13Å; E191-A195 PolarHBondContact O-N 3.35Å; E191-A195 VanDerWaalsContact O-N 3.09Å; T192-A195 PolarHBondContact O-N 3.32Å; A195-G199 PolarHBondContact O-N 3.5Å; A195-G199 VanDerWaalsContact O-N 3.07Å |
| 196 | V | 94.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.5 | -43.8 | 173.5 | 179.2 | 0 | 0 | 0 | 0 | 110.8 | L132 C135 A136 T192 I194 G199 L200 I212 L216 | L132-V196 HydrophobicContact CD2-CG2 4.42Å; L132-V196 WeakPolarHBondContact O-CG2 3.41Å; C135-V196 HydrophobicContact CB-CG1 4.26Å; C135-V196 HydrophobicContact CB-CG2 3.9Å; A136-V196 HydrophobicContact CB-CG2 3.82Å; T192-V196 WeakPolarHBondContact O-CG2 3.18Å; T192-V196 PolarHBondContact O-N 3.34Å; I194-V196 VanDerWaalsContact C-N 3.34Å; I194-V196 PolarHBondContact O-N 3.36Å; V196-G199 PolarHBondContact O-N 3.47Å; V196-L200 WeakPolarHBondContact O-CG 3.47Å; V196-L200 PolarHBondContact O-N 2.87Å; V196-L200 VanDerWaalsContact O-N 3.16Å; V196-I212 HydrophobicContact CG1-CG2 3.77Å; V196-L216 HydrophobicContact CB-CD2 4.46Å; V196-L216 HydrophobicContact CG1-CD1 4.04Å; V196-L216 HydrophobicContact CG1-CD2 4.3Å |
| 197 | T | 93.5 | Very high | 91.3 | Very high | 51 Ų | 51 | 57.3 Ų | 57.3 | 31% | 0.313 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63 | -45 | -178.3 | -55.7 | 0 | 0 | 0 | 0 | 111.2 | M193 I194 G199 L200 | M193-T197 WeakPolarHBondContact O-CB 3.48Å; M193-T197 PolarHBondContact O-N 2.85Å; M193-T197 PolarHBondContact O-OG1 2.87Å; I194-T197 WeakPolarHBondContact O-CA 3.41Å; I194-T197 WeakPolarHBondContact O-CB 3.49Å; I194-T197 PolarHBondContact O-N 2.94Å; T197-G199 PolarHBondContact O-N 3.14Å; T197-L200 HydrophobicContact CG2-CD1 4.33Å; T197-L200 WeakPolarHBondContact O-CB 3.39Å; T197-L200 PolarHBondContact O-N 3.04Å |
| 198 | D | 91.4 | Very high | 91.3 | Very high | 114 Ų | 114 | 56 Ų | 56 | 61% | 0.61 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -64.4 | -32.9 | 176.6 | -67.2 | -16.3 | 0 | 0 | 0 | 111.6 | I194 | I194-D198 PolarHBondContact O-N 2.93Å |
| 199 | G | 89.1 | Confident | 91.3 | Very high | 2 Ų | 2 | 55.8 Ų | 55.8 | 2% | 0.021 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -74.3 | -16.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | A195 V196 T197 C201 N202 | A195-G199 PolarHBondContact O-N 3.5Å; A195-G199 VanDerWaalsContact O-N 3.07Å; V196-G199 PolarHBondContact O-N 3.47Å; T197-G199 PolarHBondContact O-N 3.14Å; G199-C201 VanDerWaalsContact C-N 3.26Å; G199-C201 PolarHBondContact O-N 3.11Å; G199-N202 WeakPolarHBondContact O-CB 3.31Å; G199-N202 PolarHBondContact O-N 3.16Å; G199-N202 PolarHBondContact O-ND2 3.33Å |
| 200 | L | 90.3 | Very high | 91.3 | Very high | 11 Ų | 11 | 58.7 Ų | 58.7 | 6% | 0.058 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -60 | -32.7 | -174.2 | -77.7 | 168.4 | 0 | 0 | 0 | 113.6 | V196 T197 N202 V203 R209 I212 E213 L216 | V196-L200 WeakPolarHBondContact O-CG 3.47Å; V196-L200 PolarHBondContact O-N 2.87Å; V196-L200 VanDerWaalsContact O-N 3.16Å; T197-L200 HydrophobicContact CG2-CD1 4.33Å; T197-L200 WeakPolarHBondContact O-CB 3.39Å; T197-L200 PolarHBondContact O-N 3.04Å; L200-N202 PolarHBondContact O-N 2.78Å; L200-V203 PolarHBondContact O-N 3.14Å; L200-R209 HydrophobicContact CB-CG 4.27Å; L200-R209 HydrophobicContact CD2-CG 3.9Å; L200-R209 PolarHBondContact O-NE 3.4Å; L200-I212 HydrophobicContact CD2-CB 3.83Å; L200-I212 HydrophobicContact CD2-CD1 4.17Å; L200-I212 HydrophobicContact CD2-CG2 3.65Å; L200-E213 HydrophobicContact CD1-CG 3.82Å; L200-L216 HydrophobicContact CD1-CD1 4.39Å |
| 201 | C | 86.8 | Confident | 91.3 | Very high | 105 Ų | 105 | 56 Ų | 56 | 71% | 0.709 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -60.1 | -26.4 | 177.4 | -65.6 | 0 | 0 | 0 | 0 | 112.4 | G199 | G199-C201 VanDerWaalsContact C-N 3.26Å; G199-C201 PolarHBondContact O-N 3.11Å |
| 202 | N | 85.8 | Confident | 91.3 | Very high | 51 Ų | 51 | 49.7 Ų | 49.7 | 27% | 0.273 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -85.3 | -10.7 | -177.1 | -52.6 | -44.7 | 0 | 0 | 0 | 112.9 | R143 G199 L200 P204 | R143-N202 HydrophobicContact CB-CB 4.11Å; G199-N202 WeakPolarHBondContact O-CB 3.31Å; G199-N202 PolarHBondContact O-N 3.16Å; G199-N202 PolarHBondContact O-ND2 3.33Å; L200-N202 PolarHBondContact O-N 2.78Å; N202-P204 WeakPolarHBondContact O-CD 3.4Å |
| 203 | V | 88.4 | Confident | 91.3 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 30% | 0.298 | C | S | . | . | trans | -81 | 114.8 | 178.9 | -178 | 0 | 0 | 0 | 0 | 109.1 | L142 L155 L200 N205 L208 R209 I212 | L142-V203 HydrophobicContact CD1-CG2 4.46Å; L155-V203 HydrophobicContact CD2-CG1 4.49Å; L155-V203 HydrophobicContact CD2-CG2 3.94Å; L200-V203 PolarHBondContact O-N 3.14Å; V203-N205 PolarHBondContact O-N 2.94Å; V203-L208 HydrophobicContact CG1-CB 4.35Å; V203-L208 HydrophobicContact CG1-CD2 4.05Å; V203-L208 HydrophobicContact CG1-CG 4.22Å; V203-R209 PolarHBondContact O-NH2 2.96Å; V203-I212 HydrophobicContact CG2-CD1 4.49Å | ||
| 204 | P | 84.8 | Confident | 91.3 | Very high | 68 Ų | 68 | 58 Ų | 58 | 44% | 0.442 | 32% | 0.32 | S | S | . | . | trans | -69.6 | -34.1 | -175.6 | -13.9 | 26.4 | 0 | 0 | 0 | 113 | P147 E152 N202 E206 | P147-P204 HydrophobicContact CB-CG 4.14Å; P147-P204 HydrophobicContact CG-CG 4.35Å; E152-P204 VanDerWaalsContact OE1-CD 3.32Å; E152-P204 WeakPolarHBondContact OE1-CD 3.27Å; E152-P204 WeakPolarHBondContact OE1-CG 3.38Å; N202-P204 WeakPolarHBondContact O-CD 3.4Å; P204-E206 PolarHBondContact O-N 3.3Å | ||
| 205 | N | 89.1 | Confident | 91.4 | Very high | 45 Ų | 45 | 53.2 Ų | 53.2 | 24% | 0.241 | 30% | 0.295 | C | S | . | . | trans | -81.1 | 110.3 | -174.6 | -172.8 | -34.6 | 0 | 0 | 0 | 111.7 | R156 V203 T207 L208 R209 | R156-N205 PolarHBondContact NH2-ND2 2.85Å; V203-N205 PolarHBondContact O-N 2.94Å; N205-T207 PolarHBondContact O-N 3.46Å; N205-T207 PolarHBondContact OD1-N 3.04Å; N205-T207 PolarHBondContact OD1-OG1 2.93Å; N205-L208 HydrophobicContact CB-CB 4.03Å; N205-L208 PolarHBondContact O-N 2.89Å; N205-L208 PolarHBondContact OD1-N 2.93Å; N205-R209 PolarHBondContact O-N 3.49Å | ||
| 206 | E | 90.1 | Very high | 91.4 | Very high | 144 Ų | 144 | 51.6 Ų | 51.6 | 67% | 0.673 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -59.9 | -41.9 | -178.7 | -169.2 | 173.8 | -171 | 0 | 0 | 112.9 | P204 L208 R209 T210 | P204-E206 PolarHBondContact O-N 3.3Å; E206-L208 VanDerWaalsContact C-N 3.32Å; E206-L208 PolarHBondContact O-N 3.2Å; E206-R209 WeakPolarHBondContact O-CB 3.27Å; E206-R209 PolarHBondContact O-N 3.36Å; E206-R209 VanDerWaalsContact O-N 3.15Å; E206-T210 PolarHBondContact O-N 3.3Å; E206-T210 PolarHBondContact O-OG1 3.37Å; E206-T210 VanDerWaalsContact O-OG1 3.12Å |
| 207 | T | 92.3 | Very high | 91.4 | Very high | 105 Ų | 105 | 54.3 Ų | 54.3 | 64% | 0.644 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -63.8 | -38.1 | 179.1 | 64.9 | 0 | 0 | 0 | 0 | 112.4 | N205 S211 | N205-T207 PolarHBondContact O-N 3.46Å; N205-T207 PolarHBondContact OD1-N 3.04Å; N205-T207 PolarHBondContact OD1-OG1 2.93Å; T207-S211 WeakPolarHBondContact O-CB 3.41Å; T207-S211 PolarHBondContact O-N 3.48Å; T207-S211 VanDerWaalsContact O-N 3.09Å |
| 208 | L | 92.1 | Very high | 91.3 | Very high | 4 Ų | 4 | 53.5 Ų | 53.5 | 2% | 0.021 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -68.9 | -39.9 | 175.6 | -179.7 | 58.5 | 0 | 0 | 0 | 110.7 | L155 R156 V203 N205 E206 S211 I212 | L155-L208 HydrophobicContact CD2-CD2 4.06Å; L155-L208 HydrophobicContact CG-CD2 4.27Å; R156-L208 HydrophobicContact CB-CD1 3.92Å; R156-L208 HydrophobicContact CB-CD2 4.46Å; R156-L208 HydrophobicContact CG-CD1 4.09Å; V203-L208 HydrophobicContact CG1-CB 4.35Å; V203-L208 HydrophobicContact CG1-CD2 4.05Å; V203-L208 HydrophobicContact CG1-CG 4.22Å; N205-L208 HydrophobicContact CB-CB 4.03Å; N205-L208 PolarHBondContact O-N 2.89Å; N205-L208 PolarHBondContact OD1-N 2.93Å; E206-L208 VanDerWaalsContact C-N 3.32Å; E206-L208 PolarHBondContact O-N 3.2Å; L208-S211 PolarHBondContact O-N 3.02Å; L208-I212 HydrophobicContact CD1-CD1 4.37Å; L208-I212 HydrophobicContact CD1-CG1 4.4Å; L208-I212 HydrophobicContact CG-CD1 4.1Å; L208-I212 VanDerWaalsContact O-CG1 3.29Å; L208-I212 WeakPolarHBondContact O-CG1 3.06Å; L208-I212 PolarHBondContact O-N 3.13Å |
| 209 | R | 92.6 | Very high | 91.4 | Very high | 72 Ų | 72 | 48 Ų | 48 | 27% | 0.272 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -58.7 | -50.4 | 176.1 | -168 | -173.1 | -67.8 | 147.9 | -2 | 111.4 | L200 V203 N205 E206 S211 I212 E213 | L200-R209 HydrophobicContact CB-CG 4.27Å; L200-R209 HydrophobicContact CD2-CG 3.9Å; L200-R209 PolarHBondContact O-NE 3.4Å; V203-R209 PolarHBondContact O-NH2 2.96Å; N205-R209 PolarHBondContact O-N 3.49Å; E206-R209 WeakPolarHBondContact O-CB 3.27Å; E206-R209 PolarHBondContact O-N 3.36Å; E206-R209 VanDerWaalsContact O-N 3.15Å; R209-S211 VanDerWaalsContact C-N 3.33Å; R209-S211 PolarHBondContact O-N 3.36Å; R209-I212 PolarHBondContact O-N 3.38Å; R209-E213 WeakPolarHBondContact O-CG 3.29Å; R209-E213 PolarHBondContact O-N 3.07Å |
| 210 | T | 93.1 | Very high | 91.5 | Very high | 60 Ų | 60 | 53.1 Ų | 53.1 | 37% | 0.368 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59.8 | -42.4 | 176.8 | -50 | 0 | 0 | 0 | 0 | 111.8 | E206 I212 E213 E214 | E206-T210 PolarHBondContact O-N 3.3Å; E206-T210 PolarHBondContact O-OG1 3.37Å; E206-T210 VanDerWaalsContact O-OG1 3.12Å; T210-I212 VanDerWaalsContact C-N 3.34Å; T210-I212 PolarHBondContact O-N 2.96Å; T210-E213 WeakPolarHBondContact O-CB 3.46Å; T210-E213 PolarHBondContact O-N 3.08Å; T210-E214 WeakPolarHBondContact O-CG 3.38Å; T210-E214 PolarHBondContact O-N 3.45Å |
| 211 | S | 94.4 | Very high | 91.5 | Very high | 34 Ų | 34 | 54.5 Ų | 54.5 | 24% | 0.238 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62 | -38.1 | 176.7 | -173 | 0 | 0 | 0 | 0 | 112.9 | Q159 T207 L208 R209 T215 | Q159-S211 PolarHBondContact NE2-OG 3.25Å; Q159-S211 PolarHBondContact OE1-OG 2.91Å; T207-S211 WeakPolarHBondContact O-CB 3.41Å; T207-S211 PolarHBondContact O-N 3.48Å; T207-S211 VanDerWaalsContact O-N 3.09Å; L208-S211 PolarHBondContact O-N 3.02Å; R209-S211 VanDerWaalsContact C-N 3.33Å; R209-S211 PolarHBondContact O-N 3.36Å; S211-T215 WeakPolarHBondContact O-CB 3.34Å; S211-T215 PolarHBondContact O-N 3.3Å; S211-T215 VanDerWaalsContact O-N 3.08Å; S211-T215 PolarHBondContact O-OG1 2.97Å |
| 212 | I | 94.4 | Very high | 91.7 | Very high | 4 Ų | 4 | 49.5 Ų | 49.5 | 2% | 0.021 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.4 | -45.4 | 173.6 | -63.7 | 163.2 | 0 | 0 | 0 | 110.1 | L155 Q159 V196 L200 V203 L208 R209 T210 E214 T215 L216 | L155-I212 HydrophobicContact CD1-CD1 4.3Å; L155-I212 HydrophobicContact CD2-CD1 4.19Å; L155-I212 HydrophobicContact CG-CD1 4.29Å; Q159-I212 HydrophobicContact CB-CG1 4.24Å; Q159-I212 HydrophobicContact CG-CB 4.48Å; Q159-I212 HydrophobicContact CG-CG1 3.74Å; V196-I212 HydrophobicContact CG1-CG2 3.77Å; L200-I212 HydrophobicContact CD2-CB 3.83Å; L200-I212 HydrophobicContact CD2-CD1 4.17Å; L200-I212 HydrophobicContact CD2-CG2 3.65Å; V203-I212 HydrophobicContact CG2-CD1 4.49Å; L208-I212 HydrophobicContact CD1-CD1 4.37Å; L208-I212 HydrophobicContact CD1-CG1 4.4Å; L208-I212 HydrophobicContact CG-CD1 4.1Å; L208-I212 VanDerWaalsContact O-CG1 3.29Å; L208-I212 WeakPolarHBondContact O-CG1 3.06Å; L208-I212 PolarHBondContact O-N 3.13Å; R209-I212 PolarHBondContact O-N 3.38Å; T210-I212 VanDerWaalsContact C-N 3.34Å; T210-I212 PolarHBondContact O-N 2.96Å; I212-E214 PolarHBondContact O-N 2.95Å; I212-T215 WeakPolarHBondContact O-CB 3.49Å; I212-T215 PolarHBondContact O-N 2.95Å; I212-T215 VanDerWaalsContact O-N 3.13Å; I212-L216 HydrophobicContact CG2-CD1 4.06Å; I212-L216 HydrophobicContact CG2-CG 4.2Å; I212-L216 WeakPolarHBondContact O-CG 3.43Å; I212-L216 PolarHBondContact O-N 3.49Å |
| 213 | E | 94.3 | Very high | 91.7 | Very high | 94 Ų | 94 | 49 Ų | 49 | 44% | 0.439 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -58.6 | -45.7 | 177.8 | -72.2 | 173.5 | 172 | 0 | 0 | 112.5 | L200 R209 T210 T215 L216 A217 | L200-E213 HydrophobicContact CD1-CG 3.82Å; R209-E213 WeakPolarHBondContact O-CG 3.29Å; R209-E213 PolarHBondContact O-N 3.07Å; T210-E213 WeakPolarHBondContact O-CB 3.46Å; T210-E213 PolarHBondContact O-N 3.08Å; E213-T215 VanDerWaalsContact C-N 3.3Å; E213-T215 PolarHBondContact O-N 3.01Å; E213-L216 PolarHBondContact O-N 3.2Å; E213-A217 PolarHBondContact O-N 3.45Å |
| 214 | E | 93.9 | Very high | 91.3 | Very high | 111 Ų | 111 | 54.1 Ų | 54.1 | 52% | 0.519 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -59.4 | -41.5 | 174.1 | -72.7 | 177.8 | 178.2 | 0 | 0 | 111.7 | T210 I212 A217 L218 | T210-E214 WeakPolarHBondContact O-CG 3.38Å; T210-E214 PolarHBondContact O-N 3.45Å; I212-E214 PolarHBondContact O-N 2.95Å; E214-A217 WeakPolarHBondContact O-CB 3.25Å; E214-A217 PolarHBondContact O-N 3.31Å; E214-L218 PolarHBondContact O-N 2.98Å; E214-L218 VanDerWaalsContact O-N 3.09Å |
| 215 | T | 95.1 | Very high | 90.9 | Very high | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.012 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.9 | -41.5 | 178.1 | -55.9 | 0 | 0 | 0 | 0 | 111.7 | Q159 L162 H163 S211 I212 E213 A217 L218 V219 | Q159-T215 PolarHBondContact NE2-OG1 3.36Å; L162-T215 HydrophobicContact CB-CG2 4.04Å; L162-T215 HydrophobicContact CD2-CG2 3.72Å; L162-T215 HydrophobicContact CG-CG2 3.61Å; H163-T215 HydrophobicContact CB-CG2 4.04Å; H163-T215 PolarHBondContact ND1-OG1 3.15Å; S211-T215 WeakPolarHBondContact O-CB 3.34Å; S211-T215 PolarHBondContact O-N 3.3Å; S211-T215 VanDerWaalsContact O-N 3.08Å; S211-T215 PolarHBondContact O-OG1 2.97Å; I212-T215 WeakPolarHBondContact O-CB 3.49Å; I212-T215 PolarHBondContact O-N 2.95Å; I212-T215 VanDerWaalsContact O-N 3.13Å; E213-T215 VanDerWaalsContact C-N 3.3Å; E213-T215 PolarHBondContact O-N 3.01Å; T215-A217 VanDerWaalsContact C-N 3.31Å; T215-A217 PolarHBondContact O-N 3.16Å; T215-L218 WeakPolarHBondContact O-CB 3.36Å; T215-L218 PolarHBondContact O-N 3.47Å; T215-V219 PolarHBondContact O-N 3.22Å |
| 216 | L | 94.8 | Very high | 90 | Very high | 6 Ų | 6 | 50.4 Ų | 50.4 | 3% | 0.031 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.9 | -37.2 | 173.8 | -68.6 | 175.9 | 0 | 0 | 0 | 111.3 | L132 M193 V196 L200 I212 E213 L218 V219 K220 | L132-L216 HydrophobicContact CD2-CD2 3.79Å; M193-L216 HydrophobicContact CB-CD2 4.4Å; M193-L216 HydrophobicContact CG-CD2 3.91Å; M193-L216 HydrophobicContact SD-CD2 4.3Å; V196-L216 HydrophobicContact CB-CD2 4.46Å; V196-L216 HydrophobicContact CG1-CD1 4.04Å; V196-L216 HydrophobicContact CG1-CD2 4.3Å; L200-L216 HydrophobicContact CD1-CD1 4.39Å; I212-L216 HydrophobicContact CG2-CD1 4.06Å; I212-L216 HydrophobicContact CG2-CG 4.2Å; I212-L216 WeakPolarHBondContact O-CG 3.43Å; I212-L216 PolarHBondContact O-N 3.49Å; E213-L216 PolarHBondContact O-N 3.2Å; L216-L218 VanDerWaalsContact C-N 3.32Å; L216-L218 PolarHBondContact O-N 2.96Å; L216-V219 PolarHBondContact O-N 3.03Å; L216-K220 WeakPolarHBondContact O-CB 3.4Å; L216-K220 VanDerWaalsContact O-CG 3.27Å; L216-K220 WeakPolarHBondContact O-CG 3.43Å; L216-K220 PolarHBondContact O-N 3.13Å |
| 217 | A | 92.9 | Very high | 88.6 | Confident | 57 Ų | 57 | 46.2 Ų | 46.2 | 47% | 0.471 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62 | -38.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | E213 E214 T215 K220 S221 | E213-A217 PolarHBondContact O-N 3.45Å; E214-A217 WeakPolarHBondContact O-CB 3.25Å; E214-A217 PolarHBondContact O-N 3.31Å; T215-A217 VanDerWaalsContact C-N 3.31Å; T215-A217 PolarHBondContact O-N 3.16Å; A217-K220 PolarHBondContact O-N 3.34Å; A217-S221 PolarHBondContact O-N 3.36Å |
| 218 | L | 92.7 | Very high | 86.6 | Confident | 34 Ų | 34 | 44 Ų | 44 | 18% | 0.178 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.5 | -44.2 | 173.5 | -67.9 | 173.9 | 0 | 0 | 0 | 112 | M166 E214 T215 L216 S221 | M166-L218 HydrophobicContact CB-CB 4.12Å; M166-L218 HydrophobicContact CB-CD1 4.48Å; E214-L218 PolarHBondContact O-N 2.98Å; E214-L218 VanDerWaalsContact O-N 3.09Å; T215-L218 WeakPolarHBondContact O-CB 3.36Å; T215-L218 PolarHBondContact O-N 3.47Å; L216-L218 VanDerWaalsContact C-N 3.32Å; L216-L218 PolarHBondContact O-N 2.96Å; L218-S221 WeakPolarHBondContact O-CB 3.4Å; L218-S221 PolarHBondContact O-N 3.37Å; L218-S221 PolarHBondContact O-OG 3.34Å |
| 219 | V | 93.5 | Very high | 84.6 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.3 | -44.8 | 177.5 | -179.7 | 0 | 0 | 0 | 0 | 111.1 | L162 M166 W186 V189 M193 T215 L216 S221 I222 | L162-V219 HydrophobicContact CD1-CG2 4.44Å; M166-V219 HydrophobicContact CG-CG2 3.96Å; W186-V219 HydrophobicContact CH2-CG1 4.42Å; V189-V219 HydrophobicContact CG1-CG1 3.76Å; M193-V219 HydrophobicContact CG-CG1 4.46Å; M193-V219 HydrophobicContact SD-CB 3.89Å; M193-V219 HydrophobicContact SD-CG1 3.57Å; M193-V219 VanDerWaalsContact SD-CG1 3.57Å; T215-V219 PolarHBondContact O-N 3.22Å; L216-V219 PolarHBondContact O-N 3.03Å; V219-S221 PolarHBondContact O-N 3.02Å; V219-S221 VanDerWaalsContact O-N 3.16Å; V219-I222 HydrophobicContact CG1-CD1 4.32Å; V219-I222 WeakPolarHBondContact O-CB 3.12Å; V219-I222 VanDerWaalsContact O-CG1 3.32Å; V219-I222 WeakPolarHBondContact O-CG1 3.35Å; V219-I222 PolarHBondContact O-N 3.41Å; V219-I222 VanDerWaalsContact O-N 3.07Å |
| 220 | K | 91.1 | Very high | 82.4 | Confident | 109 Ų | 109 | 49.5 Ų | 49.5 | 47% | 0.474 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -59.7 | -24 | 175.1 | -72.6 | 174.2 | -177.6 | 177.4 | 0 | 113 | M193 L216 A217 P223 | M193-K220 HydrophobicContact CE-CG 3.84Å; M193-K220 HydrophobicContact SD-CG 3.85Å; L216-K220 WeakPolarHBondContact O-CB 3.4Å; L216-K220 VanDerWaalsContact O-CG 3.27Å; L216-K220 WeakPolarHBondContact O-CG 3.43Å; L216-K220 PolarHBondContact O-N 3.13Å; A217-K220 PolarHBondContact O-N 3.34Å; K220-P223 WeakPolarHBondContact O-CD 2.95Å |
| 221 | S | 89.7 | Confident | 80.1 | Confident | 39 Ų | 39 | 55 Ų | 55 | 27% | 0.273 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -14 | 177 | 80.8 | 0 | 0 | 0 | 0 | 114.6 | A217 L218 V219 L224 M225 | A217-S221 PolarHBondContact O-N 3.36Å; L218-S221 WeakPolarHBondContact O-CB 3.4Å; L218-S221 PolarHBondContact O-N 3.37Å; L218-S221 PolarHBondContact O-OG 3.34Å; V219-S221 PolarHBondContact O-N 3.02Å; V219-S221 VanDerWaalsContact O-N 3.16Å; S221-L224 CarbonylContact O-C 3.18Å; S221-L224 WeakPolarHBondContact O-CA 3.41Å; S221-L224 PolarHBondContact O-N 3.05Å; S221-M225 PolarHBondContact O-N 3.42Å |
| 222 | I | 90.3 | Very high | 78.2 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -61.9 | -43.7 | -174.4 | -63.5 | 171 | 0 | 0 | 0 | 112.8 | M166 K172 V175 H176 W186 V219 L224 M225 | M166-I222 HydrophobicContact SD-CD1 3.75Å; K172-I222 HydrophobicContact CB-CG1 4.24Å; K172-I222 HydrophobicContact CD-CG1 4.37Å; K172-I222 HydrophobicContact CG-CG1 4.1Å; V175-I222 HydrophobicContact CB-CD1 4.22Å; V175-I222 HydrophobicContact CB-CG2 4.46Å; V175-I222 HydrophobicContact CG1-CD1 3.84Å; V175-I222 HydrophobicContact CG1-CG2 4.25Å; H176-I222 HydrophobicContact CB-CG2 3.87Å; H176-I222 PolarHBondContact ND1-O 2.92Å; W186-I222 HydrophobicContact CH2-CB 3.97Å; W186-I222 HydrophobicContact CH2-CD1 4.33Å; W186-I222 HydrophobicContact CH2-CG2 4.21Å; W186-I222 HydrophobicContact CZ3-CB 4.46Å; W186-I222 HydrophobicContact CZ3-CD1 4.38Å; W186-I222 HydrophobicContact CZ3-CG2 4.29Å; V219-I222 HydrophobicContact CG1-CD1 4.32Å; V219-I222 WeakPolarHBondContact O-CB 3.12Å; V219-I222 VanDerWaalsContact O-CG1 3.32Å; V219-I222 WeakPolarHBondContact O-CG1 3.35Å; V219-I222 PolarHBondContact O-N 3.41Å; V219-I222 VanDerWaalsContact O-N 3.07Å; I222-L224 PolarHBondContact O-N 3.27Å; I222-M225 VanDerWaalsContact O-CG 3.29Å; I222-M225 WeakPolarHBondContact O-CG 3.38Å; I222-M225 PolarHBondContact O-N 3.37Å |
| 223 | P | 85.8 | Confident | 76.5 | Confident | 40 Ų | 40 | 59.8 Ų | 59.8 | 26% | 0.26 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -29.1 | 172.7 | -26.9 | 37.7 | 0 | 0 | 0 | 113.6 | W186 K220 | W186-P223 HydrophobicContact CH2-CG 4.2Å; W186-P223 HydrophobicContact CZ2-CG 3.48Å; W186-P223 VanDerWaalsContact CZ2-CG 3.48Å; K220-P223 WeakPolarHBondContact O-CD 2.95Å |
| 224 | L | 81 | Confident | 74.6 | Confident | 109 Ų | 109 | 60.4 Ų | 60.4 | 57% | 0.571 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | 7.4 | -175.1 | -59.8 | 175.5 | 0 | 0 | 0 | 113.3 | S221 I222 L226 S227 | S221-L224 CarbonylContact O-C 3.18Å; S221-L224 WeakPolarHBondContact O-CA 3.41Å; S221-L224 PolarHBondContact O-N 3.05Å; I222-L224 PolarHBondContact O-N 3.27Å; L224-L226 PolarHBondContact O-N 2.98Å; L224-S227 WeakPolarHBondContact CB-OG 3.32Å; L224-S227 PolarHBondContact O-N 2.97Å; L224-S227 PolarHBondContact O-OG 3.06Å |
| 225 | M | 76.8 | Confident | 73.3 | Confident | 8 Ų | 8 | 61.6 Ų | 61.6 | 4% | 0.039 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -24.8 | -176.6 | -76.6 | -170.7 | 78.4 | 0 | 0 | 114.7 | T169 K172 A173 H176 S221 I222 K965 | T169-M225 HydrophobicContact CG2-CE 4.08Å; K172-M225 HydrophobicContact CB-CE 3.69Å; K172-M225 HydrophobicContact CB-SD 3.48Å; K172-M225 WeakPolarHBondContact CB-SD 3.38Å; K172-M225 VanDerWaalsContact O-SD 3.34Å; A173-M225 HydrophobicContact CB-CE 3.86Å; A173-M225 HydrophobicContact CB-SD 4.46Å; H176-M225 HydrophobicContact CB-SD 4.15Å; S221-M225 PolarHBondContact O-N 3.42Å; I222-M225 VanDerWaalsContact O-CG 3.29Å; I222-M225 WeakPolarHBondContact O-CG 3.38Å; I222-M225 PolarHBondContact O-N 3.37Å; M225-K965 HydrophobicContact CE-CG 4.39Å |
| 226 | L | 69.6 | Low | 71.9 | Confident | 27 Ų | 27 | 65.5 Ų | 65.5 | 14% | 0.141 | 39% | 0.386 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | -10.1 | -178.1 | -68.3 | 174.4 | 0 | 0 | 0 | 113.3 | L224 V228 L968 A969 L973 | L224-L226 PolarHBondContact O-N 2.98Å; L226-V228 PolarHBondContact O-N 3.31Å; L226-L968 HydrophobicContact CD2-CB 3.59Å; L226-L968 HydrophobicContact CD2-CD1 4.39Å; L226-L968 HydrophobicContact CG-CB 4.48Å; L226-A969 HydrophobicContact CD2-CB 4.25Å; L226-L973 HydrophobicContact CD1-CD1 4.06Å |
| 227 | S | 59.5 | Low | 71.3 | Confident | 55 Ų | 55 | 67.7 Ų | 67.7 | 39% | 0.385 | 40% | 0.402 | S | S | . | . | trans | -85.9 | 96.2 | 165.1 | 53.6 | 0 | 0 | 0 | 0 | 107.5 | L224 | L224-S227 WeakPolarHBondContact CB-OG 3.32Å; L224-S227 PolarHBondContact O-N 2.97Å; L224-S227 PolarHBondContact O-OG 3.06Å | ||
| 228 | V | 51.2 | Low | 71.2 | Confident | 59 Ų | 59 | 65.3 Ų | 65.3 | 36% | 0.358 | 38% | 0.381 | S | S | . | . | trans | -95.2 | 97.7 | 180 | 179.1 | 0 | 0 | 0 | 0 | 108 | L226 S230 E936 | L226-V228 PolarHBondContact O-N 3.31Å; V228-S230 PolarHBondContact O-N 3.18Å; V228-E936 PolarHBondContact N-OE1 2.71Å | ||
| 229 | Q | 49.7 | Very low | 71.2 | Confident | 143 Ų | 143 | 64 Ų | 64 | 67% | 0.668 | 37% | 0.374 | S | S | * | . | trans | -70.4 | 100.6 | 160.7 | -67.8 | -179.7 | 28.8 | 0 | 0 | 107.4 | ||||
| 230 | S | 45.8 | Very low | 71.2 | Confident | 48 Ų | 48 | 64 Ų | 64 | 34% | 0.336 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -72.7 | 155.6 | 159.6 | 74.5 | 0 | 0 | 0 | 0 | 108.9 | V228 R272 | V228-S230 PolarHBondContact O-N 3.18Å; S230-R272 VanDerWaalsContact OG-CD 3.3Å; S230-R272 WeakPolarHBondContact OG-CD 3.3Å; S230-R272 PolarHBondContact OG-NH1 3.35Å |
| 231 | E | 46.8 | Very low | 71.4 | Confident | 177 Ų | 177 | 58.8 Ų | 58.8 | 83% | 0.827 | 35% | 0.352 | S | S | * | . | P | Polyproline II helix | trans | -54.8 | 141 | 164.3 | -71.1 | -177.9 | 164.1 | 0 | 0 | 109.7 | ||
| 232 | P | 54.4 | Low | 71.7 | Confident | 92 Ų | 92 | 57.5 Ų | 57.5 | 60% | 0.597 | 34% | 0.341 | S | S | * | . | P | Polyproline II helix | trans | -60.4 | 143.8 | 175.9 | 23.9 | -31.1 | 0 | 0 | 0 | 109.6 | A234 P274 | P232-A234 PolarHBondContact O-N 2.88Å; P232-P274 HydrophobicContact CB-CG 4.47Å |
| 233 | P | 57.3 | Low | 71.9 | Confident | 46 Ų | 46 | 57.5 Ų | 57.5 | 30% | 0.299 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -58.8 | 136.5 | -178.9 | 22.6 | -31.8 | 0 | 0 | 0 | 111 | H235 F238 | P233-H235 PolarHBondContact O-N 3.33Å; P233-F238 HydrophobicContact CG-CE1 4.36Å |
| 234 | A | 55.5 | Low | 72.3 | Confident | 106 Ų | 106 | 55.7 Ų | 55.7 | 88% | 0.876 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -72.9 | 10.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | P232 | P232-A234 PolarHBondContact O-N 2.88Š|
| 235 | H | 65.6 | Low | 73.1 | Confident | 137 Ų | 137 | 50.5 Ų | 50.5 | 63% | 0.634 | 30% | 0.302 | S | S | * | . | trans | -97.3 | 137.7 | -173.4 | -60.9 | -50.3 | 0 | 0 | 0 | 112.1 | P233 F238 | P233-H235 PolarHBondContact O-N 3.33Å; H235-F238 WeakPolarHBondContact O-CZ 3.42Å | ||
| 236 | A | 66.9 | Low | 73.9 | Confident | 83 Ų | 83 | 50.1 Ų | 50.1 | 69% | 0.686 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -95.1 | 2.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 237 | S | 81.6 | Confident | 75 | Confident | 53 Ų | 53 | 49 Ų | 49 | 37% | 0.371 | 29% | 0.294 | S | S | . | . | trans | -140 | 140.5 | -176.4 | 178.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 238 | F | 90.9 | Very high | 76.6 | Confident | 7 Ų | 7 | 46.5 Ų | 46.5 | 3% | 0.031 | 28% | 0.277 | C | S | . | . | trans | -128.7 | 78 | -178.2 | -58.6 | -82.8 | 0 | 0 | 0 | 111 | P233 H235 S240 V241 H242 I273 L277 E281 | P233-F238 HydrophobicContact CG-CE1 4.36Å; H235-F238 WeakPolarHBondContact O-CZ 3.42Å; F238-S240 PolarHBondContact O-N 3.01Å; F238-V241 HydrophobicContact CB-CG2 4.25Å; F238-V241 PolarHBondContact O-N 2.72Å; F238-V241 VanDerWaalsContact O-N 3.16Å; F238-H242 PolarHBondContact O-N 3.32Å; F238-I273 HydrophobicContact CB-CD1 4Å; F238-I273 HydrophobicContact CD1-CD1 3.68Å; F238-I273 HydrophobicContact CD1-CG1 3.68Å; F238-I273 HydrophobicContact CD1-CG2 4.18Å; F238-I273 HydrophobicContact CD2-CG2 3.76Å; F238-I273 HydrophobicContact CE1-CB 4.33Å; F238-I273 HydrophobicContact CE1-CD1 4.31Å; F238-I273 HydrophobicContact CE1-CG1 3.79Å; F238-I273 HydrophobicContact CE1-CG2 4.05Å; F238-I273 HydrophobicContact CE2-CG2 3.65Å; F238-I273 HydrophobicContact CG-CD1 3.81Å; F238-I273 HydrophobicContact CG-CG1 4.17Å; F238-I273 HydrophobicContact CG-CG2 4.04Å; F238-I273 HydrophobicContact CZ-CB 4.45Å; F238-I273 HydrophobicContact CZ-CG1 4.39Å; F238-I273 HydrophobicContact CZ-CG2 3.8Å; F238-L277 HydrophobicContact CE2-CB 3.95Å; F238-L277 HydrophobicContact CE2-CD1 4.08Å; F238-E281 HydrophobicContact CB-CG 4.23Å; F238-E281 PolarHBondContact N-OE2 2.91Å; F238-E281 VanDerWaalsContact N-OE2 3.11Å; F238-E281 WeakPolarHBondContact O-CG 3.43Å | ||
| 239 | P | 92.4 | Very high | 78.5 | Confident | 5 Ų | 5 | 43.7 Ų | 43.7 | 3% | 0.032 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -48.3 | -31.9 | 178.8 | -32.4 | 35.4 | 0 | 0 | 0 | 115.5 | H242 A243 G721 E765 L766 | P239-H242 PolarHBondContact O-N 3.19Å; P239-A243 WeakPolarHBondContact O-CB 3.38Å; P239-A243 PolarHBondContact O-N 2.88Å; P239-G721 WeakPolarHBondContact CB-O 3.33Å; P239-E765 HydrophobicContact CB-CB 4.11Å; P239-E765 WeakPolarHBondContact CD-OE2 3.42Å; P239-L766 HydrophobicContact CB-CD2 4.05Å; P239-L766 HydrophobicContact CB-CG 4.35Å |
| 240 | S | 93.9 | Very high | 80.4 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.6 | -49.6 | 178.7 | 61 | 0 | 0 | 0 | 0 | 112.3 | F238 H242 F244 I267 Q271 E765 S769 | F238-S240 PolarHBondContact O-N 3.01Å; S240-H242 VanDerWaalsContact C-N 3.34Å; S240-F244 WeakPolarHBondContact O-CB 3.43Å; S240-F244 PolarHBondContact O-N 3.18Å; S240-I267 VanDerWaalsContact OG-CG2 3.29Å; S240-I267 WeakPolarHBondContact OG-CG2 3.34Å; S240-Q271 VanDerWaalsContact OG-CD 3.23Å; S240-Q271 PolarHBondContact OG-NE2 2.96Å; S240-Q271 PolarHBondContact OG-OE1 3.41Å; S240-Q271 VanDerWaalsContact OG-OE1 3.05Å; S240-E765 PolarHBondContact N-OE2 3.08Å; S240-S769 WeakPolarHBondContact CA-OG 3.35Å; S240-S769 PolarHBondContact O-OG 3.18Å |
| 241 | V | 95.6 | Very high | 82.2 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.6 | -46.4 | 177.4 | 178.1 | 0 | 0 | 0 | 0 | 109.3 | F238 F244 I245 L264 I267 I273 F278 E281 I282 | F238-V241 HydrophobicContact CB-CG2 4.25Å; F238-V241 PolarHBondContact O-N 2.72Å; F238-V241 VanDerWaalsContact O-N 3.16Å; V241-F244 PolarHBondContact O-N 3.14Å; V241-I245 HydrophobicContact CG1-CG1 4.48Å; V241-I245 WeakPolarHBondContact O-CG1 3.46Å; V241-I245 PolarHBondContact O-N 3.07Å; V241-L264 HydrophobicContact CG1-CD2 4.21Å; V241-I267 HydrophobicContact CG2-CG2 3.56Å; V241-I273 HydrophobicContact CG2-CD1 3.51Å; V241-F278 HydrophobicContact CG1-CD2 4.37Å; V241-F278 HydrophobicContact CG1-CE2 4.18Å; V241-F278 HydrophobicContact CG2-CD2 3.94Å; V241-F278 HydrophobicContact CG2-CE2 3.89Å; V241-E281 HydrophobicContact CB-CB 4.25Å; V241-E281 HydrophobicContact CB-CG 3.87Å; V241-E281 HydrophobicContact CG1-CB 4.02Å; V241-E281 HydrophobicContact CG1-CG 4.06Å; V241-I282 HydrophobicContact CG1-CG1 3.8Å |
| 242 | H | 95 | Very high | 84 | Confident | 12 Ų | 12 | 29.8 Ų | 29.8 | 6% | 0.056 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.3 | -53.7 | -178.8 | -162.8 | 110.3 | 0 | 0 | 0 | 111.7 | F238 P239 S240 F244 I245 M246 E281 A285 | F238-H242 PolarHBondContact O-N 3.32Å; P239-H242 PolarHBondContact O-N 3.19Å; S240-H242 VanDerWaalsContact C-N 3.34Å; H242-F244 VanDerWaalsContact C-N 3.29Å; H242-F244 PolarHBondContact O-N 3.22Å; H242-I245 PolarHBondContact O-N 2.88Å; H242-M246 VanDerWaalsContact O-CG 3.31Å; H242-M246 WeakPolarHBondContact O-CG 3.21Å; H242-M246 PolarHBondContact O-N 3.35Å; H242-E281 HydrophobicContact CB-CG 4.05Å; H242-E281 IonicContact CG-OE1 3.88Å; H242-E281 IonicContact ND1-OE1 2.96Å; H242-E281 PolarHBondContact ND1-OE1 3.4Å; H242-A285 HydrophobicContact CB-CB 4.48Å; H242-A285 VanDerWaalsContact CE1-CA 3.44Å; H242-A285 WeakPolarHBondContact CE1-CA 3.08Å; H242-A285 PolarHBondContact CE1-N 3.36Å |
| 243 | A | 94.7 | Very high | 85.7 | Confident | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.008 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.7 | -34.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | P239 M246 L247 V723 L766 | P239-A243 WeakPolarHBondContact O-CB 3.38Å; P239-A243 PolarHBondContact O-N 2.88Å; A243-M246 PolarHBondContact O-N 3.12Å; A243-L247 WeakPolarHBondContact O-CB 3.28Å; A243-L247 PolarHBondContact O-N 3.03Å; A243-V723 HydrophobicContact CB-CB 4.26Å; A243-V723 HydrophobicContact CB-CG2 3.67Å; A243-L766 HydrophobicContact CB-CD2 4.48Å |
| 244 | F | 95.2 | Very high | 87.2 | Confident | 1 Ų | 1 | 25.7 Ų | 25.7 | 0% | 0.004 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -69.9 | -41.8 | 177.1 | -177.7 | -117.7 | 0 | 0 | 0 | 112.2 | S240 V241 H242 M246 L247 E248 L260 Q263 L264 I267 C772 | S240-F244 WeakPolarHBondContact O-CB 3.43Å; S240-F244 PolarHBondContact O-N 3.18Å; V241-F244 PolarHBondContact O-N 3.14Å; H242-F244 VanDerWaalsContact C-N 3.29Å; H242-F244 PolarHBondContact O-N 3.22Å; F244-M246 VanDerWaalsContact C-N 3.32Å; F244-L247 PolarHBondContact O-N 3.39Å; F244-E248 HydrophobicContact CD2-CG 4.3Å; F244-E248 HydrophobicContact CE1-CG 4.15Å; F244-E248 HydrophobicContact CE2-CG 3.8Å; F244-E248 WeakPolarHBondContact CE2-OE1 3.43Å; F244-E248 HydrophobicContact CZ-CG 3.7Å; F244-E248 VanDerWaalsContact CZ-OE1 3.28Å; F244-E248 WeakPolarHBondContact CZ-OE1 3.48Å; F244-E248 WeakPolarHBondContact O-CB 3.46Å; F244-E248 WeakPolarHBondContact O-CG 3.39Å; F244-E248 PolarHBondContact O-N 3.4Å; F244-L260 HydrophobicContact CD1-CD1 4.32Å; F244-L260 HydrophobicContact CE1-CD1 3.52Å; F244-L260 HydrophobicContact CZ-CD1 4.02Å; F244-Q263 HydrophobicContact CD1-CG 4.3Å; F244-Q263 HydrophobicContact CD2-CG 4.36Å; F244-Q263 HydrophobicContact CE1-CB 3.75Å; F244-Q263 HydrophobicContact CE1-CG 3.59Å; F244-Q263 HydrophobicContact CE2-CB 4.46Å; F244-Q263 HydrophobicContact CE2-CG 3.72Å; F244-Q263 HydrophobicContact CZ-CB 3.59Å; F244-Q263 HydrophobicContact CZ-CG 3.3Å; F244-L264 HydrophobicContact CD1-CD2 3.92Å; F244-L264 HydrophobicContact CD1-CG 4.13Å; F244-L264 HydrophobicContact CE1-CD2 4.34Å; F244-L264 HydrophobicContact CE1-CG 4.02Å; F244-I267 HydrophobicContact CB-CD1 3.94Å; F244-I267 HydrophobicContact CD1-CD1 3.83Å; F244-I267 HydrophobicContact CG-CD1 3.93Å; F244-C772 HydrophobicContact CD2-CB 4.15Å; F244-C772 HydrophobicContact CE2-CB 4.16Å |
| 245 | I | 96.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.9 | -39.3 | 172.3 | -66.7 | -65.4 | 0 | 0 | 0 | 111 | V241 H242 L247 E248 G249 L260 L264 I282 A285 F305 I310 | V241-I245 HydrophobicContact CG1-CG1 4.48Å; V241-I245 WeakPolarHBondContact O-CG1 3.46Å; V241-I245 PolarHBondContact O-N 3.07Å; H242-I245 PolarHBondContact O-N 2.88Å; I245-L247 PolarHBondContact O-N 3.4Å; I245-E248 PolarHBondContact O-N 2.68Å; I245-G249 PolarHBondContact O-N 2.96Å; I245-L260 HydrophobicContact CD1-CD1 4.47Å; I245-L264 HydrophobicContact CD1-CD1 4.03Å; I245-L264 HydrophobicContact CD1-CD2 4.02Å; I245-L264 HydrophobicContact CD1-CG 4.5Å; I245-L264 HydrophobicContact CG1-CD2 4.39Å; I245-I282 HydrophobicContact CD1-CG1 4.26Å; I245-I282 HydrophobicContact CD1-CG2 4.12Å; I245-I282 HydrophobicContact CG1-CG1 4.19Å; I245-I282 HydrophobicContact CG1-CG2 4.34Å; I245-A285 HydrophobicContact CB-CB 3.67Å; I245-A285 HydrophobicContact CG2-CB 3.51Å; I245-F305 HydrophobicContact CG2-CE1 3.86Å; I245-F305 HydrophobicContact CG2-CZ 4.34Å; I245-I310 HydrophobicContact CD1-CD1 4.03Å |
| 246 | M | 94.1 | Very high | 89.5 | Confident | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59.9 | -43.6 | 173.6 | -72.2 | -62.2 | -68.9 | 0 | 0 | 112.5 | H242 A243 F244 T250 A285 W302 W722 V723 L728 | H242-M246 VanDerWaalsContact O-CG 3.31Å; H242-M246 WeakPolarHBondContact O-CG 3.21Å; H242-M246 PolarHBondContact O-N 3.35Å; A243-M246 PolarHBondContact O-N 3.12Å; F244-M246 VanDerWaalsContact C-N 3.32Å; M246-T250 VanDerWaalsContact O-CB 3.27Å; M246-T250 WeakPolarHBondContact O-CB 3.47Å; M246-T250 PolarHBondContact O-N 3.15Å; M246-T250 PolarHBondContact O-OG1 3.24Å; M246-A285 HydrophobicContact CG-CB 4.43Å; M246-W302 HydrophobicContact CE-CH2 4.44Å; M246-W302 HydrophobicContact CE-CZ2 4.16Å; M246-W302 HydrophobicContact SD-CH2 3.66Å; M246-W302 HydrophobicContact SD-CZ2 3.99Å; M246-W722 HydrophobicContact CE-CZ3 4.22Å; M246-V723 WeakPolarHBondContact CB-O 3.43Å; M246-V723 WeakPolarHBondContact CG-O 3.41Å; M246-L728 HydrophobicContact CB-CD1 4.26Å; M246-L728 WeakPolarHBondContact O-CD1 3.48Å |
| 247 | L | 93 | Very high | 90.5 | Very high | 2 Ų | 2 | 18.5 Ų | 18.5 | 1% | 0.01 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -62.1 | -47.8 | 175.1 | -177.7 | 148.3 | 0 | 0 | 0 | 111.6 | A243 F244 I245 T250 M251 L728 S769 C772 L773 | A243-L247 WeakPolarHBondContact O-CB 3.28Å; A243-L247 PolarHBondContact O-N 3.03Å; F244-L247 PolarHBondContact O-N 3.39Å; I245-L247 PolarHBondContact O-N 3.4Å; L247-T250 PolarHBondContact O-N 2.93Å; L247-M251 WeakPolarHBondContact O-CB 3.42Å; L247-M251 PolarHBondContact O-N 2.99Å; L247-L728 HydrophobicContact CB-CD1 4.28Å; L247-L728 HydrophobicContact CB-CD2 4.01Å; L247-L728 HydrophobicContact CD1-CD2 4.05Å; L247-L728 HydrophobicContact CG-CD2 4.23Å; L247-S769 WeakPolarHBondContact CD1-O 3.46Å; L247-C772 HydrophobicContact CD1-CB 4.16Å; L247-L773 HydrophobicContact CD1-CD2 3.84Å; L247-L773 HydrophobicContact CD1-CG 3.88Å; L247-L773 HydrophobicContact CG-CD2 4.47Å |
| 248 | E | 92.2 | Very high | 90.9 | Very high | 4 Ų | 4 | 19.7 Ų | 19.7 | 2% | 0.019 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -68.9 | -38.1 | -177 | -71.7 | -82.7 | 177.7 | 0 | 0 | 112.7 | F244 I245 N252 L253 L260 F305 R831 | F244-E248 HydrophobicContact CD2-CG 4.3Å; F244-E248 HydrophobicContact CE1-CG 4.15Å; F244-E248 HydrophobicContact CE2-CG 3.8Å; F244-E248 WeakPolarHBondContact CE2-OE1 3.43Å; F244-E248 HydrophobicContact CZ-CG 3.7Å; F244-E248 VanDerWaalsContact CZ-OE1 3.28Å; F244-E248 WeakPolarHBondContact CZ-OE1 3.48Å; F244-E248 WeakPolarHBondContact O-CB 3.46Å; F244-E248 WeakPolarHBondContact O-CG 3.39Å; F244-E248 PolarHBondContact O-N 3.4Å; I245-E248 PolarHBondContact O-N 2.68Å; E248-N252 CarbonylContact O-C 3.28Å; E248-N252 VanDerWaalsContact O-C 3.28Å; E248-N252 WeakPolarHBondContact O-CA 3.28Å; E248-N252 PolarHBondContact O-N 3.43Å; E248-N252 WeakPolarHBondContact OE2-CB 3.4Å; E248-L253 PolarHBondContact O-N 2.58Å; E248-L260 HydrophobicContact CB-CD1 4.25Å; E248-L260 HydrophobicContact CG-CD1 3.79Å; E248-F305 HydrophobicContact CB-CE2 4.3Å; E248-F305 HydrophobicContact CB-CZ 4.15Å; E248-R831 IonicContact OE1-CZ 3.7Å; E248-R831 IonicContact OE1-NE 2.68Å; E248-R831 PolarHBondContact OE1-NE 2.76Å; E248-R831 IonicContact OE1-NH2 2.71Å; E248-R831 PolarHBondContact OE1-NH2 3.24Å |
| 249 | G | 91.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -69.9 | -34.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | I245 | I245-G249 PolarHBondContact O-N 2.96Å |
| 250 | T | 88.9 | Confident | 90.6 | Very high | 8 Ų | 8 | 20.3 Ų | 20.3 | 5% | 0.049 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -79.6 | -46.4 | 179.5 | -55.3 | 0 | 0 | 0 | 0 | 112.2 | M246 L247 W302 S725 H729 | M246-T250 VanDerWaalsContact O-CB 3.27Å; M246-T250 WeakPolarHBondContact O-CB 3.47Å; M246-T250 PolarHBondContact O-N 3.15Å; M246-T250 PolarHBondContact O-OG1 3.24Å; L247-T250 PolarHBondContact O-N 2.93Å; T250-W302 WeakPolarHBondContact OG1-CZ2 3.44Å; T250-S725 WeakPolarHBondContact CG2-OG 3.44Å; T250-H729 WeakPolarHBondContact CG2-NE2 3.26Å |
| 251 | M | 84.8 | Confident | 90.5 | Very high | 41 Ų | 41 | 20.3 Ų | 20.3 | 20% | 0.202 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -106.6 | -28.1 | -166 | -58.6 | -60.6 | -167.7 | 0 | 0 | 114 | L247 L728 H729 E732 | L247-M251 WeakPolarHBondContact O-CB 3.42Å; L247-M251 PolarHBondContact O-N 2.99Å; M251-L728 HydrophobicContact CE-CB 3.78Å; M251-H729 HydrophobicContact CE-CB 4.2Å; M251-H729 VanDerWaalsContact CE-CE1 3.5Å; M251-H729 WeakPolarHBondContact CE-CE1 3.39Å; M251-H729 WeakPolarHBondContact CE-ND1 3.47Å; M251-H729 PolarHBondContact SD-CE1 2.96Å; M251-E732 HydrophobicContact CE-CB 4.41Å; M251-E732 WeakPolarHBondContact CE-OE2 3.44Å |
| 252 | N | 84.8 | Confident | 90.1 | Very high | 27 Ų | 27 | 22.5 Ų | 22.5 | 14% | 0.144 | 12% | 0.119 | C | C | . | . | trans | -126.2 | 36.8 | -162.9 | -65.4 | -40.4 | 0 | 0 | 0 | 113.5 | E248 T254 G255 K309 | E248-N252 CarbonylContact O-C 3.28Å; E248-N252 VanDerWaalsContact O-C 3.28Å; E248-N252 WeakPolarHBondContact O-CA 3.28Å; E248-N252 PolarHBondContact O-N 3.43Å; E248-N252 WeakPolarHBondContact OE2-CB 3.4Å; N252-T254 PolarHBondContact O-N 3.37Å; N252-G255 PolarHBondContact O-N 3.31Å; N252-K309 PolarHBondContact O-NZ 3.06Å | ||
| 253 | L | 89.9 | Confident | 89.8 | Confident | 7 Ų | 7 | 22.2 Ų | 22.2 | 4% | 0.037 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | -36.4 | 178.7 | -176.3 | 60.7 | 0 | 0 | 0 | 112.7 | E248 G255 K301 F305 K309 A455 A456 Y506 | E248-L253 PolarHBondContact O-N 2.58Å; L253-G255 VanDerWaalsContact C-N 3.33Å; L253-K301 HydrophobicContact CD2-CB 3.76Å; L253-K301 HydrophobicContact CD2-CG 3.76Å; L253-F305 HydrophobicContact CD1-CB 3.82Å; L253-F305 HydrophobicContact CD1-CD2 3.81Å; L253-F305 HydrophobicContact CD1-CG 4.32Å; L253-K309 HydrophobicContact CD1-CD 4.19Å; L253-K309 PolarHBondContact O-NZ 3.19Å; L253-A455 HydrophobicContact CD2-CB 3.89Å; L253-A455 HydrophobicContact CG-CB 3.94Å; L253-A456 HydrophobicContact CD1-CB 3.96Å; L253-Y506 HydrophobicContact CD2-CE1 4.25Å |
| 254 | T | 88.3 | Confident | 89.7 | Confident | 44 Ų | 44 | 22.1 Ų | 22.1 | 27% | 0.27 | 12% | 0.117 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -9 | 179.2 | 54.4 | 0 | 0 | 0 | 0 | 114.2 | N252 A455 L460 Y506 V510 | N252-T254 PolarHBondContact O-N 3.37Å; T254-A455 HydrophobicContact CG2-CB 3.94Å; T254-L460 HydrophobicContact CG2-CD2 3.61Å; T254-Y506 HydrophobicContact CG2-CD1 3.74Å; T254-Y506 HydrophobicContact CG2-CG 4.14Å; T254-V510 HydrophobicContact CG2-CG2 4.07Å |
| 255 | G | 84.4 | Confident | 89.4 | Confident | 16 Ų | 16 | 22.7 Ų | 22.7 | 17% | 0.165 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -64.3 | 148.1 | -179 | 0 | 0 | 0 | 0 | 0 | 112.7 | N252 L253 K309 | N252-G255 PolarHBondContact O-N 3.31Å; L253-G255 VanDerWaalsContact C-N 3.33Å; G255-K309 WeakPolarHBondContact O-CE 3.49Å; G255-K309 PolarHBondContact O-NZ 3.03Å |
| 256 | E | 84.9 | Confident | 89 | Confident | 139 Ų | 139 | 23.6 Ų | 23.6 | 65% | 0.65 | 12% | 0.124 | S | C | * | . | trans | -60.8 | 149.4 | 175.6 | -64.3 | -174.6 | 177.2 | 0 | 0 | 111.8 | Q258 P259 | E256-Q258 VanDerWaalsContact C-N 3.35Å; E256-Q258 PolarHBondContact O-N 2.92Å; E256-P259 HydrophobicContact CB-CG 4.38Å; E256-P259 WeakPolarHBondContact O-CD 3.38Å | ||
| 257 | T | 88.9 | Confident | 88.8 | Confident | 20 Ų | 20 | 23.6 Ų | 23.6 | 12% | 0.123 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -72.6 | -28.1 | -178.2 | -38.4 | 0 | 0 | 0 | 0 | 112.9 | L260 V261 V313 R316 | T257-L260 WeakPolarHBondContact O-CB 3.29Å; T257-L260 PolarHBondContact O-N 3.46Å; T257-V261 HydrophobicContact CG2-CG2 4.26Å; T257-V261 VanDerWaalsContact O-CG2 3.3Å; T257-V261 WeakPolarHBondContact O-CG2 3.5Å; T257-V261 PolarHBondContact O-N 3.3Å; T257-V313 HydrophobicContact CG2-CB 4.12Å; T257-V313 HydrophobicContact CG2-CG2 3.38Å; T257-R316 VanDerWaalsContact CB-CZ 3.48Å; T257-R316 PolarHBondContact OG1-NH1 3.22Å |
| 258 | Q | 88.6 | Confident | 88.6 | Confident | 78 Ų | 78 | 24.5 Ų | 24.5 | 36% | 0.364 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -66.4 | -47.4 | -173.5 | -176.3 | 64.7 | 23.8 | 0 | 0 | 112.9 | E256 L260 V261 E262 | E256-Q258 VanDerWaalsContact C-N 3.35Å; E256-Q258 PolarHBondContact O-N 2.92Å; Q258-L260 PolarHBondContact O-N 3.43Å; Q258-V261 PolarHBondContact O-N 2.84Å; Q258-V261 VanDerWaalsContact O-N 3.15Å; Q258-E262 PolarHBondContact NE2-OE1 2.91Å; Q258-E262 WeakPolarHBondContact O-CG 3.05Å; Q258-E262 PolarHBondContact O-N 3.13Å |
| 259 | P | 86.7 | Confident | 88.2 | Confident | 25 Ų | 25 | 28.1 Ų | 28.1 | 16% | 0.162 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60.9 | -30.7 | 174.6 | -25.4 | 35.3 | 0 | 0 | 0 | 114.2 | E256 Q263 R831 | E256-P259 HydrophobicContact CB-CG 4.38Å; E256-P259 WeakPolarHBondContact O-CD 3.38Å; P259-Q263 WeakPolarHBondContact O-CB 3.46Å; P259-Q263 PolarHBondContact O-N 2.98Å; P259-R831 VanDerWaalsContact C-NH2 3.3Å; P259-R831 PolarHBondContact O-NH2 3.39Å |
| 260 | L | 90.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -66.5 | -48.4 | 173.8 | 171.6 | 53.4 | 0 | 0 | 0 | 110.6 | F244 I245 E248 T257 Q258 E262 Q263 L264 V313 | F244-L260 HydrophobicContact CD1-CD1 4.32Å; F244-L260 HydrophobicContact CE1-CD1 3.52Å; F244-L260 HydrophobicContact CZ-CD1 4.02Å; I245-L260 HydrophobicContact CD1-CD1 4.47Å; E248-L260 HydrophobicContact CB-CD1 4.25Å; E248-L260 HydrophobicContact CG-CD1 3.79Å; T257-L260 WeakPolarHBondContact O-CB 3.29Å; T257-L260 PolarHBondContact O-N 3.46Å; Q258-L260 PolarHBondContact O-N 3.43Å; L260-E262 PolarHBondContact O-N 3.06Å; L260-Q263 PolarHBondContact O-N 3.37Å; L260-L264 HydrophobicContact CD1-CD1 3.78Å; L260-L264 HydrophobicContact CD1-CG 4.03Å; L260-L264 HydrophobicContact CG-CD1 4.09Å; L260-L264 VanDerWaalsContact O-CB 3.25Å; L260-L264 WeakPolarHBondContact O-CB 3.33Å; L260-L264 WeakPolarHBondContact O-CG 3.41Å; L260-L264 PolarHBondContact O-N 3.43Å; L260-V313 HydrophobicContact CD2-CG1 4.48Å; L260-V313 HydrophobicContact CD2-CG2 3.51Å; L260-V313 HydrophobicContact CG-CG1 4.34Å; L260-V313 HydrophobicContact CG-CG2 4.14Å |
| 261 | V | 91.4 | Very high | 87.7 | Confident | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.006 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.6 | -45 | 177.6 | 170.3 | 0 | 0 | 0 | 0 | 111.8 | T257 Q258 L264 M265 V313 R316 L317 Y320 | T257-V261 HydrophobicContact CG2-CG2 4.26Å; T257-V261 VanDerWaalsContact O-CG2 3.3Å; T257-V261 WeakPolarHBondContact O-CG2 3.5Å; T257-V261 PolarHBondContact O-N 3.3Å; Q258-V261 PolarHBondContact O-N 2.84Å; Q258-V261 VanDerWaalsContact O-N 3.15Å; V261-L264 PolarHBondContact O-N 3.46Å; V261-M265 WeakPolarHBondContact O-CB 3.23Å; V261-M265 WeakPolarHBondContact O-CG 3.33Å; V261-M265 PolarHBondContact O-N 2.93Å; V261-V313 HydrophobicContact CG2-CG1 3.87Å; V261-R316 HydrophobicContact CG2-CB 3.78Å; V261-L317 HydrophobicContact CG1-CD2 3.8Å; V261-L317 HydrophobicContact CG1-CG 4.18Å; V261-L317 HydrophobicContact CG2-CG 4.46Å; V261-Y320 HydrophobicContact CG1-CD2 4.24Å |
| 262 | E | 88 | Confident | 87.6 | Confident | 46 Ų | 46 | 30.6 Ų | 30.6 | 22% | 0.215 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.5 | -44.6 | -179.2 | -73 | 174.4 | 176.1 | 0 | 0 | 111.9 | Q258 L260 M265 M266 | Q258-E262 PolarHBondContact NE2-OE1 2.91Å; Q258-E262 WeakPolarHBondContact O-CG 3.05Å; Q258-E262 PolarHBondContact O-N 3.13Å; L260-E262 PolarHBondContact O-N 3.06Å; E262-M265 PolarHBondContact O-N 2.72Å; E262-M266 PolarHBondContact O-N 3.28Å |
| 263 | Q | 89.4 | Confident | 87.7 | Confident | 5 Ų | 5 | 29.6 Ų | 29.6 | 2% | 0.023 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -67.3 | -40.8 | 177.5 | -172.2 | 67.9 | 2 | 0 | 0 | 112.1 | F244 P259 L260 M265 M266 I267 Y768 S818 | F244-Q263 HydrophobicContact CD1-CG 4.3Å; F244-Q263 HydrophobicContact CD2-CG 4.36Å; F244-Q263 HydrophobicContact CE1-CB 3.75Å; F244-Q263 HydrophobicContact CE1-CG 3.59Å; F244-Q263 HydrophobicContact CE2-CB 4.46Å; F244-Q263 HydrophobicContact CE2-CG 3.72Å; F244-Q263 HydrophobicContact CZ-CB 3.59Å; F244-Q263 HydrophobicContact CZ-CG 3.3Å; P259-Q263 WeakPolarHBondContact O-CB 3.46Å; P259-Q263 PolarHBondContact O-N 2.98Å; L260-Q263 PolarHBondContact O-N 3.37Å; Q263-M265 VanDerWaalsContact C-N 3.34Å; Q263-M265 PolarHBondContact O-N 3.47Å; Q263-M266 WeakPolarHBondContact O-CB 3.34Å; Q263-M266 PolarHBondContact O-N 2.98Å; Q263-I267 WeakPolarHBondContact O-CG1 3.35Å; Q263-I267 PolarHBondContact O-N 3.46Å; Q263-Y768 PolarHBondContact NE2-OH 3.37Å; Q263-S818 VanDerWaalsContact CD-OG 3.29Å; Q263-S818 PolarHBondContact NE2-OG 3.33Å; Q263-S818 PolarHBondContact OE1-OG 3.02Å |
| 264 | L | 92.4 | Very high | 87.7 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.1 | -42.8 | 174.1 | -88.4 | 176.9 | 0 | 0 | 0 | 112.2 | V241 F244 I245 L260 V261 M266 I267 K268 F278 I282 V313 | V241-L264 HydrophobicContact CG1-CD2 4.21Å; F244-L264 HydrophobicContact CD1-CD2 3.92Å; F244-L264 HydrophobicContact CD1-CG 4.13Å; F244-L264 HydrophobicContact CE1-CD2 4.34Å; F244-L264 HydrophobicContact CE1-CG 4.02Å; I245-L264 HydrophobicContact CD1-CD1 4.03Å; I245-L264 HydrophobicContact CD1-CD2 4.02Å; I245-L264 HydrophobicContact CD1-CG 4.5Å; I245-L264 HydrophobicContact CG1-CD2 4.39Å; L260-L264 HydrophobicContact CD1-CD1 3.78Å; L260-L264 HydrophobicContact CD1-CG 4.03Å; L260-L264 HydrophobicContact CG-CD1 4.09Å; L260-L264 VanDerWaalsContact O-CB 3.25Å; L260-L264 WeakPolarHBondContact O-CB 3.33Å; L260-L264 WeakPolarHBondContact O-CG 3.41Å; L260-L264 PolarHBondContact O-N 3.43Å; V261-L264 PolarHBondContact O-N 3.46Å; L264-M266 VanDerWaalsContact C-N 3.34Å; L264-I267 PolarHBondContact O-N 3.01Å; L264-K268 WeakPolarHBondContact O-CB 3.26Å; L264-K268 PolarHBondContact O-N 2.95Å; L264-F278 HydrophobicContact CB-CZ 3.95Å; L264-F278 HydrophobicContact CD2-CE2 4.19Å; L264-F278 HydrophobicContact CD2-CZ 4.02Å; L264-F278 HydrophobicContact CG-CZ 4.45Å; L264-I282 HydrophobicContact CD1-CD1 4.31Å; L264-I282 HydrophobicContact CD2-CD1 4.43Å; L264-V313 HydrophobicContact CD1-CG1 3.82Å |
| 265 | M | 88.4 | Confident | 87.7 | Confident | 13 Ų | 13 | 29.6 Ų | 29.6 | 6% | 0.064 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -68 | -34.4 | 174.7 | -73.2 | -58.7 | -67.2 | 0 | 0 | 112.3 | V261 E262 Q263 K268 R269 L317 Y320 | V261-M265 WeakPolarHBondContact O-CB 3.23Å; V261-M265 WeakPolarHBondContact O-CG 3.33Å; V261-M265 PolarHBondContact O-N 2.93Å; E262-M265 PolarHBondContact O-N 2.72Å; Q263-M265 VanDerWaalsContact C-N 3.34Å; Q263-M265 PolarHBondContact O-N 3.47Å; M265-K268 HydrophobicContact CE-CD 4.44Å; M265-K268 PolarHBondContact O-N 2.83Å; M265-K268 HydrophobicContact SD-CD 4.13Å; M265-R269 WeakPolarHBondContact O-CB 3.45Å; M265-R269 VanDerWaalsContact O-CG 3.22Å; M265-R269 WeakPolarHBondContact O-CG 3.26Å; M265-R269 PolarHBondContact O-N 3.31Å; M265-L317 HydrophobicContact CG-CD2 3.53Å; M265-L317 HydrophobicContact SD-CD2 3.46Å; M265-L317 WeakPolarHBondContact SD-CD2 3.13Å; M265-Y320 HydrophobicContact CE-CD1 3.95Å; M265-Y320 HydrophobicContact CE-CE1 4.49Å; M265-Y320 HydrophobicContact CE-CG 4.16Å; M265-Y320 HydrophobicContact CG-CD2 3.99Å; M265-Y320 HydrophobicContact CG-CE2 4.18Å; M265-Y320 HydrophobicContact CG-CG 4.22Å |
| 266 | M | 87.3 | Confident | 88.1 | Confident | 19 Ų | 19 | 29.8 Ų | 29.8 | 9% | 0.094 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -59.8 | -50.8 | 172 | -172.3 | 62.8 | 78.9 | 0 | 0 | 110.5 | E262 Q263 L264 K268 R269 M270 L817 S821 Q937 | E262-M266 PolarHBondContact O-N 3.28Å; Q263-M266 WeakPolarHBondContact O-CB 3.34Å; Q263-M266 PolarHBondContact O-N 2.98Å; L264-M266 VanDerWaalsContact C-N 3.34Å; M266-K268 PolarHBondContact O-N 3.36Å; M266-R269 PolarHBondContact O-N 2.99Å; M266-M270 HydrophobicContact CG-CE 3.98Å; M266-M270 HydrophobicContact CG-CG 4.28Å; M266-M270 HydrophobicContact CG-SD 3.97Å; M266-M270 WeakPolarHBondContact O-CB 3.45Å; M266-M270 VanDerWaalsContact O-CG 3.3Å; M266-M270 WeakPolarHBondContact O-CG 3.46Å; M266-M270 PolarHBondContact O-N 3.46Å; M266-M270 HydrophobicContact SD-CG 4.25Å; M266-M270 HydrophobicContact SD-SD 4.35Å; M266-L817 HydrophobicContact SD-CB 4.49Å; M266-S821 WeakPolarHBondContact CE-OG 3.32Å; M266-Q937 PolarHBondContact SD-OE1 3.04Å; M266-Q937 VanDerWaalsContact SD-OE1 3.33Å |
| 267 | I | 90.7 | Very high | 88.4 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -59.1 | -49.5 | 176.8 | -63.2 | 166.5 | 0 | 0 | 0 | 111.1 | S240 V241 F244 Q263 L264 R269 M270 Q271 I273 Y768 | S240-I267 VanDerWaalsContact OG-CG2 3.29Å; S240-I267 WeakPolarHBondContact OG-CG2 3.34Å; V241-I267 HydrophobicContact CG2-CG2 3.56Å; F244-I267 HydrophobicContact CB-CD1 3.94Å; F244-I267 HydrophobicContact CD1-CD1 3.83Å; F244-I267 HydrophobicContact CG-CD1 3.93Å; Q263-I267 WeakPolarHBondContact O-CG1 3.35Å; Q263-I267 PolarHBondContact O-N 3.46Å; L264-I267 PolarHBondContact O-N 3.01Å; I267-R269 PolarHBondContact O-N 3.43Å; I267-M270 HydrophobicContact CG1-CE 4.37Å; I267-M270 PolarHBondContact O-N 3.35Å; I267-Q271 PolarHBondContact O-N 3.2Å; I267-I273 HydrophobicContact CG2-CD1 4.18Å; I267-Y768 HydrophobicContact CD1-CE1 3.9Å; I267-Y768 HydrophobicContact CG1-CD1 4.43Å; I267-Y768 HydrophobicContact CG1-CE1 3.57Å |
| 268 | K | 88.5 | Confident | 88.7 | Confident | 22 Ų | 22 | 24.4 Ų | 24.4 | 10% | 0.096 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -52.9 | -43 | 178.1 | -175.7 | -178.8 | 178.2 | -178.6 | 0 | 111.3 | L264 M265 M266 R272 I273 F278 | L264-K268 WeakPolarHBondContact O-CB 3.26Å; L264-K268 PolarHBondContact O-N 2.95Å; M265-K268 HydrophobicContact CE-CD 4.44Å; M265-K268 PolarHBondContact O-N 2.83Å; M265-K268 HydrophobicContact SD-CD 4.13Å; M266-K268 PolarHBondContact O-N 3.36Å; K268-R272 CarbonylContact O-C 3.55Å; K268-R272 VanDerWaalsContact O-CA 3.28Å; K268-R272 WeakPolarHBondContact O-CA 3.27Å; K268-R272 PolarHBondContact O-N 3.46Å; K268-I273 WeakPolarHBondContact CE-O 3.5Å; K268-I273 HydrophobicContact CG-CB 4.26Å; K268-I273 PolarHBondContact O-N 3.07Å; K268-F278 HydrophobicContact CB-CD2 3.95Å; K268-F278 HydrophobicContact CB-CE2 3.78Å; K268-F278 HydrophobicContact CB-CG 4.41Å; K268-F278 HydrophobicContact CB-CZ 4.07Å; K268-F278 HydrophobicContact CD-CD1 3.92Å; K268-F278 HydrophobicContact CD-CD2 4.47Å; K268-F278 HydrophobicContact CD-CE1 4.15Å; K268-F278 HydrophobicContact CD-CG 4.06Å; K268-F278 HydrophobicContact CG-CD1 4.46Å; K268-F278 HydrophobicContact CG-CD2 4.13Å; K268-F278 HydrophobicContact CG-CE2 4.4Å; K268-F278 HydrophobicContact CG-CG 4.15Å |
| 269 | R | 83.6 | Confident | 89 | Confident | 80 Ų | 80 | 20.7 Ų | 20.7 | 30% | 0.302 | 10% | 0.102 | S | C | . | . | H | α-helix | trans | -76.5 | -43.6 | -179.5 | -69 | 174.5 | -170.1 | 160.6 | 6.9 | 113.4 | M265 M266 I267 Q271 R272 Y320 Q937 | M265-R269 WeakPolarHBondContact O-CB 3.45Å; M265-R269 VanDerWaalsContact O-CG 3.22Å; M265-R269 WeakPolarHBondContact O-CG 3.26Å; M265-R269 PolarHBondContact O-N 3.31Å; M266-R269 PolarHBondContact O-N 2.99Å; I267-R269 PolarHBondContact O-N 3.43Å; R269-Q271 PolarHBondContact O-N 2.9Å; R269-R272 PolarHBondContact O-N 3.36Å; R269-Y320 VanDerWaalsContact NH2-CZ 3.25Å; R269-Y320 PolarHBondContact NH2-OH 2.67Å; R269-Y320 VanDerWaalsContact NH2-OH 3.15Å; R269-Q937 VanDerWaalsContact C-NE2 3.26Å; R269-Q937 HydrophobicContact CB-CG 3.82Å |
| 270 | M | 84.9 | Confident | 89.4 | Confident | 13 Ų | 13 | 20.2 Ų | 20.2 | 6% | 0.064 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -60.9 | -35.6 | -179.6 | -73.4 | -173.4 | -50.1 | 0 | 0 | 111.2 | M266 I267 Y768 W814 L817 Q937 | M266-M270 HydrophobicContact CG-CE 3.98Å; M266-M270 HydrophobicContact CG-CG 4.28Å; M266-M270 HydrophobicContact CG-SD 3.97Å; M266-M270 WeakPolarHBondContact O-CB 3.45Å; M266-M270 VanDerWaalsContact O-CG 3.3Å; M266-M270 WeakPolarHBondContact O-CG 3.46Å; M266-M270 PolarHBondContact O-N 3.46Å; M266-M270 HydrophobicContact SD-CG 4.25Å; M266-M270 HydrophobicContact SD-SD 4.35Å; I267-M270 HydrophobicContact CG1-CE 4.37Å; I267-M270 PolarHBondContact O-N 3.35Å; M270-Y768 HydrophobicContact CE-CE1 4.02Å; M270-Y768 HydrophobicContact CE-CE2 3.82Å; M270-Y768 VanDerWaalsContact CE-CZ 3.46Å; M270-Y768 VanDerWaalsContact CE-OH 3.23Å; M270-Y768 WeakPolarHBondContact CE-OH 3.46Å; M270-W814 HydrophobicContact CB-CZ2 4.49Å; M270-W814 HydrophobicContact CE-CB 4.3Å; M270-W814 HydrophobicContact CE-CD2 4.24Å; M270-W814 HydrophobicContact CE-CG 4.18Å; M270-W814 HydrophobicContact SD-CB 3.88Å; M270-W814 HydrophobicContact SD-CD2 4.26Å; M270-W814 HydrophobicContact SD-CG 3.71Å; M270-L817 HydrophobicContact SD-CD1 4.34Å; M270-Q937 VanDerWaalsContact CG-NE2 3.31Å |
| 271 | Q | 85.9 | Confident | 89.7 | Confident | 21 Ų | 21 | 20.5 Ų | 20.5 | 10% | 0.098 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | 0.1 | -179.8 | -62.2 | -172.3 | 6.5 | 0 | 0 | 113.7 | S240 I267 R269 I273 E765 W814 | S240-Q271 VanDerWaalsContact OG-CD 3.23Å; S240-Q271 PolarHBondContact OG-NE2 2.96Å; S240-Q271 PolarHBondContact OG-OE1 3.41Å; S240-Q271 VanDerWaalsContact OG-OE1 3.05Å; I267-Q271 PolarHBondContact O-N 3.2Å; R269-Q271 PolarHBondContact O-N 2.9Å; Q271-I273 VanDerWaalsContact C-N 3.27Å; Q271-I273 HydrophobicContact CB-CD1 4Å; Q271-I273 HydrophobicContact CB-CG1 3.6Å; Q271-I273 PolarHBondContact O-N 3.11Å; Q271-E765 PolarHBondContact OE1-OE2 2.64Å; Q271-W814 HydrophobicContact CG-CH2 3.53Å; Q271-W814 HydrophobicContact CG-CZ2 3.75Å; Q271-W814 HydrophobicContact CG-CZ3 4.38Å; Q271-W814 VanDerWaalsContact NE2-CZ3 3.29Å |
| 272 | R | 82.3 | Confident | 89.9 | Confident | 66 Ų | 66 | 20.5 Ų | 20.5 | 25% | 0.249 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.3 | 46.5 | -177.2 | -59.4 | -179 | 177.8 | 139.2 | 6.2 | 112.8 | S230 K268 R269 P274 E933 | S230-R272 VanDerWaalsContact OG-CD 3.3Å; S230-R272 WeakPolarHBondContact OG-CD 3.3Å; S230-R272 PolarHBondContact OG-NH1 3.35Å; K268-R272 CarbonylContact O-C 3.55Å; K268-R272 VanDerWaalsContact O-CA 3.28Å; K268-R272 WeakPolarHBondContact O-CA 3.27Å; K268-R272 PolarHBondContact O-N 3.46Å; R269-R272 PolarHBondContact O-N 3.36Å; R272-P274 WeakPolarHBondContact O-CD 3.28Å; R272-E933 PolarHBondContact NH2-O 3.11Å |
| 273 | I | 87.6 | Confident | 90.4 | Very high | 6 Ų | 6 | 18.3 Ų | 18.3 | 3% | 0.031 | 9% | 0.089 | C | C | . | . | trans | -72.8 | 125.7 | -173.6 | -48.6 | -178.7 | 0 | 0 | 0 | 110 | F238 V241 I267 K268 Q271 L277 F278 | F238-I273 HydrophobicContact CB-CD1 4Å; F238-I273 HydrophobicContact CD1-CD1 3.68Å; F238-I273 HydrophobicContact CD1-CG1 3.68Å; F238-I273 HydrophobicContact CD1-CG2 4.18Å; F238-I273 HydrophobicContact CD2-CG2 3.76Å; F238-I273 HydrophobicContact CE1-CB 4.33Å; F238-I273 HydrophobicContact CE1-CD1 4.31Å; F238-I273 HydrophobicContact CE1-CG1 3.79Å; F238-I273 HydrophobicContact CE1-CG2 4.05Å; F238-I273 HydrophobicContact CE2-CG2 3.65Å; F238-I273 HydrophobicContact CG-CD1 3.81Å; F238-I273 HydrophobicContact CG-CG1 4.17Å; F238-I273 HydrophobicContact CG-CG2 4.04Å; F238-I273 HydrophobicContact CZ-CB 4.45Å; F238-I273 HydrophobicContact CZ-CG1 4.39Å; F238-I273 HydrophobicContact CZ-CG2 3.8Å; V241-I273 HydrophobicContact CG2-CD1 3.51Å; I267-I273 HydrophobicContact CG2-CD1 4.18Å; K268-I273 WeakPolarHBondContact CE-O 3.5Å; K268-I273 HydrophobicContact CG-CB 4.26Å; K268-I273 PolarHBondContact O-N 3.07Å; Q271-I273 VanDerWaalsContact C-N 3.27Å; Q271-I273 HydrophobicContact CB-CD1 4Å; Q271-I273 HydrophobicContact CB-CG1 3.6Å; Q271-I273 PolarHBondContact O-N 3.11Å; I273-L277 HydrophobicContact CG2-CB 4.39Å; I273-F278 HydrophobicContact CB-CB 4.28Å; I273-F278 HydrophobicContact CB-CD2 4.45Å; I273-F278 HydrophobicContact CD1-CD2 4.16Å; I273-F278 HydrophobicContact CG2-CB 3.69Å; I273-F278 HydrophobicContact CG2-CD2 4.37Å | ||
| 274 | P | 88.1 | Confident | 90.6 | Very high | 44 Ų | 44 | 19.7 Ų | 19.7 | 29% | 0.286 | 10% | 0.095 | S | C | . | . | trans | -57.6 | 139.7 | 172.9 | -25.5 | 35.6 | 0 | 0 | 0 | 112 | P232 R272 L277 F278 | P232-P274 HydrophobicContact CB-CG 4.47Å; R272-P274 WeakPolarHBondContact O-CD 3.28Å; P274-L277 HydrophobicContact CB-CB 4.49Å; P274-L277 HydrophobicContact CB-CD1 4.35Å; P274-L277 HydrophobicContact CB-CG 4.4Å; P274-L277 HydrophobicContact CG-CD1 4.09Å; P274-L277 PolarHBondContact O-N 3.41Å; P274-L277 VanDerWaalsContact O-N 3.11Å; P274-F278 WeakPolarHBondContact O-CB 3.32Å; P274-F278 PolarHBondContact O-N 3.31Å | ||
| 275 | G | 89.6 | Confident | 90.8 | Very high | 8 Ų | 8 | 19.7 Ų | 19.7 | 8% | 0.082 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -46.9 | -52.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | L277 F278 V279 | G275-L277 PolarHBondContact O-N 2.81Å; G275-F278 WeakPolarHBondContact O-CB 3.44Å; G275-F278 PolarHBondContact O-N 2.86Å; G275-V279 PolarHBondContact O-N 3.43Å; G275-V279 VanDerWaalsContact O-N 3.14Å |
| 276 | P | 91.6 | Very high | 91.2 | Very high | 20 Ų | 20 | 19.1 Ų | 19.1 | 13% | 0.13 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -64.7 | -39.3 | -179.8 | -22.3 | 32.9 | 0 | 0 | 0 | 113.7 | F278 L280 D332 I335 A336 Y339 | P276-F278 VanDerWaalsContact C-N 3.34Å; P276-L280 VanDerWaalsContact O-CB 3.28Å; P276-L280 WeakPolarHBondContact O-CB 3.28Å; P276-L280 PolarHBondContact O-N 3.37Å; P276-D332 WeakPolarHBondContact CD-OD1 3.47Å; P276-D332 HydrophobicContact CG-CB 4.3Å; P276-I335 HydrophobicContact CB-CB 4.02Å; P276-I335 HydrophobicContact CB-CG2 3.69Å; P276-I335 HydrophobicContact CG-CB 4.16Å; P276-I335 HydrophobicContact CG-CD1 4.38Å; P276-I335 HydrophobicContact CG-CG2 4.01Å; P276-A336 VanDerWaalsContact O-CB 3.3Å; P276-A336 WeakPolarHBondContact O-CB 3.35Å; P276-Y339 HydrophobicContact CB-CD2 4.41Å; P276-Y339 HydrophobicContact CB-CE2 3.99Å |
| 277 | L | 92.6 | Very high | 91.6 | Very high | 44 Ų | 44 | 18.2 Ų | 18.2 | 23% | 0.23 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -70.3 | -34.1 | 178.9 | -64 | -178.3 | 0 | 0 | 0 | 111.8 | F238 I273 P274 G275 L280 E281 Y339 | F238-L277 HydrophobicContact CE2-CB 3.95Å; F238-L277 HydrophobicContact CE2-CD1 4.08Å; I273-L277 HydrophobicContact CG2-CB 4.39Å; P274-L277 HydrophobicContact CB-CB 4.49Å; P274-L277 HydrophobicContact CB-CD1 4.35Å; P274-L277 HydrophobicContact CB-CG 4.4Å; P274-L277 HydrophobicContact CG-CD1 4.09Å; P274-L277 PolarHBondContact O-N 3.41Å; P274-L277 VanDerWaalsContact O-N 3.11Å; G275-L277 PolarHBondContact O-N 2.81Å; L277-L280 HydrophobicContact CD2-CD2 4.29Å; L277-L280 PolarHBondContact O-N 3.16Å; L277-E281 PolarHBondContact O-N 2.81Å; L277-Y339 HydrophobicContact CD2-CD2 4.2Å; L277-Y339 HydrophobicContact CD2-CE2 4.09Å |
| 278 | F | 94 | Very high | 91.7 | Very high | 1 Ų | 1 | 19.1 Ų | 19.1 | 0% | 0.004 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -62.4 | -49.8 | 175 | 177.9 | -110.7 | 0 | 0 | 0 | 111.8 | V241 L264 K268 I273 P274 G275 P276 E281 I282 L317 | V241-F278 HydrophobicContact CG1-CD2 4.37Å; V241-F278 HydrophobicContact CG1-CE2 4.18Å; V241-F278 HydrophobicContact CG2-CD2 3.94Å; V241-F278 HydrophobicContact CG2-CE2 3.89Å; L264-F278 HydrophobicContact CB-CZ 3.95Å; L264-F278 HydrophobicContact CD2-CE2 4.19Å; L264-F278 HydrophobicContact CD2-CZ 4.02Å; L264-F278 HydrophobicContact CG-CZ 4.45Å; K268-F278 HydrophobicContact CB-CD2 3.95Å; K268-F278 HydrophobicContact CB-CE2 3.78Å; K268-F278 HydrophobicContact CB-CG 4.41Å; K268-F278 HydrophobicContact CB-CZ 4.07Å; K268-F278 HydrophobicContact CD-CD1 3.92Å; K268-F278 HydrophobicContact CD-CD2 4.47Å; K268-F278 HydrophobicContact CD-CE1 4.15Å; K268-F278 HydrophobicContact CD-CG 4.06Å; K268-F278 HydrophobicContact CG-CD1 4.46Å; K268-F278 HydrophobicContact CG-CD2 4.13Å; K268-F278 HydrophobicContact CG-CE2 4.4Å; K268-F278 HydrophobicContact CG-CG 4.15Å; I273-F278 HydrophobicContact CB-CB 4.28Å; I273-F278 HydrophobicContact CB-CD2 4.45Å; I273-F278 HydrophobicContact CD1-CD2 4.16Å; I273-F278 HydrophobicContact CG2-CB 3.69Å; I273-F278 HydrophobicContact CG2-CD2 4.37Å; P274-F278 WeakPolarHBondContact O-CB 3.32Å; P274-F278 PolarHBondContact O-N 3.31Å; G275-F278 WeakPolarHBondContact O-CB 3.44Å; G275-F278 PolarHBondContact O-N 2.86Å; P276-F278 VanDerWaalsContact C-N 3.34Å; F278-E281 PolarHBondContact O-N 3.46Å; F278-I282 HydrophobicContact CD1-CD1 4.24Å; F278-I282 HydrophobicContact CE1-CD1 3.82Å; F278-I282 HydrophobicContact CZ-CD1 3.98Å; F278-I282 WeakPolarHBondContact O-CG1 3.42Å; F278-I282 PolarHBondContact O-N 2.96Å; F278-L317 HydrophobicContact CE1-CD1 4.16Å |
| 279 | V | 95.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -66.1 | -39.4 | 177.4 | 176.8 | 0 | 0 | 0 | 0 | 111 | G275 E281 I282 W283 L314 F329 V333 A336 | G275-V279 PolarHBondContact O-N 3.43Å; G275-V279 VanDerWaalsContact O-N 3.14Å; V279-E281 VanDerWaalsContact C-N 3.33Å; V279-E281 PolarHBondContact O-N 2.95Å; V279-I282 WeakPolarHBondContact O-CB 3.35Å; V279-I282 PolarHBondContact O-N 2.82Å; V279-W283 PolarHBondContact O-N 3.23Å; V279-L314 HydrophobicContact CG1-CD2 4.38Å; V279-L314 HydrophobicContact CG2-CD2 4.35Å; V279-F329 HydrophobicContact CG2-CE2 4.11Å; V279-F329 HydrophobicContact CG2-CZ 4.21Å; V279-V333 HydrophobicContact CG1-CG2 4.34Å; V279-V333 HydrophobicContact CG2-CG2 4.37Å; V279-A336 HydrophobicContact CB-CB 3.71Å; V279-A336 HydrophobicContact CG1-CB 3.68Å |
| 280 | L | 95.7 | Very high | 92.3 | Very high | 16 Ų | 16 | 14.4 Ų | 14.4 | 8% | 0.084 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -57.6 | -44 | 174.5 | 175.2 | 65.8 | 0 | 0 | 0 | 112 | P276 L277 I282 W283 K284 A336 Y339 L340 L343 | P276-L280 VanDerWaalsContact O-CB 3.28Å; P276-L280 WeakPolarHBondContact O-CB 3.28Å; P276-L280 PolarHBondContact O-N 3.37Å; L277-L280 HydrophobicContact CD2-CD2 4.29Å; L277-L280 PolarHBondContact O-N 3.16Å; L280-I282 VanDerWaalsContact C-N 3.35Å; L280-W283 PolarHBondContact O-N 2.82Å; L280-K284 HydrophobicContact CD1-CG 4.39Å; L280-K284 HydrophobicContact CG-CD 4.39Å; L280-K284 WeakPolarHBondContact O-CG 3.17Å; L280-K284 PolarHBondContact O-N 3.02Å; L280-A336 HydrophobicContact CB-CB 4.39Å; L280-Y339 HydrophobicContact CD2-CD2 4.24Å; L280-Y339 HydrophobicContact CD2-CG 4.4Å; L280-L340 HydrophobicContact CD1-CB 3.94Å; L280-L340 HydrophobicContact CD1-CD1 4.32Å; L280-L343 HydrophobicContact CD1-CD1 4.3Å |
| 281 | E | 95.4 | Very high | 92.6 | Very high | 5 Ų | 5 | 15.9 Ų | 15.9 | 2% | 0.023 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -65.8 | -37.3 | 179.7 | -162.4 | 68 | -111.8 | 0 | 0 | 112.4 | F238 V241 H242 L277 F278 V279 W283 K284 A285 | F238-E281 HydrophobicContact CB-CG 4.23Å; F238-E281 PolarHBondContact N-OE2 2.91Å; F238-E281 VanDerWaalsContact N-OE2 3.11Å; F238-E281 WeakPolarHBondContact O-CG 3.43Å; V241-E281 HydrophobicContact CB-CB 4.25Å; V241-E281 HydrophobicContact CB-CG 3.87Å; V241-E281 HydrophobicContact CG1-CB 4.02Å; V241-E281 HydrophobicContact CG1-CG 4.06Å; H242-E281 HydrophobicContact CB-CG 4.05Å; H242-E281 IonicContact CG-OE1 3.88Å; H242-E281 IonicContact ND1-OE1 2.96Å; H242-E281 PolarHBondContact ND1-OE1 3.4Å; L277-E281 PolarHBondContact O-N 2.81Å; F278-E281 PolarHBondContact O-N 3.46Å; V279-E281 VanDerWaalsContact C-N 3.33Å; V279-E281 PolarHBondContact O-N 2.95Å; E281-W283 VanDerWaalsContact C-N 3.34Å; E281-W283 PolarHBondContact O-N 3.04Å; E281-K284 PolarHBondContact O-N 3.09Å; E281-K284 WeakPolarHBondContact OE1-CE 3.48Å; E281-K284 IonicContact OE1-NZ 3.24Å; E281-K284 PolarHBondContact OE1-NZ 3.36Å; E281-K284 VanDerWaalsContact OE1-NZ 3.15Å; E281-K284 VanDerWaalsContact OE2-CE 3.27Å; E281-K284 WeakPolarHBondContact OE2-CE 3.15Å; E281-K284 IonicContact OE2-NZ 3.88Å; E281-K284 PolarHBondContact OE2-NZ 3.36Å; E281-A285 PolarHBondContact O-N 3.05Å; E281-A285 VanDerWaalsContact O-N 3.07Å |
| 282 | I | 97.4 | Very high | 92.7 | Very high | 1 Ų | 1 | 17.8 Ų | 17.8 | 1% | 0.005 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -59 | -47.5 | 171.9 | -65.1 | 170.4 | 0 | 0 | 0 | 110.2 | V241 I245 L264 F278 V279 L280 A285 C286 I310 L314 | V241-I282 HydrophobicContact CG1-CG1 3.8Å; I245-I282 HydrophobicContact CD1-CG1 4.26Å; I245-I282 HydrophobicContact CD1-CG2 4.12Å; I245-I282 HydrophobicContact CG1-CG1 4.19Å; I245-I282 HydrophobicContact CG1-CG2 4.34Å; L264-I282 HydrophobicContact CD1-CD1 4.31Å; L264-I282 HydrophobicContact CD2-CD1 4.43Å; F278-I282 HydrophobicContact CD1-CD1 4.24Å; F278-I282 HydrophobicContact CE1-CD1 3.82Å; F278-I282 HydrophobicContact CZ-CD1 3.98Å; F278-I282 WeakPolarHBondContact O-CG1 3.42Å; F278-I282 PolarHBondContact O-N 2.96Å; V279-I282 WeakPolarHBondContact O-CB 3.35Å; V279-I282 PolarHBondContact O-N 2.82Å; L280-I282 VanDerWaalsContact C-N 3.35Å; I282-A285 PolarHBondContact O-N 3.26Å; I282-C286 PolarHBondContact O-N 3.27Å; I282-C286 PolarHBondContact O-SG 3.47Å; I282-I310 HydrophobicContact CG2-CD1 4.19Å; I282-I310 HydrophobicContact CG2-CG2 3.79Å; I282-L314 HydrophobicContact CD1-CD2 4.28Å |
| 283 | W | 96.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -65.4 | -42.1 | 179 | -67.4 | 138.6 | 0 | 0 | 0 | 113.1 | V279 L280 E281 A285 C286 F287 I310 P311 L314 F337 L340 L362 | V279-W283 PolarHBondContact O-N 3.23Å; L280-W283 PolarHBondContact O-N 2.82Å; E281-W283 VanDerWaalsContact C-N 3.34Å; E281-W283 PolarHBondContact O-N 3.04Å; W283-A285 VanDerWaalsContact C-N 3.26Å; W283-A285 PolarHBondContact O-N 2.85Å; W283-C286 HydrophobicContact CE3-CB 4.42Å; W283-C286 PolarHBondContact O-N 2.95Å; W283-C286 VanDerWaalsContact O-N 3.15Å; W283-F287 WeakPolarHBondContact O-CD2 3.49Å; W283-F287 PolarHBondContact O-N 3.34Å; W283-I310 HydrophobicContact CE3-CG2 4.08Å; W283-I310 HydrophobicContact CH2-CG2 3.68Å; W283-I310 HydrophobicContact CZ3-CB 4.19Å; W283-I310 HydrophobicContact CZ3-CG2 3.34Å; W283-P311 HydrophobicContact CH2-CG 4.47Å; W283-L314 HydrophobicContact CH2-CD1 3.53Å; W283-L314 HydrophobicContact CZ2-CD1 3.14Å; W283-F337 AromaticContact CE2-CZ 3.76Å; W283-F337 HydrophobicContact CZ2-CE1 4.48Å; W283-F337 HydrophobicContact CZ2-CE2 4.41Å; W283-F337 AromaticContact CZ2-CZ 3.76Å; W283-F337 HydrophobicContact CZ2-CZ 3.76Å; W283-F337 AromaticContact NE1-CE1 3.82Å; W283-F337 AromaticContact NE1-CE2 3.97Å; W283-F337 AromaticContact NE1-CZ 3.58Å; W283-L340 HydrophobicContact CB-CD1 4.43Å; W283-L340 HydrophobicContact CB-CD2 3.94Å; W283-L340 HydrophobicContact CG-CD2 4.27Å; W283-L362 HydrophobicContact CD2-CD2 4.07Å; W283-L362 HydrophobicContact CE3-CD2 3.72Å; W283-L362 HydrophobicContact CH2-CD1 3.65Å; W283-L362 HydrophobicContact CH2-CD2 3.88Å; W283-L362 HydrophobicContact CH2-CG 4.08Å; W283-L362 HydrophobicContact CZ2-CD1 4.45Å; W283-L362 HydrophobicContact CZ2-CD2 4.16Å; W283-L362 HydrophobicContact CZ2-CG 4.45Å; W283-L362 HydrophobicContact CZ3-CD1 3.76Å; W283-L362 HydrophobicContact CZ3-CD2 3.64Å; W283-L362 HydrophobicContact CZ3-CG 4.22Å |
| 284 | K | 95.2 | Very high | 92.4 | Very high | 35 Ų | 35 | 16 Ų | 16 | 15% | 0.152 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -55.4 | -44.2 | 174.9 | -75.4 | -175.6 | -63 | 173.5 | 0 | 111.5 | L280 E281 T288 L343 L346 | L280-K284 HydrophobicContact CD1-CG 4.39Å; L280-K284 HydrophobicContact CG-CD 4.39Å; L280-K284 WeakPolarHBondContact O-CG 3.17Å; L280-K284 PolarHBondContact O-N 3.02Å; E281-K284 PolarHBondContact O-N 3.09Å; E281-K284 WeakPolarHBondContact OE1-CE 3.48Å; E281-K284 IonicContact OE1-NZ 3.24Å; E281-K284 PolarHBondContact OE1-NZ 3.36Å; E281-K284 VanDerWaalsContact OE1-NZ 3.15Å; E281-K284 VanDerWaalsContact OE2-CE 3.27Å; E281-K284 WeakPolarHBondContact OE2-CE 3.15Å; E281-K284 IonicContact OE2-NZ 3.88Å; E281-K284 PolarHBondContact OE2-NZ 3.36Å; K284-T288 VanDerWaalsContact O-CB 3.3Å; K284-T288 WeakPolarHBondContact O-CB 3.34Å; K284-T288 PolarHBondContact O-N 2.89Å; K284-T288 PolarHBondContact O-OG1 3.3Å; K284-L343 HydrophobicContact CD-CD1 3.72Å; K284-L343 HydrophobicContact CG-CD1 3.76Å; K284-L346 HydrophobicContact CG-CD2 4.36Å |
| 285 | A | 95.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -65.2 | -42.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | H242 I245 M246 E281 I282 W283 T288 G289 | H242-A285 HydrophobicContact CB-CB 4.48Å; H242-A285 VanDerWaalsContact CE1-CA 3.44Å; H242-A285 WeakPolarHBondContact CE1-CA 3.08Å; H242-A285 PolarHBondContact CE1-N 3.36Å; I245-A285 HydrophobicContact CB-CB 3.67Å; I245-A285 HydrophobicContact CG2-CB 3.51Å; M246-A285 HydrophobicContact CG-CB 4.43Å; E281-A285 PolarHBondContact O-N 3.05Å; E281-A285 VanDerWaalsContact O-N 3.07Å; I282-A285 PolarHBondContact O-N 3.26Å; W283-A285 VanDerWaalsContact C-N 3.26Å; W283-A285 PolarHBondContact O-N 2.85Å; A285-T288 PolarHBondContact O-N 3.09Å; A285-G289 PolarHBondContact O-N 3.17Å |
| 286 | C | 96.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60.6 | -48.6 | 177.5 | -62.4 | 0 | 0 | 0 | 0 | 112.2 | I282 W283 T288 G289 L290 T306 | I282-C286 PolarHBondContact O-N 3.27Å; I282-C286 PolarHBondContact O-SG 3.47Å; W283-C286 HydrophobicContact CE3-CB 4.42Å; W283-C286 PolarHBondContact O-N 2.95Å; W283-C286 VanDerWaalsContact O-N 3.15Å; C286-T288 PolarHBondContact O-N 2.97Å; C286-G289 PolarHBondContact O-N 3.23Å; C286-L290 WeakPolarHBondContact O-CG 3.22Å; C286-L290 PolarHBondContact O-N 3.33Å; C286-T306 HydrophobicContact CB-CG2 3.69Å |
| 287 | F | 95.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -67.4 | -35.8 | 178.8 | -83 | -100.3 | 0 | 0 | 0 | 112.3 | W283 L290 I291 L340 L346 L347 A350 C358 L362 | W283-F287 WeakPolarHBondContact O-CD2 3.49Å; W283-F287 PolarHBondContact O-N 3.34Å; F287-L290 PolarHBondContact O-N 3.35Å; F287-I291 WeakPolarHBondContact O-CD1 3.45Å; F287-I291 VanDerWaalsContact O-CG1 3.26Å; F287-I291 WeakPolarHBondContact O-CG1 3.44Å; F287-I291 PolarHBondContact O-N 3.45Å; F287-I291 VanDerWaalsContact O-N 3.12Å; F287-L340 HydrophobicContact CE2-CD2 4.15Å; F287-L346 HydrophobicContact CB-CD1 4.26Å; F287-L346 HydrophobicContact CB-CD2 4Å; F287-L346 HydrophobicContact CB-CG 4Å; F287-L347 HydrophobicContact CD1-CD2 3.93Å; F287-L347 HydrophobicContact CE1-CD2 3.57Å; F287-L347 HydrophobicContact CZ-CD2 3.93Å; F287-A350 HydrophobicContact CD1-CB 3.45Å; F287-A350 VanDerWaalsContact CD1-CB 3.45Å; F287-A350 HydrophobicContact CE1-CB 3.95Å; F287-C358 HydrophobicContact CE1-CB 3.75Å; F287-C358 HydrophobicContact CZ-CB 4.26Å; F287-L362 HydrophobicContact CE2-CD2 3.79Å; F287-L362 HydrophobicContact CZ-CD2 4.24Å |
| 288 | T | 93.8 | Very high | 90.5 | Very high | 20 Ų | 20 | 22.2 Ų | 22.2 | 12% | 0.123 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63.1 | -45.1 | 172.9 | -56.3 | 0 | 0 | 0 | 0 | 110.7 | K284 A285 C286 L290 I291 E292 W722 | K284-T288 VanDerWaalsContact O-CB 3.3Å; K284-T288 WeakPolarHBondContact O-CB 3.34Å; K284-T288 PolarHBondContact O-N 2.89Å; K284-T288 PolarHBondContact O-OG1 3.3Å; A285-T288 PolarHBondContact O-N 3.09Å; C286-T288 PolarHBondContact O-N 2.97Å; T288-L290 PolarHBondContact O-N 3.46Å; T288-I291 PolarHBondContact O-N 3.42Å; T288-E292 HydrophobicContact CG2-CG 4.34Å; T288-E292 WeakPolarHBondContact O-CB 3.47Å; T288-E292 WeakPolarHBondContact O-CG 3.48Å; T288-E292 PolarHBondContact O-N 2.98Å; T288-W722 HydrophobicContact CG2-CE3 4.14Å; T288-W722 HydrophobicContact CG2-CH2 4.18Å; T288-W722 HydrophobicContact CG2-CZ2 4.49Å; T288-W722 HydrophobicContact CG2-CZ3 3.88Å |
| 289 | G | 92.4 | Very high | 90.2 | Very high | 1 Ų | 1 | 22.4 Ų | 22.4 | 1% | 0.01 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -59.6 | -41.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | A285 C286 S293 | A285-G289 PolarHBondContact O-N 3.17Å; C286-G289 PolarHBondContact O-N 3.23Å; G289-S293 VanDerWaalsContact O-CB 3.24Å; G289-S293 WeakPolarHBondContact O-CB 3.35Å; G289-S293 PolarHBondContact O-N 3.26Å; G289-S293 PolarHBondContact O-OG 3.49Å |
| 290 | L | 91.4 | Very high | 89.9 | Confident | 2 Ų | 2 | 22.6 Ų | 22.6 | 1% | 0.01 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -58.9 | -48.5 | 173.5 | -69.7 | 174.1 | 0 | 0 | 0 | 111.8 | C286 F287 T288 S293 W302 T306 F307 | C286-L290 WeakPolarHBondContact O-CG 3.22Å; C286-L290 PolarHBondContact O-N 3.33Å; F287-L290 PolarHBondContact O-N 3.35Å; T288-L290 PolarHBondContact O-N 3.46Å; L290-S293 PolarHBondContact O-OG 3.33Å; L290-W302 HydrophobicContact CD2-CB 4.23Å; L290-T306 HydrophobicContact CD1-CG2 3.98Å; L290-F307 HydrophobicContact CD1-CE2 3.85Å; L290-F307 HydrophobicContact CD1-CZ 4.35Å; L290-F307 HydrophobicContact CD2-CE2 4.44Å |
| 291 | I | 91.3 | Very high | 89.7 | Confident | 43 Ų | 43 | 22.9 Ų | 22.9 | 22% | 0.221 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -65.5 | -41.2 | -176.4 | -68 | 162.3 | 0 | 0 | 0 | 111.5 | F287 T288 L346 K349 A350 | F287-I291 WeakPolarHBondContact O-CD1 3.45Å; F287-I291 VanDerWaalsContact O-CG1 3.26Å; F287-I291 WeakPolarHBondContact O-CG1 3.44Å; F287-I291 PolarHBondContact O-N 3.45Å; F287-I291 VanDerWaalsContact O-N 3.12Å; T288-I291 PolarHBondContact O-N 3.42Å; I291-L346 HydrophobicContact CD1-CD1 3.63Å; I291-L346 HydrophobicContact CD1-CG 4.5Å; I291-K349 HydrophobicContact CD1-CB 3.68Å; I291-K349 HydrophobicContact CG1-CB 4.12Å; I291-A350 HydrophobicContact CD1-CB 4.25Å; I291-A350 HydrophobicContact CG1-CB 4.12Å |
| 292 | E | 87.5 | Confident | 89.6 | Confident | 62 Ų | 62 | 22.7 Ų | 22.7 | 29% | 0.29 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -93.5 | -6.9 | -172.3 | -62.8 | -161.8 | 154.2 | 0 | 0 | 114.8 | T288 Y696 W722 D724 | T288-E292 HydrophobicContact CG2-CG 4.34Å; T288-E292 WeakPolarHBondContact O-CB 3.47Å; T288-E292 WeakPolarHBondContact O-CG 3.48Å; T288-E292 PolarHBondContact O-N 2.98Å; E292-Y696 PolarHBondContact O-OH 3.11Å; E292-W722 WeakPolarHBondContact OE1-CH2 3.47Å; E292-W722 WeakPolarHBondContact OE1-CZ2 3.32Å; E292-W722 WeakPolarHBondContact OE2-CH2 3.48Å; E292-W722 WeakPolarHBondContact OE2-CZ3 3.46Å; E292-D724 WeakPolarHBondContact OE2-CB 3.5Å |
| 293 | S | 84.7 | Confident | 89.5 | Confident | 4 Ų | 4 | 22.7 Ų | 22.7 | 3% | 0.028 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -64.2 | 135.4 | 176.4 | 64 | 0 | 0 | 0 | 0 | 111.6 | G289 L290 E299 R353 | G289-S293 VanDerWaalsContact O-CB 3.24Å; G289-S293 WeakPolarHBondContact O-CB 3.35Å; G289-S293 PolarHBondContact O-N 3.26Å; G289-S293 PolarHBondContact O-OG 3.49Å; L290-S293 PolarHBondContact O-OG 3.33Å; S293-E299 WeakPolarHBondContact OG-CA 3.49Å; S293-R353 PolarHBondContact O-NH2 3.01Å; S293-R353 VanDerWaalsContact O-NH2 3.09Å |
| 294 | P | 78.7 | Confident | 89.4 | Confident | 29 Ų | 29 | 22.7 Ų | 22.7 | 19% | 0.188 | 12% | 0.119 | C | C | . | . | P | Polyproline II helix | trans | -67.9 | 152.1 | 175.9 | 29.2 | -31.6 | 0 | 0 | 0 | 110.3 | E298 E299 Y696 | P294-E298 HydrophobicContact CG-CB 3.63Å; P294-E298 HydrophobicContact CG-CG 3.91Å; P294-E299 WeakPolarHBondContact O-CB 3.41Å; P294-E299 PolarHBondContact O-N 3.22Å; P294-Y696 HydrophobicContact CB-CD2 3.54Å; P294-Y696 HydrophobicContact CB-CE2 3.31Å; P294-Y696 VanDerWaalsContact CD-CZ 3.48Å; P294-Y696 HydrophobicContact CG-CD1 4.32Å; P294-Y696 HydrophobicContact CG-CD2 3.34Å; P294-Y696 HydrophobicContact CG-CE1 4.21Å; P294-Y696 HydrophobicContact CG-CE2 3.27Å; P294-Y696 HydrophobicContact CG-CG 3.9Å |
| 295 | E | 77.5 | Confident | 89.4 | Confident | 154 Ų | 154 | 21 Ų | 21 | 72% | 0.72 | 11% | 0.112 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | 140.1 | 173.6 | -62.4 | -174.3 | 179.3 | 0 | 0 | 111.5 | ||
| 296 | G | 79.6 | Confident | 89.4 | Confident | 21 Ų | 21 | 21 Ų | 21 | 22% | 0.216 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 115.8 | -136.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 297 | T | 81.7 | Confident | 89.4 | Confident | 38 Ų | 38 | 21 Ų | 21 | 23% | 0.233 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -70.8 | -33.3 | -172.6 | -49.9 | 0 | 0 | 0 | 0 | 113 | L300 K301 T505 | T297-L300 WeakPolarHBondContact O-CB 3.47Å; T297-L300 PolarHBondContact O-N 3.47Å; T297-K301 WeakPolarHBondContact O-CG 3.47Å; T297-K301 PolarHBondContact O-N 3.33Å; T297-T505 HydrophobicContact CG2-CG2 3.65Å |
| 298 | E | 84.3 | Confident | 89.4 | Confident | 35 Ų | 35 | 21.3 Ų | 21.3 | 16% | 0.164 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -68.8 | -37.5 | 178.8 | -65.1 | -56 | 128.5 | 0 | 0 | 112.7 | P294 L300 K301 W302 | P294-E298 HydrophobicContact CG-CB 3.63Å; P294-E298 HydrophobicContact CG-CG 3.91Å; E298-L300 VanDerWaalsContact C-N 3.28Å; E298-L300 PolarHBondContact O-N 2.9Å; E298-K301 WeakPolarHBondContact O-CB 3.32Å; E298-K301 PolarHBondContact O-N 2.94Å; E298-K301 WeakPolarHBondContact OE1-CD 3.18Å; E298-K301 WeakPolarHBondContact OE1-CE 3.4Å; E298-K301 IonicContact OE1-NZ 3.48Å; E298-K301 PolarHBondContact OE1-NZ 2.97Å; E298-K301 IonicContact OE2-NZ 3.62Å; E298-W302 PolarHBondContact O-N 3.23Å |
| 299 | E | 87.7 | Confident | 89.5 | Confident | 4 Ų | 4 | 20.5 Ų | 20.5 | 2% | 0.019 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -58.4 | -41.5 | 172 | -176.3 | 179 | -171.6 | 0 | 0 | 111.6 | S293 P294 W302 T303 R353 P404 | S293-E299 WeakPolarHBondContact OG-CA 3.49Å; P294-E299 WeakPolarHBondContact O-CB 3.41Å; P294-E299 PolarHBondContact O-N 3.22Å; E299-W302 PolarHBondContact O-N 3.36Å; E299-T303 WeakPolarHBondContact O-CB 3.29Å; E299-T303 PolarHBondContact O-N 2.57Å; E299-T303 PolarHBondContact O-OG1 3.15Å; E299-R353 VanDerWaalsContact CD-NH1 3.3Å; E299-R353 IonicContact OE1-CZ 3.76Å; E299-R353 VanDerWaalsContact OE1-CZ 3.23Å; E299-R353 IonicContact OE1-NH1 3.91Å; E299-R353 PolarHBondContact OE1-NH1 3.02Å; E299-R353 IonicContact OE1-NH2 3.24Å; E299-R353 PolarHBondContact OE1-NH2 2.99Å; E299-R353 IonicContact OE2-CZ 3.96Å; E299-R353 IonicContact OE2-NH1 3.99Å; E299-R353 IonicContact OE2-NH2 2.72Å; E299-R353 PolarHBondContact OE2-NH2 3.29Å; E299-P404 HydrophobicContact CB-CG 4.28Å; E299-P404 HydrophobicContact CG-CG 3.51Å; E299-P404 VanDerWaalsContact OE1-CG 3.25Å; E299-P404 WeakPolarHBondContact OE1-CG 3.45Å; E299-P404 WeakPolarHBondContact OE2-CG 3.48Å |
| 300 | L | 89.7 | Confident | 89.7 | Confident | 4 Ų | 4 | 20.4 Ų | 20.4 | 2% | 0.021 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -65.3 | -41.9 | 174.5 | -73.8 | 169.3 | 0 | 0 | 0 | 112.2 | T297 E298 T303 A304 P404 D448 L449 A452 | T297-L300 WeakPolarHBondContact O-CB 3.47Å; T297-L300 PolarHBondContact O-N 3.47Å; E298-L300 VanDerWaalsContact C-N 3.28Å; E298-L300 PolarHBondContact O-N 2.9Å; L300-T303 PolarHBondContact O-N 3.15Å; L300-A304 WeakPolarHBondContact O-CB 2.96Å; L300-A304 PolarHBondContact O-N 2.86Å; L300-P404 HydrophobicContact CD2-CB 3.41Å; L300-P404 VanDerWaalsContact CD2-CB 3.41Å; L300-P404 HydrophobicContact CD2-CG 4.47Å; L300-P404 HydrophobicContact CG-CB 4Å; L300-D448 HydrophobicContact CD1-CB 3.53Å; L300-L449 HydrophobicContact CD2-CB 4.4Å; L300-L449 HydrophobicContact CD2-CD1 3.6Å; L300-A452 HydrophobicContact CB-CB 4.17Å |
| 301 | K | 91.5 | Very high | 89.9 | Confident | 22 Ų | 22 | 20.4 Ų | 20.4 | 10% | 0.096 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -59.7 | -47 | 175.9 | -73.3 | 177.3 | -178.2 | 173.8 | 0 | 111.3 | L253 T297 E298 A304 F305 T505 Y506 | L253-K301 HydrophobicContact CD2-CB 3.76Å; L253-K301 HydrophobicContact CD2-CG 3.76Å; T297-K301 WeakPolarHBondContact O-CG 3.47Å; T297-K301 PolarHBondContact O-N 3.33Å; E298-K301 WeakPolarHBondContact O-CB 3.32Å; E298-K301 PolarHBondContact O-N 2.94Å; E298-K301 WeakPolarHBondContact OE1-CD 3.18Å; E298-K301 WeakPolarHBondContact OE1-CE 3.4Å; E298-K301 IonicContact OE1-NZ 3.48Å; E298-K301 PolarHBondContact OE1-NZ 2.97Å; E298-K301 IonicContact OE2-NZ 3.62Å; K301-A304 PolarHBondContact O-N 3.13Å; K301-F305 VanDerWaalsContact O-CB 3.31Å; K301-F305 WeakPolarHBondContact O-CB 3.5Å; K301-F305 PolarHBondContact O-N 3.05Å; K301-T505 PolarHBondContact NZ-O 3.21Å; K301-Y506 HydrophobicContact CD-CE1 4.46Å; K301-Y506 HydrophobicContact CG-CE1 4.31Å |
| 302 | W | 93.5 | Very high | 90 | Very high | 1 Ų | 1 | 21.5 Ų | 21.5 | 0% | 0.004 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -66.2 | -37.8 | 178.2 | -89.6 | 105 | 0 | 0 | 0 | 113.3 | M246 T250 L290 E298 E299 F305 T306 | M246-W302 HydrophobicContact CE-CH2 4.44Å; M246-W302 HydrophobicContact CE-CZ2 4.16Å; M246-W302 HydrophobicContact SD-CH2 3.66Å; M246-W302 HydrophobicContact SD-CZ2 3.99Å; T250-W302 WeakPolarHBondContact OG1-CZ2 3.44Å; L290-W302 HydrophobicContact CD2-CB 4.23Å; E298-W302 PolarHBondContact O-N 3.23Å; E299-W302 PolarHBondContact O-N 3.36Å; W302-F305 HydrophobicContact CE3-CD1 4.08Å; W302-F305 AromaticContact CZ3-CD1 3.77Å; W302-F305 HydrophobicContact CZ3-CD1 3.77Å; W302-F305 HydrophobicContact CZ3-CE1 4.09Å; W302-F305 PolarHBondContact O-N 3.34Å; W302-T306 WeakPolarHBondContact O-CB 3.39Å; W302-T306 PolarHBondContact O-N 2.94Å; W302-T306 PolarHBondContact O-OG1 3.08Å |
| 303 | T | 93.6 | Very high | 90.4 | Very high | 1 Ų | 1 | 18.6 Ų | 18.6 | 1% | 0.006 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -63.3 | -46.8 | 173.4 | -51.4 | 0 | 0 | 0 | 0 | 110.5 | E299 L300 F305 T306 F307 P406 I409 | E299-T303 WeakPolarHBondContact O-CB 3.29Å; E299-T303 PolarHBondContact O-N 2.57Å; E299-T303 PolarHBondContact O-OG1 3.15Å; L300-T303 PolarHBondContact O-N 3.15Å; T303-F305 PolarHBondContact O-N 3.36Å; T303-T306 PolarHBondContact O-N 2.9Å; T303-F307 HydrophobicContact CG2-CD2 3.96Å; T303-F307 HydrophobicContact CG2-CE2 4.35Å; T303-F307 VanDerWaalsContact O-CD2 3.32Å; T303-F307 WeakPolarHBondContact O-CD2 3.3Å; T303-F307 PolarHBondContact O-N 2.85Å; T303-F307 VanDerWaalsContact O-N 3.07Å; T303-P406 HydrophobicContact CG2-CB 4.38Å; T303-P406 HydrophobicContact CG2-CG 4.12Å; T303-I409 HydrophobicContact CG2-CB 4.2Å; T303-I409 HydrophobicContact CG2-CG2 3.77Å |
| 304 | A | 94.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -64.8 | -40.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L300 K301 L308 K309 I409 A452 A456 | L300-A304 WeakPolarHBondContact O-CB 2.96Å; L300-A304 PolarHBondContact O-N 2.86Å; K301-A304 PolarHBondContact O-N 3.13Å; A304-L308 HydrophobicContact CB-CD1 4.47Å; A304-L308 WeakPolarHBondContact O-CA 3.35Å; A304-L308 VanDerWaalsContact O-CB 3.25Å; A304-L308 WeakPolarHBondContact O-CB 3.49Å; A304-L308 PolarHBondContact O-N 3.03Å; A304-K309 PolarHBondContact O-N 3.18Å; A304-I409 HydrophobicContact CB-CD1 3.93Å; A304-I409 HydrophobicContact CB-CG1 3.79Å; A304-A452 HydrophobicContact CB-CB 4.01Å; A304-A452 WeakPolarHBondContact CB-O 3.43Å; A304-A456 HydrophobicContact CB-CB 3.74Å |
| 305 | F | 96 | Very high | 91.6 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 10% | 0.097 | C | C | . | . | I | π-helix | trans | -59.3 | -49.5 | 176.9 | -174.1 | -99.9 | 0 | 0 | 0 | 111.6 | I245 E248 L253 K301 W302 T303 K309 I310 | I245-F305 HydrophobicContact CG2-CE1 3.86Å; I245-F305 HydrophobicContact CG2-CZ 4.34Å; E248-F305 HydrophobicContact CB-CE2 4.3Å; E248-F305 HydrophobicContact CB-CZ 4.15Å; L253-F305 HydrophobicContact CD1-CB 3.82Å; L253-F305 HydrophobicContact CD1-CD2 3.81Å; L253-F305 HydrophobicContact CD1-CG 4.32Å; K301-F305 VanDerWaalsContact O-CB 3.31Å; K301-F305 WeakPolarHBondContact O-CB 3.5Å; K301-F305 PolarHBondContact O-N 3.05Å; W302-F305 HydrophobicContact CE3-CD1 4.08Å; W302-F305 AromaticContact CZ3-CD1 3.77Å; W302-F305 HydrophobicContact CZ3-CD1 3.77Å; W302-F305 HydrophobicContact CZ3-CE1 4.09Å; W302-F305 PolarHBondContact O-N 3.34Å; T303-F305 PolarHBondContact O-N 3.36Å; F305-K309 HydrophobicContact CD2-CB 4.25Å; F305-K309 HydrophobicContact CD2-CD 3.83Å; F305-K309 HydrophobicContact CD2-CG 4.42Å; F305-K309 HydrophobicContact CE2-CD 3.98Å; F305-K309 WeakPolarHBondContact O-CB 3.49Å; F305-K309 PolarHBondContact O-N 3.49Å; F305-I310 HydrophobicContact CD1-CD1 4.4Å; F305-I310 HydrophobicContact CD1-CG1 3.9Å; F305-I310 HydrophobicContact CE1-CD1 3.61Å; F305-I310 HydrophobicContact CE1-CG1 3.6Å; F305-I310 HydrophobicContact CE2-CD1 4.48Å; F305-I310 HydrophobicContact CZ-CD1 3.66Å; F305-I310 HydrophobicContact CZ-CG1 4.04Å; F305-I310 WeakPolarHBondContact O-CG1 3.3Å; F305-I310 PolarHBondContact O-N 3.4Å |
| 306 | T | 96.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 8% | 0.081 | C | C | . | . | I | π-helix | trans | -69.1 | -44.9 | -175.4 | -58.4 | 0 | 0 | 0 | 0 | 112.8 | C286 L290 W302 T303 P311 | C286-T306 HydrophobicContact CB-CG2 3.69Å; L290-T306 HydrophobicContact CD1-CG2 3.98Å; W302-T306 WeakPolarHBondContact O-CB 3.39Å; W302-T306 PolarHBondContact O-N 2.94Å; W302-T306 PolarHBondContact O-OG1 3.08Å; T303-T306 PolarHBondContact O-N 2.9Å; T306-P311 VanDerWaalsContact O-CD 3.3Å; T306-P311 WeakPolarHBondContact O-CD 3.1Å |
| 307 | F | 95.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 7% | 0.072 | C | C | . | . | I | π-helix | trans | -97.4 | -19.3 | -170.5 | -68 | -82.5 | 0 | 0 | 0 | 114.2 | L290 T303 C358 M361 L362 P406 I409 L410 | L290-F307 HydrophobicContact CD1-CE2 3.85Å; L290-F307 HydrophobicContact CD1-CZ 4.35Å; L290-F307 HydrophobicContact CD2-CE2 4.44Å; T303-F307 HydrophobicContact CG2-CD2 3.96Å; T303-F307 HydrophobicContact CG2-CE2 4.35Å; T303-F307 VanDerWaalsContact O-CD2 3.32Å; T303-F307 WeakPolarHBondContact O-CD2 3.3Å; T303-F307 PolarHBondContact O-N 2.85Å; T303-F307 VanDerWaalsContact O-N 3.07Å; F307-C358 WeakPolarHBondContact CE1-O 3.32Å; F307-C358 HydrophobicContact CZ-CB 4.1Å; F307-M361 HydrophobicContact CD1-CB 4.45Å; F307-M361 HydrophobicContact CE1-CB 4.04Å; F307-L362 HydrophobicContact CD1-CB 4.28Å; F307-L362 HydrophobicContact CD1-CD1 4.21Å; F307-L362 HydrophobicContact CE1-CB 3.88Å; F307-L362 HydrophobicContact CE1-CD1 4.48Å; F307-P406 HydrophobicContact CD1-CB 4.22Å; F307-P406 HydrophobicContact CD2-CB 3.89Å; F307-P406 HydrophobicContact CD2-CG 3.99Å; F307-P406 HydrophobicContact CE1-CB 4.04Å; F307-P406 HydrophobicContact CE1-CG 4.3Å; F307-P406 HydrophobicContact CE2-CB 3.74Å; F307-P406 HydrophobicContact CE2-CG 3.4Å; F307-P406 VanDerWaalsContact CE2-CG 3.4Å; F307-P406 HydrophobicContact CG-CB 4.15Å; F307-P406 HydrophobicContact CZ-CB 3.82Å; F307-P406 HydrophobicContact CZ-CG 3.58Å; F307-I409 HydrophobicContact CB-CG2 4.31Å; F307-L410 HydrophobicContact CB-CD2 4.12Å |
| 308 | L | 94.8 | Very high | 93 | Very high | 6 Ų | 6 | 17.8 Ų | 17.8 | 3% | 0.031 | 8% | 0.079 | C | C | . | . | I | π-helix | trans | -111.9 | -50.8 | 177.7 | -60.3 | 171.8 | 0 | 0 | 0 | 112.2 | A304 Q312 I409 L410 E413 A453 A456 T457 | A304-L308 HydrophobicContact CB-CD1 4.47Å; A304-L308 WeakPolarHBondContact O-CA 3.35Å; A304-L308 VanDerWaalsContact O-CB 3.25Å; A304-L308 WeakPolarHBondContact O-CB 3.49Å; A304-L308 PolarHBondContact O-N 3.03Å; L308-Q312 VanDerWaalsContact O-CG 3.27Å; L308-Q312 WeakPolarHBondContact O-CG 3.46Å; L308-I409 HydrophobicContact CD1-CG1 3.96Å; L308-L410 HydrophobicContact CD2-CD2 3.62Å; L308-L410 HydrophobicContact CG-CD2 4.36Å; L308-E413 HydrophobicContact CD1-CB 4.49Å; L308-E413 HydrophobicContact CD2-CB 4.22Å; L308-A453 HydrophobicContact CD1-CB 3.94Å; L308-A456 HydrophobicContact CB-CB 4.02Å; L308-A456 HydrophobicContact CD1-CB 4.39Å; L308-T457 HydrophobicContact CB-CG2 4.26Å; L308-T457 HydrophobicContact CD1-CG2 4.19Å |
| 309 | K | 95.7 | Very high | 93 | Very high | 3 Ų | 3 | 24 Ų | 24 | 1% | 0.013 | 11% | 0.105 | C | C | . | . | I | π-helix | trans | -75.8 | -49.7 | -171.6 | -167.7 | 168.1 | -177.5 | 171.5 | 0 | 112.7 | N252 L253 G255 A304 F305 Q312 V313 A456 | N252-K309 PolarHBondContact O-NZ 3.06Å; L253-K309 HydrophobicContact CD1-CD 4.19Å; L253-K309 PolarHBondContact O-NZ 3.19Å; G255-K309 WeakPolarHBondContact O-CE 3.49Å; G255-K309 PolarHBondContact O-NZ 3.03Å; A304-K309 PolarHBondContact O-N 3.18Å; F305-K309 HydrophobicContact CD2-CB 4.25Å; F305-K309 HydrophobicContact CD2-CD 3.83Å; F305-K309 HydrophobicContact CD2-CG 4.42Å; F305-K309 HydrophobicContact CE2-CD 3.98Å; F305-K309 WeakPolarHBondContact O-CB 3.49Å; F305-K309 PolarHBondContact O-N 3.49Å; K309-Q312 WeakPolarHBondContact O-CB 3.22Å; K309-Q312 PolarHBondContact O-N 2.84Å; K309-Q312 VanDerWaalsContact O-N 3.16Å; K309-V313 WeakPolarHBondContact O-CG2 3.34Å; K309-V313 PolarHBondContact O-N 3.34Å; K309-A456 HydrophobicContact CB-CB 4.2Å |
| 310 | I | 97.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -64.2 | -41.5 | -175.4 | -67.9 | -72.1 | 0 | 0 | 0 | 113.5 | I245 I282 W283 F305 Q312 V313 L314 | I245-I310 HydrophobicContact CD1-CD1 4.03Å; I282-I310 HydrophobicContact CG2-CD1 4.19Å; I282-I310 HydrophobicContact CG2-CG2 3.79Å; W283-I310 HydrophobicContact CE3-CG2 4.08Å; W283-I310 HydrophobicContact CH2-CG2 3.68Å; W283-I310 HydrophobicContact CZ3-CB 4.19Å; W283-I310 HydrophobicContact CZ3-CG2 3.34Å; F305-I310 HydrophobicContact CD1-CD1 4.4Å; F305-I310 HydrophobicContact CD1-CG1 3.9Å; F305-I310 HydrophobicContact CE1-CD1 3.61Å; F305-I310 HydrophobicContact CE1-CG1 3.6Å; F305-I310 HydrophobicContact CE2-CD1 4.48Å; F305-I310 HydrophobicContact CZ-CD1 3.66Å; F305-I310 HydrophobicContact CZ-CG1 4.04Å; F305-I310 WeakPolarHBondContact O-CG1 3.3Å; F305-I310 PolarHBondContact O-N 3.4Å; I310-Q312 PolarHBondContact O-N 3.44Å; I310-V313 HydrophobicContact CD1-CG2 4.42Å; I310-V313 WeakPolarHBondContact O-CA 3.32Å; I310-V313 VanDerWaalsContact O-CB 3.3Å; I310-V313 WeakPolarHBondContact O-CB 3.35Å; I310-V313 PolarHBondContact O-N 3.41Å; I310-L314 HydrophobicContact CG2-CD1 4.38Å; I310-L314 HydrophobicContact CG2-CG 4.39Å; I310-L314 PolarHBondContact O-N 3.46Å |
| 311 | P | 95.6 | Very high | 91.1 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.006 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -57.1 | -37 | 172.9 | -28.2 | 36.9 | 0 | 0 | 0 | 112.8 | W283 T306 L314 L315 L362 L369 | W283-P311 HydrophobicContact CH2-CG 4.47Å; T306-P311 VanDerWaalsContact O-CD 3.3Å; T306-P311 WeakPolarHBondContact O-CD 3.1Å; P311-L314 PolarHBondContact O-N 3.3Å; P311-L315 WeakPolarHBondContact O-CB 3.45Å; P311-L315 PolarHBondContact O-N 3.03Å; P311-L362 HydrophobicContact CG-CD1 4.17Å; P311-L369 HydrophobicContact CB-CD1 3.5Å; P311-L369 VanDerWaalsContact CB-CD1 3.5Å |
| 312 | Q | 93.6 | Very high | 89.6 | Confident | 67 Ų | 67 | 33.3 Ų | 33.3 | 31% | 0.313 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -70.8 | -31.7 | 174.1 | -61.1 | -65.6 | -24.3 | 0 | 0 | 113.1 | L308 K309 I310 R316 | L308-Q312 VanDerWaalsContact O-CG 3.27Å; L308-Q312 WeakPolarHBondContact O-CG 3.46Å; K309-Q312 WeakPolarHBondContact O-CB 3.22Å; K309-Q312 PolarHBondContact O-N 2.84Å; K309-Q312 VanDerWaalsContact O-N 3.16Å; I310-Q312 PolarHBondContact O-N 3.44Å; Q312-R316 PolarHBondContact O-N 3.01Å; Q312-R316 VanDerWaalsContact O-N 3.16Å |
| 313 | V | 95.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.5 | -48.6 | 170.8 | 174.5 | 0 | 0 | 0 | 0 | 109.9 | T257 L260 V261 L264 K309 I310 L315 R316 L317 | T257-V313 HydrophobicContact CG2-CB 4.12Å; T257-V313 HydrophobicContact CG2-CG2 3.38Å; L260-V313 HydrophobicContact CD2-CG1 4.48Å; L260-V313 HydrophobicContact CD2-CG2 3.51Å; L260-V313 HydrophobicContact CG-CG1 4.34Å; L260-V313 HydrophobicContact CG-CG2 4.14Å; V261-V313 HydrophobicContact CG2-CG1 3.87Å; L264-V313 HydrophobicContact CD1-CG1 3.82Å; K309-V313 WeakPolarHBondContact O-CG2 3.34Å; K309-V313 PolarHBondContact O-N 3.34Å; I310-V313 HydrophobicContact CD1-CG2 4.42Å; I310-V313 WeakPolarHBondContact O-CA 3.32Å; I310-V313 VanDerWaalsContact O-CB 3.3Å; I310-V313 WeakPolarHBondContact O-CB 3.35Å; I310-V313 PolarHBondContact O-N 3.41Å; V313-L315 VanDerWaalsContact C-N 3.33Å; V313-L315 PolarHBondContact O-N 2.93Å; V313-R316 PolarHBondContact O-N 2.85Å; V313-R316 VanDerWaalsContact O-N 3.12Å; V313-L317 HydrophobicContact CG1-CD1 3.97Å; V313-L317 HydrophobicContact CG1-CG 4.49Å; V313-L317 WeakPolarHBondContact O-CG 3.5Å; V313-L317 PolarHBondContact O-N 3.35Å |
| 314 | L | 95.2 | Very high | 85.1 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.7 | -38.9 | 178.1 | -66.1 | 178.2 | 0 | 0 | 0 | 111.9 | V279 I282 W283 I310 P311 R316 L317 K318 F329 L371 | V279-L314 HydrophobicContact CG1-CD2 4.38Å; V279-L314 HydrophobicContact CG2-CD2 4.35Å; I282-L314 HydrophobicContact CD1-CD2 4.28Å; W283-L314 HydrophobicContact CH2-CD1 3.53Å; W283-L314 HydrophobicContact CZ2-CD1 3.14Å; I310-L314 HydrophobicContact CG2-CD1 4.38Å; I310-L314 HydrophobicContact CG2-CG 4.39Å; I310-L314 PolarHBondContact O-N 3.46Å; P311-L314 PolarHBondContact O-N 3.3Å; L314-R316 VanDerWaalsContact C-N 3.29Å; L314-R316 PolarHBondContact O-N 3.14Å; L314-L317 HydrophobicContact CD2-CD1 3.97Å; L314-L317 WeakPolarHBondContact O-CB 3.32Å; L314-L317 PolarHBondContact O-N 3.36Å; L314-K318 PolarHBondContact O-N 3.48Å; L314-F329 HydrophobicContact CB-CE1 4.5Å; L314-F329 HydrophobicContact CD2-CZ 4.22Å; L314-F329 WeakPolarHBondContact O-CE1 3.5Å; L314-L371 HydrophobicContact CB-CD1 3.75Å; L314-L371 HydrophobicContact CB-CD2 4.19Å; L314-L371 HydrophobicContact CD1-CD1 4.45Å |
| 315 | L | 93.4 | Very high | 82.8 | Confident | 39 Ų | 39 | 50.7 Ų | 50.7 | 20% | 0.204 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.3 | -36.7 | 173.9 | -178.1 | 62.1 | 0 | 0 | 0 | 112.6 | P311 V313 K318 L369 | P311-L315 WeakPolarHBondContact O-CB 3.45Å; P311-L315 PolarHBondContact O-N 3.03Å; V313-L315 VanDerWaalsContact C-N 3.33Å; V313-L315 PolarHBondContact O-N 2.93Å; L315-K318 WeakPolarHBondContact O-CB 3.5Å; L315-L369 WeakPolarHBondContact CD1-O 3.31Å; L315-L369 HydrophobicContact CD2-CD2 4.29Å |
| 316 | R | 91.3 | Very high | 80.7 | Confident | 100 Ų | 100 | 55 Ų | 55 | 38% | 0.377 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -72.1 | -38.6 | 173.1 | -76.5 | -171.1 | 174.7 | 92.8 | -14.5 | 112.1 | T257 V261 Q312 V313 L314 K318 K319 Y320 | T257-R316 VanDerWaalsContact CB-CZ 3.48Å; T257-R316 PolarHBondContact OG1-NH1 3.22Å; V261-R316 HydrophobicContact CG2-CB 3.78Å; Q312-R316 PolarHBondContact O-N 3.01Å; Q312-R316 VanDerWaalsContact O-N 3.16Å; V313-R316 PolarHBondContact O-N 2.85Å; V313-R316 VanDerWaalsContact O-N 3.12Å; L314-R316 VanDerWaalsContact C-N 3.29Å; L314-R316 PolarHBondContact O-N 3.14Å; R316-K318 VanDerWaalsContact C-N 3.29Å; R316-K318 PolarHBondContact O-N 3.3Å; R316-K319 PolarHBondContact O-N 3.28Å; R316-K319 VanDerWaalsContact O-N 3.1Å; R316-Y320 PolarHBondContact O-N 3.49Å |
| 317 | L | 90.6 | Very high | 78.9 | Confident | 4 Ų | 4 | 60.8 Ų | 60.8 | 2% | 0.021 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.8 | -37.9 | 174.8 | -73.6 | 165.2 | 0 | 0 | 0 | 111.9 | V261 M265 F278 V313 L314 K319 Y320 F329 | V261-L317 HydrophobicContact CG1-CD2 3.8Å; V261-L317 HydrophobicContact CG1-CG 4.18Å; V261-L317 HydrophobicContact CG2-CG 4.46Å; M265-L317 HydrophobicContact CG-CD2 3.53Å; M265-L317 HydrophobicContact SD-CD2 3.46Å; M265-L317 WeakPolarHBondContact SD-CD2 3.13Å; F278-L317 HydrophobicContact CE1-CD1 4.16Å; V313-L317 HydrophobicContact CG1-CD1 3.97Å; V313-L317 HydrophobicContact CG1-CG 4.49Å; V313-L317 WeakPolarHBondContact O-CG 3.5Å; V313-L317 PolarHBondContact O-N 3.35Å; L314-L317 HydrophobicContact CD2-CD1 3.97Å; L314-L317 WeakPolarHBondContact O-CB 3.32Å; L314-L317 PolarHBondContact O-N 3.36Å; L317-K319 PolarHBondContact O-N 3.24Å; L317-Y320 VanDerWaalsContact O-CB 3.29Å; L317-Y320 WeakPolarHBondContact O-CB 3.5Å; L317-Y320 PolarHBondContact O-N 3.24Å; L317-F329 HydrophobicContact CB-CE1 4.4Å; L317-F329 HydrophobicContact CB-CE2 4.35Å; L317-F329 HydrophobicContact CB-CZ 3.85Å |
| 318 | K | 87.9 | Confident | 78.1 | Confident | 86 Ų | 86 | 65.1 Ų | 65.1 | 37% | 0.374 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -55.1 | -32.8 | 173.3 | -173.8 | 177.6 | 179.6 | 179 | 0 | 113.1 | L314 L315 R316 F329 T330 G370 L371 | L314-K318 PolarHBondContact O-N 3.48Å; L315-K318 WeakPolarHBondContact O-CB 3.5Å; R316-K318 VanDerWaalsContact C-N 3.29Å; R316-K318 PolarHBondContact O-N 3.3Å; K318-F329 HydrophobicContact CB-CD1 3.53Å; K318-F329 HydrophobicContact CB-CE1 3.96Å; K318-F329 HydrophobicContact CB-CG 4.36Å; K318-F329 HydrophobicContact CG-CB 4.39Å; K318-F329 HydrophobicContact CG-CD1 3.91Å; K318-T330 HydrophobicContact CD-CG2 4.24Å; K318-G370 PolarHBondContact NZ-O 3.12Å; K318-L371 HydrophobicContact CB-CD2 4.5Å; K318-L371 HydrophobicContact CD-CD2 4.33Å |
| 319 | K | 83.9 | Confident | 77.8 | Confident | 167 Ų | 167 | 65.4 Ų | 65.4 | 73% | 0.726 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -8.8 | -179.4 | -62.9 | -179.6 | -178.6 | -178.1 | 0 | 113.4 | R316 L317 | R316-K319 PolarHBondContact O-N 3.28Å; R316-K319 VanDerWaalsContact O-N 3.1Å; L317-K319 PolarHBondContact O-N 3.24Å |
| 320 | Y | 74.1 | Confident | 77.5 | Confident | 63 Ų | 63 | 66.4 Ų | 66.4 | 25% | 0.247 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -75.1 | 129.5 | -179.4 | -148.4 | -67.2 | 0 | 0 | 0 | 108.8 | V261 M265 R269 R316 L317 Q322 | V261-Y320 HydrophobicContact CG1-CD2 4.24Å; M265-Y320 HydrophobicContact CE-CD1 3.95Å; M265-Y320 HydrophobicContact CE-CE1 4.49Å; M265-Y320 HydrophobicContact CE-CG 4.16Å; M265-Y320 HydrophobicContact CG-CD2 3.99Å; M265-Y320 HydrophobicContact CG-CE2 4.18Å; M265-Y320 HydrophobicContact CG-CG 4.22Å; R269-Y320 VanDerWaalsContact NH2-CZ 3.25Å; R269-Y320 PolarHBondContact NH2-OH 2.67Å; R269-Y320 VanDerWaalsContact NH2-OH 3.15Å; R316-Y320 PolarHBondContact O-N 3.49Å; L317-Y320 VanDerWaalsContact O-CB 3.29Å; L317-Y320 WeakPolarHBondContact O-CB 3.5Å; L317-Y320 PolarHBondContact O-N 3.24Å; Y320-Q322 PolarHBondContact O-N 2.77Å |
| 321 | P | 62.3 | Low | 77.2 | Confident | 106 Ų | 106 | 70.3 Ų | 70.3 | 69% | 0.688 | 38% | 0.38 | S | S | * | . | trans | -58.1 | 107.4 | 179.4 | 19.9 | -31 | 0 | 0 | 0 | 110.1 | ||||
| 322 | Q | 60.2 | Low | 77 | Confident | 56 Ų | 56 | 70.9 Ų | 70.9 | 26% | 0.262 | 38% | 0.382 | S | S | . | . | trans | -78.9 | 118.6 | 166.7 | -59.8 | -136.2 | 53.4 | 0 | 0 | 105.7 | Y320 D324 | Y320-Q322 PolarHBondContact O-N 2.77Å; Q322-D324 PolarHBondContact O-N 3.46Å | ||
| 323 | G | 51.2 | Low | 77.1 | Confident | 68 Ų | 68 | 67.7 Ų | 67.7 | 70% | 0.701 | 37% | 0.368 | S | S | * | . | trans | -57.1 | 125.2 | -169.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | K325 | G323-K325 PolarHBondContact O-N 3.28Š| ||
| 324 | D | 41.4 | Very low | 77.1 | Confident | 179 Ų | 179 | 68 Ų | 68 | 96% | 0.957 | 37% | 0.369 | S | S | * | . | S | Bend | trans | 33.8 | -11.5 | 166.3 | -88.7 | -5.2 | 0 | 0 | 0 | 122.4 | Q322 | Q322-D324 PolarHBondContact O-N 3.46Š|
| 325 | K | 47.9 | Very low | 77.1 | Confident | 119 Ų | 119 | 69.9 Ų | 69.9 | 52% | 0.517 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -96.5 | 112.8 | 172.3 | -61.2 | -173.7 | -177.1 | -178.1 | 0 | 105.5 | G323 Q327 | G323-K325 PolarHBondContact O-N 3.28Å; K325-Q327 PolarHBondContact O-N 3.42Å |
| 326 | G | 50.8 | Low | 77.1 | Confident | 91 Ų | 91 | 68 Ų | 68 | 94% | 0.938 | 37% | 0.369 | S | S | * | . | trans | -62.5 | 51.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115 | D328 | G326-D328 PolarHBondContact O-N 3.15Š| ||
| 327 | Q | 60 | Low | 77.4 | Confident | 121 Ų | 121 | 63.3 Ų | 63.3 | 57% | 0.565 | 35% | 0.352 | S | S | * | . | trans | -72.1 | 119.7 | 170.1 | -78.8 | -177 | -27.8 | 0 | 0 | 108.6 | K325 F329 | K325-Q327 PolarHBondContact O-N 3.42Å; Q327-F329 PolarHBondContact O-N 2.93Å | ||
| 328 | D | 78.9 | Confident | 77.6 | Confident | 92 Ų | 92 | 66.5 Ų | 66.5 | 49% | 0.492 | 37% | 0.366 | S | S | . | . | trans | -74.8 | 112.8 | 175.7 | -169.8 | -14.5 | 0 | 0 | 0 | 109.6 | G326 T330 E331 D332 | G326-D328 PolarHBondContact O-N 3.15Å; D328-T330 PolarHBondContact O-N 3.16Å; D328-T330 VanDerWaalsContact O-N 3.17Å; D328-T330 WeakPolarHBondContact OD1-CB 3.49Å; D328-T330 PolarHBondContact OD1-N 3.27Å; D328-T330 PolarHBondContact OD1-OG1 3.37Å; D328-T330 PolarHBondContact OD2-OG1 3.18Å; D328-E331 HydrophobicContact CB-CB 4.25Å; D328-E331 WeakPolarHBondContact O-CB 3.46Å; D328-E331 PolarHBondContact O-N 3.2Å; D328-D332 PolarHBondContact O-N 3.15Å | ||
| 329 | F | 87.6 | Confident | 78 | Confident | 11 Ų | 11 | 66.7 Ų | 66.7 | 5% | 0.048 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -58.8 | -26.5 | 176.4 | -177 | -105.2 | 0 | 0 | 0 | 112.5 | V279 L314 L317 K318 Q327 E331 D332 V333 L371 | V279-F329 HydrophobicContact CG2-CE2 4.11Å; V279-F329 HydrophobicContact CG2-CZ 4.21Å; L314-F329 HydrophobicContact CB-CE1 4.5Å; L314-F329 HydrophobicContact CD2-CZ 4.22Å; L314-F329 WeakPolarHBondContact O-CE1 3.5Å; L317-F329 HydrophobicContact CB-CE1 4.4Å; L317-F329 HydrophobicContact CB-CE2 4.35Å; L317-F329 HydrophobicContact CB-CZ 3.85Å; K318-F329 HydrophobicContact CB-CD1 3.53Å; K318-F329 HydrophobicContact CB-CE1 3.96Å; K318-F329 HydrophobicContact CB-CG 4.36Å; K318-F329 HydrophobicContact CG-CB 4.39Å; K318-F329 HydrophobicContact CG-CD1 3.91Å; Q327-F329 PolarHBondContact O-N 2.93Å; F329-E331 VanDerWaalsContact C-N 3.29Å; F329-D332 WeakPolarHBondContact O-CB 3.08Å; F329-D332 PolarHBondContact O-N 3.11Å; F329-V333 HydrophobicContact CD1-CG2 4.07Å; F329-V333 HydrophobicContact CE1-CG2 3.74Å; F329-V333 HydrophobicContact CZ-CG2 4.05Å; F329-V333 VanDerWaalsContact O-CG2 3.31Å; F329-V333 WeakPolarHBondContact O-CG2 3.34Å; F329-V333 PolarHBondContact O-N 3.33Å; F329-L371 HydrophobicContact CE1-CD2 4.17Å |
| 330 | T | 90.3 | Very high | 78.5 | Confident | 24 Ų | 24 | 58.8 Ų | 58.8 | 15% | 0.147 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -68.8 | -31.8 | 176 | 65.9 | 0 | 0 | 0 | 0 | 112 | K318 D328 V333 N334 | K318-T330 HydrophobicContact CD-CG2 4.24Å; D328-T330 PolarHBondContact O-N 3.16Å; D328-T330 VanDerWaalsContact O-N 3.17Å; D328-T330 WeakPolarHBondContact OD1-CB 3.49Å; D328-T330 PolarHBondContact OD1-N 3.27Å; D328-T330 PolarHBondContact OD1-OG1 3.37Å; D328-T330 PolarHBondContact OD2-OG1 3.18Å; T330-V333 PolarHBondContact O-N 3.12Å; T330-N334 PolarHBondContact O-N 3.36Å |
| 331 | E | 90.8 | Very high | 79.4 | Confident | 83 Ų | 83 | 56.3 Ų | 56.3 | 39% | 0.388 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -72.6 | -38.3 | 173 | -172.5 | 55.8 | -158.5 | 0 | 0 | 111.3 | D328 F329 V333 N334 I335 | D328-E331 HydrophobicContact CB-CB 4.25Å; D328-E331 WeakPolarHBondContact O-CB 3.46Å; D328-E331 PolarHBondContact O-N 3.2Å; F329-E331 VanDerWaalsContact C-N 3.29Å; E331-V333 VanDerWaalsContact C-N 3.28Å; E331-V333 PolarHBondContact O-N 3.07Å; E331-N334 WeakPolarHBondContact O-CB 3.4Å; E331-N334 PolarHBondContact O-N 2.75Å; E331-N334 PolarHBondContact OE2-ND2 3.15Å; E331-I335 HydrophobicContact CG-CD1 4.05Å; E331-I335 HydrophobicContact CG-CG1 4.47Å; E331-I335 VanDerWaalsContact O-CG1 3.32Å; E331-I335 WeakPolarHBondContact O-CG1 3.16Å; E331-I335 PolarHBondContact O-N 3.25Å |
| 332 | D | 91.5 | Very high | 80.8 | Confident | 12 Ų | 12 | 58.7 Ų | 58.7 | 6% | 0.064 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -57.1 | -42.7 | 171.8 | -75.8 | -22.8 | 0 | 0 | 0 | 111.8 | P276 D328 F329 A336 | P276-D332 WeakPolarHBondContact CD-OD1 3.47Å; P276-D332 HydrophobicContact CG-CB 4.3Å; D328-D332 PolarHBondContact O-N 3.15Å; F329-D332 WeakPolarHBondContact O-CB 3.08Å; F329-D332 PolarHBondContact O-N 3.11Å; D332-A336 WeakPolarHBondContact O-CB 3.32Å; D332-A336 PolarHBondContact O-N 3.4Å |
| 333 | V | 94.5 | Very high | 82.4 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -65.8 | -43.3 | 177.1 | 172.9 | 0 | 0 | 0 | 0 | 111 | V279 F329 T330 E331 A336 F337 L372 | V279-V333 HydrophobicContact CG1-CG2 4.34Å; V279-V333 HydrophobicContact CG2-CG2 4.37Å; F329-V333 HydrophobicContact CD1-CG2 4.07Å; F329-V333 HydrophobicContact CE1-CG2 3.74Å; F329-V333 HydrophobicContact CZ-CG2 4.05Å; F329-V333 VanDerWaalsContact O-CG2 3.31Å; F329-V333 WeakPolarHBondContact O-CG2 3.34Å; F329-V333 PolarHBondContact O-N 3.33Å; T330-V333 PolarHBondContact O-N 3.12Å; E331-V333 VanDerWaalsContact C-N 3.28Å; E331-V333 PolarHBondContact O-N 3.07Å; V333-A336 WeakPolarHBondContact O-CB 3.37Å; V333-A336 PolarHBondContact O-N 3.34Å; V333-F337 HydrophobicContact CG1-CD2 3.83Å; V333-F337 HydrophobicContact CG1-CE2 3.6Å; V333-F337 VanDerWaalsContact O-CD2 3.24Å; V333-F337 WeakPolarHBondContact O-CD2 3.3Å; V333-F337 PolarHBondContact O-N 2.99Å; V333-L372 HydrophobicContact CG1-CD2 4.02Å; V333-L372 HydrophobicContact CG1-CG 4.3Å |
| 334 | N | 95.2 | Very high | 84.3 | Confident | 7 Ų | 7 | 57.6 Ų | 57.6 | 4% | 0.037 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -58.6 | -50.7 | 175.9 | -178.8 | 37.9 | 0 | 0 | 0 | 111.6 | T330 E331 A336 F337 Q338 L372 N376 | T330-N334 PolarHBondContact O-N 3.36Å; E331-N334 WeakPolarHBondContact O-CB 3.4Å; E331-N334 PolarHBondContact O-N 2.75Å; E331-N334 PolarHBondContact OE2-ND2 3.15Å; N334-A336 VanDerWaalsContact C-N 3.3Å; N334-A336 PolarHBondContact O-N 3.49Å; N334-F337 PolarHBondContact O-N 2.96Å; N334-Q338 WeakPolarHBondContact O-CG 3.37Å; N334-Q338 PolarHBondContact O-N 3.02Å; N334-L372 HydrophobicContact CB-CD2 4.06Å; N334-N376 PolarHBondContact ND2-ND2 3.49Å |
| 335 | I | 94.5 | Very high | 86.6 | Confident | 40 Ų | 40 | 53.7 Ų | 53.7 | 21% | 0.205 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.4 | -40 | 177.6 | -63.8 | 168 | 0 | 0 | 0 | 110.7 | P276 E331 F337 Q338 Y339 | P276-I335 HydrophobicContact CB-CB 4.02Å; P276-I335 HydrophobicContact CB-CG2 3.69Å; P276-I335 HydrophobicContact CG-CB 4.16Å; P276-I335 HydrophobicContact CG-CD1 4.38Å; P276-I335 HydrophobicContact CG-CG2 4.01Å; E331-I335 HydrophobicContact CG-CD1 4.05Å; E331-I335 HydrophobicContact CG-CG1 4.47Å; E331-I335 VanDerWaalsContact O-CG1 3.32Å; E331-I335 WeakPolarHBondContact O-CG1 3.16Å; E331-I335 PolarHBondContact O-N 3.25Å; I335-F337 VanDerWaalsContact C-N 3.33Å; I335-F337 PolarHBondContact O-N 2.91Å; I335-Q338 WeakPolarHBondContact O-CB 3.45Å; I335-Q338 PolarHBondContact O-N 3.4Å; I335-Q338 VanDerWaalsContact O-N 3.15Å; I335-Y339 HydrophobicContact CG2-CD2 4.14Å; I335-Y339 HydrophobicContact CG2-CE1 4.25Å; I335-Y339 HydrophobicContact CG2-CE2 3.57Å; I335-Y339 PolarHBondContact O-N 3.03Å |
| 336 | A | 95.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.3 | -41 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | P276 V279 L280 D332 V333 N334 Y339 L340 | P276-A336 VanDerWaalsContact O-CB 3.3Å; P276-A336 WeakPolarHBondContact O-CB 3.35Å; V279-A336 HydrophobicContact CB-CB 3.71Å; V279-A336 HydrophobicContact CG1-CB 3.68Å; L280-A336 HydrophobicContact CB-CB 4.39Å; D332-A336 WeakPolarHBondContact O-CB 3.32Å; D332-A336 PolarHBondContact O-N 3.4Å; V333-A336 WeakPolarHBondContact O-CB 3.37Å; V333-A336 PolarHBondContact O-N 3.34Å; N334-A336 VanDerWaalsContact C-N 3.3Å; N334-A336 PolarHBondContact O-N 3.49Å; A336-Y339 PolarHBondContact O-N 3.06Å; A336-L340 PolarHBondContact O-N 2.93Å |
| 337 | F | 96.9 | Very high | 90.7 | Very high | 1 Ų | 1 | 45.2 Ų | 45.2 | 0% | 0.004 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.1 | -37.2 | 173.5 | -81.1 | -64.9 | 0 | 0 | 0 | 112.7 | W283 V333 N334 I335 Y339 L340 L341 L359 L362 L363 C366 L372 L380 | W283-F337 AromaticContact CE2-CZ 3.76Å; W283-F337 HydrophobicContact CZ2-CE1 4.48Å; W283-F337 HydrophobicContact CZ2-CE2 4.41Å; W283-F337 AromaticContact CZ2-CZ 3.76Å; W283-F337 HydrophobicContact CZ2-CZ 3.76Å; W283-F337 AromaticContact NE1-CE1 3.82Å; W283-F337 AromaticContact NE1-CE2 3.97Å; W283-F337 AromaticContact NE1-CZ 3.58Å; V333-F337 HydrophobicContact CG1-CD2 3.83Å; V333-F337 HydrophobicContact CG1-CE2 3.6Å; V333-F337 VanDerWaalsContact O-CD2 3.24Å; V333-F337 WeakPolarHBondContact O-CD2 3.3Å; V333-F337 PolarHBondContact O-N 2.99Å; N334-F337 PolarHBondContact O-N 2.96Å; I335-F337 VanDerWaalsContact C-N 3.33Å; I335-F337 PolarHBondContact O-N 2.91Å; F337-Y339 VanDerWaalsContact C-N 3.27Å; F337-Y339 PolarHBondContact O-N 3.29Å; F337-L340 HydrophobicContact CD1-CD2 4.11Å; F337-L340 HydrophobicContact CE1-CD2 4.33Å; F337-L340 PolarHBondContact O-N 3.41Å; F337-L341 WeakPolarHBondContact O-CG 3.33Å; F337-L341 PolarHBondContact O-N 3.02Å; F337-L359 HydrophobicContact CD1-CD1 3.89Å; F337-L359 HydrophobicContact CE1-CD1 3.97Å; F337-L362 HydrophobicContact CE1-CD2 3.97Å; F337-L362 HydrophobicContact CE1-CG 4.35Å; F337-L362 HydrophobicContact CZ-CD2 4.24Å; F337-L362 HydrophobicContact CZ-CG 4.27Å; F337-L363 HydrophobicContact CD1-CD2 3.8Å; F337-L363 HydrophobicContact CD2-CD2 4.03Å; F337-L363 HydrophobicContact CE1-CD2 3.89Å; F337-L363 HydrophobicContact CE2-CD2 4.12Å; F337-L363 HydrophobicContact CG-CD2 3.87Å; F337-L363 HydrophobicContact CZ-CD2 4.05Å; F337-C366 HydrophobicContact CE2-CB 4.45Å; F337-L372 HydrophobicContact CD2-CD1 3.88Å; F337-L372 HydrophobicContact CD2-CD2 4.17Å; F337-L372 HydrophobicContact CD2-CG 4.43Å; F337-L372 HydrophobicContact CE2-CD1 3.75Å; F337-L372 HydrophobicContact CE2-CG 4.33Å; F337-L380 HydrophobicContact CB-CD1 3.66Å; F337-L380 HydrophobicContact CB-CD2 4Å; F337-L380 HydrophobicContact CB-CG 4.48Å; F337-L380 HydrophobicContact CD2-CD1 4.41Å; F337-L380 HydrophobicContact CG-CD1 4.22Å |
| 338 | Q | 94.9 | Very high | 92.1 | Very high | 70 Ų | 70 | 41.1 Ų | 41.1 | 33% | 0.327 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -62.4 | -35.2 | 173.1 | -64.6 | 177.4 | 21.5 | 0 | 0 | 112.2 | N334 I335 L380 | N334-Q338 WeakPolarHBondContact O-CG 3.37Å; N334-Q338 PolarHBondContact O-N 3.02Å; I335-Q338 WeakPolarHBondContact O-CB 3.45Å; I335-Q338 PolarHBondContact O-N 3.4Å; I335-Q338 VanDerWaalsContact O-N 3.15Å; Q338-L380 HydrophobicContact CG-CD2 3.84Å |
| 339 | Y | 95 | Very high | 92.7 | Very high | 91 Ų | 91 | 42.9 Ų | 42.9 | 36% | 0.357 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -71.5 | -38.8 | 171.7 | -64.8 | -28.1 | 0 | 0 | 0 | 112.6 | P276 L277 L280 I335 A336 F337 L341 K342 | P276-Y339 HydrophobicContact CB-CD2 4.41Å; P276-Y339 HydrophobicContact CB-CE2 3.99Å; L277-Y339 HydrophobicContact CD2-CD2 4.2Å; L277-Y339 HydrophobicContact CD2-CE2 4.09Å; L280-Y339 HydrophobicContact CD2-CD2 4.24Å; L280-Y339 HydrophobicContact CD2-CG 4.4Å; I335-Y339 HydrophobicContact CG2-CD2 4.14Å; I335-Y339 HydrophobicContact CG2-CE1 4.25Å; I335-Y339 HydrophobicContact CG2-CE2 3.57Å; I335-Y339 PolarHBondContact O-N 3.03Å; A336-Y339 PolarHBondContact O-N 3.06Å; F337-Y339 VanDerWaalsContact C-N 3.27Å; F337-Y339 PolarHBondContact O-N 3.29Å; Y339-L341 VanDerWaalsContact C-N 3.33Å; Y339-L341 PolarHBondContact O-N 2.72Å; Y339-K342 WeakPolarHBondContact O-CB 3.24Å; Y339-K342 PolarHBondContact O-N 3.36Å |
| 340 | L | 95.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.5 | -38.3 | 177.9 | -176.5 | 62.6 | 0 | 0 | 0 | 112.1 | L280 W283 F287 A336 F337 K342 L343 L346 L347 L359 | L280-L340 HydrophobicContact CD1-CB 3.94Å; L280-L340 HydrophobicContact CD1-CD1 4.32Å; W283-L340 HydrophobicContact CB-CD1 4.43Å; W283-L340 HydrophobicContact CB-CD2 3.94Å; W283-L340 HydrophobicContact CG-CD2 4.27Å; F287-L340 HydrophobicContact CE2-CD2 4.15Å; A336-L340 PolarHBondContact O-N 2.93Å; F337-L340 HydrophobicContact CD1-CD2 4.11Å; F337-L340 HydrophobicContact CE1-CD2 4.33Å; F337-L340 PolarHBondContact O-N 3.41Å; L340-K342 PolarHBondContact O-N 3.29Å; L340-L343 HydrophobicContact CD1-CD1 4.24Å; L340-L343 WeakPolarHBondContact O-CA 3.39Å; L340-L343 WeakPolarHBondContact O-CB 3.42Å; L340-L343 PolarHBondContact O-N 2.94Å; L340-L346 HydrophobicContact CD1-CD2 4.4Å; L340-L347 HydrophobicContact CD1-CD2 4.39Å; L340-L347 HydrophobicContact CD2-CD2 4.39Å; L340-L347 HydrophobicContact CG-CD2 4.16Å; L340-L359 HydrophobicContact CD2-CD1 4.07Å |
| 341 | L | 93.3 | Very high | 92.7 | Very high | 11 Ų | 11 | 41.5 Ų | 41.5 | 6% | 0.058 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -55.8 | -32.1 | 175 | -80.2 | 171.7 | 0 | 0 | 0 | 112.8 | F337 Y339 L343 T344 L359 L380 K383 R384 | F337-L341 WeakPolarHBondContact O-CG 3.33Å; F337-L341 PolarHBondContact O-N 3.02Å; Y339-L341 VanDerWaalsContact C-N 3.33Å; Y339-L341 PolarHBondContact O-N 2.72Å; L341-L343 PolarHBondContact O-N 3.44Å; L341-T344 PolarHBondContact O-OG1 3.28Å; L341-L359 HydrophobicContact CD2-CD2 3.36Å; L341-L359 HydrophobicContact CG-CD2 4.17Å; L341-L380 HydrophobicContact CD1-CD2 3.56Å; L341-K383 HydrophobicContact CD1-CB 4.04Å; L341-K383 HydrophobicContact CD1-CD 4.29Å; L341-R384 HydrophobicContact CD2-CB 3.89Å |
| 342 | K | 92.6 | Very high | 92.5 | Very high | 156 Ų | 156 | 42.6 Ų | 42.6 | 68% | 0.678 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -10.8 | 176.6 | -58.4 | 179.8 | -178.1 | -178.7 | 0 | 113.3 | Y339 L340 T344 | Y339-K342 WeakPolarHBondContact O-CB 3.24Å; Y339-K342 PolarHBondContact O-N 3.36Å; L340-K342 PolarHBondContact O-N 3.29Å; K342-T344 VanDerWaalsContact C-N 3.33Å; K342-T344 PolarHBondContact O-N 3.31Å |
| 343 | L | 92.6 | Very high | 92.2 | Very high | 61 Ų | 61 | 44.1 Ų | 44.1 | 32% | 0.319 | 21% | 0.213 | S | C | . | . | trans | -96.6 | 48 | 178.1 | -55.3 | 178.1 | 0 | 0 | 0 | 111.1 | L280 K284 L340 L341 P345 L346 L347 | L280-L343 HydrophobicContact CD1-CD1 4.3Å; K284-L343 HydrophobicContact CD-CD1 3.72Å; K284-L343 HydrophobicContact CG-CD1 3.76Å; L340-L343 HydrophobicContact CD1-CD1 4.24Å; L340-L343 WeakPolarHBondContact O-CA 3.39Å; L340-L343 WeakPolarHBondContact O-CB 3.42Å; L340-L343 PolarHBondContact O-N 2.94Å; L341-L343 PolarHBondContact O-N 3.44Å; L343-P345 VanDerWaalsContact C-CD 3.43Å; L343-P345 VanDerWaalsContact C-N 3.34Å; L343-L346 HydrophobicContact CB-CB 4.27Å; L343-L346 HydrophobicContact CD1-CD2 4.47Å; L343-L346 WeakPolarHBondContact O-CB 3.43Å; L343-L346 PolarHBondContact O-N 3.35Å; L343-L347 PolarHBondContact O-N 3.02Å | ||
| 344 | T | 90.5 | Very high | 91.7 | Very high | 41 Ų | 41 | 44.3 Ų | 44.3 | 25% | 0.252 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -48.7 | -43.8 | -176.2 | -36.9 | 0 | 0 | 0 | 0 | 114 | L341 K342 L346 L347 D348 | L341-T344 PolarHBondContact O-OG1 3.28Å; K342-T344 VanDerWaalsContact C-N 3.33Å; K342-T344 PolarHBondContact O-N 3.31Å; T344-L346 VanDerWaalsContact C-N 3.26Å; T344-L346 PolarHBondContact O-N 2.79Å; T344-L347 PolarHBondContact O-N 3.48Å; T344-L347 VanDerWaalsContact O-N 3.15Å; T344-D348 WeakPolarHBondContact O-CB 3.41Å; T344-D348 VanDerWaalsContact O-CG 3.3Å; T344-D348 PolarHBondContact O-N 3.02Å |
| 345 | P | 91.1 | Very high | 91.1 | Very high | 96 Ų | 96 | 45.4 Ų | 45.4 | 62% | 0.623 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -62.7 | -28.6 | 178.7 | -23.8 | 35.1 | 0 | 0 | 0 | 114.6 | L343 K349 | L343-P345 VanDerWaalsContact C-CD 3.43Å; L343-P345 VanDerWaalsContact C-N 3.34Å; P345-K349 WeakPolarHBondContact O-CB 3.38Å; P345-K349 WeakPolarHBondContact O-CG 3.42Å; P345-K349 PolarHBondContact O-N 3.05Å |
| 346 | L | 92.4 | Very high | 90.6 | Very high | 33 Ų | 33 | 44.5 Ų | 44.5 | 17% | 0.173 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -72.2 | -47 | 175.2 | -179.7 | 69.5 | 0 | 0 | 0 | 110 | K284 F287 I291 L340 L343 T344 K349 A350 | K284-L346 HydrophobicContact CG-CD2 4.36Å; F287-L346 HydrophobicContact CB-CD1 4.26Å; F287-L346 HydrophobicContact CB-CD2 4Å; F287-L346 HydrophobicContact CB-CG 4Å; I291-L346 HydrophobicContact CD1-CD1 3.63Å; I291-L346 HydrophobicContact CD1-CG 4.5Å; L340-L346 HydrophobicContact CD1-CD2 4.4Å; L343-L346 HydrophobicContact CB-CB 4.27Å; L343-L346 HydrophobicContact CD1-CD2 4.47Å; L343-L346 WeakPolarHBondContact O-CB 3.43Å; L343-L346 PolarHBondContact O-N 3.35Å; T344-L346 VanDerWaalsContact C-N 3.26Å; T344-L346 PolarHBondContact O-N 2.79Å; L346-K349 PolarHBondContact O-N 3.22Å; L346-A350 PolarHBondContact O-N 3.39Å; L346-A350 VanDerWaalsContact O-N 3.11Å |
| 347 | L | 92.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.6 | -45.4 | 179.6 | -63.9 | 177.7 | 0 | 0 | 0 | 111.6 | F287 L340 L343 T344 K349 A350 D351 L359 | F287-L347 HydrophobicContact CD1-CD2 3.93Å; F287-L347 HydrophobicContact CE1-CD2 3.57Å; F287-L347 HydrophobicContact CZ-CD2 3.93Å; L340-L347 HydrophobicContact CD1-CD2 4.39Å; L340-L347 HydrophobicContact CD2-CD2 4.39Å; L340-L347 HydrophobicContact CG-CD2 4.16Å; L343-L347 PolarHBondContact O-N 3.02Å; T344-L347 PolarHBondContact O-N 3.48Å; T344-L347 VanDerWaalsContact O-N 3.15Å; L347-K349 VanDerWaalsContact C-N 3.32Å; L347-K349 PolarHBondContact O-N 2.85Å; L347-A350 PolarHBondContact O-N 2.91Å; L347-A350 VanDerWaalsContact O-N 3.15Å; L347-D351 PolarHBondContact O-N 3.41Å; L347-L359 HydrophobicContact CD1-CD2 4.08Å |
| 348 | D | 89.3 | Confident | 89.9 | Confident | 34 Ų | 34 | 46 Ų | 46 | 18% | 0.182 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64 | -37.1 | -179.9 | -68.4 | -14.2 | 0 | 0 | 0 | 112.1 | T344 Q352 R384 | T344-D348 WeakPolarHBondContact O-CB 3.41Å; T344-D348 VanDerWaalsContact O-CG 3.3Å; T344-D348 PolarHBondContact O-N 3.02Å; D348-Q352 WeakPolarHBondContact O-CB 3.35Å; D348-Q352 WeakPolarHBondContact O-CG 3.45Å; D348-Q352 PolarHBondContact O-N 3.06Å; D348-R384 IonicContact OD1-CZ 2.97Å; D348-R384 IonicContact OD1-NH1 3.9Å; D348-R384 PolarHBondContact OD1-NH1 3.33Å; D348-R384 IonicContact OD1-NH2 2.65Å; D348-R384 PolarHBondContact OD1-NH2 3.26Å |
| 349 | K | 90.3 | Very high | 89.8 | Confident | 129 Ų | 129 | 42.7 Ų | 42.7 | 56% | 0.561 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -66 | -39.6 | 173.7 | -81.1 | -175.6 | 177 | -174.6 | 0 | 112.3 | I291 P345 L346 L347 R353 | I291-K349 HydrophobicContact CD1-CB 3.68Å; I291-K349 HydrophobicContact CG1-CB 4.12Å; P345-K349 WeakPolarHBondContact O-CB 3.38Å; P345-K349 WeakPolarHBondContact O-CG 3.42Å; P345-K349 PolarHBondContact O-N 3.05Å; L346-K349 PolarHBondContact O-N 3.22Å; L347-K349 VanDerWaalsContact C-N 3.32Å; L347-K349 PolarHBondContact O-N 2.85Å; K349-R353 WeakPolarHBondContact O-CB 3.48Å; K349-R353 PolarHBondContact O-N 3Å |
| 350 | A | 90.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -67.9 | -43.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | F287 I291 L346 L347 Q352 R353 C354 | F287-A350 HydrophobicContact CD1-CB 3.45Å; F287-A350 VanDerWaalsContact CD1-CB 3.45Å; F287-A350 HydrophobicContact CE1-CB 3.95Å; I291-A350 HydrophobicContact CD1-CB 4.25Å; I291-A350 HydrophobicContact CG1-CB 4.12Å; L346-A350 PolarHBondContact O-N 3.39Å; L346-A350 VanDerWaalsContact O-N 3.11Å; L347-A350 PolarHBondContact O-N 2.91Å; L347-A350 VanDerWaalsContact O-N 3.15Å; A350-Q352 VanDerWaalsContact C-N 3.3Å; A350-Q352 PolarHBondContact O-N 3.33Å; A350-R353 PolarHBondContact O-N 3.47Å; A350-R353 VanDerWaalsContact O-N 3.11Å; A350-C354 WeakPolarHBondContact O-CB 3.16Å; A350-C354 PolarHBondContact O-N 3.49Å |
| 351 | D | 88.3 | Confident | 89.5 | Confident | 6 Ų | 6 | 40.9 Ų | 40.9 | 3% | 0.032 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61 | -40.7 | 176.4 | -72.8 | -6.2 | 0 | 0 | 0 | 111.2 | L347 N355 C356 C358 R384 L394 | L347-D351 PolarHBondContact O-N 3.41Å; D351-N355 WeakPolarHBondContact O-CA 3.44Å; D351-N355 PolarHBondContact O-N 3.19Å; D351-C356 VanDerWaalsContact CA-O 3.25Å; D351-C356 WeakPolarHBondContact CA-O 3.36Å; D351-C356 VanDerWaalsContact CB-O 3.29Å; D351-C356 WeakPolarHBondContact CB-O 3.36Å; D351-C356 VanDerWaalsContact CG-O 3.27Å; D351-C356 PolarHBondContact O-N 3.45Å; D351-C356 VanDerWaalsContact OD1-O 3.1Å; D351-C358 WeakPolarHBondContact OD1-CB 3.29Å; D351-C358 PolarHBondContact OD1-N 2.62Å; D351-R384 IonicContact OD2-CZ 3.45Å; D351-R384 IonicContact OD2-NE 2.71Å; D351-R384 IonicContact OD2-NH2 3.33Å; D351-R384 PolarHBondContact OD2-NH2 2.84Å; D351-L394 WeakPolarHBondContact O-CD2 3.27Å |
| 352 | Q | 85.8 | Confident | 89.6 | Confident | 107 Ų | 107 | 40.3 Ų | 40.3 | 50% | 0.5 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -64 | -41.7 | 173.4 | -74.7 | 170.2 | 24.7 | 0 | 0 | 112.4 | D348 A350 | D348-Q352 WeakPolarHBondContact O-CB 3.35Å; D348-Q352 WeakPolarHBondContact O-CG 3.45Å; D348-Q352 PolarHBondContact O-N 3.06Å; A350-Q352 VanDerWaalsContact C-N 3.3Å; A350-Q352 PolarHBondContact O-N 3.33Å |
| 353 | R | 85.8 | Confident | 89.7 | Confident | 44 Ų | 44 | 33 Ų | 33 | 17% | 0.166 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67.2 | -44.5 | -179.3 | -176.5 | 70.1 | -179.9 | 91.5 | 3.2 | 112.1 | S293 E299 K349 A350 | S293-R353 PolarHBondContact O-NH2 3.01Å; S293-R353 VanDerWaalsContact O-NH2 3.09Å; E299-R353 VanDerWaalsContact CD-NH1 3.3Å; E299-R353 IonicContact OE1-CZ 3.76Å; E299-R353 VanDerWaalsContact OE1-CZ 3.23Å; E299-R353 IonicContact OE1-NH1 3.91Å; E299-R353 PolarHBondContact OE1-NH1 3.02Å; E299-R353 IonicContact OE1-NH2 3.24Å; E299-R353 PolarHBondContact OE1-NH2 2.99Å; E299-R353 IonicContact OE2-CZ 3.96Å; E299-R353 IonicContact OE2-NH1 3.99Å; E299-R353 IonicContact OE2-NH2 2.72Å; E299-R353 PolarHBondContact OE2-NH2 3.29Å; K349-R353 WeakPolarHBondContact O-CB 3.48Å; K349-R353 PolarHBondContact O-N 3Å; A350-R353 PolarHBondContact O-N 3.47Å; A350-R353 VanDerWaalsContact O-N 3.11Å |
| 354 | C | 83.6 | Confident | 89.8 | Confident | 3 Ų | 3 | 35.8 Ų | 35.8 | 2% | 0.02 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -90.6 | -6.5 | -176.9 | -66.6 | 0 | 0 | 0 | 0 | 113.8 | A350 C356 C358 P406 | A350-C354 WeakPolarHBondContact O-CB 3.16Å; A350-C354 PolarHBondContact O-N 3.49Å; C354-C356 VanDerWaalsContact C-N 3.27Å; C354-C356 PolarHBondContact O-N 3.33Å; C354-C358 WeakPolarHBondContact CB-SG 3.26Å; C354-P406 HydrophobicContact CB-CG 4.24Å |
| 355 | N | 82.4 | Confident | 90 | Very high | 30 Ų | 30 | 35.1 Ų | 35.1 | 16% | 0.16 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | 40.5 | -174.7 | -164.1 | 40.9 | 0 | 0 | 0 | 113.8 | D351 | D351-N355 WeakPolarHBondContact O-CA 3.44Å; D351-N355 PolarHBondContact O-N 3.19Å |
| 356 | C | 84.3 | Confident | 90.2 | Very high | 21 Ų | 21 | 30.6 Ų | 30.6 | 14% | 0.142 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -155.8 | 174.2 | -179.6 | 73.1 | 0 | 0 | 0 | 0 | 112.1 | D351 C354 C358 P406 | D351-C356 VanDerWaalsContact CA-O 3.25Å; D351-C356 WeakPolarHBondContact CA-O 3.36Å; D351-C356 VanDerWaalsContact CB-O 3.29Å; D351-C356 WeakPolarHBondContact CB-O 3.36Å; D351-C356 VanDerWaalsContact CG-O 3.27Å; D351-C356 PolarHBondContact O-N 3.45Å; D351-C356 VanDerWaalsContact OD1-O 3.1Å; C354-C356 VanDerWaalsContact C-N 3.27Å; C354-C356 PolarHBondContact O-N 3.33Å; C356-C358 PolarHBondContact O-N 2.95Å; C356-C358 VanDerWaalsContact O-N 3.16Å; C356-P406 WeakPolarHBondContact SG-CD 3.34Å; C356-P406 VanDerWaalsContact SG-CG 3.56Å |
| 357 | D | 87.1 | Confident | 90.3 | Very high | 32 Ų | 32 | 31 Ų | 31 | 17% | 0.171 | 15% | 0.15 | C | C | . | . | trans | -78.4 | 89.4 | 167.8 | -170.9 | -13.5 | 0 | 0 | 0 | 110.6 | L359 G360 M361 R388 | D357-L359 VanDerWaalsContact C-N 3.31Å; D357-L359 PolarHBondContact O-N 3.49Å; D357-L359 PolarHBondContact OD1-N 3.24Å; D357-G360 PolarHBondContact O-N 3.04Å; D357-G360 PolarHBondContact OD1-N 3.49Å; D357-M361 WeakPolarHBondContact O-CG 3.42Å; D357-M361 PolarHBondContact O-N 3.48Å; D357-R388 VanDerWaalsContact CG-NH1 3.29Å; D357-R388 IonicContact OD2-NH1 3.85Å; D357-R388 PolarHBondContact OD2-NH1 3.39Å | ||
| 358 | C | 91.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.8 | -40 | -177.9 | -72.3 | 0 | 0 | 0 | 0 | 111.6 | F287 F307 D351 C354 C356 L362 | F287-C358 HydrophobicContact CE1-CB 3.75Å; F287-C358 HydrophobicContact CZ-CB 4.26Å; F307-C358 WeakPolarHBondContact CE1-O 3.32Å; F307-C358 HydrophobicContact CZ-CB 4.1Å; D351-C358 WeakPolarHBondContact OD1-CB 3.29Å; D351-C358 PolarHBondContact OD1-N 2.62Å; C354-C358 WeakPolarHBondContact CB-SG 3.26Å; C356-C358 PolarHBondContact O-N 2.95Å; C356-C358 VanDerWaalsContact O-N 3.16Å; C358-L362 WeakPolarHBondContact O-CB 3.44Å; C358-L362 PolarHBondContact O-N 3.05Å; C358-L362 VanDerWaalsContact O-N 3.14Å |
| 359 | L | 92.8 | Very high | 90.6 | Very high | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67.7 | -46.9 | -179.3 | -176.5 | 64.3 | 0 | 0 | 0 | 111 | F337 L340 L341 L347 D357 M361 L362 L363 R384 | F337-L359 HydrophobicContact CD1-CD1 3.89Å; F337-L359 HydrophobicContact CE1-CD1 3.97Å; L340-L359 HydrophobicContact CD2-CD1 4.07Å; L341-L359 HydrophobicContact CD2-CD2 3.36Å; L341-L359 HydrophobicContact CG-CD2 4.17Å; L347-L359 HydrophobicContact CD1-CD2 4.08Å; D357-L359 VanDerWaalsContact C-N 3.31Å; D357-L359 PolarHBondContact O-N 3.49Å; D357-L359 PolarHBondContact OD1-N 3.24Å; L359-M361 VanDerWaalsContact C-N 3.31Å; L359-M361 PolarHBondContact O-N 3.37Å; L359-L362 PolarHBondContact O-N 3.04Å; L359-L362 VanDerWaalsContact O-N 3.11Å; L359-L363 HydrophobicContact CD1-CG 4.29Å; L359-L363 HydrophobicContact CG-CD1 4.06Å; L359-L363 HydrophobicContact CG-CG 4.23Å; L359-L363 VanDerWaalsContact O-CG 3.3Å; L359-L363 WeakPolarHBondContact O-CG 3.49Å; L359-L363 PolarHBondContact O-N 3.28Å; L359-R384 HydrophobicContact CD2-CB 4.09Å; L359-R384 HydrophobicContact CD2-CG 4Å |
| 360 | G | 91.8 | Very high | 90.7 | Very high | 8 Ų | 8 | 32.6 Ų | 32.6 | 8% | 0.082 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -57.4 | -43.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | D357 L362 L363 Q364 | D357-G360 PolarHBondContact O-N 3.04Å; D357-G360 PolarHBondContact OD1-N 3.49Å; G360-L362 VanDerWaalsContact C-N 3.34Å; G360-L362 PolarHBondContact O-N 2.75Å; G360-L363 PolarHBondContact O-N 3.22Å; G360-Q364 WeakPolarHBondContact O-CG 3.42Å; G360-Q364 PolarHBondContact O-N 3.4Å; G360-Q364 VanDerWaalsContact O-N 3.12Å |
| 361 | M | 91.7 | Very high | 90.8 | Very high | 44 Ų | 44 | 32.6 Ų | 32.6 | 22% | 0.217 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.2 | -38.7 | 176.6 | -63.9 | -68.3 | -84.8 | 0 | 0 | 112.1 | F307 D357 L359 E365 P406 L410 | F307-M361 HydrophobicContact CD1-CB 4.45Å; F307-M361 HydrophobicContact CE1-CB 4.04Å; D357-M361 WeakPolarHBondContact O-CG 3.42Å; D357-M361 PolarHBondContact O-N 3.48Å; L359-M361 VanDerWaalsContact C-N 3.31Å; L359-M361 PolarHBondContact O-N 3.37Å; M361-E365 PolarHBondContact O-N 3.48Å; M361-P406 HydrophobicContact CB-CB 4.46Å; M361-L410 HydrophobicContact CE-CD1 3.94Å |
| 362 | L | 94.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -69.7 | -40.7 | 178.1 | -174.3 | 61.1 | 0 | 0 | 0 | 112.4 | W283 F287 F307 P311 F337 C358 L359 G360 Q364 E365 C366 | W283-L362 HydrophobicContact CD2-CD2 4.07Å; W283-L362 HydrophobicContact CE3-CD2 3.72Å; W283-L362 HydrophobicContact CH2-CD1 3.65Å; W283-L362 HydrophobicContact CH2-CD2 3.88Å; W283-L362 HydrophobicContact CH2-CG 4.08Å; W283-L362 HydrophobicContact CZ2-CD1 4.45Å; W283-L362 HydrophobicContact CZ2-CD2 4.16Å; W283-L362 HydrophobicContact CZ2-CG 4.45Å; W283-L362 HydrophobicContact CZ3-CD1 3.76Å; W283-L362 HydrophobicContact CZ3-CD2 3.64Å; W283-L362 HydrophobicContact CZ3-CG 4.22Å; F287-L362 HydrophobicContact CE2-CD2 3.79Å; F287-L362 HydrophobicContact CZ-CD2 4.24Å; F307-L362 HydrophobicContact CD1-CB 4.28Å; F307-L362 HydrophobicContact CD1-CD1 4.21Å; F307-L362 HydrophobicContact CE1-CB 3.88Å; F307-L362 HydrophobicContact CE1-CD1 4.48Å; P311-L362 HydrophobicContact CG-CD1 4.17Å; F337-L362 HydrophobicContact CE1-CD2 3.97Å; F337-L362 HydrophobicContact CE1-CG 4.35Å; F337-L362 HydrophobicContact CZ-CD2 4.24Å; F337-L362 HydrophobicContact CZ-CG 4.27Å; C358-L362 WeakPolarHBondContact O-CB 3.44Å; C358-L362 PolarHBondContact O-N 3.05Å; C358-L362 VanDerWaalsContact O-N 3.14Å; L359-L362 PolarHBondContact O-N 3.04Å; L359-L362 VanDerWaalsContact O-N 3.11Å; G360-L362 VanDerWaalsContact C-N 3.34Å; G360-L362 PolarHBondContact O-N 2.75Å; L362-Q364 VanDerWaalsContact C-N 3.32Å; L362-Q364 PolarHBondContact O-N 2.64Å; L362-E365 PolarHBondContact O-N 3.18Å; L362-C366 WeakPolarHBondContact O-CB 3.41Å; L362-C366 PolarHBondContact O-N 2.89Å; L362-C366 PolarHBondContact O-SG 3.39Å |
| 363 | L | 95.6 | Very high | 91.4 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.5 | -42.8 | 176.5 | -70.8 | 175.2 | 0 | 0 | 0 | 111.1 | F337 L359 G360 C366 N367 L372 T377 L380 | F337-L363 HydrophobicContact CD1-CD2 3.8Å; F337-L363 HydrophobicContact CD2-CD2 4.03Å; F337-L363 HydrophobicContact CE1-CD2 3.89Å; F337-L363 HydrophobicContact CE2-CD2 4.12Å; F337-L363 HydrophobicContact CG-CD2 3.87Å; F337-L363 HydrophobicContact CZ-CD2 4.05Å; L359-L363 HydrophobicContact CD1-CG 4.29Å; L359-L363 HydrophobicContact CG-CD1 4.06Å; L359-L363 HydrophobicContact CG-CG 4.23Å; L359-L363 VanDerWaalsContact O-CG 3.3Å; L359-L363 WeakPolarHBondContact O-CG 3.49Å; L359-L363 PolarHBondContact O-N 3.28Å; G360-L363 PolarHBondContact O-N 3.22Å; L363-C366 PolarHBondContact O-N 3.11Å; L363-N367 WeakPolarHBondContact O-CB 3.3Å; L363-N367 PolarHBondContact O-N 2.91Å; L363-L372 HydrophobicContact CD2-CD1 3.66Å; L363-T377 HydrophobicContact CB-CG2 4.27Å; L363-L380 HydrophobicContact CD1-CB 3.86Å; L363-L380 HydrophobicContact CD2-CB 4.26Å; L363-L380 HydrophobicContact CD2-CD1 3.79Å |
| 364 | Q | 94.1 | Very high | 91.8 | Very high | 121 Ų | 121 | 32.8 Ų | 32.8 | 57% | 0.565 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -60.7 | -45.9 | 176.7 | -72.8 | 175 | 6.8 | 0 | 0 | 112.5 | G360 L362 N367 K368 | G360-Q364 WeakPolarHBondContact O-CG 3.42Å; G360-Q364 PolarHBondContact O-N 3.4Å; G360-Q364 VanDerWaalsContact O-N 3.12Å; L362-Q364 VanDerWaalsContact C-N 3.32Å; L362-Q364 PolarHBondContact O-N 2.64Å; Q364-N367 PolarHBondContact O-N 3.09Å; Q364-K368 WeakPolarHBondContact O-CB 3.43Å; Q364-K368 PolarHBondContact O-N 3.45Å |
| 365 | E | 93.9 | Very high | 92.2 | Very high | 27 Ų | 27 | 36.4 Ų | 36.4 | 13% | 0.126 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -67.8 | -36.3 | 177.2 | -73.9 | -60.9 | 137.5 | 0 | 0 | 112.4 | M361 L362 K368 L369 L410 | M361-E365 PolarHBondContact O-N 3.48Å; L362-E365 PolarHBondContact O-N 3.18Å; E365-K368 PolarHBondContact O-N 2.91Å; E365-K368 IonicContact OE1-NZ 2.79Å; E365-K368 PolarHBondContact OE1-NZ 2.79Å; E365-K368 IonicContact OE2-NZ 3.45Å; E365-K368 PolarHBondContact OE2-NZ 2.89Å; E365-L369 WeakPolarHBondContact O-CG 3.49Å; E365-L369 PolarHBondContact O-N 2.72Å; E365-L410 HydrophobicContact CG-CD1 3.82Å; E365-L410 HydrophobicContact CG-CD2 3.69Å; E365-L410 HydrophobicContact CG-CG 4.43Å |
| 366 | C | 95.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.2 | -40.7 | 174.7 | -69.4 | 0 | 0 | 0 | 0 | 112.1 | F337 L362 L363 L369 G370 L371 L372 | F337-C366 HydrophobicContact CE2-CB 4.45Å; L362-C366 WeakPolarHBondContact O-CB 3.41Å; L362-C366 PolarHBondContact O-N 2.89Å; L362-C366 PolarHBondContact O-SG 3.39Å; L363-C366 PolarHBondContact O-N 3.11Å; C366-L369 PolarHBondContact O-N 3.08Å; C366-G370 PolarHBondContact O-N 3.39Å; C366-L371 HydrophobicContact CB-CB 4.16Å; C366-L371 HydrophobicContact CB-CD1 4.5Å; C366-L371 WeakPolarHBondContact O-CB 3.45Å; C366-L371 PolarHBondContact O-N 3.36Å; C366-L372 HydrophobicContact CB-CD1 3.96Å; C366-L372 HydrophobicContact CB-CG 4.25Å |
| 367 | N | 95.6 | Very high | 93.2 | Very high | 41 Ų | 41 | 36.5 Ų | 36.5 | 22% | 0.219 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.2 | -50.5 | 173.3 | 180 | -40.7 | 0 | 0 | 0 | 110.8 | L363 Q364 L369 G370 D374 T377 | L363-N367 WeakPolarHBondContact O-CB 3.3Å; L363-N367 PolarHBondContact O-N 2.91Å; Q364-N367 PolarHBondContact O-N 3.09Å; N367-L369 PolarHBondContact O-N 2.96Å; N367-G370 WeakPolarHBondContact O-CA 3.5Å; N367-G370 PolarHBondContact O-N 3.31Å; N367-D374 PolarHBondContact ND2-OD1 3.27Å; N367-D374 PolarHBondContact OD1-OD1 3.32Å; N367-T377 HydrophobicContact CB-CG2 4.27Å; N367-T377 PolarHBondContact ND2-OG1 3.16Å; N367-T377 VanDerWaalsContact ND2-OG1 3.07Å |
| 368 | K | 94.4 | Very high | 93.5 | Very high | 128 Ų | 128 | 41.4 Ų | 41.4 | 56% | 0.557 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -54.6 | -30.6 | 178.4 | 174.7 | 177.6 | 154.2 | -147.1 | 0 | 113.7 | Q364 E365 | Q364-K368 WeakPolarHBondContact O-CB 3.43Å; Q364-K368 PolarHBondContact O-N 3.45Å; E365-K368 PolarHBondContact O-N 2.91Å; E365-K368 IonicContact OE1-NZ 2.79Å; E365-K368 PolarHBondContact OE1-NZ 2.79Å; E365-K368 IonicContact OE2-NZ 3.45Å; E365-K368 PolarHBondContact OE2-NZ 2.89Å |
| 369 | L | 93.2 | Very high | 93.7 | Very high | 34 Ų | 34 | 43 Ų | 43 | 18% | 0.178 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 2.6 | 176.6 | -62.5 | 179.3 | 0 | 0 | 0 | 114.2 | P311 L315 E365 C366 N367 L371 | P311-L369 HydrophobicContact CB-CD1 3.5Å; P311-L369 VanDerWaalsContact CB-CD1 3.5Å; L315-L369 WeakPolarHBondContact CD1-O 3.31Å; L315-L369 HydrophobicContact CD2-CD2 4.29Å; E365-L369 WeakPolarHBondContact O-CG 3.49Å; E365-L369 PolarHBondContact O-N 2.72Å; C366-L369 PolarHBondContact O-N 3.08Å; N367-L369 PolarHBondContact O-N 2.96Å; L369-L371 VanDerWaalsContact C-N 3.29Å; L369-L371 HydrophobicContact CB-CD1 4.34Å; L369-L371 HydrophobicContact CB-CG 4.3Å; L369-L371 PolarHBondContact O-N 2.75Å |
| 370 | G | 93 | Very high | 93.7 | Very high | 35 Ų | 35 | 43.1 Ų | 43.1 | 36% | 0.361 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.2 | 28.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | K318 C366 N367 | K318-G370 PolarHBondContact NZ-O 3.12Å; C366-G370 PolarHBondContact O-N 3.39Å; N367-G370 WeakPolarHBondContact O-CA 3.5Å; N367-G370 PolarHBondContact O-N 3.31Å |
| 371 | L | 93.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -85.9 | -20.7 | 172.1 | -65.9 | 170.8 | 0 | 0 | 0 | 112.1 | L314 K318 F329 C366 L369 | L314-L371 HydrophobicContact CB-CD1 3.75Å; L314-L371 HydrophobicContact CB-CD2 4.19Å; L314-L371 HydrophobicContact CD1-CD1 4.45Å; K318-L371 HydrophobicContact CB-CD2 4.5Å; K318-L371 HydrophobicContact CD-CD2 4.33Å; F329-L371 HydrophobicContact CE1-CD2 4.17Å; C366-L371 HydrophobicContact CB-CB 4.16Å; C366-L371 HydrophobicContact CB-CD1 4.5Å; C366-L371 WeakPolarHBondContact O-CB 3.45Å; C366-L371 PolarHBondContact O-N 3.36Å; L369-L371 VanDerWaalsContact C-N 3.29Å; L369-L371 HydrophobicContact CB-CD1 4.34Å; L369-L371 HydrophobicContact CB-CG 4.3Å; L369-L371 PolarHBondContact O-N 2.75Å |
| 372 | L | 94.1 | Very high | 93.7 | Very high | 8 Ų | 8 | 45.7 Ų | 45.7 | 4% | 0.042 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -132.8 | 150.8 | 174.1 | -69.9 | 173.8 | 0 | 0 | 0 | 109.6 | V333 N334 F337 L363 C366 N376 L380 | V333-L372 HydrophobicContact CG1-CD2 4.02Å; V333-L372 HydrophobicContact CG1-CG 4.3Å; N334-L372 HydrophobicContact CB-CD2 4.06Å; F337-L372 HydrophobicContact CD2-CD1 3.88Å; F337-L372 HydrophobicContact CD2-CD2 4.17Å; F337-L372 HydrophobicContact CD2-CG 4.43Å; F337-L372 HydrophobicContact CE2-CD1 3.75Å; F337-L372 HydrophobicContact CE2-CG 4.33Å; L363-L372 HydrophobicContact CD2-CD1 3.66Å; C366-L372 HydrophobicContact CB-CD1 3.96Å; C366-L372 HydrophobicContact CB-CG 4.25Å; L372-N376 HydrophobicContact CD2-CB 4.38Å; L372-L380 HydrophobicContact CD1-CD1 4.32Å; L372-L380 HydrophobicContact CD2-CD1 4.5Å |
| 373 | S | 92.7 | Very high | 93.5 | Very high | 49 Ų | 49 | 50.4 Ų | 50.4 | 34% | 0.343 | 28% | 0.283 | S | S | . | . | trans | -79.8 | 163.1 | 166.9 | 65.8 | 0 | 0 | 0 | 0 | 111.2 | S375 N376 T377 | S373-S375 VanDerWaalsContact C-N 3.32Å; S373-S375 PolarHBondContact O-N 2.82Å; S373-S375 PolarHBondContact OG-OG 2.95Å; S373-N376 PolarHBondContact O-N 2.98Å; S373-N376 WeakPolarHBondContact OG-CB 3.32Å; S373-N376 VanDerWaalsContact OG-CG 3.22Å; S373-N376 PolarHBondContact OG-N 3.36Å; S373-N376 VanDerWaalsContact OG-N 3.16Å; S373-N376 PolarHBondContact OG-ND2 3.02Å; S373-T377 WeakPolarHBondContact O-CB 3.42Å; S373-T377 PolarHBondContact O-N 3.07Å; S373-T377 PolarHBondContact O-OG1 3.25Å | ||
| 374 | D | 93.3 | Very high | 93.1 | Very high | 104 Ų | 104 | 50.5 Ų | 50.5 | 56% | 0.556 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -57.6 | -45.6 | 173.2 | -64.1 | -37.1 | 0 | 0 | 0 | 111.5 | N367 N376 T377 E378 | N367-D374 PolarHBondContact ND2-OD1 3.27Å; N367-D374 PolarHBondContact OD1-OD1 3.32Å; D374-N376 PolarHBondContact O-N 3.24Å; D374-T377 WeakPolarHBondContact O-CB 3.39Å; D374-T377 PolarHBondContact O-N 2.87Å; D374-T377 VanDerWaalsContact O-N 3.16Å; D374-E378 WeakPolarHBondContact O-CG 3.47Å; D374-E378 PolarHBondContact O-N 3.04Å |
| 375 | S | 92.9 | Very high | 92.7 | Very high | 80 Ų | 80 | 48.5 Ų | 48.5 | 56% | 0.559 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -59.2 | -43 | 178.3 | 61.8 | 0 | 0 | 0 | 0 | 113.2 | S373 G379 | S373-S375 VanDerWaalsContact C-N 3.32Å; S373-S375 PolarHBondContact O-N 2.82Å; S373-S375 PolarHBondContact OG-OG 2.95Å; S375-G379 PolarHBondContact O-N 3.34Å |
| 376 | N | 92.5 | Very high | 92.3 | Very high | 39 Ų | 39 | 53.4 Ų | 53.4 | 21% | 0.209 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -68.3 | -39.7 | 178.4 | -72.5 | -9.9 | 0 | 0 | 0 | 110.6 | N334 L372 S373 D374 G379 L380 | N334-N376 PolarHBondContact ND2-ND2 3.49Å; L372-N376 HydrophobicContact CD2-CB 4.38Å; S373-N376 PolarHBondContact O-N 2.98Å; S373-N376 WeakPolarHBondContact OG-CB 3.32Å; S373-N376 VanDerWaalsContact OG-CG 3.22Å; S373-N376 PolarHBondContact OG-N 3.36Å; S373-N376 VanDerWaalsContact OG-N 3.16Å; S373-N376 PolarHBondContact OG-ND2 3.02Å; D374-N376 PolarHBondContact O-N 3.24Å; N376-G379 PolarHBondContact O-N 3.26Å; N376-L380 WeakPolarHBondContact O-CB 3.42Å; N376-L380 WeakPolarHBondContact O-CD1 3.28Å; N376-L380 WeakPolarHBondContact O-CG 3.41Å; N376-L380 PolarHBondContact O-N 3.24Å |
| 377 | T | 94 | Very high | 91.5 | Very high | 14 Ų | 14 | 56.7 Ų | 56.7 | 9% | 0.086 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.8 | -47.5 | 178.6 | -53.7 | 0 | 0 | 0 | 0 | 111.4 | L363 N367 S373 D374 L380 T381 | L363-T377 HydrophobicContact CB-CG2 4.27Å; N367-T377 HydrophobicContact CB-CG2 4.27Å; N367-T377 PolarHBondContact ND2-OG1 3.16Å; N367-T377 VanDerWaalsContact ND2-OG1 3.07Å; S373-T377 WeakPolarHBondContact O-CB 3.42Å; S373-T377 PolarHBondContact O-N 3.07Å; S373-T377 PolarHBondContact O-OG1 3.25Å; D374-T377 WeakPolarHBondContact O-CB 3.39Å; D374-T377 PolarHBondContact O-N 2.87Å; D374-T377 VanDerWaalsContact O-N 3.16Å; T377-L380 PolarHBondContact O-N 2.96Å; T377-T381 WeakPolarHBondContact O-CB 3.36Å; T377-T381 PolarHBondContact O-N 2.78Å; T377-T381 PolarHBondContact O-OG1 3.37Å |
| 378 | E | 93.9 | Very high | 90.5 | Very high | 135 Ų | 135 | 58 Ų | 58 | 63% | 0.631 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -62.5 | -44.5 | 176.8 | -72.5 | 177.3 | 179.9 | 0 | 0 | 111.8 | D374 T381 S382 | D374-E378 WeakPolarHBondContact O-CG 3.47Å; D374-E378 PolarHBondContact O-N 3.04Å; E378-T381 PolarHBondContact O-N 3.46Å; E378-S382 WeakPolarHBondContact O-CB 3.29Å; E378-S382 PolarHBondContact O-N 2.91Å; E378-S382 PolarHBondContact O-OG 3.43Å |
| 379 | G | 94.2 | Very high | 89.2 | Confident | 33 Ų | 33 | 59.5 Ų | 59.5 | 34% | 0.34 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.5 | -42.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | S375 N376 K383 | S375-G379 PolarHBondContact O-N 3.34Å; N376-G379 PolarHBondContact O-N 3.26Å; G379-K383 WeakPolarHBondContact O-CG 3.35Å; G379-K383 PolarHBondContact O-N 3.24Å |
| 380 | L | 94.1 | Very high | 87.7 | Confident | 4 Ų | 4 | 66.7 Ų | 66.7 | 2% | 0.021 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -69.3 | -39.1 | 177.1 | -70.3 | 167.2 | 0 | 0 | 0 | 112 | F337 Q338 L341 L363 L372 N376 T377 K383 R384 | F337-L380 HydrophobicContact CB-CD1 3.66Å; F337-L380 HydrophobicContact CB-CD2 4Å; F337-L380 HydrophobicContact CB-CG 4.48Å; F337-L380 HydrophobicContact CD2-CD1 4.41Å; F337-L380 HydrophobicContact CG-CD1 4.22Å; Q338-L380 HydrophobicContact CG-CD2 3.84Å; L341-L380 HydrophobicContact CD1-CD2 3.56Å; L363-L380 HydrophobicContact CD1-CB 3.86Å; L363-L380 HydrophobicContact CD2-CB 4.26Å; L363-L380 HydrophobicContact CD2-CD1 3.79Å; L372-L380 HydrophobicContact CD1-CD1 4.32Å; L372-L380 HydrophobicContact CD2-CD1 4.5Å; N376-L380 WeakPolarHBondContact O-CB 3.42Å; N376-L380 WeakPolarHBondContact O-CD1 3.28Å; N376-L380 WeakPolarHBondContact O-CG 3.41Å; N376-L380 PolarHBondContact O-N 3.24Å; T377-L380 PolarHBondContact O-N 2.96Å; L380-K383 PolarHBondContact O-N 2.87Å; L380-R384 PolarHBondContact O-N 2.98Å |
| 381 | T | 92.8 | Very high | 86.2 | Confident | 42 Ų | 42 | 66.1 Ų | 66.1 | 26% | 0.258 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -65.5 | -44.6 | 178 | -56.9 | 0 | 0 | 0 | 0 | 111.1 | T377 E378 K383 R384 N385 | T377-T381 WeakPolarHBondContact O-CB 3.36Å; T377-T381 PolarHBondContact O-N 2.78Å; T377-T381 PolarHBondContact O-OG1 3.37Å; E378-T381 PolarHBondContact O-N 3.46Å; T381-K383 PolarHBondContact O-N 2.87Å; T381-R384 PolarHBondContact O-N 3.48Å; T381-N385 VanDerWaalsContact O-CG 3.28Å; T381-N385 PolarHBondContact O-N 3.26Å; T381-N385 PolarHBondContact O-ND2 3.45Å |
| 382 | S | 91.2 | Very high | 84.5 | Confident | 64 Ų | 64 | 70.3 Ų | 70.3 | 45% | 0.448 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -58.8 | -46.4 | 176.3 | -64 | 0 | 0 | 0 | 0 | 111.8 | E378 R384 N385 E386 | E378-S382 WeakPolarHBondContact O-CB 3.29Å; E378-S382 PolarHBondContact O-N 2.91Å; E378-S382 PolarHBondContact O-OG 3.43Å; S382-R384 PolarHBondContact O-N 3.48Å; S382-N385 WeakPolarHBondContact O-CB 3.47Å; S382-N385 PolarHBondContact O-N 3.06Å; S382-N385 VanDerWaalsContact O-N 3.15Å; S382-E386 PolarHBondContact O-N 3.34Å |
| 383 | K | 89.7 | Confident | 82.8 | Confident | 100 Ų | 100 | 81.6 Ų | 81.6 | 44% | 0.435 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -59.8 | -43.6 | 175.6 | -73.7 | 175.8 | -179.3 | 177.2 | 0 | 112.7 | L341 G379 L380 T381 N385 E386 D387 | L341-K383 HydrophobicContact CD1-CB 4.04Å; L341-K383 HydrophobicContact CD1-CD 4.29Å; G379-K383 WeakPolarHBondContact O-CG 3.35Å; G379-K383 PolarHBondContact O-N 3.24Å; L380-K383 PolarHBondContact O-N 2.87Å; T381-K383 PolarHBondContact O-N 2.87Å; K383-N385 VanDerWaalsContact C-N 3.3Å; K383-N385 PolarHBondContact O-N 3.43Å; K383-E386 PolarHBondContact O-N 2.95Å; K383-D387 PolarHBondContact O-N 3.1Å; K383-D387 VanDerWaalsContact O-N 3.09Å |
| 384 | R | 87.8 | Confident | 81.1 | Confident | 3 Ų | 3 | 82.3 Ų | 82.3 | 1% | 0.011 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -63.2 | -38.7 | 176.4 | -179.9 | 56.1 | -177.3 | 143.3 | -3.7 | 111.6 | L341 D348 D351 L359 L380 T381 S382 D387 R388 | L341-R384 HydrophobicContact CD2-CB 3.89Å; D348-R384 IonicContact OD1-CZ 2.97Å; D348-R384 IonicContact OD1-NH1 3.9Å; D348-R384 PolarHBondContact OD1-NH1 3.33Å; D348-R384 IonicContact OD1-NH2 2.65Å; D348-R384 PolarHBondContact OD1-NH2 3.26Å; D351-R384 IonicContact OD2-CZ 3.45Å; D351-R384 IonicContact OD2-NE 2.71Å; D351-R384 IonicContact OD2-NH2 3.33Å; D351-R384 PolarHBondContact OD2-NH2 2.84Å; L359-R384 HydrophobicContact CD2-CB 4.09Å; L359-R384 HydrophobicContact CD2-CG 4Å; L380-R384 PolarHBondContact O-N 2.98Å; T381-R384 PolarHBondContact O-N 3.48Å; S382-R384 PolarHBondContact O-N 3.48Å; R384-D387 PolarHBondContact O-N 2.98Å; R384-R388 HydrophobicContact CG-CG 4.29Å; R384-R388 VanDerWaalsContact NH1-CG 3.32Å; R384-R388 WeakPolarHBondContact O-CB 3.32Å; R384-R388 VanDerWaalsContact O-CG 3.25Å; R384-R388 WeakPolarHBondContact O-CG 3.41Å; R384-R388 PolarHBondContact O-N 3.3Å |
| 385 | N | 85.8 | Confident | 79.1 | Confident | 79 Ų | 79 | 85.4 Ų | 85.4 | 42% | 0.422 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63.8 | -42 | 178.6 | -72 | -23.1 | 0 | 0 | 0 | 111.8 | T381 S382 K383 R388 E389 | T381-N385 VanDerWaalsContact O-CG 3.28Å; T381-N385 PolarHBondContact O-N 3.26Å; T381-N385 PolarHBondContact O-ND2 3.45Å; S382-N385 WeakPolarHBondContact O-CB 3.47Å; S382-N385 PolarHBondContact O-N 3.06Å; S382-N385 VanDerWaalsContact O-N 3.15Å; K383-N385 VanDerWaalsContact C-N 3.3Å; K383-N385 PolarHBondContact O-N 3.43Å; N385-R388 PolarHBondContact O-N 2.93Å; N385-E389 PolarHBondContact O-N 2.67Å |
| 386 | E | 84.8 | Confident | 77 | Confident | 129 Ų | 129 | 87.3 Ų | 87.3 | 60% | 0.603 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -59 | -48.1 | 173.2 | -69.2 | 171.5 | -171.2 | 0 | 0 | 111.2 | S382 K383 R388 E389 | S382-E386 PolarHBondContact O-N 3.34Å; K383-E386 PolarHBondContact O-N 2.95Å; E386-R388 PolarHBondContact O-N 3.19Å; E386-E389 PolarHBondContact O-N 3.07Å |
| 387 | D | 78.7 | Confident | 74.9 | Confident | 69 Ų | 69 | 89.4 Ų | 89.4 | 37% | 0.369 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62.6 | -29.8 | 178.1 | -74.1 | -17.3 | 0 | 0 | 0 | 113 | K383 R384 | K383-D387 PolarHBondContact O-N 3.1Å; K383-D387 VanDerWaalsContact O-N 3.09Å; R384-D387 PolarHBondContact O-N 2.98Å |
| 388 | R | 75.1 | Confident | 72.5 | Confident | 68 Ų | 68 | 97 Ų | 97 | 26% | 0.257 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -79.7 | -14.9 | -178.3 | -77 | -179.6 | 78.9 | -164.4 | 2.7 | 114.4 | D357 R384 N385 E386 F390 A391 | D357-R388 VanDerWaalsContact CG-NH1 3.29Å; D357-R388 IonicContact OD2-NH1 3.85Å; D357-R388 PolarHBondContact OD2-NH1 3.39Å; R384-R388 HydrophobicContact CG-CG 4.29Å; R384-R388 VanDerWaalsContact NH1-CG 3.32Å; R384-R388 WeakPolarHBondContact O-CB 3.32Å; R384-R388 VanDerWaalsContact O-CG 3.25Å; R384-R388 WeakPolarHBondContact O-CG 3.41Å; R384-R388 PolarHBondContact O-N 3.3Å; N385-R388 PolarHBondContact O-N 2.93Å; E386-R388 PolarHBondContact O-N 3.19Å; R388-F390 PolarHBondContact O-N 2.98Å; R388-F390 VanDerWaalsContact O-N 3.07Å; R388-A391 WeakPolarHBondContact O-CB 3.38Å; R388-A391 PolarHBondContact O-N 3.45Å |
| 389 | E | 67 | Low | 70 | Confident | 160 Ų | 160 | 94.9 Ų | 94.9 | 75% | 0.748 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -28.3 | 178.4 | -76.1 | -164 | 147.8 | 0 | 0 | 112.4 | N385 E386 | N385-E389 PolarHBondContact O-N 2.67Å; E386-E389 PolarHBondContact O-N 3.07Å |
| 390 | F | 61.7 | Low | 67.8 | Low | 185 Ų | 185 | 94.7 Ų | 94.7 | 81% | 0.811 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | 0.3 | 179.8 | -55.1 | -78.6 | 0 | 0 | 0 | 114.2 | R388 | R388-F390 PolarHBondContact O-N 2.98Å; R388-F390 VanDerWaalsContact O-N 3.07Å |
| 391 | A | 61.4 | Low | 65.5 | Low | 24 Ų | 24 | 101.5 Ų | 101.5 | 20% | 0.198 | 52% | 0.517 | C | S | . | . | S | Bend | trans | -83.1 | 148.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | R388 R393 | R388-A391 WeakPolarHBondContact O-CB 3.38Å; R388-A391 PolarHBondContact O-N 3.45Å; A391-R393 PolarHBondContact O-N 2.75Å |
| 392 | P | 56.8 | Low | 63.5 | Low | 87 Ų | 87 | 105.2 Ų | 105.2 | 57% | 0.565 | 53% | 0.534 | S | S | * | . | P | Polyproline II helix | trans | -59.8 | 125.4 | 175.3 | 22 | -30.2 | 0 | 0 | 0 | 110.8 | ||
| 393 | R | 58.1 | Low | 62 | Low | 246 Ų | 246 | 105.7 Ų | 105.7 | 93% | 0.928 | 53% | 0.529 | S | S | * | . | P | Polyproline II helix | trans | -62.4 | 136.7 | -177.6 | -68.2 | -176.6 | 178.4 | -179.2 | -0.8 | 111.1 | A391 | A391-R393 PolarHBondContact O-N 2.75Š|
| 394 | L | 57.5 | Low | 60.7 | Low | 64 Ų | 64 | 101.2 Ų | 101.2 | 34% | 0.335 | 51% | 0.51 | S | S | . | . | P | Polyproline II helix | trans | -54.4 | 140.2 | 175.3 | -65.8 | 169.8 | 0 | 0 | 0 | 110.5 | D351 | D351-L394 WeakPolarHBondContact O-CD2 3.27Š|
| 395 | K | 51.9 | Low | 60.2 | Low | 169 Ų | 169 | 102.7 Ų | 102.7 | 74% | 0.735 | 52% | 0.519 | S | S | * | . | P | Polyproline II helix | trans | -58.5 | 143 | 177.9 | -70.4 | -179.4 | 179.9 | 175.9 | 0 | 109.5 | ||
| 396 | T | 47.5 | Very low | 60.1 | Low | 120 Ų | 120 | 98.9 Ų | 98.9 | 74% | 0.736 | 50% | 0.498 | S | S | * | . | P | Polyproline II helix | trans | -48.7 | 150.7 | -175 | -13.2 | 0 | 0 | 0 | 0 | 113.4 | E398 | T396-E398 PolarHBondContact O-N 3.05Š|
| 397 | A | 49.3 | Very low | 60.1 | Low | 82 Ų | 82 | 93.3 Ų | 93.3 | 68% | 0.678 | 48% | 0.476 | S | S | * | . | G | 310 helix | trans | -55.4 | -9 | -170.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | N399 A400 | A397-N399 VanDerWaalsContact C-N 3.28Å; A397-N399 PolarHBondContact O-N 3.21Å; A397-A400 PolarHBondContact O-N 2.91Å |
| 398 | E | 44.3 | Very low | 60.5 | Low | 175 Ų | 175 | 92.5 Ų | 92.5 | 82% | 0.818 | 47% | 0.471 | S | S | * | . | G | 310 helix | trans | -68.2 | -23.1 | -177.7 | -67.8 | -179.9 | 162.7 | 0 | 0 | 113.3 | T396 | T396-E398 PolarHBondContact O-N 3.05Š|
| 399 | N | 41 | Very low | 61.2 | Low | 89 Ų | 89 | 89.3 Ų | 89.3 | 48% | 0.476 | 46% | 0.459 | S | S | . | . | G | 310 helix | trans | -102.3 | -0.6 | 178.1 | -70.9 | -18.2 | 0 | 0 | 0 | 114.7 | A397 N401 I402 | A397-N399 VanDerWaalsContact C-N 3.28Å; A397-N399 PolarHBondContact O-N 3.21Å; N399-N401 PolarHBondContact O-N 3.48Å; N399-I402 PolarHBondContact O-N 3.43Å |
| 400 | A | 46.9 | Very low | 62.2 | Low | 30 Ų | 30 | 82.8 Ų | 82.8 | 25% | 0.248 | 43% | 0.429 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -18.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | A397 N405 | A397-A400 PolarHBondContact O-N 2.91Å; A400-N405 PolarHBondContact O-ND2 3.04Å |
| 401 | N | 45.8 | Very low | 63.5 | Low | 147 Ų | 147 | 82.7 Ų | 82.7 | 79% | 0.786 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | -3 | -179.9 | -72.2 | -20.4 | 0 | 0 | 0 | 114.1 | N399 | N399-N401 PolarHBondContact O-N 3.48Š|
| 402 | I | 51.6 | Low | 64.7 | Low | 120 Ų | 120 | 81.7 Ų | 81.7 | 62% | 0.615 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.3 | -29 | -172.8 | -56.3 | 174 | 0 | 0 | 0 | 112 | N399 | N399-I402 PolarHBondContact O-N 3.43Š|
| 403 | Q | 58.9 | Low | 66.1 | Low | 73 Ų | 73 | 79.7 Ų | 79.7 | 34% | 0.341 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -94 | 141 | 176.6 | -73.3 | -171.4 | -27.9 | 0 | 0 | 111.9 | N405 | Q403-N405 PolarHBondContact O-N 2.9Å; Q403-N405 VanDerWaalsContact O-N 3.11Å |
| 404 | P | 62.4 | Low | 67.5 | Low | 6 Ų | 6 | 71.1 Ų | 71.1 | 4% | 0.039 | 37% | 0.374 | C | S | . | . | trans | -66.1 | 114.1 | 176 | 30 | -33.7 | 0 | 0 | 0 | 109.2 | E299 L300 | E299-P404 HydrophobicContact CB-CG 4.28Å; E299-P404 HydrophobicContact CG-CG 3.51Å; E299-P404 VanDerWaalsContact OE1-CG 3.25Å; E299-P404 WeakPolarHBondContact OE1-CG 3.45Å; E299-P404 WeakPolarHBondContact OE2-CG 3.48Å; L300-P404 HydrophobicContact CD2-CB 3.41Å; L300-P404 VanDerWaalsContact CD2-CB 3.41Å; L300-P404 HydrophobicContact CD2-CG 4.47Å; L300-P404 HydrophobicContact CG-CB 4Å | ||
| 405 | N | 77.9 | Confident | 68.9 | Low | 34 Ų | 34 | 71 Ų | 71 | 18% | 0.182 | 38% | 0.376 | C | S | . | . | trans | -109.8 | 150.2 | 175.6 | 71.9 | 48.1 | 0 | 0 | 0 | 110.4 | A400 Q403 G407 L408 I409 | A400-N405 PolarHBondContact O-ND2 3.04Å; Q403-N405 PolarHBondContact O-N 2.9Å; Q403-N405 VanDerWaalsContact O-N 3.11Å; N405-G407 PolarHBondContact O-N 3.39Å; N405-G407 VanDerWaalsContact O-N 3.14Å; N405-G407 VanDerWaalsContact OD1-CA 3.3Å; N405-G407 WeakPolarHBondContact OD1-CA 3.48Å; N405-G407 PolarHBondContact OD1-N 2.98Å; N405-L408 PolarHBondContact O-N 3.39Å; N405-L408 WeakPolarHBondContact OD1-CG 3.2Å; N405-L408 PolarHBondContact OD1-N 3.47Å; N405-I409 PolarHBondContact O-N 3.42Å | ||
| 406 | P | 83.5 | Confident | 70.5 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -49.8 | -33.1 | 173.1 | -31.2 | 34.7 | 0 | 0 | 0 | 114.4 | T303 F307 C354 C356 M361 L408 I409 L410 | T303-P406 HydrophobicContact CG2-CB 4.38Å; T303-P406 HydrophobicContact CG2-CG 4.12Å; F307-P406 HydrophobicContact CD1-CB 4.22Å; F307-P406 HydrophobicContact CD2-CB 3.89Å; F307-P406 HydrophobicContact CD2-CG 3.99Å; F307-P406 HydrophobicContact CE1-CB 4.04Å; F307-P406 HydrophobicContact CE1-CG 4.3Å; F307-P406 HydrophobicContact CE2-CB 3.74Å; F307-P406 HydrophobicContact CE2-CG 3.4Å; F307-P406 VanDerWaalsContact CE2-CG 3.4Å; F307-P406 HydrophobicContact CG-CB 4.15Å; F307-P406 HydrophobicContact CZ-CB 3.82Å; F307-P406 HydrophobicContact CZ-CG 3.58Å; C354-P406 HydrophobicContact CB-CG 4.24Å; C356-P406 WeakPolarHBondContact SG-CD 3.34Å; C356-P406 VanDerWaalsContact SG-CG 3.56Å; M361-P406 HydrophobicContact CB-CB 4.46Å; P406-L408 VanDerWaalsContact C-N 3.33Å; P406-L408 PolarHBondContact O-N 3.16Å; P406-I409 WeakPolarHBondContact O-CG2 3.21Å; P406-I409 PolarHBondContact O-N 3.03Å; P406-L410 WeakPolarHBondContact O-CG 3.48Å; P406-L410 PolarHBondContact O-N 3.46Å; P406-L410 VanDerWaalsContact O-N 3.14Å |
| 407 | G | 84.9 | Confident | 72.4 | Confident | 12 Ų | 12 | 59.1 Ų | 59.1 | 12% | 0.124 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.2 | -36.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | N405 R411 | N405-G407 PolarHBondContact O-N 3.39Å; N405-G407 VanDerWaalsContact O-N 3.14Å; N405-G407 VanDerWaalsContact OD1-CA 3.3Å; N405-G407 WeakPolarHBondContact OD1-CA 3.48Å; N405-G407 PolarHBondContact OD1-N 2.98Å; G407-R411 VanDerWaalsContact O-CG 3.29Å; G407-R411 WeakPolarHBondContact O-CG 3.42Å; G407-R411 PolarHBondContact O-N 2.92Å |
| 408 | L | 86.7 | Confident | 74.1 | Confident | 52 Ų | 52 | 59.5 Ų | 59.5 | 27% | 0.272 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -70 | -41 | 177.3 | -69.5 | 173.2 | 0 | 0 | 0 | 111.3 | N405 P406 R411 A412 L449 | N405-L408 PolarHBondContact O-N 3.39Å; N405-L408 WeakPolarHBondContact OD1-CG 3.2Å; N405-L408 PolarHBondContact OD1-N 3.47Å; P406-L408 VanDerWaalsContact C-N 3.33Å; P406-L408 PolarHBondContact O-N 3.16Å; L408-R411 PolarHBondContact O-N 3.36Å; L408-A412 PolarHBondContact O-N 2.82Å; L408-L449 HydrophobicContact CB-CD1 4.13Å; L408-L449 HydrophobicContact CB-CD2 4.15Å |
| 409 | I | 90.1 | Very high | 75.9 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67.6 | -39.1 | -179.7 | -155.6 | 69.6 | 0 | 0 | 0 | 111.9 | T303 A304 F307 L308 N405 P406 R411 A412 E413 L449 A452 A453 | T303-I409 HydrophobicContact CG2-CB 4.2Å; T303-I409 HydrophobicContact CG2-CG2 3.77Å; A304-I409 HydrophobicContact CB-CD1 3.93Å; A304-I409 HydrophobicContact CB-CG1 3.79Å; F307-I409 HydrophobicContact CB-CG2 4.31Å; L308-I409 HydrophobicContact CD1-CG1 3.96Å; N405-I409 PolarHBondContact O-N 3.42Å; P406-I409 WeakPolarHBondContact O-CG2 3.21Å; P406-I409 PolarHBondContact O-N 3.03Å; I409-R411 VanDerWaalsContact C-N 3.29Å; I409-R411 PolarHBondContact O-N 2.78Å; I409-A412 WeakPolarHBondContact O-CB 3.37Å; I409-A412 PolarHBondContact O-N 2.94Å; I409-A412 VanDerWaalsContact O-N 3.09Å; I409-E413 PolarHBondContact O-N 3.5Å; I409-L449 HydrophobicContact CB-CD1 4.3Å; I409-L449 HydrophobicContact CD1-CD1 3.58Å; I409-L449 HydrophobicContact CD1-CG 4.22Å; I409-L449 WeakPolarHBondContact CD1-O 3.41Å; I409-A452 HydrophobicContact CD1-CB 4.16Å; I409-A453 HydrophobicContact CD1-CB 4Å; I409-A453 HydrophobicContact CG1-CB 4.4Å |
| 410 | L | 88.4 | Confident | 77.7 | Confident | 23 Ų | 23 | 48.6 Ų | 48.6 | 12% | 0.12 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.8 | -33.6 | 177.5 | -67.3 | 178 | 0 | 0 | 0 | 111.7 | F307 L308 M361 E365 P406 P414 | F307-L410 HydrophobicContact CB-CD2 4.12Å; L308-L410 HydrophobicContact CD2-CD2 3.62Å; L308-L410 HydrophobicContact CG-CD2 4.36Å; M361-L410 HydrophobicContact CE-CD1 3.94Å; E365-L410 HydrophobicContact CG-CD1 3.82Å; E365-L410 HydrophobicContact CG-CD2 3.69Å; E365-L410 HydrophobicContact CG-CG 4.43Å; P406-L410 WeakPolarHBondContact O-CG 3.48Å; P406-L410 PolarHBondContact O-N 3.46Å; P406-L410 VanDerWaalsContact O-N 3.14Å; L410-P414 VanDerWaalsContact O-CD 3.26Å; L410-P414 WeakPolarHBondContact O-CD 3.3Å |
| 411 | R | 88.4 | Confident | 79.4 | Confident | 182 Ų | 182 | 53.9 Ų | 53.9 | 69% | 0.687 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -75.2 | -23.3 | 172.6 | -68.9 | 173.9 | -173.6 | 173.1 | 3.5 | 113.2 | G407 L408 I409 P414 T415 | G407-R411 VanDerWaalsContact O-CG 3.29Å; G407-R411 WeakPolarHBondContact O-CG 3.42Å; G407-R411 PolarHBondContact O-N 2.92Å; L408-R411 PolarHBondContact O-N 3.36Å; I409-R411 VanDerWaalsContact C-N 3.29Å; I409-R411 PolarHBondContact O-N 2.78Å; R411-P414 WeakPolarHBondContact O-CD 3.45Å; R411-P414 WeakPolarHBondContact O-CG 3.36Å; R411-T415 PolarHBondContact O-OG1 3.41Å |
| 412 | A | 87.6 | Confident | 80.9 | Confident | 3 Ų | 3 | 50.2 Ų | 50.2 | 3% | 0.025 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -70.9 | -34.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L408 I409 T415 V416 L449 L450 A453 | L408-A412 PolarHBondContact O-N 2.82Å; I409-A412 WeakPolarHBondContact O-CB 3.37Å; I409-A412 PolarHBondContact O-N 2.94Å; I409-A412 VanDerWaalsContact O-N 3.09Å; A412-T415 WeakPolarHBondContact O-CA 3.44Å; A412-T415 WeakPolarHBondContact O-CB 3.48Å; A412-T415 PolarHBondContact O-N 2.98Å; A412-T415 VanDerWaalsContact O-N 3.12Å; A412-V416 WeakPolarHBondContact O-CG2 3.32Å; A412-V416 PolarHBondContact O-N 2.9Å; A412-L449 HydrophobicContact CB-CD2 4.07Å; A412-L449 HydrophobicContact CB-CG 3.86Å; A412-L450 HydrophobicContact CB-CD2 4.22Å; A412-A453 HydrophobicContact CB-CB 3.8Å |
| 413 | E | 85.3 | Confident | 81.9 | Confident | 45 Ų | 45 | 45.2 Ų | 45.2 | 21% | 0.21 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -53.1 | -54.7 | 178.4 | 175.2 | -176.7 | -158.9 | 0 | 0 | 114.4 | L308 I409 T415 V416 T417 T457 | L308-E413 HydrophobicContact CD1-CB 4.49Å; L308-E413 HydrophobicContact CD2-CB 4.22Å; I409-E413 PolarHBondContact O-N 3.5Å; E413-T415 VanDerWaalsContact C-N 3.26Å; E413-T415 PolarHBondContact O-N 3.23Å; E413-V416 PolarHBondContact O-N 3.45Å; E413-T417 PolarHBondContact O-N 2.86Å; E413-T417 PolarHBondContact O-OG1 3.25Å; E413-T417 VanDerWaalsContact O-OG1 3.14Å; E413-T457 HydrophobicContact CG-CG2 4.1Å |
| 414 | P | 88.3 | Confident | 82.5 | Confident | 66 Ų | 66 | 46.6 Ų | 46.6 | 43% | 0.429 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -66.1 | -32.5 | 177.4 | 24.5 | -33.6 | 0 | 0 | 0 | 111.5 | L410 R411 T417 N418 | L410-P414 VanDerWaalsContact O-CD 3.26Å; L410-P414 WeakPolarHBondContact O-CD 3.3Å; R411-P414 WeakPolarHBondContact O-CD 3.45Å; R411-P414 WeakPolarHBondContact O-CG 3.36Å; P414-T417 WeakPolarHBondContact O-CB 3.26Å; P414-T417 PolarHBondContact O-N 2.87Å; P414-T417 VanDerWaalsContact O-N 3.15Å; P414-N418 PolarHBondContact O-N 3.1Å |
| 415 | T | 86.9 | Confident | 82.9 | Confident | 62 Ų | 62 | 49 Ų | 49 | 38% | 0.38 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.3 | -44.4 | 177.2 | -54.3 | 0 | 0 | 0 | 0 | 111.8 | R411 A412 E413 T417 N418 I419 L450 | R411-T415 PolarHBondContact O-OG1 3.41Å; A412-T415 WeakPolarHBondContact O-CA 3.44Å; A412-T415 WeakPolarHBondContact O-CB 3.48Å; A412-T415 PolarHBondContact O-N 2.98Å; A412-T415 VanDerWaalsContact O-N 3.12Å; E413-T415 VanDerWaalsContact C-N 3.26Å; E413-T415 PolarHBondContact O-N 3.23Å; T415-T417 VanDerWaalsContact C-N 3.25Å; T415-T417 PolarHBondContact O-N 3.32Å; T415-N418 PolarHBondContact O-N 3.31Å; T415-N418 VanDerWaalsContact O-N 3.17Å; T415-I419 HydrophobicContact CG2-CD1 3.92Å; T415-I419 HydrophobicContact CG2-CG1 4.43Å; T415-I419 WeakPolarHBondContact O-CG1 3.33Å; T415-I419 PolarHBondContact O-N 2.8Å; T415-L450 HydrophobicContact CG2-CD2 3.81Å |
| 416 | V | 85.5 | Confident | 82.2 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -55.2 | -44.7 | 172 | 170.5 | 0 | 0 | 0 | 0 | 110.5 | A412 E413 N418 I419 L420 L450 A453 A454 K459 F463 | A412-V416 WeakPolarHBondContact O-CG2 3.32Å; A412-V416 PolarHBondContact O-N 2.9Å; E413-V416 PolarHBondContact O-N 3.45Å; V416-N418 VanDerWaalsContact C-N 3.35Å; V416-N418 PolarHBondContact O-N 3.38Å; V416-I419 PolarHBondContact O-N 3.18Å; V416-L420 HydrophobicContact CG1-CD1 4.15Å; V416-L420 HydrophobicContact CG1-CG 4.47Å; V416-L420 WeakPolarHBondContact O-CB 3.22Å; V416-L420 VanDerWaalsContact O-CG 3.25Å; V416-L420 WeakPolarHBondContact O-CG 3.39Å; V416-L420 PolarHBondContact O-N 2.7Å; V416-L450 HydrophobicContact CG2-CB 4.17Å; V416-L450 HydrophobicContact CG2-CD2 3.79Å; V416-L450 WeakPolarHBondContact CG2-O 3.41Å; V416-A453 HydrophobicContact CG2-CB 4.36Å; V416-A454 HydrophobicContact CG1-CB 3.88Å; V416-A454 HydrophobicContact CG2-CB 4.21Å; V416-K459 HydrophobicContact CG1-CB 4.33Å; V416-K459 HydrophobicContact CG1-CD 4.39Å; V416-F463 HydrophobicContact CG1-CD2 4.18Å; V416-F463 HydrophobicContact CG1-CE2 4.36Å |
| 417 | T | 85.8 | Confident | 81.2 | Confident | 40 Ų | 40 | 54 Ų | 54 | 25% | 0.245 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.1 | -38.6 | -179.6 | -51.6 | 0 | 0 | 0 | 0 | 112 | E413 P414 T415 K421 K459 | E413-T417 PolarHBondContact O-N 2.86Å; E413-T417 PolarHBondContact O-OG1 3.25Å; E413-T417 VanDerWaalsContact O-OG1 3.14Å; P414-T417 WeakPolarHBondContact O-CB 3.26Å; P414-T417 PolarHBondContact O-N 2.87Å; P414-T417 VanDerWaalsContact O-N 3.15Å; T415-T417 VanDerWaalsContact C-N 3.25Å; T415-T417 PolarHBondContact O-N 3.32Å; T417-K421 WeakPolarHBondContact O-CG 3.36Å; T417-K421 PolarHBondContact O-N 2.95Å; T417-K421 VanDerWaalsContact O-N 3.16Å; T417-K459 PolarHBondContact OG1-NZ 3.04Å |
| 418 | N | 86.1 | Confident | 80 | Confident | 89 Ų | 89 | 56.9 Ų | 56.9 | 48% | 0.476 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -70.2 | -44.1 | 176.8 | -70.4 | -19.8 | 0 | 0 | 0 | 111.9 | P414 T415 V416 L420 K421 T422 | P414-N418 PolarHBondContact O-N 3.1Å; T415-N418 PolarHBondContact O-N 3.31Å; T415-N418 VanDerWaalsContact O-N 3.17Å; V416-N418 VanDerWaalsContact C-N 3.35Å; V416-N418 PolarHBondContact O-N 3.38Å; N418-L420 VanDerWaalsContact C-N 3.31Å; N418-L420 PolarHBondContact O-N 3.16Å; N418-K421 WeakPolarHBondContact O-CB 3.35Å; N418-K421 PolarHBondContact O-N 3.05Å; N418-K421 VanDerWaalsContact O-N 3.08Å; N418-T422 PolarHBondContact O-N 2.78Å; N418-T422 PolarHBondContact O-OG1 3.36Å; N418-T422 VanDerWaalsContact O-OG1 3.11Å |
| 419 | I | 81.3 | Confident | 78.9 | Confident | 16 Ų | 16 | 62.7 Ų | 62.7 | 8% | 0.082 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.2 | -43.7 | 175.5 | -68 | 165.6 | 0 | 0 | 0 | 110.3 | T415 V416 K421 T422 V423 M441 L450 F463 | T415-I419 HydrophobicContact CG2-CD1 3.92Å; T415-I419 HydrophobicContact CG2-CG1 4.43Å; T415-I419 WeakPolarHBondContact O-CG1 3.33Å; T415-I419 PolarHBondContact O-N 2.8Å; V416-I419 PolarHBondContact O-N 3.18Å; I419-K421 VanDerWaalsContact C-N 3.32Å; I419-K421 PolarHBondContact O-N 3.35Å; I419-T422 PolarHBondContact O-N 2.92Å; I419-V423 HydrophobicContact CG2-CG2 4.11Å; I419-V423 VanDerWaalsContact O-CG2 3.31Å; I419-V423 WeakPolarHBondContact O-CG2 3.3Å; I419-V423 PolarHBondContact O-N 3.5Å; I419-M441 HydrophobicContact CD1-CE 4.26Å; I419-M441 HydrophobicContact CD1-CG 4.44Å; I419-M441 HydrophobicContact CD1-SD 3.89Å; I419-M441 HydrophobicContact CG2-SD 4.28Å; I419-L450 HydrophobicContact CD1-CD1 3.76Å; I419-L450 HydrophobicContact CD1-CD2 4.3Å; I419-F463 HydrophobicContact CB-CE2 4.23Å; I419-F463 HydrophobicContact CG2-CE2 3.74Å; I419-F463 HydrophobicContact CG2-CZ 4.13Å |
| 420 | L | 80.3 | Confident | 78 | Confident | 19 Ų | 19 | 66 Ų | 66 | 10% | 0.099 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -52.6 | -51.6 | 173 | -76.8 | 174 | 0 | 0 | 0 | 110 | V416 N418 T422 V423 D424 K459 F463 K466 | V416-L420 HydrophobicContact CG1-CD1 4.15Å; V416-L420 HydrophobicContact CG1-CG 4.47Å; V416-L420 WeakPolarHBondContact O-CB 3.22Å; V416-L420 VanDerWaalsContact O-CG 3.25Å; V416-L420 WeakPolarHBondContact O-CG 3.39Å; V416-L420 PolarHBondContact O-N 2.7Å; N418-L420 VanDerWaalsContact C-N 3.31Å; N418-L420 PolarHBondContact O-N 3.16Å; L420-T422 PolarHBondContact O-N 2.91Å; L420-V423 PolarHBondContact O-N 3.11Å; L420-D424 PolarHBondContact O-N 3.09Å; L420-K459 HydrophobicContact CD1-CB 4.32Å; L420-K459 HydrophobicContact CD1-CD 4.43Å; L420-F463 HydrophobicContact CD2-CB 4.2Å; L420-F463 HydrophobicContact CD2-CD2 3.63Å; L420-F463 HydrophobicContact CD2-CG 4.38Å; L420-F463 HydrophobicContact CG-CD2 3.92Å; L420-K466 VanDerWaalsContact CA-NZ 3.32Å; L420-K466 HydrophobicContact CD2-CD 3.62Å; L420-K466 PolarHBondContact O-NZ 3.47Å |
| 421 | K | 82.6 | Confident | 77.4 | Confident | 141 Ų | 141 | 67.2 Ų | 67.2 | 61% | 0.613 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -61.1 | -42.1 | 178.4 | -69.7 | 174.5 | -179.1 | 177.9 | 0 | 112.8 | T417 N418 I419 V423 D424 | T417-K421 WeakPolarHBondContact O-CG 3.36Å; T417-K421 PolarHBondContact O-N 2.95Å; T417-K421 VanDerWaalsContact O-N 3.16Å; N418-K421 WeakPolarHBondContact O-CB 3.35Å; N418-K421 PolarHBondContact O-N 3.05Å; N418-K421 VanDerWaalsContact O-N 3.08Å; I419-K421 VanDerWaalsContact C-N 3.32Å; I419-K421 PolarHBondContact O-N 3.35Å; K421-V423 PolarHBondContact O-N 3.45Å; K421-D424 PolarHBondContact O-N 3.4Å |
| 422 | T | 76.9 | Confident | 77.1 | Confident | 70 Ų | 70 | 63.2 Ų | 63.2 | 43% | 0.429 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.1 | -45.1 | 177.8 | -57.4 | 0 | 0 | 0 | 0 | 111 | N418 I419 L420 D424 A425 H427 | N418-T422 PolarHBondContact O-N 2.78Å; N418-T422 PolarHBondContact O-OG1 3.36Å; N418-T422 VanDerWaalsContact O-OG1 3.11Å; I419-T422 PolarHBondContact O-N 2.92Å; L420-T422 PolarHBondContact O-N 2.91Å; T422-D424 PolarHBondContact O-N 3.3Å; T422-A425 WeakPolarHBondContact O-CB 3.33Å; T422-A425 PolarHBondContact O-N 3.48Å; T422-A425 VanDerWaalsContact O-N 3.14Å; T422-H427 PolarHBondContact O-CE1 3.07Å; T422-H427 PolarHBondContact O-NE2 2.72Å |
| 423 | V | 71.9 | Confident | 76.8 | Confident | 15 Ų | 15 | 65 Ų | 65 | 9% | 0.091 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -70.5 | -16 | -179.7 | -176.3 | 0 | 0 | 0 | 0 | 112.6 | I419 L420 K421 H427 L434 K466 L470 | I419-V423 HydrophobicContact CG2-CG2 4.11Å; I419-V423 VanDerWaalsContact O-CG2 3.31Å; I419-V423 WeakPolarHBondContact O-CG2 3.3Å; I419-V423 PolarHBondContact O-N 3.5Å; L420-V423 PolarHBondContact O-N 3.11Å; K421-V423 PolarHBondContact O-N 3.45Å; V423-H427 VanDerWaalsContact CA-NE2 3.31Å; V423-H427 WeakPolarHBondContact CA-NE2 3.37Å; V423-H427 PolarHBondContact O-CD2 2.75Å; V423-H427 PolarHBondContact O-NE2 3.04Å; V423-L434 HydrophobicContact CG2-CD1 4.11Å; V423-K466 HydrophobicContact CB-CB 4.43Å; V423-K466 HydrophobicContact CB-CD 3.91Å; V423-K466 HydrophobicContact CG1-CB 3.71Å; V423-K466 HydrophobicContact CG1-CD 4Å; V423-K466 HydrophobicContact CG1-CG 4.2Å; V423-L470 HydrophobicContact CG1-CD1 4.03Å; V423-L470 HydrophobicContact CG1-CD2 4.5Å; V423-L470 HydrophobicContact CG1-CG 4.28Å |
| 424 | D | 70.7 | Confident | 76.7 | Confident | 103 Ų | 103 | 63.3 Ų | 63.3 | 55% | 0.551 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -12.6 | 171.8 | -72.2 | -28.2 | 0 | 0 | 0 | 114.1 | L420 K421 T422 K466 | L420-D424 PolarHBondContact O-N 3.09Å; K421-D424 PolarHBondContact O-N 3.4Å; T422-D424 PolarHBondContact O-N 3.3Å; D424-K466 WeakPolarHBondContact OD1-CE 3.45Å; D424-K466 IonicContact OD1-NZ 3.93Å; D424-K466 PolarHBondContact OD1-NZ 3.38Å; D424-K466 IonicContact OD2-NZ 2.67Å; D424-K466 PolarHBondContact OD2-NZ 2.83Å |
| 425 | A | 72.8 | Confident | 76.6 | Confident | 57 Ų | 57 | 60.2 Ų | 60.2 | 47% | 0.471 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -66.5 | 155.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | T422 H427 | T422-A425 WeakPolarHBondContact O-CB 3.33Å; T422-A425 PolarHBondContact O-N 3.48Å; T422-A425 VanDerWaalsContact O-N 3.14Å; A425-H427 PolarHBondContact O-CD2 2.64Å; A425-H427 PolarHBondContact O-N 3.25Å; A425-H427 PolarHBondContact O-NE2 3.4Å |
| 426 | D | 63 | Low | 76.6 | Confident | 105 Ų | 105 | 58.3 Ų | 58.3 | 56% | 0.561 | 33% | 0.333 | S | S | * | . | trans | -70.3 | 92.7 | 178.4 | -176.9 | 7.8 | 0 | 0 | 0 | 111.4 | S428 | D426-S428 VanDerWaalsContact CG-OG 3.28Å; D426-S428 PolarHBondContact O-N 3.42Å; D426-S428 WeakPolarHBondContact OD1-CB 3.16Å; D426-S428 PolarHBondContact OD1-N 3.16Å; D426-S428 PolarHBondContact OD1-OG 2.88Å; D426-S428 PolarHBondContact OD2-OG 2.87Å | ||
| 427 | H | 61.8 | Low | 76.5 | Confident | 32 Ų | 32 | 61 Ų | 61 | 15% | 0.148 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | -74 | -3.6 | -174.4 | -63.2 | -58.9 | 0 | 0 | 0 | 115.1 | T422 V423 A425 K429 S430 L434 | T422-H427 PolarHBondContact O-CE1 3.07Å; T422-H427 PolarHBondContact O-NE2 2.72Å; V423-H427 VanDerWaalsContact CA-NE2 3.31Å; V423-H427 WeakPolarHBondContact CA-NE2 3.37Å; V423-H427 PolarHBondContact O-CD2 2.75Å; V423-H427 PolarHBondContact O-NE2 3.04Å; A425-H427 PolarHBondContact O-CD2 2.64Å; A425-H427 PolarHBondContact O-N 3.25Å; A425-H427 PolarHBondContact O-NE2 3.4Å; H427-K429 PolarHBondContact O-N 3.43Å; H427-S430 PolarHBondContact O-N 3.25Å; H427-L434 HydrophobicContact CB-CD2 4.35Å |
| 428 | S | 60.1 | Low | 76.5 | Confident | 74 Ų | 74 | 59 Ų | 59 | 52% | 0.517 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -57.5 | -19.2 | 171.1 | 64.3 | 0 | 0 | 0 | 0 | 112.5 | D426 | D426-S428 VanDerWaalsContact CG-OG 3.28Å; D426-S428 PolarHBondContact O-N 3.42Å; D426-S428 WeakPolarHBondContact OD1-CB 3.16Å; D426-S428 PolarHBondContact OD1-N 3.16Å; D426-S428 PolarHBondContact OD1-OG 2.88Å; D426-S428 PolarHBondContact OD2-OG 2.87Å |
| 429 | K | 62.3 | Low | 76.5 | Confident | 174 Ų | 174 | 54.8 Ų | 54.8 | 76% | 0.757 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -99.6 | -16.5 | -175.6 | -60.2 | 179.4 | -175 | 172.8 | 0 | 115.5 | H427 | H427-K429 PolarHBondContact O-N 3.43Š|
| 430 | S | 71.3 | Confident | 76.6 | Confident | 70 Ų | 70 | 60.4 Ų | 60.4 | 49% | 0.49 | 34% | 0.341 | S | S | . | . | trans | -156.8 | 70.1 | -179.6 | -171.7 | 0 | 0 | 0 | 0 | 114.2 | H427 E432 | H427-S430 PolarHBondContact O-N 3.25Å; S430-E432 VanDerWaalsContact C-N 3.3Å; S430-E432 PolarHBondContact O-N 3.05Å | ||
| 431 | P | 77.3 | Confident | 76.9 | Confident | 48 Ų | 48 | 59.9 Ų | 59.9 | 31% | 0.312 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -68.5 | -25.2 | 179.5 | 27.5 | -35.1 | 0 | 0 | 0 | 113.7 | L435 V487 L491 | P431-L435 PolarHBondContact O-N 3.26Å; P431-L435 VanDerWaalsContact O-N 3.09Å; P431-V487 HydrophobicContact CB-CG1 3.93Å; P431-L491 HydrophobicContact CB-CD1 4.14Å |
| 432 | E | 81.8 | Confident | 76.9 | Confident | 99 Ų | 99 | 53.5 Ų | 53.5 | 46% | 0.463 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -70.5 | -40.2 | 179.3 | -66.4 | -178 | -176.5 | 0 | 0 | 112.4 | S430 L435 G436 K483 V487 | S430-E432 VanDerWaalsContact C-N 3.3Å; S430-E432 PolarHBondContact O-N 3.05Å; E432-L435 PolarHBondContact O-N 3.38Å; E432-G436 PolarHBondContact O-N 3.02Å; E432-K483 WeakPolarHBondContact OE1-CE 3.29Å; E432-K483 IonicContact OE1-NZ 2.96Å; E432-K483 PolarHBondContact OE1-NZ 3.49Å; E432-K483 IonicContact OE2-NZ 2.73Å; E432-K483 PolarHBondContact OE2-NZ 3.29Å; E432-V487 HydrophobicContact CG-CG2 3.98Å |
| 433 | G | 81.6 | Confident | 77.1 | Confident | 41 Ų | 41 | 53.1 Ų | 53.1 | 42% | 0.423 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65.5 | -39.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | G436 V437 | G433-G436 PolarHBondContact O-N 3.44Å; G433-V437 PolarHBondContact O-N 3.29Å; G433-V437 VanDerWaalsContact O-N 3.15Å |
| 434 | L | 82.9 | Confident | 77.5 | Confident | 8 Ų | 8 | 55.6 Ų | 55.6 | 4% | 0.042 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.5 | -42.8 | 174.9 | -179.7 | 64.7 | 0 | 0 | 0 | 111.9 | V423 H427 G436 V437 L438 L470 L491 | V423-L434 HydrophobicContact CG2-CD1 4.11Å; H427-L434 HydrophobicContact CB-CD2 4.35Å; L434-G436 VanDerWaalsContact C-N 3.29Å; L434-G436 PolarHBondContact O-N 3.33Å; L434-V437 PolarHBondContact O-N 2.9Å; L434-L438 HydrophobicContact CD1-CD1 4.47Å; L434-L438 HydrophobicContact CD1-CG 4.42Å; L434-L438 HydrophobicContact CG-CD1 4.27Å; L434-L438 WeakPolarHBondContact O-CG 3.24Å; L434-L438 PolarHBondContact O-N 3.28Å; L434-L470 HydrophobicContact CD2-CD1 4.09Å; L434-L470 HydrophobicContact CD2-CD2 3.51Å; L434-L470 HydrophobicContact CD2-CG 4.46Å; L434-L491 HydrophobicContact CD2-CD2 4.24Å; L434-L491 HydrophobicContact CG-CD2 4.16Å |
| 435 | L | 85.8 | Confident | 77.9 | Confident | 2 Ų | 2 | 55.2 Ų | 55.2 | 1% | 0.01 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -59.4 | -41.4 | 175.5 | 177.5 | 63.2 | 0 | 0 | 0 | 111.5 | P431 E432 L438 G439 V487 Q490 L491 I494 F657 | P431-L435 PolarHBondContact O-N 3.26Å; P431-L435 VanDerWaalsContact O-N 3.09Å; E432-L435 PolarHBondContact O-N 3.38Å; L435-L438 PolarHBondContact O-N 2.83Å; L435-G439 PolarHBondContact O-N 2.83Å; L435-V487 HydrophobicContact CB-CG1 4.36Å; L435-V487 HydrophobicContact CD2-CB 4.35Å; L435-V487 HydrophobicContact CD2-CG1 4.07Å; L435-V487 HydrophobicContact CD2-CG2 4.18Å; L435-Q490 HydrophobicContact CD1-CB 3.67Å; L435-Q490 HydrophobicContact CD2-CB 4.16Å; L435-L491 HydrophobicContact CB-CD2 3.91Å; L435-L491 HydrophobicContact CB-CG 4.28Å; L435-L491 HydrophobicContact CD1-CD2 4.12Å; L435-L491 HydrophobicContact CD1-CG 4.32Å; L435-I494 HydrophobicContact CD1-CD1 3.76Å; L435-F657 HydrophobicContact CG-CE2 4.44Å |
| 436 | G | 86.2 | Confident | 78.6 | Confident | 21 Ų | 21 | 54.7 Ų | 54.7 | 22% | 0.216 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59.7 | -46.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | E432 G433 L434 G439 H440 | E432-G436 PolarHBondContact O-N 3.02Å; G433-G436 PolarHBondContact O-N 3.44Å; L434-G436 VanDerWaalsContact C-N 3.29Å; L434-G436 PolarHBondContact O-N 3.33Å; G436-G439 PolarHBondContact O-N 3.42Å; G436-H440 WeakPolarHBondContact O-CB 3.42Å; G436-H440 PolarHBondContact O-CD2 3.19Å; G436-H440 PolarHBondContact O-N 3.46Å |
| 437 | V | 85.2 | Confident | 79.8 | Confident | 56 Ų | 56 | 49.9 Ų | 49.9 | 34% | 0.339 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.4 | -49.1 | 177.2 | 174.3 | 0 | 0 | 0 | 0 | 111.2 | G433 L434 H440 M441 | G433-V437 PolarHBondContact O-N 3.29Å; G433-V437 VanDerWaalsContact O-N 3.15Å; L434-V437 PolarHBondContact O-N 2.9Å; V437-H440 PolarHBondContact O-N 2.93Å; V437-M441 HydrophobicContact CG1-SD 4.35Å; V437-M441 WeakPolarHBondContact O-CG 3.48Å; V437-M441 PolarHBondContact O-N 2.98Å; V437-M441 VanDerWaalsContact O-N 3.09Å |
| 438 | L | 85.6 | Confident | 81.1 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66 | -40.5 | -179.8 | -64.9 | 177.3 | 0 | 0 | 0 | 112 | L434 L435 M441 L442 F467 L470 L491 I494 M498 | L434-L438 HydrophobicContact CD1-CD1 4.47Å; L434-L438 HydrophobicContact CD1-CG 4.42Å; L434-L438 HydrophobicContact CG-CD1 4.27Å; L434-L438 WeakPolarHBondContact O-CG 3.24Å; L434-L438 PolarHBondContact O-N 3.28Å; L435-L438 PolarHBondContact O-N 2.83Å; L438-M441 HydrophobicContact CD2-SD 4.09Å; L438-M441 WeakPolarHBondContact O-CB 3.3Å; L438-M441 PolarHBondContact O-N 3.41Å; L438-L442 WeakPolarHBondContact O-CG 3.49Å; L438-L442 PolarHBondContact O-N 3.18Å; L438-F467 HydrophobicContact CD2-CE1 3.81Å; L438-L470 HydrophobicContact CD1-CD1 3.88Å; L438-L491 HydrophobicContact CD1-CD2 3.82Å; L438-I494 HydrophobicContact CB-CG2 3.92Å; L438-M498 HydrophobicContact CD2-CE 4.25Å; L438-M498 HydrophobicContact CD2-SD 4.11Å |
| 439 | G | 84.6 | Confident | 82.5 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.4 | -45.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L435 G436 M441 L442 | L435-G439 PolarHBondContact O-N 2.83Å; G436-G439 PolarHBondContact O-N 3.42Å; G439-M441 VanDerWaalsContact C-N 3.28Å; G439-M441 PolarHBondContact O-N 3.13Å; G439-L442 PolarHBondContact O-N 3.08Å; G439-L442 VanDerWaalsContact O-N 3.15Å |
| 440 | H | 83.8 | Confident | 83.9 | Confident | 134 Ų | 134 | 39.4 Ų | 39.4 | 62% | 0.62 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -64 | -31.1 | 175.2 | -74.2 | -54.5 | 0 | 0 | 0 | 113.2 | G436 V437 L442 S443 | G436-H440 WeakPolarHBondContact O-CB 3.42Å; G436-H440 PolarHBondContact O-CD2 3.19Å; G436-H440 PolarHBondContact O-N 3.46Å; V437-H440 PolarHBondContact O-N 2.93Å; H440-L442 VanDerWaalsContact C-N 3.29Å; H440-L442 PolarHBondContact O-N 2.95Å; H440-S443 WeakPolarHBondContact O-CB 3.22Å; H440-S443 PolarHBondContact O-N 3.48Å |
| 441 | M | 85.9 | Confident | 84.9 | Confident | 7 Ų | 7 | 36.1 Ų | 36.1 | 3% | 0.034 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.3 | -29.7 | 174.6 | -72.2 | 171.8 | 62.5 | 0 | 0 | 113.1 | I419 V437 L438 G439 S443 L447 L450 F463 F467 M498 | I419-M441 HydrophobicContact CD1-CE 4.26Å; I419-M441 HydrophobicContact CD1-CG 4.44Å; I419-M441 HydrophobicContact CD1-SD 3.89Å; I419-M441 HydrophobicContact CG2-SD 4.28Å; V437-M441 HydrophobicContact CG1-SD 4.35Å; V437-M441 WeakPolarHBondContact O-CG 3.48Å; V437-M441 PolarHBondContact O-N 2.98Å; V437-M441 VanDerWaalsContact O-N 3.09Å; L438-M441 HydrophobicContact CD2-SD 4.09Å; L438-M441 WeakPolarHBondContact O-CB 3.3Å; L438-M441 PolarHBondContact O-N 3.41Å; G439-M441 VanDerWaalsContact C-N 3.28Å; G439-M441 PolarHBondContact O-N 3.13Å; M441-S443 PolarHBondContact O-N 2.63Å; M441-L447 HydrophobicContact CE-CD1 4.33Å; M441-L447 WeakPolarHBondContact O-CB 3.47Å; M441-L447 PolarHBondContact O-N 3.33Å; M441-L450 HydrophobicContact CE-CD1 3.8Å; M441-L450 HydrophobicContact CG-CD1 4.03Å; M441-L450 HydrophobicContact SD-CD1 4.46Å; M441-F463 HydrophobicContact CE-CE1 4.06Å; M441-F463 HydrophobicContact CE-CZ 3.59Å; M441-F467 HydrophobicContact CE-CZ 4.25Å; M441-M498 HydrophobicContact CB-CE 3.98Å; M441-M498 HydrophobicContact CE-CE 3.47Å; M441-M498 VanDerWaalsContact CE-CE 3.47Å; M441-M498 HydrophobicContact SD-CE 4.13Å |
| 442 | L | 83.3 | Confident | 85.7 | Confident | 7 Ų | 7 | 33.8 Ų | 33.8 | 4% | 0.037 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -11.4 | 177.6 | -52.6 | -176.2 | 0 | 0 | 0 | 113 | L438 G439 H440 G444 L447 I494 M498 E660 R661 I664 | L438-L442 WeakPolarHBondContact O-CG 3.49Å; L438-L442 PolarHBondContact O-N 3.18Å; G439-L442 PolarHBondContact O-N 3.08Å; G439-L442 VanDerWaalsContact O-N 3.15Å; H440-L442 VanDerWaalsContact C-N 3.29Å; H440-L442 PolarHBondContact O-N 2.95Å; L442-G444 PolarHBondContact O-N 3.02Å; L442-L447 HydrophobicContact CD2-CD2 4.14Å; L442-I494 HydrophobicContact CD1-CB 4.34Å; L442-I494 HydrophobicContact CD1-CD1 4.02Å; L442-I494 HydrophobicContact CD1-CG1 3.81Å; L442-I494 HydrophobicContact CD1-CG2 3.8Å; L442-I494 HydrophobicContact CD2-CG2 4.04Å; L442-I494 HydrophobicContact CG-CG2 4.18Å; L442-M498 HydrophobicContact CD2-CE 3.84Å; L442-M498 HydrophobicContact CD2-CG 3.81Å; L442-M498 HydrophobicContact CD2-SD 4.16Å; L442-E660 HydrophobicContact CB-CB 3.83Å; L442-R661 HydrophobicContact CD1-CG 3.86Å; L442-I664 HydrophobicContact CB-CD1 3.72Å; L442-I664 HydrophobicContact CD1-CD1 4.22Å; L442-I664 HydrophobicContact CD2-CD1 3.3Å; L442-I664 HydrophobicContact CG-CD1 3.88Å |
| 443 | S | 81 | Confident | 86.2 | Confident | 62 Ų | 62 | 29.1 Ų | 29.1 | 43% | 0.434 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -74.4 | 125.6 | -179.3 | 171.3 | 0 | 0 | 0 | 0 | 111.6 | H440 M441 S446 | H440-S443 WeakPolarHBondContact O-CB 3.22Å; H440-S443 PolarHBondContact O-N 3.48Å; M441-S443 PolarHBondContact O-N 2.63Å; S443-S446 WeakPolarHBondContact O-CB 3.19Å; S443-S446 PolarHBondContact O-N 3.24Å |
| 444 | G | 80.2 | Confident | 86.8 | Confident | 68 Ų | 68 | 27.1 Ų | 27.1 | 70% | 0.701 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.6 | -140.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L442 S446 | L442-G444 PolarHBondContact O-N 3.02Å; G444-S446 VanDerWaalsContact C-N 3.31Å; G444-S446 PolarHBondContact O-N 3.28Å |
| 445 | K | 80.2 | Confident | 87.2 | Confident | 95 Ų | 95 | 26.9 Ų | 26.9 | 41% | 0.413 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 11.6 | 179 | -64.5 | -175.3 | 176.6 | 178 | 0 | 113.8 | L447 D448 L449 | K445-L447 PolarHBondContact O-N 3.35Å; K445-D448 PolarHBondContact O-N 3.31Å; K445-L449 WeakPolarHBondContact O-CB 3.23Å; K445-L449 PolarHBondContact O-N 2.88Å |
| 446 | S | 86 | Confident | 87.6 | Confident | 45 Ų | 45 | 27.2 Ų | 27.2 | 32% | 0.315 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -62.9 | -44 | -172.9 | -173.1 | 0 | 0 | 0 | 0 | 112.3 | S443 G444 L449 L450 | S443-S446 WeakPolarHBondContact O-CB 3.19Å; S443-S446 PolarHBondContact O-N 3.24Å; G444-S446 VanDerWaalsContact C-N 3.31Å; G444-S446 PolarHBondContact O-N 3.28Å; S446-L449 PolarHBondContact O-N 2.91Å; S446-L450 WeakPolarHBondContact O-CG 3.39Å; S446-L450 PolarHBondContact O-N 3.16Å |
| 447 | L | 88.4 | Confident | 87.8 | Confident | 5 Ų | 5 | 28 Ų | 28 | 3% | 0.026 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.3 | -53.1 | 176.4 | -179.2 | 58.8 | 0 | 0 | 0 | 111.4 | M441 L442 K445 L449 L450 L451 M498 I664 | M441-L447 HydrophobicContact CE-CD1 4.33Å; M441-L447 WeakPolarHBondContact O-CB 3.47Å; M441-L447 PolarHBondContact O-N 3.33Å; L442-L447 HydrophobicContact CD2-CD2 4.14Å; K445-L447 PolarHBondContact O-N 3.35Å; L447-L449 VanDerWaalsContact C-N 3.3Å; L447-L449 PolarHBondContact O-N 3.47Å; L447-L450 PolarHBondContact O-N 3.23Å; L447-L451 HydrophobicContact CD1-CD1 3.92Å; L447-L451 HydrophobicContact CD1-CD2 4.36Å; L447-L451 HydrophobicContact CD1-CG 3.93Å; L447-L451 HydrophobicContact CG-CD1 3.87Å; L447-L451 HydrophobicContact CG-CG 4.25Å; L447-L451 WeakPolarHBondContact O-CB 3.3Å; L447-L451 VanDerWaalsContact O-CG 3.28Å; L447-L451 WeakPolarHBondContact O-CG 3.22Å; L447-L451 PolarHBondContact O-N 3.45Å; L447-M498 HydrophobicContact CD1-CE 3.5Å; L447-M498 VanDerWaalsContact CD1-CE 3.5Å; L447-M498 HydrophobicContact CD1-CG 4.37Å; L447-M498 HydrophobicContact CD2-CG 4.23Å; L447-I664 HydrophobicContact CD2-CD1 3.79Å |
| 448 | D | 89.3 | Confident | 88 | Confident | 27 Ų | 27 | 28 Ų | 28 | 14% | 0.144 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.8 | -39.9 | -178.4 | -65.9 | -44.5 | 0 | 0 | 0 | 112.2 | L300 K445 L451 A452 H501 | L300-D448 HydrophobicContact CD1-CB 3.53Å; K445-D448 PolarHBondContact O-N 3.31Å; D448-L451 PolarHBondContact O-N 3.47Å; D448-A452 VanDerWaalsContact O-CB 3.28Å; D448-A452 WeakPolarHBondContact O-CB 3.42Å; D448-A452 PolarHBondContact O-N 3.48Å; D448-H501 IonicContact OD1-CD2 2.75Å; D448-H501 IonicContact OD1-CE1 3.76Å; D448-H501 IonicContact OD1-NE2 3.69Å; D448-H501 PolarHBondContact OD1-NE2 3.17Å |
| 449 | L | 90.6 | Very high | 88.2 | Confident | 27 Ų | 27 | 30.7 Ų | 30.7 | 14% | 0.141 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.4 | -47.8 | 175.6 | -177.1 | 77 | 0 | 0 | 0 | 111.6 | L300 L408 I409 A412 K445 S446 L447 A452 A453 | L300-L449 HydrophobicContact CD2-CB 4.4Å; L300-L449 HydrophobicContact CD2-CD1 3.6Å; L408-L449 HydrophobicContact CB-CD1 4.13Å; L408-L449 HydrophobicContact CB-CD2 4.15Å; I409-L449 HydrophobicContact CB-CD1 4.3Å; I409-L449 HydrophobicContact CD1-CD1 3.58Å; I409-L449 HydrophobicContact CD1-CG 4.22Å; I409-L449 WeakPolarHBondContact CD1-O 3.41Å; A412-L449 HydrophobicContact CB-CD2 4.07Å; A412-L449 HydrophobicContact CB-CG 3.86Å; K445-L449 WeakPolarHBondContact O-CB 3.23Å; K445-L449 PolarHBondContact O-N 2.88Å; S446-L449 PolarHBondContact O-N 2.91Å; L447-L449 VanDerWaalsContact C-N 3.3Å; L447-L449 PolarHBondContact O-N 3.47Å; L449-A452 PolarHBondContact O-N 3.22Å; L449-A453 PolarHBondContact O-N 3.13Å; L449-A453 VanDerWaalsContact O-N 3.07Å |
| 450 | L | 91.6 | Very high | 88.5 | Confident | 6 Ų | 6 | 30.9 Ų | 30.9 | 3% | 0.031 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67.1 | -41.1 | 179.3 | -70.1 | 170.1 | 0 | 0 | 0 | 111.7 | A412 T415 V416 I419 M441 S446 L447 A453 A454 | A412-L450 HydrophobicContact CB-CD2 4.22Å; T415-L450 HydrophobicContact CG2-CD2 3.81Å; V416-L450 HydrophobicContact CG2-CB 4.17Å; V416-L450 HydrophobicContact CG2-CD2 3.79Å; V416-L450 WeakPolarHBondContact CG2-O 3.41Å; I419-L450 HydrophobicContact CD1-CD1 3.76Å; I419-L450 HydrophobicContact CD1-CD2 4.3Å; M441-L450 HydrophobicContact CE-CD1 3.8Å; M441-L450 HydrophobicContact CG-CD1 4.03Å; M441-L450 HydrophobicContact SD-CD1 4.46Å; S446-L450 WeakPolarHBondContact O-CG 3.39Å; S446-L450 PolarHBondContact O-N 3.16Å; L447-L450 PolarHBondContact O-N 3.23Å; L450-A453 PolarHBondContact O-N 3.38Å; L450-A454 VanDerWaalsContact O-CB 3.27Å; L450-A454 WeakPolarHBondContact O-CB 3.48Å; L450-A454 PolarHBondContact O-N 3Å |
| 451 | L | 92.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66 | -41 | 177.3 | -66.5 | -179.8 | 0 | 0 | 0 | 111.6 | L447 D448 A454 A455 L460 F463 V502 Y506 | L447-L451 HydrophobicContact CD1-CD1 3.92Å; L447-L451 HydrophobicContact CD1-CD2 4.36Å; L447-L451 HydrophobicContact CD1-CG 3.93Å; L447-L451 HydrophobicContact CG-CD1 3.87Å; L447-L451 HydrophobicContact CG-CG 4.25Å; L447-L451 WeakPolarHBondContact O-CB 3.3Å; L447-L451 VanDerWaalsContact O-CG 3.28Å; L447-L451 WeakPolarHBondContact O-CG 3.22Å; L447-L451 PolarHBondContact O-N 3.45Å; D448-L451 PolarHBondContact O-N 3.47Å; L451-A454 PolarHBondContact O-N 2.97Å; L451-A455 VanDerWaalsContact O-CB 3.28Å; L451-A455 WeakPolarHBondContact O-CB 3.44Å; L451-A455 PolarHBondContact O-N 3.19Å; L451-L460 HydrophobicContact CB-CD1 4.5Å; L451-L460 HydrophobicContact CD2-CD1 3.75Å; L451-F463 HydrophobicContact CD2-CD1 3.81Å; L451-F463 HydrophobicContact CD2-CE1 3.84Å; L451-V502 HydrophobicContact CD1-CG2 3.8Å; L451-V502 HydrophobicContact CD2-CG2 3.67Å; L451-V502 HydrophobicContact CG-CG2 4.39Å; L451-Y506 HydrophobicContact CB-CE2 3.73Å; L451-Y506 HydrophobicContact CD1-CE2 4.28Å |
| 452 | A | 93.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.5 | -44.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L300 A304 I409 D448 L449 A455 A456 Y506 | L300-A452 HydrophobicContact CB-CB 4.17Å; A304-A452 HydrophobicContact CB-CB 4.01Å; A304-A452 WeakPolarHBondContact CB-O 3.43Å; I409-A452 HydrophobicContact CD1-CB 4.16Å; D448-A452 VanDerWaalsContact O-CB 3.28Å; D448-A452 WeakPolarHBondContact O-CB 3.42Å; D448-A452 PolarHBondContact O-N 3.48Å; L449-A452 PolarHBondContact O-N 3.22Å; A452-A455 PolarHBondContact O-N 3.13Å; A452-A456 WeakPolarHBondContact O-CB 3.41Å; A452-A456 PolarHBondContact O-N 3.44Å; A452-Y506 VanDerWaalsContact CA-OH 3.32Å; A452-Y506 WeakPolarHBondContact CA-OH 3.36Å; A452-Y506 PolarHBondContact N-OH 3.18Å |
| 453 | A | 93.7 | Very high | 89 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.7 | -42.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | L308 I409 A412 V416 L449 L450 A455 T457 | L308-A453 HydrophobicContact CD1-CB 3.94Å; I409-A453 HydrophobicContact CD1-CB 4Å; I409-A453 HydrophobicContact CG1-CB 4.4Å; A412-A453 HydrophobicContact CB-CB 3.8Å; V416-A453 HydrophobicContact CG2-CB 4.36Å; L449-A453 PolarHBondContact O-N 3.13Å; L449-A453 VanDerWaalsContact O-N 3.07Å; L450-A453 PolarHBondContact O-N 3.38Å; A453-A455 VanDerWaalsContact C-N 3.34Å; A453-A455 PolarHBondContact O-N 3.2Å; A453-T457 WeakPolarHBondContact O-CB 3.46Å; A453-T457 WeakPolarHBondContact O-CG2 3.34Å; A453-T457 PolarHBondContact O-N 3.31Å; A453-T457 VanDerWaalsContact O-N 3.09Å; A453-T457 PolarHBondContact O-OG1 2.71Å |
| 454 | A | 92.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.5 | -37.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | V416 L450 L451 T457 G458 K459 L460 | V416-A454 HydrophobicContact CG1-CB 3.88Å; V416-A454 HydrophobicContact CG2-CB 4.21Å; L450-A454 VanDerWaalsContact O-CB 3.27Å; L450-A454 WeakPolarHBondContact O-CB 3.48Å; L450-A454 PolarHBondContact O-N 3Å; L451-A454 PolarHBondContact O-N 2.97Å; A454-T457 PolarHBondContact O-OG1 3.33Å; A454-G458 PolarHBondContact O-N 3.47Å; A454-K459 PolarHBondContact O-N 2.87Å; A454-L460 HydrophobicContact CB-CB 4.24Å; A454-L460 HydrophobicContact CB-CD1 4.2Å; A454-L460 PolarHBondContact O-N 3.14Å |
| 455 | A | 92.4 | Very high | 89.8 | Confident | 3 Ų | 3 | 29 Ų | 29 | 3% | 0.025 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.9 | -52.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | L253 T254 L451 A452 A453 T457 G458 L460 Y506 | L253-A455 HydrophobicContact CD2-CB 3.89Å; L253-A455 HydrophobicContact CG-CB 3.94Å; T254-A455 HydrophobicContact CG2-CB 3.94Å; L451-A455 VanDerWaalsContact O-CB 3.28Å; L451-A455 WeakPolarHBondContact O-CB 3.44Å; L451-A455 PolarHBondContact O-N 3.19Å; A452-A455 PolarHBondContact O-N 3.13Å; A453-A455 VanDerWaalsContact C-N 3.34Å; A453-A455 PolarHBondContact O-N 3.2Å; A455-T457 VanDerWaalsContact C-N 3.25Å; A455-T457 PolarHBondContact O-N 3.07Å; A455-G458 PolarHBondContact O-N 3.38Å; A455-L460 HydrophobicContact CB-CD2 4.09Å; A455-Y506 HydrophobicContact CB-CD1 4.14Å; A455-Y506 HydrophobicContact CB-CE1 3.72Å |
| 456 | A | 93.3 | Very high | 90.1 | Very high | 8 Ų | 8 | 25.6 Ų | 25.6 | 7% | 0.066 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.9 | -31.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | L253 A304 L308 K309 A452 | L253-A456 HydrophobicContact CD1-CB 3.96Å; A304-A456 HydrophobicContact CB-CB 3.74Å; L308-A456 HydrophobicContact CB-CB 4.02Å; L308-A456 HydrophobicContact CD1-CB 4.39Å; K309-A456 HydrophobicContact CB-CB 4.2Å; A452-A456 WeakPolarHBondContact O-CB 3.41Å; A452-A456 PolarHBondContact O-N 3.44Å |
| 457 | T | 90.9 | Very high | 90.2 | Very high | 37 Ų | 37 | 23.5 Ų | 23.5 | 23% | 0.227 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 3.1 | -178.9 | 59.5 | 0 | 0 | 0 | 0 | 114 | L308 E413 A453 A454 A455 K459 | L308-T457 HydrophobicContact CB-CG2 4.26Å; L308-T457 HydrophobicContact CD1-CG2 4.19Å; E413-T457 HydrophobicContact CG-CG2 4.1Å; A453-T457 WeakPolarHBondContact O-CB 3.46Å; A453-T457 WeakPolarHBondContact O-CG2 3.34Å; A453-T457 PolarHBondContact O-N 3.31Å; A453-T457 VanDerWaalsContact O-N 3.09Å; A453-T457 PolarHBondContact O-OG1 2.71Å; A454-T457 PolarHBondContact O-OG1 3.33Å; A455-T457 VanDerWaalsContact C-N 3.25Å; A455-T457 PolarHBondContact O-N 3.07Å; T457-K459 PolarHBondContact O-N 3.27Å |
| 458 | G | 89.3 | Confident | 90.3 | Very high | 57 Ų | 57 | 23.8 Ų | 23.8 | 59% | 0.588 | 13% | 0.132 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71 | 14.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | A454 A455 | A454-G458 PolarHBondContact O-N 3.47Å; A455-G458 PolarHBondContact O-N 3.38Å |
| 459 | K | 90.2 | Very high | 90.1 | Very high | 56 Ų | 56 | 29.1 Ų | 29.1 | 24% | 0.243 | 15% | 0.154 | C | C | . | . | trans | -93.4 | -8.1 | -179.9 | -67.3 | 175.3 | -175.6 | 165.1 | 0 | 113.4 | V416 T417 L420 A454 T457 K461 S462 F463 | V416-K459 HydrophobicContact CG1-CB 4.33Å; V416-K459 HydrophobicContact CG1-CD 4.39Å; T417-K459 PolarHBondContact OG1-NZ 3.04Å; L420-K459 HydrophobicContact CD1-CB 4.32Å; L420-K459 HydrophobicContact CD1-CD 4.43Å; A454-K459 PolarHBondContact O-N 2.87Å; T457-K459 PolarHBondContact O-N 3.27Å; K459-K461 PolarHBondContact O-N 3.35Å; K459-S462 PolarHBondContact O-N 3.08Å; K459-F463 PolarHBondContact O-N 3.45Å | ||
| 460 | L | 90.9 | Very high | 89.8 | Confident | 4 Ų | 4 | 28.4 Ų | 28.4 | 2% | 0.021 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -58.6 | -41.6 | -175 | -174.2 | 66.5 | 0 | 0 | 0 | 113.3 | T254 L451 A454 A455 S462 F463 A464 V502 Y506 V510 | T254-L460 HydrophobicContact CG2-CD2 3.61Å; L451-L460 HydrophobicContact CB-CD1 4.5Å; L451-L460 HydrophobicContact CD2-CD1 3.75Å; A454-L460 HydrophobicContact CB-CB 4.24Å; A454-L460 HydrophobicContact CB-CD1 4.2Å; A454-L460 PolarHBondContact O-N 3.14Å; A455-L460 HydrophobicContact CB-CD2 4.09Å; L460-S462 PolarHBondContact O-N 3.41Å; L460-F463 WeakPolarHBondContact O-CA 3.49Å; L460-F463 VanDerWaalsContact O-CB 3.28Å; L460-F463 WeakPolarHBondContact O-CB 3.29Å; L460-F463 PolarHBondContact O-N 2.93Å; L460-F463 VanDerWaalsContact O-N 3.11Å; L460-A464 PolarHBondContact O-N 3.09Å; L460-V502 HydrophobicContact CD1-CG1 4.46Å; L460-Y506 HydrophobicContact CD2-CD1 4.24Å; L460-Y506 HydrophobicContact CD2-CD2 3.96Å; L460-Y506 HydrophobicContact CD2-CG 3.79Å; L460-V510 HydrophobicContact CB-CG1 4.48Å; L460-V510 HydrophobicContact CD2-CG1 3.71Å; L460-V510 HydrophobicContact CD2-CG2 4.04Å; L460-V510 HydrophobicContact CG-CG1 3.74Å |
| 461 | K | 88.9 | Confident | 89.6 | Confident | 69 Ų | 69 | 28.2 Ų | 28.2 | 30% | 0.3 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -60.1 | -47 | 177.5 | -60.7 | -167 | -178.8 | -175.2 | 0 | 111.8 | K459 F463 A464 R465 V510 S513 | K459-K461 PolarHBondContact O-N 3.35Å; K461-F463 PolarHBondContact O-N 2.8Å; K461-A464 PolarHBondContact O-N 3.17Å; K461-R465 WeakPolarHBondContact O-CG 3.32Å; K461-R465 PolarHBondContact O-N 3.42Å; K461-V510 HydrophobicContact CG-CG1 4.3Å; K461-V510 WeakPolarHBondContact CG-O 3.44Å; K461-S513 PolarHBondContact NZ-OG 3.19Å |
| 462 | S | 87.7 | Confident | 89.3 | Confident | 56 Ų | 56 | 30.3 Ų | 30.3 | 39% | 0.392 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -61.9 | -34.1 | 175.6 | -59.7 | 0 | 0 | 0 | 0 | 112.1 | K459 L460 K466 | K459-S462 PolarHBondContact O-N 3.08Å; L460-S462 PolarHBondContact O-N 3.41Å; S462-K466 WeakPolarHBondContact O-CG 3.47Å; S462-K466 PolarHBondContact O-N 3Å |
| 463 | F | 86.7 | Confident | 88.4 | Confident | 2 Ų | 2 | 34.6 Ų | 34.6 | 1% | 0.009 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -67.7 | -49 | 175.5 | -155.2 | -110.2 | 0 | 0 | 0 | 111.5 | V416 I419 L420 M441 L451 K459 L460 K461 R465 K466 F467 | V416-F463 HydrophobicContact CG1-CD2 4.18Å; V416-F463 HydrophobicContact CG1-CE2 4.36Å; I419-F463 HydrophobicContact CB-CE2 4.23Å; I419-F463 HydrophobicContact CG2-CE2 3.74Å; I419-F463 HydrophobicContact CG2-CZ 4.13Å; L420-F463 HydrophobicContact CD2-CB 4.2Å; L420-F463 HydrophobicContact CD2-CD2 3.63Å; L420-F463 HydrophobicContact CD2-CG 4.38Å; L420-F463 HydrophobicContact CG-CD2 3.92Å; M441-F463 HydrophobicContact CE-CE1 4.06Å; M441-F463 HydrophobicContact CE-CZ 3.59Å; L451-F463 HydrophobicContact CD2-CD1 3.81Å; L451-F463 HydrophobicContact CD2-CE1 3.84Å; K459-F463 PolarHBondContact O-N 3.45Å; L460-F463 WeakPolarHBondContact O-CA 3.49Å; L460-F463 VanDerWaalsContact O-CB 3.28Å; L460-F463 WeakPolarHBondContact O-CB 3.29Å; L460-F463 PolarHBondContact O-N 2.93Å; L460-F463 VanDerWaalsContact O-N 3.11Å; K461-F463 PolarHBondContact O-N 2.8Å; F463-R465 PolarHBondContact O-N 3.39Å; F463-K466 WeakPolarHBondContact O-CB 3.34Å; F463-K466 PolarHBondContact O-N 3.15Å; F463-K466 VanDerWaalsContact O-N 3.15Å; F463-F467 HydrophobicContact CD1-CD2 4.37Å; F463-F467 AromaticContact CD1-CE2 3.45Å; F463-F467 HydrophobicContact CD1-CE2 3.45Å; F463-F467 VanDerWaalsContact CD1-CE2 3.45Å; F463-F467 AromaticContact CD1-CZ 3.73Å; F463-F467 HydrophobicContact CD1-CZ 3.73Å; F463-F467 HydrophobicContact CE1-CE1 4.41Å; F463-F467 AromaticContact CE1-CE2 3.4Å; F463-F467 HydrophobicContact CE1-CE2 3.4Å; F463-F467 VanDerWaalsContact CE1-CE2 3.4Å; F463-F467 AromaticContact CE1-CZ 3.26Å; F463-F467 HydrophobicContact CE1-CZ 3.26Å; F463-F467 HydrophobicContact CG-CE2 4.44Å; F463-F467 HydrophobicContact CZ-CE2 4.36Å; F463-F467 AromaticContact CZ-CZ 3.79Å; F463-F467 HydrophobicContact CZ-CZ 3.79Å; F463-F467 PolarHBondContact O-N 3.46Å |
| 464 | A | 90 | Very high | 87.2 | Confident | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.008 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.1 | -43.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L460 K461 K466 F467 I468 L499 I511 | L460-A464 PolarHBondContact O-N 3.09Å; K461-A464 PolarHBondContact O-N 3.17Å; A464-K466 PolarHBondContact O-N 3.16Å; A464-K466 VanDerWaalsContact O-N 3.15Å; A464-F467 PolarHBondContact O-N 3Å; A464-I468 PolarHBondContact O-N 3.19Å; A464-L499 HydrophobicContact CB-CD2 4.36Å; A464-I511 HydrophobicContact CB-CG1 4.05Å |
| 465 | R | 88.1 | Confident | 86.1 | Confident | 112 Ų | 112 | 37.9 Ų | 37.9 | 42% | 0.423 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -55.6 | -33.6 | 175.5 | -77 | -180 | 179.7 | 155.3 | 6.4 | 113.2 | K461 F463 I468 K469 D514 | K461-R465 WeakPolarHBondContact O-CG 3.32Å; K461-R465 PolarHBondContact O-N 3.42Å; F463-R465 PolarHBondContact O-N 3.39Å; R465-I468 PolarHBondContact O-N 3.1Å; R465-K469 WeakPolarHBondContact O-CG 3.27Å; R465-K469 PolarHBondContact O-N 3.28Å; R465-K469 VanDerWaalsContact O-N 3.1Å; R465-D514 IonicContact CZ-OD2 3.24Å; R465-D514 IonicContact NH2-OD2 2.66Å; R465-D514 PolarHBondContact NH2-OD2 2.82Å |
| 466 | K | 86 | Confident | 84.9 | Confident | 22 Ų | 22 | 45.4 Ų | 45.4 | 10% | 0.096 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -71.3 | -39.4 | 177.4 | -71.8 | -173.5 | -166.6 | -171.4 | 0 | 111.9 | L420 V423 D424 S462 F463 A464 I468 K469 L470 | L420-K466 VanDerWaalsContact CA-NZ 3.32Å; L420-K466 HydrophobicContact CD2-CD 3.62Å; L420-K466 PolarHBondContact O-NZ 3.47Å; V423-K466 HydrophobicContact CB-CB 4.43Å; V423-K466 HydrophobicContact CB-CD 3.91Å; V423-K466 HydrophobicContact CG1-CB 3.71Å; V423-K466 HydrophobicContact CG1-CD 4Å; V423-K466 HydrophobicContact CG1-CG 4.2Å; D424-K466 WeakPolarHBondContact OD1-CE 3.45Å; D424-K466 IonicContact OD1-NZ 3.93Å; D424-K466 PolarHBondContact OD1-NZ 3.38Å; D424-K466 IonicContact OD2-NZ 2.67Å; D424-K466 PolarHBondContact OD2-NZ 2.83Å; S462-K466 WeakPolarHBondContact O-CG 3.47Å; S462-K466 PolarHBondContact O-N 3Å; F463-K466 WeakPolarHBondContact O-CB 3.34Å; F463-K466 PolarHBondContact O-N 3.15Å; F463-K466 VanDerWaalsContact O-N 3.15Å; A464-K466 PolarHBondContact O-N 3.16Å; A464-K466 VanDerWaalsContact O-N 3.15Å; K466-I468 VanDerWaalsContact C-N 3.31Å; K466-I468 PolarHBondContact O-N 3.48Å; K466-K469 PolarHBondContact O-N 3.44Å; K466-L470 WeakPolarHBondContact O-CG 3.35Å; K466-L470 PolarHBondContact O-N 3.03Å |
| 467 | F | 88.3 | Confident | 83.6 | Confident | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.009 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.4 | -36.2 | 172 | -60.5 | -36.8 | 0 | 0 | 0 | 112.4 | L438 M441 F463 A464 L470 N471 M498 L499 | L438-F467 HydrophobicContact CD2-CE1 3.81Å; M441-F467 HydrophobicContact CE-CZ 4.25Å; F463-F467 HydrophobicContact CD1-CD2 4.37Å; F463-F467 AromaticContact CD1-CE2 3.45Å; F463-F467 HydrophobicContact CD1-CE2 3.45Å; F463-F467 VanDerWaalsContact CD1-CE2 3.45Å; F463-F467 AromaticContact CD1-CZ 3.73Å; F463-F467 HydrophobicContact CD1-CZ 3.73Å; F463-F467 HydrophobicContact CE1-CE1 4.41Å; F463-F467 AromaticContact CE1-CE2 3.4Å; F463-F467 HydrophobicContact CE1-CE2 3.4Å; F463-F467 VanDerWaalsContact CE1-CE2 3.4Å; F463-F467 AromaticContact CE1-CZ 3.26Å; F463-F467 HydrophobicContact CE1-CZ 3.26Å; F463-F467 HydrophobicContact CG-CE2 4.44Å; F463-F467 HydrophobicContact CZ-CE2 4.36Å; F463-F467 AromaticContact CZ-CZ 3.79Å; F463-F467 HydrophobicContact CZ-CZ 3.79Å; F463-F467 PolarHBondContact O-N 3.46Å; A464-F467 PolarHBondContact O-N 3Å; F467-L470 HydrophobicContact CD1-CD1 4.41Å; F467-L470 PolarHBondContact O-N 3.27Å; F467-N471 WeakPolarHBondContact O-CB 3.4Å; F467-N471 PolarHBondContact O-N 3.43Å; F467-M498 HydrophobicContact CD1-SD 4.26Å; F467-M498 HydrophobicContact CD2-CB 4.07Å; F467-M498 HydrophobicContact CE1-CE 4.2Å; F467-M498 HydrophobicContact CE1-SD 3.74Å; F467-M498 HydrophobicContact CE2-CB 4.06Å; F467-M498 HydrophobicContact CE2-CE 4.49Å; F467-M498 HydrophobicContact CE2-SD 4.2Å; F467-M498 HydrophobicContact CZ-CB 4.49Å; F467-M498 HydrophobicContact CZ-CE 3.78Å; F467-M498 HydrophobicContact CZ-SD 3.69Å; F467-L499 HydrophobicContact CB-CD1 4.1Å; F467-L499 HydrophobicContact CB-CD2 3.76Å; F467-L499 HydrophobicContact CB-CG 3.7Å |
| 468 | I | 89.3 | Confident | 81.9 | Confident | 10 Ų | 10 | 51.2 Ų | 51.2 | 5% | 0.051 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60 | -47.9 | 173.5 | -64.5 | 171.4 | 0 | 0 | 0 | 110.4 | A464 R465 K466 L470 N471 E472 L499 I511 P522 E525 | A464-I468 PolarHBondContact O-N 3.19Å; R465-I468 PolarHBondContact O-N 3.1Å; K466-I468 VanDerWaalsContact C-N 3.31Å; K466-I468 PolarHBondContact O-N 3.48Å; I468-L470 VanDerWaalsContact C-N 3.28Å; I468-L470 PolarHBondContact O-N 3.35Å; I468-N471 WeakPolarHBondContact O-CB 3.49Å; I468-N471 PolarHBondContact O-N 3.32Å; I468-E472 WeakPolarHBondContact O-CG 3.3Å; I468-E472 PolarHBondContact O-N 3.41Å; I468-L499 HydrophobicContact CG1-CD1 3.95Å; I468-L499 HydrophobicContact CG1-CD2 3.76Å; I468-I511 HydrophobicContact CD1-CG2 3.67Å; I468-P522 HydrophobicContact CG2-CB 3.56Å; I468-P522 HydrophobicContact CG2-CG 3.87Å; I468-E525 HydrophobicContact CD1-CG 4.26Å |
| 469 | K | 85.9 | Confident | 80.5 | Confident | 140 Ų | 140 | 52.4 Ų | 52.4 | 61% | 0.609 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -57.9 | -39.8 | 175.5 | -71.1 | 179.9 | 179.6 | -175.5 | 0 | 112.6 | R465 K466 N471 E472 F473 | R465-K469 WeakPolarHBondContact O-CG 3.27Å; R465-K469 PolarHBondContact O-N 3.28Å; R465-K469 VanDerWaalsContact O-N 3.1Å; K466-K469 PolarHBondContact O-N 3.44Å; K469-N471 VanDerWaalsContact C-N 3.32Å; K469-E472 PolarHBondContact O-N 3.49Å; K469-F473 PolarHBondContact O-N 3.2Å |
| 470 | L | 84.7 | Confident | 79.5 | Confident | 12 Ų | 12 | 51.3 Ų | 51.3 | 6% | 0.063 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -68.8 | -30.2 | 175.7 | -67.1 | -178.8 | 0 | 0 | 0 | 113 | V423 L434 L438 K466 F467 I468 E472 P474 | V423-L470 HydrophobicContact CG1-CD1 4.03Å; V423-L470 HydrophobicContact CG1-CD2 4.5Å; V423-L470 HydrophobicContact CG1-CG 4.28Å; L434-L470 HydrophobicContact CD2-CD1 4.09Å; L434-L470 HydrophobicContact CD2-CD2 3.51Å; L434-L470 HydrophobicContact CD2-CG 4.46Å; L438-L470 HydrophobicContact CD1-CD1 3.88Å; K466-L470 WeakPolarHBondContact O-CG 3.35Å; K466-L470 PolarHBondContact O-N 3.03Å; F467-L470 HydrophobicContact CD1-CD1 4.41Å; F467-L470 PolarHBondContact O-N 3.27Å; I468-L470 VanDerWaalsContact C-N 3.28Å; I468-L470 PolarHBondContact O-N 3.35Å; L470-E472 VanDerWaalsContact C-N 3.32Å; L470-P474 WeakPolarHBondContact O-CD 3.42Å |
| 471 | N | 88.2 | Confident | 78.7 | Confident | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -74.3 | -26 | 175.7 | -158.5 | -113.7 | 0 | 0 | 0 | 112.3 | F467 I468 K469 F492 S495 L499 F523 | F467-N471 WeakPolarHBondContact O-CB 3.4Å; F467-N471 PolarHBondContact O-N 3.43Å; I468-N471 WeakPolarHBondContact O-CB 3.49Å; I468-N471 PolarHBondContact O-N 3.32Å; K469-N471 VanDerWaalsContact C-N 3.32Å; N471-F492 VanDerWaalsContact ND2-CD2 3.32Å; N471-F492 WeakPolarHBondContact ND2-CD2 3.42Å; N471-F492 VanDerWaalsContact ND2-CE2 3.34Å; N471-F492 WeakPolarHBondContact ND2-CE2 3.28Å; N471-F492 PolarHBondContact ND2-O 3.28Å; N471-F492 VanDerWaalsContact ND2-O 3.11Å; N471-F492 WeakPolarHBondContact O-CD2 3.33Å; N471-F492 WeakPolarHBondContact OD1-CE2 3.33Å; N471-S495 PolarHBondContact ND2-OG 3.12Å; N471-L499 HydrophobicContact CB-CD1 4.35Å; N471-F523 WeakPolarHBondContact OD1-CD1 3.47Å |
| 472 | E | 85 | Confident | 78.2 | Confident | 44 Ų | 44 | 54.5 Ų | 54.5 | 21% | 0.206 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -80.9 | -33.2 | 174.5 | -69.2 | -64.8 | 134 | 0 | 0 | 113.4 | I468 K469 L470 P474 K475 P522 F523 | I468-E472 WeakPolarHBondContact O-CG 3.3Å; I468-E472 PolarHBondContact O-N 3.41Å; K469-E472 PolarHBondContact O-N 3.49Å; L470-E472 VanDerWaalsContact C-N 3.32Å; E472-P474 VanDerWaalsContact C-CD 3.47Å; E472-P474 VanDerWaalsContact C-N 3.34Å; E472-K475 VanDerWaalsContact CD-NZ 3.27Å; E472-K475 VanDerWaalsContact O-CB 3.3Å; E472-K475 WeakPolarHBondContact O-CB 3.4Å; E472-K475 VanDerWaalsContact O-CG 3.3Å; E472-K475 WeakPolarHBondContact O-CG 3.39Å; E472-K475 PolarHBondContact O-N 2.9Å; E472-K475 IonicContact OE1-NZ 2.75Å; E472-K475 PolarHBondContact OE1-NZ 3.38Å; E472-K475 VanDerWaalsContact OE1-NZ 3.14Å; E472-K475 VanDerWaalsContact OE2-CD 3.27Å; E472-K475 WeakPolarHBondContact OE2-CD 3.47Å; E472-K475 WeakPolarHBondContact OE2-CE 3.2Å; E472-K475 IonicContact OE2-NZ 3.72Å; E472-K475 PolarHBondContact OE2-NZ 2.88Å; E472-P522 HydrophobicContact CG-CB 4.28Å; E472-F523 WeakPolarHBondContact OE1-CB 3.22Å; E472-F523 PolarHBondContact OE1-N 2.77Å |
| 473 | F | 74.5 | Confident | 78 | Confident | 91 Ų | 91 | 58.4 Ų | 58.4 | 40% | 0.399 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -51.3 | -40.7 | -177.8 | 179.9 | -96 | 0 | 0 | 0 | 114.6 | K469 K475 H476 | K469-F473 PolarHBondContact O-N 3.2Å; F473-K475 PolarHBondContact O-N 2.89Å; F473-H476 PolarHBondContact O-N 2.89Å |
| 474 | P | 67.9 | Low | 77.7 | Confident | 3 Ų | 3 | 60.9 Ų | 60.9 | 2% | 0.019 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -62.5 | -5.7 | 176 | -29.1 | 38.1 | 0 | 0 | 0 | 117.2 | L470 E472 H476 R488 F492 | L470-P474 WeakPolarHBondContact O-CD 3.42Å; E472-P474 VanDerWaalsContact C-CD 3.47Å; E472-P474 VanDerWaalsContact C-N 3.34Å; P474-H476 VanDerWaalsContact C-N 3.34Å; P474-R488 HydrophobicContact CB-CG 3.66Å; P474-R488 HydrophobicContact CG-CG 4.06Å; P474-R488 PolarHBondContact O-NH1 3.44Å; P474-F492 HydrophobicContact CB-CB 4.39Å; P474-F492 HydrophobicContact CB-CD2 4.34Å; P474-F492 HydrophobicContact CG-CB 3.87Å; P474-F492 HydrophobicContact CG-CD2 4.14Å; P474-F492 HydrophobicContact CG-CG 4.5Å |
| 475 | K | 70.3 | Confident | 77.4 | Confident | 65 Ų | 65 | 60.8 Ų | 60.8 | 28% | 0.283 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -71.8 | -25.7 | 177.3 | -68.4 | -174.1 | 175.2 | 174.8 | 0 | 113.2 | E472 F473 I477 | E472-K475 VanDerWaalsContact CD-NZ 3.27Å; E472-K475 VanDerWaalsContact O-CB 3.3Å; E472-K475 WeakPolarHBondContact O-CB 3.4Å; E472-K475 VanDerWaalsContact O-CG 3.3Å; E472-K475 WeakPolarHBondContact O-CG 3.39Å; E472-K475 PolarHBondContact O-N 2.9Å; E472-K475 IonicContact OE1-NZ 2.75Å; E472-K475 PolarHBondContact OE1-NZ 3.38Å; E472-K475 VanDerWaalsContact OE1-NZ 3.14Å; E472-K475 VanDerWaalsContact OE2-CD 3.27Å; E472-K475 WeakPolarHBondContact OE2-CD 3.47Å; E472-K475 WeakPolarHBondContact OE2-CE 3.2Å; E472-K475 IonicContact OE2-NZ 3.72Å; E472-K475 PolarHBondContact OE2-NZ 2.88Å; F473-K475 PolarHBondContact O-N 2.89Å; K475-I477 PolarHBondContact O-N 3.37Å |
| 476 | H | 67.4 | Low | 77.3 | Confident | 162 Ų | 162 | 56.4 Ų | 56.4 | 75% | 0.75 | 32% | 0.323 | S | S | * | . | trans | -90.5 | 100.2 | 179.5 | -60.9 | -68.1 | 0 | 0 | 0 | 110.5 | F473 P474 | F473-H476 PolarHBondContact O-N 2.89Å; P474-H476 VanDerWaalsContact C-N 3.34Å | ||
| 477 | I | 64.7 | Low | 77.3 | Confident | 54 Ų | 54 | 55.9 Ų | 55.9 | 28% | 0.277 | 32% | 0.322 | S | S | . | . | trans | -96.1 | 121.3 | 179.1 | -58.4 | 170.7 | 0 | 0 | 0 | 108.9 | K475 Q570 K572 | K475-I477 PolarHBondContact O-N 3.37Å; I477-Q570 HydrophobicContact CG2-CB 4.47Å; I477-Q570 HydrophobicContact CG2-CG 4.05Å; I477-K572 HydrophobicContact CD1-CG 3.58Å | ||
| 478 | S | 56.8 | Low | 77.3 | Confident | 112 Ų | 112 | 56.7 Ų | 56.7 | 78% | 0.783 | 33% | 0.325 | S | S | * | . | trans | -142.4 | 121.3 | 170 | -170.2 | 0 | 0 | 0 | 0 | 111.2 | E480 | S478-E480 PolarHBondContact O-N 3.46Å; S478-E480 VanDerWaalsContact O-N 3.11Å | ||
| 479 | G | 59.6 | Low | 77.2 | Confident | 83 Ų | 83 | 56.4 Ų | 56.4 | 86% | 0.856 | 32% | 0.324 | S | S | * | . | S | Bend | trans | 44.8 | 46.7 | 164.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||
| 480 | E | 68.4 | Low | 77.3 | Confident | 33 Ų | 33 | 50 Ų | 50 | 15% | 0.154 | 30% | 0.296 | C | S | . | . | trans | -90.7 | 137.9 | -168.3 | 124.1 | -171.7 | 140.7 | 0 | 0 | 113.7 | S478 S484 A485 R488 Q570 | S478-E480 PolarHBondContact O-N 3.46Å; S478-E480 VanDerWaalsContact O-N 3.11Å; E480-S484 WeakPolarHBondContact CB-OG 3.45Å; E480-S484 WeakPolarHBondContact CG-OG 3.38Å; E480-A485 HydrophobicContact CG-CB 3.74Å; E480-A485 WeakPolarHBondContact OE1-CA 3.29Å; E480-A485 WeakPolarHBondContact OE1-CB 3.43Å; E480-A485 WeakPolarHBondContact OE2-CA 3.33Å; E480-R488 IonicContact OE1-CZ 2.72Å; E480-R488 IonicContact OE1-NE 3.64Å; E480-R488 IonicContact OE1-NH2 3.15Å; E480-R488 PolarHBondContact OE1-NH2 3.29Å; E480-R488 IonicContact OE2-CZ 2.65Å; E480-R488 IonicContact OE2-NE 3.78Å; E480-R488 PolarHBondContact OE2-NE 3.33Å; E480-R488 IonicContact OE2-NH2 2.96Å; E480-R488 PolarHBondContact OE2-NH2 3.28Å; E480-Q570 PolarHBondContact OE1-N 2.81Å | ||
| 481 | G | 75 | Confident | 77.5 | Confident | 42 Ų | 42 | 49.6 Ų | 49.6 | 43% | 0.433 | 29% | 0.294 | S | S | . | . | trans | -84.4 | 169.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | K483 S484 A485 | G481-K483 VanDerWaalsContact C-N 3.29Å; G481-K483 PolarHBondContact O-N 2.85Å; G481-S484 PolarHBondContact N-OG 3.43Å; G481-S484 PolarHBondContact O-N 2.93Å; G481-S484 PolarHBondContact O-OG 3.26Å; G481-A485 PolarHBondContact O-N 3.48Å; G481-A485 VanDerWaalsContact O-N 3.07Å | ||
| 482 | S | 78.8 | Confident | 77.6 | Confident | 98 Ų | 98 | 49.6 Ų | 49.6 | 69% | 0.685 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -55.4 | -38.4 | -176.5 | -172 | 0 | 0 | 0 | 0 | 114 | A485 S486 | S482-A485 WeakPolarHBondContact O-CB 3.44Å; S482-A485 PolarHBondContact O-N 3.41Å; S482-S486 PolarHBondContact O-N 3.05Å |
| 483 | K | 82.3 | Confident | 77.9 | Confident | 138 Ų | 138 | 47.5 Ų | 47.5 | 60% | 0.6 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -68.1 | -44.9 | 179 | -165.1 | -171.4 | -177.5 | -151.8 | 0 | 112.5 | E432 G481 A485 S486 V487 | E432-K483 WeakPolarHBondContact OE1-CE 3.29Å; E432-K483 IonicContact OE1-NZ 2.96Å; E432-K483 PolarHBondContact OE1-NZ 3.49Å; E432-K483 IonicContact OE2-NZ 2.73Å; E432-K483 PolarHBondContact OE2-NZ 3.29Å; G481-K483 VanDerWaalsContact C-N 3.29Å; G481-K483 PolarHBondContact O-N 2.85Å; K483-A485 VanDerWaalsContact C-N 3.3Å; K483-A485 PolarHBondContact O-N 3.41Å; K483-S486 WeakPolarHBondContact O-CB 3.4Å; K483-S486 PolarHBondContact O-N 3.29Å; K483-V487 WeakPolarHBondContact O-CG2 3.43Å; K483-V487 PolarHBondContact O-N 2.95Å; K483-V487 VanDerWaalsContact O-N 3.12Å |
| 484 | S | 81.1 | Confident | 78.7 | Confident | 53 Ų | 53 | 43.2 Ų | 43.2 | 37% | 0.371 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -65.5 | -34.7 | 177.5 | 48.3 | 0 | 0 | 0 | 0 | 112 | E480 G481 V487 R488 | E480-S484 WeakPolarHBondContact CB-OG 3.45Å; E480-S484 WeakPolarHBondContact CG-OG 3.38Å; G481-S484 PolarHBondContact N-OG 3.43Å; G481-S484 PolarHBondContact O-N 2.93Å; G481-S484 PolarHBondContact O-OG 3.26Å; S484-V487 PolarHBondContact O-N 3.4Å; S484-R488 WeakPolarHBondContact O-CB 3.46Å; S484-R488 PolarHBondContact O-N 3.29Å |
| 485 | A | 83.8 | Confident | 79.9 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.9 | -44.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | E480 G481 S482 K483 R488 A489 L568 V569 | E480-A485 HydrophobicContact CG-CB 3.74Å; E480-A485 WeakPolarHBondContact OE1-CA 3.29Å; E480-A485 WeakPolarHBondContact OE1-CB 3.43Å; E480-A485 WeakPolarHBondContact OE2-CA 3.33Å; G481-A485 PolarHBondContact O-N 3.48Å; G481-A485 VanDerWaalsContact O-N 3.07Å; S482-A485 WeakPolarHBondContact O-CB 3.44Å; S482-A485 PolarHBondContact O-N 3.41Å; K483-A485 VanDerWaalsContact C-N 3.3Å; K483-A485 PolarHBondContact O-N 3.41Å; A485-R488 PolarHBondContact O-N 2.77Å; A485-A489 WeakPolarHBondContact O-CB 3.27Å; A485-A489 PolarHBondContact O-N 3.05Å; A485-L568 HydrophobicContact CB-CB 4.24Å; A485-V569 HydrophobicContact CB-CB 4.43Å; A485-V569 HydrophobicContact CB-CG2 3.88Å |
| 486 | S | 85.8 | Confident | 81 | Confident | 20 Ų | 20 | 40 Ų | 40 | 14% | 0.14 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.2 | -49.5 | 176.6 | -175.5 | 0 | 0 | 0 | 0 | 111.6 | S482 K483 R488 A489 Q490 M655 | S482-S486 PolarHBondContact O-N 3.05Å; K483-S486 WeakPolarHBondContact O-CB 3.4Å; K483-S486 PolarHBondContact O-N 3.29Å; S486-R488 VanDerWaalsContact C-N 3.33Å; S486-R488 PolarHBondContact O-N 3.43Å; S486-A489 PolarHBondContact O-N 3.24Å; S486-Q490 WeakPolarHBondContact O-CG 3.34Å; S486-Q490 PolarHBondContact O-N 3.19Å; S486-Q490 PolarHBondContact O-OE1 3.17Å; S486-Q490 PolarHBondContact OG-OE1 2.88Å; S486-M655 WeakPolarHBondContact OG-CE 3.3Å; S486-M655 PolarHBondContact OG-SD 2.68Å |
| 487 | V | 86.6 | Confident | 82.2 | Confident | 11 Ų | 11 | 32.3 Ų | 32.3 | 7% | 0.067 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.9 | -43.7 | -179.4 | 174.4 | 0 | 0 | 0 | 0 | 110.9 | P431 E432 L435 K483 S484 Q490 L491 | P431-V487 HydrophobicContact CB-CG1 3.93Å; E432-V487 HydrophobicContact CG-CG2 3.98Å; L435-V487 HydrophobicContact CB-CG1 4.36Å; L435-V487 HydrophobicContact CD2-CB 4.35Å; L435-V487 HydrophobicContact CD2-CG1 4.07Å; L435-V487 HydrophobicContact CD2-CG2 4.18Å; K483-V487 WeakPolarHBondContact O-CG2 3.43Å; K483-V487 PolarHBondContact O-N 2.95Å; K483-V487 VanDerWaalsContact O-N 3.12Å; S484-V487 PolarHBondContact O-N 3.4Å; V487-Q490 PolarHBondContact O-N 3.32Å; V487-L491 HydrophobicContact CG1-CD1 4Å; V487-L491 HydrophobicContact CG1-CG 4.39Å; V487-L491 WeakPolarHBondContact O-CB 3.27Å; V487-L491 WeakPolarHBondContact O-CG 3.29Å; V487-L491 PolarHBondContact O-N 3.47Å |
| 488 | R | 86.6 | Confident | 83.6 | Confident | 19 Ų | 19 | 29.7 Ų | 29.7 | 7% | 0.072 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.5 | -43 | 177.3 | -177.4 | 174.7 | 60 | 76.6 | 9.6 | 112.3 | P474 E480 S484 A485 S486 F492 L568 V571 | P474-R488 HydrophobicContact CB-CG 3.66Å; P474-R488 HydrophobicContact CG-CG 4.06Å; P474-R488 PolarHBondContact O-NH1 3.44Å; E480-R488 IonicContact OE1-CZ 2.72Å; E480-R488 IonicContact OE1-NE 3.64Å; E480-R488 IonicContact OE1-NH2 3.15Å; E480-R488 PolarHBondContact OE1-NH2 3.29Å; E480-R488 IonicContact OE2-CZ 2.65Å; E480-R488 IonicContact OE2-NE 3.78Å; E480-R488 PolarHBondContact OE2-NE 3.33Å; E480-R488 IonicContact OE2-NH2 2.96Å; E480-R488 PolarHBondContact OE2-NH2 3.28Å; S484-R488 WeakPolarHBondContact O-CB 3.46Å; S484-R488 PolarHBondContact O-N 3.29Å; A485-R488 PolarHBondContact O-N 2.77Å; S486-R488 VanDerWaalsContact C-N 3.33Å; S486-R488 PolarHBondContact O-N 3.43Å; R488-F492 PolarHBondContact O-N 2.73Å; R488-F492 VanDerWaalsContact O-N 3.09Å; R488-L568 PolarHBondContact NH2-O 3.49Å; R488-V571 PolarHBondContact NH1-O 3.42Å; R488-V571 PolarHBondContact NH2-O 3.48Å |
| 489 | A | 87.5 | Confident | 85.3 | Confident | 3 Ų | 3 | 24.4 Ų | 24.4 | 3% | 0.025 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.2 | -43.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | A485 S486 F492 D493 W573 | A485-A489 WeakPolarHBondContact O-CB 3.27Å; A485-A489 PolarHBondContact O-N 3.05Å; S486-A489 PolarHBondContact O-N 3.24Å; A489-F492 WeakPolarHBondContact O-CB 2.98Å; A489-F492 PolarHBondContact O-N 3.04Å; A489-D493 WeakPolarHBondContact O-CB 3.08Å; A489-D493 PolarHBondContact O-N 2.9Å; A489-W573 HydrophobicContact CB-CZ2 3.53Å; A489-W573 VanDerWaalsContact CB-NE1 3.35Å |
| 490 | Q | 88.8 | Confident | 87 | Confident | 5 Ų | 5 | 20.4 Ų | 20.4 | 2% | 0.023 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -71 | -39.2 | -179.7 | -68.6 | 170.3 | -56.9 | 0 | 0 | 112.6 | L435 S486 V487 F492 D493 I494 Q656 | L435-Q490 HydrophobicContact CD1-CB 3.67Å; L435-Q490 HydrophobicContact CD2-CB 4.16Å; S486-Q490 WeakPolarHBondContact O-CG 3.34Å; S486-Q490 PolarHBondContact O-N 3.19Å; S486-Q490 PolarHBondContact O-OE1 3.17Å; S486-Q490 PolarHBondContact OG-OE1 2.88Å; V487-Q490 PolarHBondContact O-N 3.32Å; Q490-F492 VanDerWaalsContact C-N 3.33Å; Q490-F492 PolarHBondContact O-N 3.32Å; Q490-D493 PolarHBondContact O-N 3.48Å; Q490-I494 WeakPolarHBondContact O-CB 3.31Å; Q490-I494 VanDerWaalsContact O-CG1 3.27Å; Q490-I494 WeakPolarHBondContact O-CG1 3.3Å; Q490-I494 PolarHBondContact O-N 3.22Å; Q490-Q656 PolarHBondContact NE2-O 3Å |
| 491 | L | 88.8 | Confident | 88.1 | Confident | 5 Ų | 5 | 19.1 Ų | 19.1 | 3% | 0.026 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.5 | -42.3 | 173.7 | -75 | 173.9 | 0 | 0 | 0 | 111.6 | P431 L434 L435 L438 V487 S495 | P431-L491 HydrophobicContact CB-CD1 4.14Å; L434-L491 HydrophobicContact CD2-CD2 4.24Å; L434-L491 HydrophobicContact CG-CD2 4.16Å; L435-L491 HydrophobicContact CB-CD2 3.91Å; L435-L491 HydrophobicContact CB-CG 4.28Å; L435-L491 HydrophobicContact CD1-CD2 4.12Å; L435-L491 HydrophobicContact CD1-CG 4.32Å; L438-L491 HydrophobicContact CD1-CD2 3.82Å; V487-L491 HydrophobicContact CG1-CD1 4Å; V487-L491 HydrophobicContact CG1-CG 4.39Å; V487-L491 WeakPolarHBondContact O-CB 3.27Å; V487-L491 WeakPolarHBondContact O-CG 3.29Å; V487-L491 PolarHBondContact O-N 3.47Å; L491-S495 VanDerWaalsContact O-CB 3.28Å; L491-S495 WeakPolarHBondContact O-CB 3.29Å; L491-S495 PolarHBondContact O-N 2.99Å; L491-S495 VanDerWaalsContact O-N 3.08Å; L491-S495 PolarHBondContact O-OG 2.97Å |
| 492 | F | 90.3 | Very high | 88.8 | Confident | 1 Ų | 1 | 17.1 Ų | 17.1 | 0% | 0.004 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -59 | -52.1 | 172.5 | -177.5 | -93.2 | 0 | 0 | 0 | 111 | N471 P474 R488 A489 Q490 S495 F496 F523 W573 H574 | N471-F492 VanDerWaalsContact ND2-CD2 3.32Å; N471-F492 WeakPolarHBondContact ND2-CD2 3.42Å; N471-F492 VanDerWaalsContact ND2-CE2 3.34Å; N471-F492 WeakPolarHBondContact ND2-CE2 3.28Å; N471-F492 PolarHBondContact ND2-O 3.28Å; N471-F492 VanDerWaalsContact ND2-O 3.11Å; N471-F492 WeakPolarHBondContact O-CD2 3.33Å; N471-F492 WeakPolarHBondContact OD1-CE2 3.33Å; P474-F492 HydrophobicContact CB-CB 4.39Å; P474-F492 HydrophobicContact CB-CD2 4.34Å; P474-F492 HydrophobicContact CG-CB 3.87Å; P474-F492 HydrophobicContact CG-CD2 4.14Å; P474-F492 HydrophobicContact CG-CG 4.5Å; R488-F492 PolarHBondContact O-N 2.73Å; R488-F492 VanDerWaalsContact O-N 3.09Å; A489-F492 WeakPolarHBondContact O-CB 2.98Å; A489-F492 PolarHBondContact O-N 3.04Å; Q490-F492 VanDerWaalsContact C-N 3.33Å; Q490-F492 PolarHBondContact O-N 3.32Å; F492-S495 PolarHBondContact O-N 2.9Å; F492-S495 PolarHBondContact O-OG 2.85Å; F492-F496 HydrophobicContact CE1-CD2 4.44Å; F492-F496 HydrophobicContact CZ-CD2 4.29Å; F492-F496 VanDerWaalsContact O-CB 3.29Å; F492-F496 WeakPolarHBondContact O-CB 3.31Å; F492-F496 PolarHBondContact O-N 3.15Å; F492-F523 HydrophobicContact CE2-CD1 4.4Å; F492-F523 HydrophobicContact CE2-CE1 4.12Å; F492-F523 HydrophobicContact CZ-CD1 4.48Å; F492-F523 AromaticContact CZ-CE1 3.77Å; F492-F523 HydrophobicContact CZ-CE1 3.77Å; F492-F523 HydrophobicContact CZ-CZ 4.43Å; F492-W573 HydrophobicContact CB-CB 4.45Å; F492-W573 HydrophobicContact CD1-CB 3.43Å; F492-W573 VanDerWaalsContact CD1-CB 3.43Å; F492-W573 HydrophobicContact CD1-CG 4.07Å; F492-W573 HydrophobicContact CD2-CB 4.04Å; F492-W573 HydrophobicContact CE1-CB 3.54Å; F492-W573 HydrophobicContact CE2-CB 4.13Å; F492-W573 HydrophobicContact CG-CB 3.69Å; F492-W573 HydrophobicContact CG-CG 4.26Å; F492-W573 HydrophobicContact CZ-CB 3.89Å; F492-H574 HydrophobicContact CE2-CB 4.39Å |
| 493 | D | 91 | Very high | 89.3 | Confident | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -64.8 | -46.3 | -173.6 | -161.8 | 44.5 | 0 | 0 | 0 | 112.2 | A489 Q490 F496 L497 V612 C613 S614 R661 | A489-D493 WeakPolarHBondContact O-CB 3.08Å; A489-D493 PolarHBondContact O-N 2.9Å; Q490-D493 PolarHBondContact O-N 3.48Å; D493-F496 PolarHBondContact O-N 3.49Å; D493-L497 WeakPolarHBondContact O-CB 3.5Å; D493-L497 WeakPolarHBondContact O-CG 3.2Å; D493-L497 PolarHBondContact O-N 3.23Å; D493-V612 HydrophobicContact CB-CG1 4.12Å; D493-V612 VanDerWaalsContact OD1-CG1 3.22Å; D493-V612 WeakPolarHBondContact OD1-CG1 3.49Å; D493-C613 PolarHBondContact OD1-N 2.93Å; D493-C613 VanDerWaalsContact OD1-N 3.08Å; D493-C613 PolarHBondContact OD2-N 3.28Å; D493-S614 WeakPolarHBondContact OD1-CB 3.4Å; D493-S614 PolarHBondContact OD1-N 3.49Å; D493-S614 PolarHBondContact OD1-OG 2.91Å; D493-R661 WeakPolarHBondContact OD2-CD 3.46Å; D493-R661 IonicContact OD2-CZ 2.96Å; D493-R661 IonicContact OD2-NE 3.99Å; D493-R661 IonicContact OD2-NH1 3.33Å; D493-R661 PolarHBondContact OD2-NH1 2.95Å |
| 494 | I | 92.1 | Very high | 89.5 | Confident | 1 Ų | 1 | 7.2 Ų | 7.2 | 1% | 0.005 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -64.2 | -46.1 | 178.5 | -66.8 | 177 | 0 | 0 | 0 | 111 | L435 L438 L442 Q490 F496 L497 M498 R661 | L435-I494 HydrophobicContact CD1-CD1 3.76Å; L438-I494 HydrophobicContact CB-CG2 3.92Å; L442-I494 HydrophobicContact CD1-CB 4.34Å; L442-I494 HydrophobicContact CD1-CD1 4.02Å; L442-I494 HydrophobicContact CD1-CG1 3.81Å; L442-I494 HydrophobicContact CD1-CG2 3.8Å; L442-I494 HydrophobicContact CD2-CG2 4.04Å; L442-I494 HydrophobicContact CG-CG2 4.18Å; Q490-I494 WeakPolarHBondContact O-CB 3.31Å; Q490-I494 VanDerWaalsContact O-CG1 3.27Å; Q490-I494 WeakPolarHBondContact O-CG1 3.3Å; Q490-I494 PolarHBondContact O-N 3.22Å; I494-F496 VanDerWaalsContact C-N 3.32Å; I494-F496 PolarHBondContact O-N 3.41Å; I494-L497 PolarHBondContact O-N 3.39Å; I494-M498 HydrophobicContact CG2-CG 4.26Å; I494-M498 HydrophobicContact CG2-SD 3.71Å; I494-M498 WeakPolarHBondContact O-CB 3.28Å; I494-M498 VanDerWaalsContact O-CG 3.27Å; I494-M498 WeakPolarHBondContact O-CG 3.49Å; I494-M498 PolarHBondContact O-N 3.17Å; I494-R661 HydrophobicContact CG1-CG 4.01Å |
| 495 | S | 91.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 5.5 Ų | 5.5 | 0% | 0 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -63.2 | -38.9 | 178.2 | 57.9 | 0 | 0 | 0 | 0 | 112 | N471 L491 F492 L499 | N471-S495 PolarHBondContact ND2-OG 3.12Å; L491-S495 VanDerWaalsContact O-CB 3.28Å; L491-S495 WeakPolarHBondContact O-CB 3.29Å; L491-S495 PolarHBondContact O-N 2.99Å; L491-S495 VanDerWaalsContact O-N 3.08Å; L491-S495 PolarHBondContact O-OG 2.97Å; F492-S495 PolarHBondContact O-N 2.9Å; F492-S495 PolarHBondContact O-OG 2.85Å; S495-L499 WeakPolarHBondContact O-CB 3.35Å; S495-L499 WeakPolarHBondContact O-CD1 3.38Å; S495-L499 VanDerWaalsContact O-CG 3.24Å; S495-L499 WeakPolarHBondContact O-CG 3.27Å; S495-L499 PolarHBondContact O-N 3.43Å |
| 496 | F | 93.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 6.8 Ų | 6.8 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -63.6 | -46.4 | 175.2 | -169.5 | -85.4 | 0 | 0 | 0 | 112 | F492 D493 I494 L499 C500 F523 F524 W527 I617 | F492-F496 HydrophobicContact CE1-CD2 4.44Å; F492-F496 HydrophobicContact CZ-CD2 4.29Å; F492-F496 VanDerWaalsContact O-CB 3.29Å; F492-F496 WeakPolarHBondContact O-CB 3.31Å; F492-F496 PolarHBondContact O-N 3.15Å; D493-F496 PolarHBondContact O-N 3.49Å; I494-F496 VanDerWaalsContact C-N 3.32Å; I494-F496 PolarHBondContact O-N 3.41Å; F496-L499 PolarHBondContact O-N 3.36Å; F496-C500 WeakPolarHBondContact CE1-SG 3.35Å; F496-C500 PolarHBondContact O-N 3.24Å; F496-C500 PolarHBondContact O-SG 2.82Å; F496-F523 HydrophobicContact CD2-CE1 4.09Å; F496-F523 AromaticContact CE2-CE1 3.87Å; F496-F523 HydrophobicContact CE2-CE1 3.87Å; F496-F523 HydrophobicContact CE2-CZ 4.01Å; F496-F524 AromaticContact CD2-CD2 3.69Å; F496-F524 HydrophobicContact CD2-CD2 3.69Å; F496-F524 AromaticContact CD2-CE2 3.92Å; F496-F524 HydrophobicContact CD2-CE2 3.92Å; F496-F524 AromaticContact CE2-CD2 3.71Å; F496-F524 HydrophobicContact CE2-CD2 3.71Å; F496-F524 AromaticContact CE2-CE2 3.85Å; F496-F524 HydrophobicContact CE2-CE2 3.85Å; F496-F524 HydrophobicContact CG-CD2 4.48Å; F496-F524 HydrophobicContact CG-CE2 4.36Å; F496-F524 HydrophobicContact CZ-CE2 4.23Å; F496-W527 HydrophobicContact CE1-CH2 4.13Å; F496-W527 HydrophobicContact CE1-CZ2 4.36Å; F496-W527 HydrophobicContact CE1-CZ3 4.36Å; F496-W527 HydrophobicContact CE2-CD2 4.2Å; F496-W527 HydrophobicContact CE2-CE3 4.18Å; F496-W527 HydrophobicContact CE2-CZ3 4.48Å; F496-W527 AromaticContact CZ-CD2 3.87Å; F496-W527 HydrophobicContact CZ-CD2 3.87Å; F496-W527 AromaticContact CZ-CE2 3.79Å; F496-W527 AromaticContact CZ-CE3 3.83Å; F496-W527 HydrophobicContact CZ-CE3 3.83Å; F496-W527 AromaticContact CZ-CH2 3.74Å; F496-W527 HydrophobicContact CZ-CH2 3.74Å; F496-W527 AromaticContact CZ-CZ2 3.76Å; F496-W527 HydrophobicContact CZ-CZ2 3.76Å; F496-W527 AromaticContact CZ-CZ3 3.77Å; F496-W527 HydrophobicContact CZ-CZ3 3.77Å; F496-I617 HydrophobicContact CE1-CB 4.33Å; F496-I617 HydrophobicContact CE1-CG2 4.06Å |
| 497 | L | 93.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 6.6 Ų | 6.6 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -60 | -48.6 | 176 | -72.8 | 169 | 0 | 0 | 0 | 111.5 | D493 I494 L499 C500 H501 C613 I617 R661 I664 M665 I668 | D493-L497 WeakPolarHBondContact O-CB 3.5Å; D493-L497 WeakPolarHBondContact O-CG 3.2Å; D493-L497 PolarHBondContact O-N 3.23Å; I494-L497 PolarHBondContact O-N 3.39Å; L497-L499 VanDerWaalsContact C-N 3.31Å; L497-L499 PolarHBondContact O-N 3.4Å; L497-C500 PolarHBondContact O-N 2.92Å; L497-H501 WeakPolarHBondContact O-CB 3.46Å; L497-H501 PolarHBondContact O-N 2.94Å; L497-C613 HydrophobicContact CD1-CB 3.92Å; L497-C613 HydrophobicContact CD2-CB 3.85Å; L497-C613 HydrophobicContact CG-CB 4.27Å; L497-I617 HydrophobicContact CD2-CD1 3.31Å; L497-R661 HydrophobicContact CD1-CB 3.74Å; L497-R661 HydrophobicContact CD1-CG 3.73Å; L497-I664 HydrophobicContact CB-CG2 4.16Å; L497-M665 HydrophobicContact CD2-CB 4.03Å; L497-I668 HydrophobicContact CB-CD1 4.44Å; L497-I668 HydrophobicContact CD2-CD1 3.96Å; L497-I668 WeakPolarHBondContact O-CD1 3.13Å |
| 498 | M | 93.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 6.8 Ų | 6.8 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -59.7 | -41.7 | 178.6 | -73.2 | 172.6 | 124.6 | 0 | 0 | 111.8 | L438 M441 L442 L447 F467 I494 H501 V502 | L438-M498 HydrophobicContact CD2-CE 4.25Å; L438-M498 HydrophobicContact CD2-SD 4.11Å; M441-M498 HydrophobicContact CB-CE 3.98Å; M441-M498 HydrophobicContact CE-CE 3.47Å; M441-M498 VanDerWaalsContact CE-CE 3.47Å; M441-M498 HydrophobicContact SD-CE 4.13Å; L442-M498 HydrophobicContact CD2-CE 3.84Å; L442-M498 HydrophobicContact CD2-CG 3.81Å; L442-M498 HydrophobicContact CD2-SD 4.16Å; L447-M498 HydrophobicContact CD1-CE 3.5Å; L447-M498 VanDerWaalsContact CD1-CE 3.5Å; L447-M498 HydrophobicContact CD1-CG 4.37Å; L447-M498 HydrophobicContact CD2-CG 4.23Å; F467-M498 HydrophobicContact CD1-SD 4.26Å; F467-M498 HydrophobicContact CD2-CB 4.07Å; F467-M498 HydrophobicContact CE1-CE 4.2Å; F467-M498 HydrophobicContact CE1-SD 3.74Å; F467-M498 HydrophobicContact CE2-CB 4.06Å; F467-M498 HydrophobicContact CE2-CE 4.49Å; F467-M498 HydrophobicContact CE2-SD 4.2Å; F467-M498 HydrophobicContact CZ-CB 4.49Å; F467-M498 HydrophobicContact CZ-CE 3.78Å; F467-M498 HydrophobicContact CZ-SD 3.69Å; I494-M498 HydrophobicContact CG2-CG 4.26Å; I494-M498 HydrophobicContact CG2-SD 3.71Å; I494-M498 WeakPolarHBondContact O-CB 3.28Å; I494-M498 VanDerWaalsContact O-CG 3.27Å; I494-M498 WeakPolarHBondContact O-CG 3.49Å; I494-M498 PolarHBondContact O-N 3.17Å; M498-H501 PolarHBondContact O-N 3.38Å; M498-V502 VanDerWaalsContact O-CG2 3.28Å; M498-V502 WeakPolarHBondContact O-CG2 3.39Å; M498-V502 PolarHBondContact O-N 3.22Å |
| 499 | L | 93.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 9.3 Ų | 9.3 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -65.2 | -45.2 | 176.4 | -73.3 | 165.8 | 0 | 0 | 0 | 112 | A464 F467 I468 N471 S495 F496 L497 H501 V502 V503 I511 F524 | A464-L499 HydrophobicContact CB-CD2 4.36Å; F467-L499 HydrophobicContact CB-CD1 4.1Å; F467-L499 HydrophobicContact CB-CD2 3.76Å; F467-L499 HydrophobicContact CB-CG 3.7Å; I468-L499 HydrophobicContact CG1-CD1 3.95Å; I468-L499 HydrophobicContact CG1-CD2 3.76Å; N471-L499 HydrophobicContact CB-CD1 4.35Å; S495-L499 WeakPolarHBondContact O-CB 3.35Å; S495-L499 WeakPolarHBondContact O-CD1 3.38Å; S495-L499 VanDerWaalsContact O-CG 3.24Å; S495-L499 WeakPolarHBondContact O-CG 3.27Å; S495-L499 PolarHBondContact O-N 3.43Å; F496-L499 PolarHBondContact O-N 3.36Å; L497-L499 VanDerWaalsContact C-N 3.31Å; L497-L499 PolarHBondContact O-N 3.4Å; L499-H501 VanDerWaalsContact C-N 3.29Å; L499-H501 PolarHBondContact O-N 3.46Å; L499-V502 PolarHBondContact O-N 3Å; L499-V503 VanDerWaalsContact O-CG2 3.31Å; L499-V503 WeakPolarHBondContact O-CG2 3.39Å; L499-V503 PolarHBondContact O-N 3.01Å; L499-I511 HydrophobicContact CD2-CD1 3.87Å; L499-F524 HydrophobicContact CB-CD1 4.12Å; L499-F524 HydrophobicContact CB-CD2 4.2Å; L499-F524 HydrophobicContact CB-CE1 3.58Å; L499-F524 HydrophobicContact CB-CE2 3.66Å; L499-F524 HydrophobicContact CB-CG 4.42Å; L499-F524 HydrophobicContact CB-CZ 3.33Å; L499-F524 HydrophobicContact CD1-CB 4.3Å; L499-F524 HydrophobicContact CD1-CD1 3.87Å; L499-F524 HydrophobicContact CD1-CD2 3.9Å; L499-F524 HydrophobicContact CD1-CE1 4.21Å; L499-F524 HydrophobicContact CD1-CE2 4.23Å; L499-F524 HydrophobicContact CD1-CG 3.72Å; L499-F524 HydrophobicContact CD1-CZ 4.39Å; L499-F524 HydrophobicContact CD2-CE1 4.42Å; L499-F524 HydrophobicContact CG-CD1 4.4Å; L499-F524 HydrophobicContact CG-CE1 4.29Å; L499-F524 HydrophobicContact CG-CZ 4.4Å |
| 500 | C | 93.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 9.6 Ų | 9.6 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -60.3 | -40.5 | 175 | -69.4 | 0 | 0 | 0 | 0 | 111.8 | F496 L497 V503 Q504 M532 I668 | F496-C500 WeakPolarHBondContact CE1-SG 3.35Å; F496-C500 PolarHBondContact O-N 3.24Å; F496-C500 PolarHBondContact O-SG 2.82Å; L497-C500 PolarHBondContact O-N 2.92Å; C500-V503 PolarHBondContact O-N 3.31Å; C500-Q504 WeakPolarHBondContact O-CG 3.43Å; C500-Q504 PolarHBondContact O-N 2.85Å; C500-M532 HydrophobicContact CB-CE 3.95Å; C500-I668 HydrophobicContact CB-CD1 3.78Å; C500-I668 HydrophobicContact CB-CG1 4.27Å; C500-I668 HydrophobicContact CB-CG2 3.98Å |
| 501 | H | 91.4 | Very high | 89.4 | Confident | 5 Ų | 5 | 9.9 Ų | 9.9 | 2% | 0.023 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -64.8 | -43 | 176.9 | -170.5 | 61.2 | 0 | 0 | 0 | 112.3 | D448 L497 M498 L499 V503 Q504 T505 I664 I668 | D448-H501 IonicContact OD1-CD2 2.75Å; D448-H501 IonicContact OD1-CE1 3.76Å; D448-H501 IonicContact OD1-NE2 3.69Å; D448-H501 PolarHBondContact OD1-NE2 3.17Å; L497-H501 WeakPolarHBondContact O-CB 3.46Å; L497-H501 PolarHBondContact O-N 2.94Å; M498-H501 PolarHBondContact O-N 3.38Å; L499-H501 VanDerWaalsContact C-N 3.29Å; L499-H501 PolarHBondContact O-N 3.46Å; H501-V503 VanDerWaalsContact C-N 3.32Å; H501-V503 PolarHBondContact O-N 2.69Å; H501-Q504 PolarHBondContact O-N 3.01Å; H501-T505 VanDerWaalsContact O-CB 3.26Å; H501-T505 WeakPolarHBondContact O-CB 3.38Å; H501-T505 PolarHBondContact O-N 2.88Å; H501-T505 PolarHBondContact O-OG1 3.16Å; H501-I664 HydrophobicContact CB-CG2 4.27Å; H501-I668 HydrophobicContact CB-CD1 4.17Å; H501-I668 HydrophobicContact CB-CG1 4.13Å |
| 502 | V | 91.7 | Very high | 89.1 | Confident | 1 Ų | 1 | 11.8 Ų | 11.8 | 1% | 0.006 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -58.1 | -45.8 | 173.5 | 167.4 | 0 | 0 | 0 | 0 | 110.7 | L451 L460 M498 L499 T505 Y506 V510 | L451-V502 HydrophobicContact CD1-CG2 3.8Å; L451-V502 HydrophobicContact CD2-CG2 3.67Å; L451-V502 HydrophobicContact CG-CG2 4.39Å; L460-V502 HydrophobicContact CD1-CG1 4.46Å; M498-V502 VanDerWaalsContact O-CG2 3.28Å; M498-V502 WeakPolarHBondContact O-CG2 3.39Å; M498-V502 PolarHBondContact O-N 3.22Å; L499-V502 PolarHBondContact O-N 3Å; V502-T505 PolarHBondContact O-N 3.15Å; V502-Y506 WeakPolarHBondContact O-CB 3.49Å; V502-Y506 PolarHBondContact O-N 2.91Å; V502-V510 HydrophobicContact CG1-CG1 4.15Å |
| 503 | V | 89.3 | Confident | 88.1 | Confident | 2 Ų | 2 | 14 Ų | 14 | 1% | 0.012 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -62.5 | -49.5 | 178.4 | 171.3 | 0 | 0 | 0 | 0 | 111.3 | L499 C500 H501 T505 G507 I511 F524 L528 M532 E534 | L499-V503 VanDerWaalsContact O-CG2 3.31Å; L499-V503 WeakPolarHBondContact O-CG2 3.39Å; L499-V503 PolarHBondContact O-N 3.01Å; C500-V503 PolarHBondContact O-N 3.31Å; H501-V503 VanDerWaalsContact C-N 3.32Å; H501-V503 PolarHBondContact O-N 2.69Å; V503-T505 VanDerWaalsContact C-N 3.26Å; V503-T505 PolarHBondContact O-N 3.22Å; V503-G507 WeakPolarHBondContact O-CA 3.28Å; V503-G507 PolarHBondContact O-N 3.48Å; V503-I511 HydrophobicContact CG2-CD1 3.62Å; V503-F524 HydrophobicContact CG2-CE1 4.49Å; V503-L528 HydrophobicContact CB-CD1 4.3Å; V503-L528 HydrophobicContact CG1-CD1 3.67Å; V503-L528 HydrophobicContact CG2-CD1 3.74Å; V503-L528 HydrophobicContact CG2-CD2 4.05Å; V503-M532 HydrophobicContact CB-CE 4.32Å; V503-M532 HydrophobicContact CG1-CE 4.13Å; V503-M532 HydrophobicContact CG1-CG 4.04Å; V503-E534 HydrophobicContact CG1-CG 4.22Å; V503-E534 VanDerWaalsContact CG1-OE1 3.24Å; V503-E534 WeakPolarHBondContact CG1-OE1 3.2Å |
| 504 | Q | 85.1 | Confident | 86.9 | Confident | 25 Ų | 25 | 17.5 Ų | 17.5 | 12% | 0.117 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -65.3 | -29.2 | -179.8 | -71.3 | -62.4 | -23.3 | 0 | 0 | 113 | C500 H501 M532 P533 I668 H671 M672 | C500-Q504 WeakPolarHBondContact O-CG 3.43Å; C500-Q504 PolarHBondContact O-N 2.85Å; H501-Q504 PolarHBondContact O-N 3.01Å; Q504-M532 HydrophobicContact CG-CE 3.54Å; Q504-P533 PolarHBondContact NE2-O 3.24Å; Q504-I668 HydrophobicContact CG-CG2 4.32Å; Q504-H671 HydrophobicContact CB-CB 4.05Å; Q504-H671 HydrophobicContact CG-CB 4.02Å; Q504-M672 VanDerWaalsContact NE2-CG 3.26Å |
| 505 | T | 85.9 | Confident | 85.3 | Confident | 18 Ų | 18 | 23.3 Ų | 23.3 | 11% | 0.11 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -89.8 | -34.7 | -176.3 | -54.9 | 0 | 0 | 0 | 0 | 113.6 | T297 K301 H501 V502 V503 | T297-T505 HydrophobicContact CG2-CG2 3.65Å; K301-T505 PolarHBondContact NZ-O 3.21Å; H501-T505 VanDerWaalsContact O-CB 3.26Å; H501-T505 WeakPolarHBondContact O-CB 3.38Å; H501-T505 PolarHBondContact O-N 2.88Å; H501-T505 PolarHBondContact O-OG1 3.16Å; V502-T505 PolarHBondContact O-N 3.15Å; V503-T505 VanDerWaalsContact C-N 3.26Å; V503-T505 PolarHBondContact O-N 3.22Å |
| 506 | Y | 86.5 | Confident | 83.7 | Confident | 26 Ų | 26 | 25.2 Ų | 25.2 | 10% | 0.102 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -127.9 | -4.4 | -169.8 | -59.3 | -78.4 | 0 | 0 | 0 | 114.6 | L253 T254 K301 L451 A452 A455 L460 V502 | L253-Y506 HydrophobicContact CD2-CE1 4.25Å; T254-Y506 HydrophobicContact CG2-CD1 3.74Å; T254-Y506 HydrophobicContact CG2-CG 4.14Å; K301-Y506 HydrophobicContact CD-CE1 4.46Å; K301-Y506 HydrophobicContact CG-CE1 4.31Å; L451-Y506 HydrophobicContact CB-CE2 3.73Å; L451-Y506 HydrophobicContact CD1-CE2 4.28Å; A452-Y506 VanDerWaalsContact CA-OH 3.32Å; A452-Y506 WeakPolarHBondContact CA-OH 3.36Å; A452-Y506 PolarHBondContact N-OH 3.18Å; A455-Y506 HydrophobicContact CB-CD1 4.14Å; A455-Y506 HydrophobicContact CB-CE1 3.72Å; L460-Y506 HydrophobicContact CD2-CD1 4.24Å; L460-Y506 HydrophobicContact CD2-CD2 3.96Å; L460-Y506 HydrophobicContact CD2-CG 3.79Å; V502-Y506 WeakPolarHBondContact O-CB 3.49Å; V502-Y506 PolarHBondContact O-N 2.91Å |
| 507 | G | 86 | Confident | 82 | Confident | 17 Ų | 17 | 31.9 Ų | 31.9 | 18% | 0.175 | 19% | 0.193 | C | C | . | . | trans | 89.9 | 151.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | V503 E509 V510 | V503-G507 WeakPolarHBondContact O-CA 3.28Å; V503-G507 PolarHBondContact O-N 3.48Å; G507-E509 VanDerWaalsContact C-N 3.25Å; G507-E509 PolarHBondContact O-N 3.21Å; G507-V510 PolarHBondContact O-N 3.01Å | ||
| 508 | S | 85.8 | Confident | 80.3 | Confident | 14 Ų | 14 | 34.9 Ų | 34.9 | 10% | 0.098 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -22.9 | 179.9 | 51.8 | 0 | 0 | 0 | 0 | 115.2 | V510 I511 L512 E534 | S508-V510 PolarHBondContact O-N 2.98Å; S508-V510 VanDerWaalsContact O-N 3.14Å; S508-I511 PolarHBondContact O-N 3.14Å; S508-L512 PolarHBondContact O-N 2.92Å; S508-E534 WeakPolarHBondContact CA-OE1 3.42Å; S508-E534 VanDerWaalsContact CB-CD 3.48Å; S508-E534 WeakPolarHBondContact CB-OE1 3.41Å; S508-E534 WeakPolarHBondContact CB-OE2 3.22Å; S508-E534 PolarHBondContact N-OE1 3.07Å; S508-E534 PolarHBondContact OG-OE1 3.3Å; S508-E534 PolarHBondContact OG-OE2 3.28Å |
| 509 | E | 81.7 | Confident | 78.8 | Confident | 72 Ų | 72 | 42.3 Ų | 42.3 | 34% | 0.336 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -59.8 | -25.4 | 177.9 | -65.5 | -63.1 | 165.7 | 0 | 0 | 112.8 | G507 I511 S513 | G507-E509 VanDerWaalsContact C-N 3.25Å; G507-E509 PolarHBondContact O-N 3.21Å; E509-I511 PolarHBondContact O-N 3.04Å; E509-S513 WeakPolarHBondContact O-CB 3.33Å; E509-S513 PolarHBondContact O-N 3.23Å; E509-S513 PolarHBondContact O-OG 3.15Å |
| 510 | V | 84.8 | Confident | 77.6 | Confident | 10 Ų | 10 | 50 Ų | 50 | 6% | 0.061 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59 | -31.3 | 173.4 | 175.4 | 0 | 0 | 0 | 0 | 111.7 | T254 L460 K461 V502 G507 S508 | T254-V510 HydrophobicContact CG2-CG2 4.07Å; L460-V510 HydrophobicContact CB-CG1 4.48Å; L460-V510 HydrophobicContact CD2-CG1 3.71Å; L460-V510 HydrophobicContact CD2-CG2 4.04Å; L460-V510 HydrophobicContact CG-CG1 3.74Å; K461-V510 HydrophobicContact CG-CG1 4.3Å; K461-V510 WeakPolarHBondContact CG-O 3.44Å; V502-V510 HydrophobicContact CG1-CG1 4.15Å; G507-V510 PolarHBondContact O-N 3.01Å; S508-V510 PolarHBondContact O-N 2.98Å; S508-V510 VanDerWaalsContact O-N 3.14Å |
| 511 | I | 86.8 | Confident | 76.9 | Confident | 11 Ų | 11 | 54.5 Ų | 54.5 | 6% | 0.056 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -97 | -45.5 | -179.5 | -66.2 | 176.1 | 0 | 0 | 0 | 110.9 | A464 I468 L499 V503 S508 E509 F524 E525 L528 | A464-I511 HydrophobicContact CB-CG1 4.05Å; I468-I511 HydrophobicContact CD1-CG2 3.67Å; L499-I511 HydrophobicContact CD2-CD1 3.87Å; V503-I511 HydrophobicContact CG2-CD1 3.62Å; S508-I511 PolarHBondContact O-N 3.14Å; E509-I511 PolarHBondContact O-N 3.04Å; I511-F524 HydrophobicContact CD1-CD1 4.34Å; I511-F524 HydrophobicContact CD1-CE1 3.77Å; I511-E525 HydrophobicContact CG2-CG 3.98Å; I511-L528 HydrophobicContact CB-CD2 4.02Å; I511-L528 HydrophobicContact CD1-CD2 4.12Å; I511-L528 HydrophobicContact CG2-CD2 3.95Å |
| 512 | L | 83.1 | Confident | 76.7 | Confident | 44 Ų | 44 | 55 Ų | 55 | 23% | 0.23 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -86.2 | -9.9 | -167.4 | -61.2 | 179.7 | 0 | 0 | 0 | 115.4 | S508 D514 E525 L528 Q529 | S508-L512 PolarHBondContact O-N 2.92Å; L512-D514 VanDerWaalsContact C-N 3.3Å; L512-D514 PolarHBondContact O-N 2.91Å; L512-E525 HydrophobicContact CD2-CB 4.36Å; L512-L528 HydrophobicContact CD1-CD2 4.2Å; L512-L528 HydrophobicContact CD1-CG 4.4Å; L512-L528 HydrophobicContact CD2-CD2 4.03Å; L512-L528 HydrophobicContact CG-CD2 3.93Å; L512-Q529 HydrophobicContact CD1-CG 3.79Å; L512-Q529 HydrophobicContact CD2-CG 3.95Å |
| 513 | S | 69.4 | Low | 76.6 | Confident | 47 Ų | 47 | 55.6 Ų | 55.6 | 33% | 0.329 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -24.5 | -168.6 | 65.4 | 0 | 0 | 0 | 0 | 115.8 | K461 E509 | K461-S513 PolarHBondContact NZ-OG 3.19Å; E509-S513 WeakPolarHBondContact O-CB 3.33Å; E509-S513 PolarHBondContact O-N 3.23Å; E509-S513 PolarHBondContact O-OG 3.15Å |
| 514 | D | 66.4 | Low | 76.7 | Confident | 74 Ų | 74 | 55.5 Ų | 55.5 | 40% | 0.396 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -119 | 131 | -178.7 | -68.7 | -20.3 | 0 | 0 | 0 | 109.8 | R465 L512 S516 | R465-D514 IonicContact CZ-OD2 3.24Å; R465-D514 IonicContact NH2-OD2 2.66Å; R465-D514 PolarHBondContact NH2-OD2 2.82Å; L512-D514 VanDerWaalsContact C-N 3.3Å; L512-D514 PolarHBondContact O-N 2.91Å; D514-S516 PolarHBondContact O-N 2.97Å |
| 515 | P | 58.9 | Low | 76.9 | Confident | 124 Ų | 124 | 55.7 Ų | 55.7 | 81% | 0.805 | 33% | 0.329 | S | S | * | . | trans | -61.6 | 132.2 | 175.6 | 24.7 | -31.5 | 0 | 0 | 0 | 110.2 | ||||
| 516 | S | 57 | Low | 77 | Confident | 39 Ų | 39 | 57.4 Ų | 57.4 | 27% | 0.273 | 34% | 0.339 | S | S | . | . | trans | -57.1 | 133.2 | 173.5 | 178.3 | 0 | 0 | 0 | 0 | 110.1 | D514 S518 | D514-S516 PolarHBondContact O-N 2.97Å; S516-S518 PolarHBondContact O-N 3.32Å; S516-S518 PolarHBondContact OG-N 2.96Å; S516-S518 PolarHBondContact OG-OG 3.22Å | ||
| 517 | P | 57.4 | Low | 77.2 | Confident | 141 Ų | 141 | 56.2 Ų | 56.2 | 92% | 0.916 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -70.6 | -4.3 | 173 | 28.1 | -33.1 | 0 | 0 | 0 | 113.4 | ||
| 518 | S | 59.5 | Low | 77.3 | Confident | 62 Ų | 62 | 55.4 Ų | 55.4 | 43% | 0.434 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -83.9 | 150 | 176.8 | 59.3 | 0 | 0 | 0 | 0 | 112.8 | S516 E520 | S516-S518 PolarHBondContact O-N 3.32Å; S516-S518 PolarHBondContact OG-N 2.96Å; S516-S518 PolarHBondContact OG-OG 3.22Å; S518-E520 VanDerWaalsContact C-N 3.25Å; S518-E520 PolarHBondContact O-N 3.24Å; S518-E520 PolarHBondContact OG-O 3.2Å |
| 519 | V | 60.1 | Low | 77.4 | Confident | 156 Ų | 156 | 60 Ų | 60 | 95% | 0.945 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -66.7 | -27.6 | 175.7 | -179.5 | 0 | 0 | 0 | 0 | 111.9 | ||
| 520 | E | 69.7 | Low | 77.5 | Confident | 161 Ų | 161 | 57.6 Ų | 57.6 | 75% | 0.752 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -109.7 | 134.1 | 175.5 | -67.4 | -177.8 | 176.9 | 0 | 0 | 110.9 | S518 | S518-E520 VanDerWaalsContact C-N 3.25Å; S518-E520 PolarHBondContact O-N 3.24Å; S518-E520 PolarHBondContact OG-O 3.2Å |
| 521 | T | 78.8 | Confident | 77.6 | Confident | 95 Ų | 95 | 57.2 Ų | 57.2 | 58% | 0.583 | 33% | 0.334 | S | S | * | . | trans | -72.8 | 131.7 | 173.9 | 49.9 | 0 | 0 | 0 | 0 | 110.7 | T526 | T521-T526 PolarHBondContact OG1-OG1 3.2Š| ||
| 522 | P | 87.6 | Confident | 77.7 | Confident | 17 Ų | 17 | 56.7 Ų | 56.7 | 11% | 0.11 | 33% | 0.331 | C | S | . | . | trans | -53.7 | 146.5 | 174.9 | -25.5 | 33.5 | 0 | 0 | 0 | 112.9 | I468 E472 F524 E525 T526 | I468-P522 HydrophobicContact CG2-CB 3.56Å; I468-P522 HydrophobicContact CG2-CG 3.87Å; E472-P522 HydrophobicContact CG-CB 4.28Å; P522-F524 VanDerWaalsContact C-N 3.29Å; P522-F524 PolarHBondContact O-N 3.11Å; P522-E525 HydrophobicContact CB-CG 4.28Å; P522-E525 WeakPolarHBondContact CD-OE2 3.37Å; P522-E525 HydrophobicContact CG-CG 4.39Å; P522-E525 PolarHBondContact O-N 3.03Å; P522-E525 VanDerWaalsContact O-N 3.14Å; P522-T526 PolarHBondContact O-N 3.17Å; P522-T526 PolarHBondContact O-OG1 3.11Å | ||
| 523 | F | 89.1 | Confident | 77.8 | Confident | 13 Ų | 13 | 54.7 Ų | 54.7 | 6% | 0.057 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -54.6 | -45.6 | -179.3 | 149.7 | -101.3 | 0 | 0 | 0 | 111.6 | N471 E472 F492 F496 E525 T526 W527 H574 C577 L578 | N471-F523 WeakPolarHBondContact OD1-CD1 3.47Å; E472-F523 WeakPolarHBondContact OE1-CB 3.22Å; E472-F523 PolarHBondContact OE1-N 2.77Å; F492-F523 HydrophobicContact CE2-CD1 4.4Å; F492-F523 HydrophobicContact CE2-CE1 4.12Å; F492-F523 HydrophobicContact CZ-CD1 4.48Å; F492-F523 AromaticContact CZ-CE1 3.77Å; F492-F523 HydrophobicContact CZ-CE1 3.77Å; F492-F523 HydrophobicContact CZ-CZ 4.43Å; F496-F523 HydrophobicContact CD2-CE1 4.09Å; F496-F523 AromaticContact CE2-CE1 3.87Å; F496-F523 HydrophobicContact CE2-CE1 3.87Å; F496-F523 HydrophobicContact CE2-CZ 4.01Å; F523-E525 VanDerWaalsContact C-N 3.32Å; F523-E525 PolarHBondContact O-N 3.14Å; F523-T526 PolarHBondContact O-N 3.47Å; F523-W527 HydrophobicContact CE2-CB 4.08Å; F523-W527 HydrophobicContact CE2-CG 4.47Å; F523-W527 HydrophobicContact CZ-CB 4.29Å; F523-W527 HydrophobicContact CZ-CG 4.41Å; F523-W527 WeakPolarHBondContact O-CB 3.45Å; F523-W527 PolarHBondContact O-N 3.16Å; F523-H574 HydrophobicContact CB-CB 4.42Å; F523-H574 HydrophobicContact CD1-CB 3.87Å; F523-H574 HydrophobicContact CD2-CB 3.86Å; F523-H574 HydrophobicContact CE1-CB 4.1Å; F523-H574 HydrophobicContact CE2-CB 4.09Å; F523-H574 HydrophobicContact CG-CB 3.75Å; F523-H574 HydrophobicContact CZ-CB 4.21Å; F523-C577 HydrophobicContact CE2-CB 4.35Å; F523-C577 HydrophobicContact CZ-CB 3.77Å; F523-L578 HydrophobicContact CD2-CD1 4.37Å; F523-L578 HydrophobicContact CD2-CD2 4.48Å; F523-L578 HydrophobicContact CD2-CG 4.34Å; F523-L578 HydrophobicContact CE2-CD1 4.39Å; F523-L578 HydrophobicContact CE2-CD2 4.02Å; F523-L578 HydrophobicContact CE2-CG 3.88Å |
| 524 | F | 90.9 | Very high | 78.2 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64 | -37.4 | -177.5 | -172.5 | -91.4 | 0 | 0 | 0 | 112.2 | F496 L499 V503 I511 P522 W527 L528 | F496-F524 AromaticContact CD2-CD2 3.69Å; F496-F524 HydrophobicContact CD2-CD2 3.69Å; F496-F524 AromaticContact CD2-CE2 3.92Å; F496-F524 HydrophobicContact CD2-CE2 3.92Å; F496-F524 AromaticContact CE2-CD2 3.71Å; F496-F524 HydrophobicContact CE2-CD2 3.71Å; F496-F524 AromaticContact CE2-CE2 3.85Å; F496-F524 HydrophobicContact CE2-CE2 3.85Å; F496-F524 HydrophobicContact CG-CD2 4.48Å; F496-F524 HydrophobicContact CG-CE2 4.36Å; F496-F524 HydrophobicContact CZ-CE2 4.23Å; L499-F524 HydrophobicContact CB-CD1 4.12Å; L499-F524 HydrophobicContact CB-CD2 4.2Å; L499-F524 HydrophobicContact CB-CE1 3.58Å; L499-F524 HydrophobicContact CB-CE2 3.66Å; L499-F524 HydrophobicContact CB-CG 4.42Å; L499-F524 HydrophobicContact CB-CZ 3.33Å; L499-F524 HydrophobicContact CD1-CB 4.3Å; L499-F524 HydrophobicContact CD1-CD1 3.87Å; L499-F524 HydrophobicContact CD1-CD2 3.9Å; L499-F524 HydrophobicContact CD1-CE1 4.21Å; L499-F524 HydrophobicContact CD1-CE2 4.23Å; L499-F524 HydrophobicContact CD1-CG 3.72Å; L499-F524 HydrophobicContact CD1-CZ 4.39Å; L499-F524 HydrophobicContact CD2-CE1 4.42Å; L499-F524 HydrophobicContact CG-CD1 4.4Å; L499-F524 HydrophobicContact CG-CE1 4.29Å; L499-F524 HydrophobicContact CG-CZ 4.4Å; V503-F524 HydrophobicContact CG2-CE1 4.49Å; I511-F524 HydrophobicContact CD1-CD1 4.34Å; I511-F524 HydrophobicContact CD1-CE1 3.77Å; P522-F524 VanDerWaalsContact C-N 3.29Å; P522-F524 PolarHBondContact O-N 3.11Å; F524-W527 HydrophobicContact CD2-CE3 4.37Å; F524-W527 AromaticContact CE2-CE3 3.98Å; F524-W527 HydrophobicContact CE2-CE3 3.98Å; F524-W527 HydrophobicContact CE2-CZ3 4.05Å; F524-W527 HydrophobicContact CZ-CE3 4.37Å; F524-W527 HydrophobicContact CZ-CZ3 4.28Å; F524-W527 PolarHBondContact O-N 3.35Å; F524-L528 HydrophobicContact CD1-CB 4.41Å; F524-L528 HydrophobicContact CE1-CB 4.16Å; F524-L528 HydrophobicContact CE1-CD2 4.16Å; F524-L528 WeakPolarHBondContact O-CB 3.48Å; F524-L528 PolarHBondContact O-N 2.91Å |
| 525 | E | 90.1 | Very high | 78.1 | Confident | 29 Ų | 29 | 53.8 Ų | 53.8 | 14% | 0.136 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.9 | -43.7 | 178.1 | -68.7 | 179.1 | -167.7 | 0 | 0 | 111.2 | I468 I511 L512 P522 F523 L528 Q529 | I468-E525 HydrophobicContact CD1-CG 4.26Å; I511-E525 HydrophobicContact CG2-CG 3.98Å; L512-E525 HydrophobicContact CD2-CB 4.36Å; P522-E525 HydrophobicContact CB-CG 4.28Å; P522-E525 WeakPolarHBondContact CD-OE2 3.37Å; P522-E525 HydrophobicContact CG-CG 4.39Å; P522-E525 PolarHBondContact O-N 3.03Å; P522-E525 VanDerWaalsContact O-N 3.14Å; F523-E525 VanDerWaalsContact C-N 3.32Å; F523-E525 PolarHBondContact O-N 3.14Å; E525-L528 PolarHBondContact O-N 3.35Å; E525-Q529 WeakPolarHBondContact O-CG 3.29Å; E525-Q529 PolarHBondContact O-N 3.29Å |
| 526 | T | 87.6 | Confident | 78.2 | Confident | 53 Ų | 53 | 51.9 Ų | 51.9 | 33% | 0.325 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.2 | -45.1 | 174.6 | -52 | 0 | 0 | 0 | 0 | 111.6 | T521 P522 F523 Q529 T530 | T521-T526 PolarHBondContact OG1-OG1 3.2Å; P522-T526 PolarHBondContact O-N 3.17Å; P522-T526 PolarHBondContact O-OG1 3.11Å; F523-T526 PolarHBondContact O-N 3.47Å; T526-Q529 PolarHBondContact O-N 3.49Å; T526-T530 WeakPolarHBondContact O-CG2 3.39Å; T526-T530 PolarHBondContact O-N 2.92Å; T526-T530 PolarHBondContact O-OG1 3.32Å |
| 527 | W | 89.7 | Confident | 79 | Confident | 2 Ų | 2 | 52.2 Ų | 52.2 | 1% | 0.008 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.7 | -42.5 | 176.9 | -179.8 | 91.5 | 0 | 0 | 0 | 111.8 | F496 F523 F524 Q529 T530 C531 M532 I617 C618 A621 | F496-W527 HydrophobicContact CE1-CH2 4.13Å; F496-W527 HydrophobicContact CE1-CZ2 4.36Å; F496-W527 HydrophobicContact CE1-CZ3 4.36Å; F496-W527 HydrophobicContact CE2-CD2 4.2Å; F496-W527 HydrophobicContact CE2-CE3 4.18Å; F496-W527 HydrophobicContact CE2-CZ3 4.48Å; F496-W527 AromaticContact CZ-CD2 3.87Å; F496-W527 HydrophobicContact CZ-CD2 3.87Å; F496-W527 AromaticContact CZ-CE2 3.79Å; F496-W527 AromaticContact CZ-CE3 3.83Å; F496-W527 HydrophobicContact CZ-CE3 3.83Å; F496-W527 AromaticContact CZ-CH2 3.74Å; F496-W527 HydrophobicContact CZ-CH2 3.74Å; F496-W527 AromaticContact CZ-CZ2 3.76Å; F496-W527 HydrophobicContact CZ-CZ2 3.76Å; F496-W527 AromaticContact CZ-CZ3 3.77Å; F496-W527 HydrophobicContact CZ-CZ3 3.77Å; F523-W527 HydrophobicContact CE2-CB 4.08Å; F523-W527 HydrophobicContact CE2-CG 4.47Å; F523-W527 HydrophobicContact CZ-CB 4.29Å; F523-W527 HydrophobicContact CZ-CG 4.41Å; F523-W527 WeakPolarHBondContact O-CB 3.45Å; F523-W527 PolarHBondContact O-N 3.16Å; F524-W527 HydrophobicContact CD2-CE3 4.37Å; F524-W527 AromaticContact CE2-CE3 3.98Å; F524-W527 HydrophobicContact CE2-CE3 3.98Å; F524-W527 HydrophobicContact CE2-CZ3 4.05Å; F524-W527 HydrophobicContact CZ-CE3 4.37Å; F524-W527 HydrophobicContact CZ-CZ3 4.28Å; F524-W527 PolarHBondContact O-N 3.35Å; W527-Q529 PolarHBondContact O-N 3.31Å; W527-T530 PolarHBondContact O-N 3.08Å; W527-C531 HydrophobicContact CD2-CB 4Å; W527-C531 HydrophobicContact CG-CB 4.11Å; W527-C531 HydrophobicContact CZ2-CB 4.11Å; W527-C531 WeakPolarHBondContact O-CA 3.42Å; W527-C531 WeakPolarHBondContact O-CB 3.34Å; W527-C531 PolarHBondContact O-N 3.02Å; W527-C531 PolarHBondContact O-SG 3.47Å; W527-C531 VanDerWaalsContact O-SG 3.33Å; W527-M532 HydrophobicContact CH2-CB 4.34Å; W527-M532 HydrophobicContact CH2-SD 3.87Å; W527-M532 HydrophobicContact CZ3-CB 4.05Å; W527-M532 HydrophobicContact CZ3-CG 4.42Å; W527-M532 HydrophobicContact CZ3-SD 4.1Å; W527-I617 HydrophobicContact CH2-CG2 3.91Å; W527-I617 HydrophobicContact CZ2-CG2 4.23Å; W527-C618 PolarHBondContact NE1-SG 3.19Å; W527-C618 VanDerWaalsContact NE1-SG 3.43Å; W527-A621 HydrophobicContact CZ2-CB 4.16Å |
| 528 | L | 89.8 | Confident | 79.7 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.6 | -46.4 | 177.5 | 172.8 | 60.7 | 0 | 0 | 0 | 111.5 | V503 I511 L512 F524 E525 T530 M532 K537 | V503-L528 HydrophobicContact CB-CD1 4.3Å; V503-L528 HydrophobicContact CG1-CD1 3.67Å; V503-L528 HydrophobicContact CG2-CD1 3.74Å; V503-L528 HydrophobicContact CG2-CD2 4.05Å; I511-L528 HydrophobicContact CB-CD2 4.02Å; I511-L528 HydrophobicContact CD1-CD2 4.12Å; I511-L528 HydrophobicContact CG2-CD2 3.95Å; L512-L528 HydrophobicContact CD1-CD2 4.2Å; L512-L528 HydrophobicContact CD1-CG 4.4Å; L512-L528 HydrophobicContact CD2-CD2 4.03Å; L512-L528 HydrophobicContact CG-CD2 3.93Å; F524-L528 HydrophobicContact CD1-CB 4.41Å; F524-L528 HydrophobicContact CE1-CB 4.16Å; F524-L528 HydrophobicContact CE1-CD2 4.16Å; F524-L528 WeakPolarHBondContact O-CB 3.48Å; F524-L528 PolarHBondContact O-N 2.91Å; E525-L528 PolarHBondContact O-N 3.35Å; L528-T530 VanDerWaalsContact C-N 3.33Å; L528-T530 PolarHBondContact O-N 3.42Å; L528-M532 HydrophobicContact CD1-CB 3.69Å; L528-M532 HydrophobicContact CD1-CG 3.85Å; L528-K537 PolarHBondContact O-NZ 3.16Å |
| 529 | Q | 86.6 | Confident | 80.8 | Confident | 110 Ų | 110 | 49.4 Ų | 49.4 | 51% | 0.514 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64.3 | -37.7 | 179.9 | -74.4 | 178 | -5.7 | 0 | 0 | 112.6 | L512 E525 T526 W527 K537 | L512-Q529 HydrophobicContact CD1-CG 3.79Å; L512-Q529 HydrophobicContact CD2-CG 3.95Å; E525-Q529 WeakPolarHBondContact O-CG 3.29Å; E525-Q529 PolarHBondContact O-N 3.29Å; T526-Q529 PolarHBondContact O-N 3.49Å; W527-Q529 PolarHBondContact O-N 3.31Å; Q529-K537 VanDerWaalsContact O-CE 3.24Å; Q529-K537 WeakPolarHBondContact O-CE 3.49Å; Q529-K537 PolarHBondContact O-NZ 3.07Å |
| 530 | T | 85.1 | Confident | 81.8 | Confident | 21 Ų | 21 | 46.1 Ų | 46.1 | 13% | 0.129 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -98.2 | -25.6 | -169.5 | 54.1 | 0 | 0 | 0 | 0 | 114.5 | T526 W527 L528 H543 C545 | T526-T530 WeakPolarHBondContact O-CG2 3.39Å; T526-T530 PolarHBondContact O-N 2.92Å; T526-T530 PolarHBondContact O-OG1 3.32Å; W527-T530 PolarHBondContact O-N 3.08Å; L528-T530 VanDerWaalsContact C-N 3.33Å; L528-T530 PolarHBondContact O-N 3.42Å; T530-H543 VanDerWaalsContact CG2-CE1 3.42Å; T530-H543 WeakPolarHBondContact CG2-CE1 3.17Å; T530-C545 PolarHBondContact OG1-SG 2.89Å |
| 531 | C | 86.5 | Confident | 82.3 | Confident | 2 Ų | 2 | 38.8 Ų | 38.8 | 1% | 0.014 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -119.9 | -36 | -166.9 | -46.8 | 0 | 0 | 0 | 0 | 114.6 | W527 P533 L539 F546 | W527-C531 HydrophobicContact CD2-CB 4Å; W527-C531 HydrophobicContact CG-CB 4.11Å; W527-C531 HydrophobicContact CZ2-CB 4.11Å; W527-C531 WeakPolarHBondContact O-CA 3.42Å; W527-C531 WeakPolarHBondContact O-CB 3.34Å; W527-C531 PolarHBondContact O-N 3.02Å; W527-C531 PolarHBondContact O-SG 3.47Å; W527-C531 VanDerWaalsContact O-SG 3.33Å; C531-P533 VanDerWaalsContact O-CD 3.25Å; C531-P533 WeakPolarHBondContact O-CD 3.46Å; C531-L539 VanDerWaalsContact O-CD1 3.24Å; C531-L539 WeakPolarHBondContact O-CD1 3.29Å; C531-F546 HydrophobicContact CB-CE1 4.1Å; C531-F546 HydrophobicContact CB-CZ 3.83Å; C531-F546 WeakPolarHBondContact SG-CE1 3.47Å; C531-F546 WeakPolarHBondContact SG-CZ 3.47Å |
| 532 | M | 88.4 | Confident | 82.3 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 23% | 0.227 | C | C | . | . | trans | -74.4 | 119.7 | -167.1 | -174.5 | 57.6 | 154.8 | 0 | 0 | 112 | C500 V503 Q504 W527 L528 E534 I668 M672 | C500-M532 HydrophobicContact CB-CE 3.95Å; V503-M532 HydrophobicContact CB-CE 4.32Å; V503-M532 HydrophobicContact CG1-CE 4.13Å; V503-M532 HydrophobicContact CG1-CG 4.04Å; Q504-M532 HydrophobicContact CG-CE 3.54Å; W527-M532 HydrophobicContact CH2-CB 4.34Å; W527-M532 HydrophobicContact CH2-SD 3.87Å; W527-M532 HydrophobicContact CZ3-CB 4.05Å; W527-M532 HydrophobicContact CZ3-CG 4.42Å; W527-M532 HydrophobicContact CZ3-SD 4.1Å; L528-M532 HydrophobicContact CD1-CB 3.69Å; L528-M532 HydrophobicContact CD1-CG 3.85Å; M532-E534 HydrophobicContact CG-CG 4.32Å; M532-E534 PolarHBondContact O-N 3.46Å; M532-I668 HydrophobicContact CE-CG2 4.44Å; M532-M672 HydrophobicContact CE-CG 4.48Å; M532-M672 HydrophobicContact CE-SD 4.46Å; M532-M672 HydrophobicContact SD-CE 4.35Å; M532-M672 HydrophobicContact SD-CG 4.24Å; M532-M672 HydrophobicContact SD-SD 4.06Å | ||
| 533 | P | 85.4 | Confident | 82 | Confident | 3 Ų | 3 | 41.3 Ų | 41.3 | 2% | 0.019 | 24% | 0.236 | C | C | . | . | trans | -68.6 | 125.1 | 174.2 | -18.3 | 33.1 | 0 | 0 | 0 | 110.7 | Q504 C531 L539 A621 V624 M672 | Q504-P533 PolarHBondContact NE2-O 3.24Å; C531-P533 VanDerWaalsContact O-CD 3.25Å; C531-P533 WeakPolarHBondContact O-CD 3.46Å; P533-L539 HydrophobicContact CB-CD1 4.24Å; P533-L539 HydrophobicContact CG-CD1 4.04Å; P533-A621 HydrophobicContact CG-CB 4.4Å; P533-V624 HydrophobicContact CB-CG1 3.77Å; P533-V624 HydrophobicContact CG-CB 3.98Å; P533-V624 HydrophobicContact CG-CG1 3.74Å; P533-M672 HydrophobicContact CB-CB 4.48Å; P533-M672 HydrophobicContact CG-CB 4.36Å; P533-M672 HydrophobicContact CG-CE 3.91Å; P533-M672 HydrophobicContact CG-CG 4.42Å | ||
| 534 | E | 76.6 | Confident | 81.3 | Confident | 26 Ų | 26 | 45.3 Ų | 45.3 | 12% | 0.121 | 26% | 0.264 | C | S | . | . | trans | -133.8 | 154.8 | 175.7 | -65.2 | -175.9 | 106.5 | 0 | 0 | 109.4 | V503 S508 M532 G536 K537 | V503-E534 HydrophobicContact CG1-CG 4.22Å; V503-E534 VanDerWaalsContact CG1-OE1 3.24Å; V503-E534 WeakPolarHBondContact CG1-OE1 3.2Å; S508-E534 WeakPolarHBondContact CA-OE1 3.42Å; S508-E534 VanDerWaalsContact CB-CD 3.48Å; S508-E534 WeakPolarHBondContact CB-OE1 3.41Å; S508-E534 WeakPolarHBondContact CB-OE2 3.22Å; S508-E534 PolarHBondContact N-OE1 3.07Å; S508-E534 PolarHBondContact OG-OE1 3.3Å; S508-E534 PolarHBondContact OG-OE2 3.28Å; M532-E534 HydrophobicContact CG-CG 4.32Å; M532-E534 PolarHBondContact O-N 3.46Å; E534-G536 PolarHBondContact O-N 3.31Å; E534-K537 HydrophobicContact CB-CB 4.07Å; E534-K537 HydrophobicContact CB-CD 4.24Å; E534-K537 HydrophobicContact CG-CD 4.5Å; E534-K537 PolarHBondContact O-N 3.14Å; E534-K537 VanDerWaalsContact O-N 3.14Å; E534-K537 IonicContact OE2-NZ 2.83Å; E534-K537 PolarHBondContact OE2-NZ 2.82Å | ||
| 535 | E | 64.9 | Low | 80.4 | Confident | 75 Ų | 75 | 46.9 Ų | 46.9 | 35% | 0.35 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | 126.1 | 174.6 | -72.8 | 173.3 | -171.1 | 0 | 0 | 110.2 | K537 R697 R833 | E535-K537 VanDerWaalsContact C-N 3.28Å; E535-K537 PolarHBondContact O-N 3.39Å; E535-R697 IonicContact OE1-CZ 3.57Å; E535-R697 IonicContact OE1-NH2 3.23Å; E535-R833 IonicContact OE2-NH1 2.8Å |
| 536 | G | 62.4 | Low | 79.2 | Confident | 85 Ų | 85 | 46.3 Ų | 46.3 | 88% | 0.876 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.8 | -0.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | E534 | E534-G536 PolarHBondContact O-N 3.31Š|
| 537 | K | 73.8 | Confident | 78.2 | Confident | 45 Ų | 45 | 52.9 Ų | 52.9 | 20% | 0.196 | 29% | 0.29 | C | S | . | . | trans | -96.2 | 123.2 | 177.2 | -167.9 | 179.4 | -173.1 | 178 | 0 | 111.7 | L528 Q529 E534 E535 L539 R628 | L528-K537 PolarHBondContact O-NZ 3.16Å; Q529-K537 VanDerWaalsContact O-CE 3.24Å; Q529-K537 WeakPolarHBondContact O-CE 3.49Å; Q529-K537 PolarHBondContact O-NZ 3.07Å; E534-K537 HydrophobicContact CB-CB 4.07Å; E534-K537 HydrophobicContact CB-CD 4.24Å; E534-K537 HydrophobicContact CG-CD 4.5Å; E534-K537 PolarHBondContact O-N 3.14Å; E534-K537 VanDerWaalsContact O-N 3.14Å; E534-K537 IonicContact OE2-NZ 2.83Å; E534-K537 PolarHBondContact OE2-NZ 2.82Å; E535-K537 VanDerWaalsContact C-N 3.28Å; E535-K537 PolarHBondContact O-N 3.39Å; K537-L539 HydrophobicContact CD-CD2 3.94Å; K537-L539 HydrophobicContact CG-CD2 4.08Å; K537-R628 PolarHBondContact O-NH1 3.06Å | ||
| 538 | T | 70.9 | Confident | 77.2 | Confident | 123 Ų | 123 | 54.3 Ų | 54.3 | 76% | 0.755 | 30% | 0.299 | S | S | * | . | trans | -88.7 | 120.1 | 170.9 | 52 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 539 | L | 82.1 | Confident | 76.6 | Confident | 22 Ų | 22 | 60.2 Ų | 60.2 | 12% | 0.115 | 33% | 0.327 | C | S | . | . | trans | -104.3 | 143.7 | 178.8 | -62 | 174.7 | 0 | 0 | 0 | 110.3 | C531 P533 K537 P541 A625 | C531-L539 VanDerWaalsContact O-CD1 3.24Å; C531-L539 WeakPolarHBondContact O-CD1 3.29Å; P533-L539 HydrophobicContact CB-CD1 4.24Å; P533-L539 HydrophobicContact CG-CD1 4.04Å; K537-L539 HydrophobicContact CD-CD2 3.94Å; K537-L539 HydrophobicContact CG-CD2 4.08Å; L539-P541 WeakPolarHBondContact O-CD 3.48Å; L539-A625 HydrophobicContact CB-CB 3.82Å; L539-A625 HydrophobicContact CD1-CB 4.16Å | ||
| 540 | N | 81.7 | Confident | 76.3 | Confident | 86 Ų | 86 | 59.6 Ų | 59.6 | 46% | 0.46 | 33% | 0.332 | S | S | . | . | trans | -97.6 | 109.6 | 173.1 | -177.9 | -0.6 | 0 | 0 | 0 | 109.7 | D542 H543 | N540-D542 PolarHBondContact O-N 3.43Å; N540-D542 WeakPolarHBondContact OD1-CB 3.47Å; N540-D542 PolarHBondContact OD1-N 2.95Å; N540-H543 HydrophobicContact CB-CB 4.37Å; N540-H543 VanDerWaalsContact O-CB 3.29Å; N540-H543 WeakPolarHBondContact O-CB 3.44Å; N540-H543 PolarHBondContact O-N 3.14Å; N540-H543 VanDerWaalsContact O-N 3.14Å | ||
| 541 | P | 80.4 | Confident | 76.2 | Confident | 7 Ų | 7 | 60.6 Ų | 60.6 | 5% | 0.045 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -18.5 | 178.2 | 27.7 | -34.3 | 0 | 0 | 0 | 113.3 | L539 F546 W622 A625 H626 M629 | L539-P541 WeakPolarHBondContact O-CD 3.48Å; P541-F546 WeakPolarHBondContact O-CD2 3.17Å; P541-W622 PolarHBondContact O-NE1 2.92Å; P541-A625 HydrophobicContact CB-CB 4.35Å; P541-H626 HydrophobicContact CB-CB 4.33Å; P541-M629 HydrophobicContact CG-CG 3.92Å |
| 542 | D | 79.4 | Confident | 76.1 | Confident | 101 Ų | 101 | 64.3 Ų | 64.3 | 54% | 0.54 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 10.7 | 177.1 | -62.3 | -46 | 0 | 0 | 0 | 113.3 | N540 | N540-D542 PolarHBondContact O-N 3.43Å; N540-D542 WeakPolarHBondContact OD1-CB 3.47Å; N540-D542 PolarHBondContact OD1-N 2.95Å |
| 543 | H | 80.3 | Confident | 75.9 | Confident | 65 Ų | 65 | 64.9 Ų | 64.9 | 30% | 0.301 | 37% | 0.366 | S | S | . | . | trans | -55.1 | 138.1 | -178.5 | -171 | -87.2 | 0 | 0 | 0 | 111.2 | T530 N540 C545 F546 | T530-H543 VanDerWaalsContact CG2-CE1 3.42Å; T530-H543 WeakPolarHBondContact CG2-CE1 3.17Å; N540-H543 HydrophobicContact CB-CB 4.37Å; N540-H543 VanDerWaalsContact O-CB 3.29Å; N540-H543 WeakPolarHBondContact O-CB 3.44Å; N540-H543 PolarHBondContact O-N 3.14Å; N540-H543 VanDerWaalsContact O-N 3.14Å; H543-C545 WeakPolarHBondContact ND1-CB 3.4Å; H543-C545 PolarHBondContact ND1-N 3.47Å; H543-C545 VanDerWaalsContact ND1-N 3.19Å; H543-C545 PolarHBondContact ND1-SG 3.42Å; H543-C545 PolarHBondContact O-N 3.25Å; H543-F546 HydrophobicContact CB-CD2 3.86Å; H543-F546 HydrophobicContact CB-CE2 3.97Å; H543-F546 WeakPolarHBondContact O-CB 3.4Å; H543-F546 PolarHBondContact O-N 2.84Å | ||
| 544 | P | 75.2 | Confident | 75.9 | Confident | 97 Ų | 97 | 71 Ų | 71 | 63% | 0.63 | 40% | 0.395 | S | S | * | . | G | 310 helix | trans | -56.1 | -24.1 | -176.1 | -28.2 | 35.1 | 0 | 0 | 0 | 115.2 | F546 R547 | P544-F546 PolarHBondContact O-N 2.9Å; P544-F546 VanDerWaalsContact O-N 3.16Å; P544-R547 PolarHBondContact O-N 3.5Å |
| 545 | C | 70.7 | Confident | 76.4 | Confident | 32 Ų | 32 | 73.7 Ų | 73.7 | 22% | 0.216 | 42% | 0.416 | C | S | . | . | G | 310 helix | trans | -60.6 | -20.1 | 174.5 | 72.5 | 0 | 0 | 0 | 0 | 113.6 | T530 H543 | T530-C545 PolarHBondContact OG1-SG 2.89Å; H543-C545 WeakPolarHBondContact ND1-CB 3.4Å; H543-C545 PolarHBondContact ND1-N 3.47Å; H543-C545 VanDerWaalsContact ND1-N 3.19Å; H543-C545 PolarHBondContact ND1-SG 3.42Å; H543-C545 PolarHBondContact O-N 3.25Å |
| 546 | F | 65.8 | Low | 77.4 | Confident | 17 Ų | 17 | 70.5 Ų | 70.5 | 8% | 0.075 | 40% | 0.401 | C | S | . | . | G | 310 helix | trans | -95.6 | 10 | 176.7 | -56 | -57.6 | 0 | 0 | 0 | 113.9 | C531 P541 H543 P544 P548 P581 | C531-F546 HydrophobicContact CB-CE1 4.1Å; C531-F546 HydrophobicContact CB-CZ 3.83Å; C531-F546 WeakPolarHBondContact SG-CE1 3.47Å; C531-F546 WeakPolarHBondContact SG-CZ 3.47Å; P541-F546 WeakPolarHBondContact O-CD2 3.17Å; H543-F546 HydrophobicContact CB-CD2 3.86Å; H543-F546 HydrophobicContact CB-CE2 3.97Å; H543-F546 WeakPolarHBondContact O-CB 3.4Å; H543-F546 PolarHBondContact O-N 2.84Å; P544-F546 PolarHBondContact O-N 2.9Å; P544-F546 VanDerWaalsContact O-N 3.16Å; F546-P548 WeakPolarHBondContact O-CD 3.18Å; F546-P581 HydrophobicContact CB-CB 4.43Å; F546-P581 HydrophobicContact CD1-CB 3.51Å; F546-P581 HydrophobicContact CD1-CG 3.55Å; F546-P581 HydrophobicContact CE1-CB 3.99Å; F546-P581 HydrophobicContact CE1-CG 3.67Å; F546-P581 HydrophobicContact CG-CB 4.2Å |
| 547 | R | 65.8 | Low | 78.6 | Confident | 192 Ų | 192 | 68.2 Ų | 68.2 | 73% | 0.725 | 37% | 0.37 | S | S | * | . | trans | -107.9 | 69.5 | 171.8 | -63.2 | -172.2 | -177.2 | -177.7 | 0.2 | 111.4 | P544 | P544-R547 PolarHBondContact O-N 3.5Š| ||
| 548 | P | 70.1 | Confident | 79.2 | Confident | 31 Ų | 31 | 69.6 Ų | 69.6 | 20% | 0.201 | 38% | 0.383 | C | S | . | . | trans | -65.9 | 168 | 171.3 | 10.5 | -3.9 | 0 | 0 | 0 | 111.4 | F546 V553 A582 | F546-P548 WeakPolarHBondContact O-CD 3.18Å; P548-V553 HydrophobicContact CB-CG2 4.27Å; P548-V553 HydrophobicContact CG-CG2 3.76Å; P548-A582 HydrophobicContact CG-CB 4.18Å | ||
| 549 | E | 77 | Confident | 79.9 | Confident | 125 Ų | 125 | 66.8 Ų | 66.8 | 58% | 0.584 | 36% | 0.362 | S | S | * | . | trans | -52 | 126.6 | 174.3 | -69.3 | 175.5 | 172.8 | 0 | 0 | 110.9 | G551 K552 V553 | E549-G551 PolarHBondContact O-N 3.41Å; E549-G551 VanDerWaalsContact O-N 3.11Å; E549-K552 HydrophobicContact CB-CD 4.38Å; E549-K552 HydrophobicContact CB-CG 4.25Å; E549-K552 WeakPolarHBondContact O-CB 3.22Å; E549-K552 PolarHBondContact O-N 2.97Å; E549-K552 WeakPolarHBondContact OE2-CE 3.35Å; E549-K552 IonicContact OE2-NZ 3.65Å; E549-V553 PolarHBondContact O-N 2.94Å | ||
| 550 | P | 79.9 | Confident | 80.1 | Confident | 97 Ų | 97 | 66.1 Ų | 66.1 | 63% | 0.63 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -51.9 | -39.9 | -175.6 | -29.6 | 34.4 | 0 | 0 | 0 | 113.7 | K552 V553 E554 | P550-K552 VanDerWaalsContact C-N 3.27Å; P550-K552 PolarHBondContact O-N 3.29Å; P550-V553 PolarHBondContact O-N 3.36Å; P550-V553 VanDerWaalsContact O-N 3.11Å; P550-E554 WeakPolarHBondContact O-CG 3.19Å; P550-E554 PolarHBondContact O-N 2.94Å |
| 551 | G | 82.9 | Confident | 80.2 | Confident | 41 Ų | 41 | 64.8 Ų | 64.8 | 42% | 0.423 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.4 | -28.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | E549 S555 | E549-G551 PolarHBondContact O-N 3.41Å; E549-G551 VanDerWaalsContact O-N 3.11Å; G551-S555 WeakPolarHBondContact O-CB 3.5Å; G551-S555 PolarHBondContact O-N 3.3Å; G551-S555 VanDerWaalsContact O-N 3.17Å; G551-S555 PolarHBondContact O-OG 3.4Å |
| 552 | K | 83.9 | Confident | 80.2 | Confident | 80 Ų | 80 | 70.1 Ų | 70.1 | 35% | 0.348 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -74.9 | -38 | 174.6 | -66.9 | -174.8 | -179.6 | -178.8 | 0 | 111.6 | E549 P550 L556 E575 | E549-K552 HydrophobicContact CB-CD 4.38Å; E549-K552 HydrophobicContact CB-CG 4.25Å; E549-K552 WeakPolarHBondContact O-CB 3.22Å; E549-K552 PolarHBondContact O-N 2.97Å; E549-K552 WeakPolarHBondContact OE2-CE 3.35Å; E549-K552 IonicContact OE2-NZ 3.65Å; P550-K552 VanDerWaalsContact C-N 3.27Å; P550-K552 PolarHBondContact O-N 3.29Å; K552-L556 WeakPolarHBondContact O-CB 3.39Å; K552-L556 PolarHBondContact O-N 2.99Å; K552-E575 IonicContact NZ-OE2 2.75Å; K552-E575 PolarHBondContact NZ-OE2 2.75Å |
| 553 | V | 84.9 | Confident | 79.8 | Confident | 13 Ų | 13 | 67.2 Ų | 67.2 | 8% | 0.079 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -67.2 | -48.4 | 177.1 | -177.8 | 0 | 0 | 0 | 0 | 110.3 | P548 E549 P550 S555 L556 V557 A582 A583 E586 | P548-V553 HydrophobicContact CB-CG2 4.27Å; P548-V553 HydrophobicContact CG-CG2 3.76Å; E549-V553 PolarHBondContact O-N 2.94Å; P550-V553 PolarHBondContact O-N 3.36Å; P550-V553 VanDerWaalsContact O-N 3.11Å; V553-S555 VanDerWaalsContact C-N 3.31Å; V553-S555 PolarHBondContact O-N 3.26Å; V553-L556 PolarHBondContact O-N 2.79Å; V553-L556 VanDerWaalsContact O-N 3.11Å; V553-V557 HydrophobicContact CG1-CG2 4.31Å; V553-V557 WeakPolarHBondContact O-CG2 3.19Å; V553-V557 PolarHBondContact O-N 3.38Å; V553-A582 HydrophobicContact CG1-CB 4.02Å; V553-A582 HydrophobicContact CG2-CB 3.75Å; V553-A583 HydrophobicContact CG1-CB 4.37Å; V553-E586 HydrophobicContact CG1-CG 4.3Å |
| 554 | E | 85.9 | Confident | 79 | Confident | 132 Ų | 132 | 69.1 Ų | 69.1 | 62% | 0.617 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -57.8 | -43.7 | 176.4 | -73.2 | 177.1 | -175.6 | 0 | 0 | 111.9 | P550 L556 V557 T558 | P550-E554 WeakPolarHBondContact O-CG 3.19Å; P550-E554 PolarHBondContact O-N 2.94Å; E554-L556 VanDerWaalsContact C-N 3.34Å; E554-L556 PolarHBondContact O-N 3.4Å; E554-V557 PolarHBondContact O-N 2.87Å; E554-T558 VanDerWaalsContact O-CB 3.29Å; E554-T558 WeakPolarHBondContact O-CB 3.34Å; E554-T558 PolarHBondContact O-N 3.23Å; E554-T558 PolarHBondContact O-OG1 3.32Å |
| 555 | S | 85.7 | Confident | 78.5 | Confident | 82 Ų | 82 | 70.7 Ų | 70.7 | 57% | 0.573 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -62 | -41.3 | 176.4 | -63.2 | 0 | 0 | 0 | 0 | 112 | G551 V553 L559 | G551-S555 WeakPolarHBondContact O-CB 3.5Å; G551-S555 PolarHBondContact O-N 3.3Å; G551-S555 VanDerWaalsContact O-N 3.17Å; G551-S555 PolarHBondContact O-OG 3.4Å; V553-S555 VanDerWaalsContact C-N 3.31Å; V553-S555 PolarHBondContact O-N 3.26Å; S555-L559 WeakPolarHBondContact O-CB 3.46Å; S555-L559 PolarHBondContact O-N 3.14Å |
| 556 | L | 87.3 | Confident | 78.5 | Confident | 7 Ų | 7 | 70.6 Ų | 70.6 | 4% | 0.037 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -69 | -45.7 | 178.7 | -177.7 | 58.8 | 0 | 0 | 0 | 111.9 | K552 V553 E554 T558 L559 L560 I576 A583 M615 | K552-L556 WeakPolarHBondContact O-CB 3.39Å; K552-L556 PolarHBondContact O-N 2.99Å; V553-L556 PolarHBondContact O-N 2.79Å; V553-L556 VanDerWaalsContact O-N 3.11Å; E554-L556 VanDerWaalsContact C-N 3.34Å; E554-L556 PolarHBondContact O-N 3.4Å; L556-T558 VanDerWaalsContact C-N 3.34Å; L556-T558 PolarHBondContact O-N 2.88Å; L556-L559 WeakPolarHBondContact O-CB 3.42Å; L556-L559 PolarHBondContact O-N 3.35Å; L556-L560 HydrophobicContact CD1-CD1 4.3Å; L556-L560 HydrophobicContact CD1-CG 4.3Å; L556-L560 HydrophobicContact CG-CD1 4.13Å; L556-L560 VanDerWaalsContact O-CG 3.28Å; L556-L560 WeakPolarHBondContact O-CG 3.48Å; L556-L560 PolarHBondContact O-N 3.08Å; L556-I576 HydrophobicContact CD1-CD1 4.37Å; L556-I576 HydrophobicContact CD1-CG2 4.47Å; L556-A583 HydrophobicContact CD2-CB 3.95Å; L556-A583 HydrophobicContact CG-CB 4.24Å; L556-M615 HydrophobicContact CD1-CE 4.28Å |
| 557 | V | 86.6 | Confident | 79.1 | Confident | 37 Ų | 37 | 78.4 Ų | 78.4 | 22% | 0.224 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -61.4 | -43.6 | 176.6 | 173.8 | 0 | 0 | 0 | 0 | 110.6 | V553 E554 L559 L560 N561 A583 E586 | V553-V557 HydrophobicContact CG1-CG2 4.31Å; V553-V557 WeakPolarHBondContact O-CG2 3.19Å; V553-V557 PolarHBondContact O-N 3.38Å; E554-V557 PolarHBondContact O-N 2.87Å; V557-L559 VanDerWaalsContact C-N 3.33Å; V557-L559 PolarHBondContact O-N 3.37Å; V557-L560 PolarHBondContact O-N 2.83Å; V557-N561 WeakPolarHBondContact O-CB 3.33Å; V557-N561 PolarHBondContact O-N 3.11Å; V557-A583 HydrophobicContact CG2-CB 3.71Å; V557-E586 HydrophobicContact CG2-CB 4.38Å |
| 558 | T | 86.8 | Confident | 79.8 | Confident | 75 Ų | 75 | 70.4 Ų | 70.4 | 46% | 0.46 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -60.7 | -43.3 | 176.5 | -57.9 | 0 | 0 | 0 | 0 | 111.5 | E554 L556 N561 N562 | E554-T558 VanDerWaalsContact O-CB 3.29Å; E554-T558 WeakPolarHBondContact O-CB 3.34Å; E554-T558 PolarHBondContact O-N 3.23Å; E554-T558 PolarHBondContact O-OG1 3.32Å; L556-T558 VanDerWaalsContact C-N 3.34Å; L556-T558 PolarHBondContact O-N 2.88Å; T558-N561 PolarHBondContact O-N 3.33Å; T558-N562 WeakPolarHBondContact CG2-ND2 3.47Å; T558-N562 VanDerWaalsContact O-CB 3.3Å; T558-N562 WeakPolarHBondContact O-CB 3.43Å; T558-N562 PolarHBondContact O-N 3.37Å; T558-N562 PolarHBondContact O-ND2 2.95Å |
| 559 | L | 85.3 | Confident | 80.3 | Confident | 63 Ų | 63 | 71.9 Ų | 71.9 | 33% | 0.33 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62 | -46.4 | 176.9 | 178.6 | 66 | 0 | 0 | 0 | 111.7 | S555 L556 V557 N561 S563 M566 | S555-L559 WeakPolarHBondContact O-CB 3.46Å; S555-L559 PolarHBondContact O-N 3.14Å; L556-L559 WeakPolarHBondContact O-CB 3.42Å; L556-L559 PolarHBondContact O-N 3.35Å; V557-L559 VanDerWaalsContact C-N 3.33Å; V557-L559 PolarHBondContact O-N 3.37Å; L559-N561 VanDerWaalsContact C-N 3.32Å; L559-N561 PolarHBondContact O-N 2.79Å; L559-S563 WeakPolarHBondContact O-CB 3.41Å; L559-S563 PolarHBondContact O-N 3.39Å; L559-M566 HydrophobicContact CD2-CG 3.93Å; L559-M566 HydrophobicContact CD2-SD 3.78Å |
| 560 | L | 85.8 | Confident | 80.5 | Confident | 8 Ų | 8 | 72.6 Ų | 72.6 | 4% | 0.042 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -67.2 | -30 | -179.5 | -69.4 | 172.6 | 0 | 0 | 0 | 112.9 | L556 V557 I604 N607 I608 M615 | L556-L560 HydrophobicContact CD1-CD1 4.3Å; L556-L560 HydrophobicContact CD1-CG 4.3Å; L556-L560 HydrophobicContact CG-CD1 4.13Å; L556-L560 VanDerWaalsContact O-CG 3.28Å; L556-L560 WeakPolarHBondContact O-CG 3.48Å; L556-L560 PolarHBondContact O-N 3.08Å; V557-L560 PolarHBondContact O-N 2.83Å; L560-I604 HydrophobicContact CB-CG2 4.19Å; L560-I604 HydrophobicContact CD1-CG2 4.5Å; L560-N607 HydrophobicContact CD2-CB 4.09Å; L560-N607 PolarHBondContact O-ND2 3.45Å; L560-I608 HydrophobicContact CD1-CD1 4.03Å; L560-I608 HydrophobicContact CD1-CG1 3.79Å; L560-I608 HydrophobicContact CD2-CG1 3.74Å; L560-I608 HydrophobicContact CG-CG1 4.4Å; L560-M615 HydrophobicContact CD2-CE 4.48Å |
| 561 | N | 85.1 | Confident | 80.7 | Confident | 59 Ų | 59 | 69.1 Ų | 69.1 | 32% | 0.316 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -81.3 | -41.3 | 179.2 | -164.9 | 23.4 | 0 | 0 | 0 | 112.6 | V557 T558 L559 K603 | V557-N561 WeakPolarHBondContact O-CB 3.33Å; V557-N561 PolarHBondContact O-N 3.11Å; T558-N561 PolarHBondContact O-N 3.33Å; L559-N561 VanDerWaalsContact C-N 3.32Å; L559-N561 PolarHBondContact O-N 2.79Å; N561-K603 PolarHBondContact O-NZ 2.92Å |
| 562 | N | 80.4 | Confident | 80.8 | Confident | 119 Ų | 119 | 71.4 Ų | 71.4 | 64% | 0.636 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -99.2 | -28 | -167.2 | -65.4 | -26.2 | 0 | 0 | 0 | 115 | T558 | T558-N562 WeakPolarHBondContact CG2-ND2 3.47Å; T558-N562 VanDerWaalsContact O-CB 3.3Å; T558-N562 WeakPolarHBondContact O-CB 3.43Å; T558-N562 PolarHBondContact O-N 3.37Å; T558-N562 PolarHBondContact O-ND2 2.95Å |
| 563 | S | 69.6 | Low | 81 | Confident | 40 Ų | 40 | 67.7 Ų | 67.7 | 28% | 0.28 | 36% | 0.36 | S | S | . | . | trans | -107.9 | 133.7 | -176.3 | -168.8 | 0 | 0 | 0 | 0 | 111.8 | L559 E565 N607 | L559-S563 WeakPolarHBondContact O-CB 3.41Å; L559-S563 PolarHBondContact O-N 3.39Å; S563-E565 VanDerWaalsContact C-N 3.29Å; S563-E565 PolarHBondContact OG-N 3.41Å; S563-E565 VanDerWaalsContact OG-N 3.09Å; S563-E565 PolarHBondContact OG-O 3.45Å; S563-N607 PolarHBondContact O-ND2 3.32Å | ||
| 564 | S | 63.8 | Low | 81.1 | Confident | 104 Ų | 104 | 68.4 Ų | 68.4 | 73% | 0.727 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -78 | -15.7 | 165.7 | 54.9 | 0 | 0 | 0 | 0 | 112.5 | ||
| 565 | E | 64.8 | Low | 81.2 | Confident | 130 Ų | 130 | 64.6 Ų | 64.6 | 61% | 0.607 | 35% | 0.345 | S | S | * | . | trans | -131.5 | 118.8 | -177.5 | -70.6 | -166.4 | 170.7 | 0 | 0 | 113.2 | S563 | S563-E565 VanDerWaalsContact C-N 3.29Å; S563-E565 PolarHBondContact OG-N 3.41Å; S563-E565 VanDerWaalsContact OG-N 3.09Å; S563-E565 PolarHBondContact OG-O 3.45Å | ||
| 566 | M | 72.3 | Confident | 81.4 | Confident | 30 Ų | 30 | 62.2 Ų | 62.2 | 15% | 0.148 | 33% | 0.325 | C | S | . | . | trans | -79.8 | 128.8 | 169.4 | -173.7 | 151.9 | 142.7 | 0 | 0 | 110.5 | L559 V571 W573 I576 K611 M615 | L559-M566 HydrophobicContact CD2-CG 3.93Å; L559-M566 HydrophobicContact CD2-SD 3.78Å; M566-V571 HydrophobicContact CE-CG1 4.21Å; M566-W573 HydrophobicContact CE-CE3 4.23Å; M566-W573 HydrophobicContact CE-CH2 3.49Å; M566-W573 VanDerWaalsContact CE-CH2 3.49Å; M566-W573 HydrophobicContact CE-CZ3 3.28Å; M566-I576 HydrophobicContact CE-CG1 4.42Å; M566-I576 HydrophobicContact CE-CG2 4.39Å; M566-K611 PolarHBondContact O-NZ 3.39Å; M566-M615 HydrophobicContact CE-SD 4.21Å; M566-M615 HydrophobicContact SD-SD 4.5Å | ||
| 567 | K | 77.5 | Confident | 81.5 | Confident | 182 Ų | 182 | 61.9 Ų | 61.9 | 79% | 0.791 | 32% | 0.324 | S | S | * | . | trans | -73.5 | 131.6 | 172.1 | -68.3 | -177.8 | 179.6 | 178 | 0 | 109.1 | V571 | K567-V571 WeakPolarHBondContact O-CG2 3.49Š| ||
| 568 | L | 80.7 | Confident | 81.6 | Confident | 23 Ų | 23 | 62.7 Ų | 62.7 | 12% | 0.12 | 33% | 0.326 | C | S | . | . | trans | -92 | -19.9 | -174.7 | -53.4 | 177.6 | 0 | 0 | 0 | 113.7 | A485 R488 V571 W573 M655 | A485-L568 HydrophobicContact CB-CB 4.24Å; R488-L568 PolarHBondContact NH2-O 3.49Å; L568-V571 PolarHBondContact O-N 3.47Å; L568-W573 HydrophobicContact CB-CZ2 4.49Å; L568-W573 HydrophobicContact CD2-CH2 3.65Å; L568-W573 HydrophobicContact CD2-CZ2 3.57Å; L568-M655 HydrophobicContact CD1-SD 4.03Å | ||
| 569 | V | 81.3 | Confident | 81.7 | Confident | 63 Ų | 63 | 59.4 Ų | 59.4 | 38% | 0.382 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | 132.3 | -175.8 | 177.2 | 0 | 0 | 0 | 0 | 110.4 | A485 V571 | A485-V569 HydrophobicContact CB-CB 4.43Å; A485-V569 HydrophobicContact CB-CG2 3.88Å; V569-V571 PolarHBondContact O-N 2.91Å; V569-V571 VanDerWaalsContact O-N 3.08Å |
| 570 | Q | 79.4 | Confident | 82 | Confident | 139 Ų | 139 | 56.4 Ų | 56.4 | 65% | 0.65 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.6 | 13.7 | 178.7 | -65.3 | 179.8 | -18.6 | 0 | 0 | 115.6 | I477 E480 | I477-Q570 HydrophobicContact CG2-CB 4.47Å; I477-Q570 HydrophobicContact CG2-CG 4.05Å; E480-Q570 PolarHBondContact OE1-N 2.81Å |
| 571 | V | 84.2 | Confident | 82.2 | Confident | 24 Ų | 24 | 56.1 Ų | 56.1 | 15% | 0.145 | 29% | 0.289 | C | S | . | . | trans | -75.8 | 130.5 | 175.5 | 177.7 | 0 | 0 | 0 | 0 | 111 | R488 M566 K567 L568 V569 W573 I576 | R488-V571 PolarHBondContact NH1-O 3.42Å; R488-V571 PolarHBondContact NH2-O 3.48Å; M566-V571 HydrophobicContact CE-CG1 4.21Å; K567-V571 WeakPolarHBondContact O-CG2 3.49Å; L568-V571 PolarHBondContact O-N 3.47Å; V569-V571 PolarHBondContact O-N 2.91Å; V569-V571 VanDerWaalsContact O-N 3.08Å; V571-W573 HydrophobicContact CB-CZ2 4.23Å; V571-W573 HydrophobicContact CG1-CD2 3.87Å; V571-W573 HydrophobicContact CG1-CE3 4.1Å; V571-W573 HydrophobicContact CG1-CG 4.37Å; V571-W573 HydrophobicContact CG1-CH2 4.3Å; V571-W573 HydrophobicContact CG1-CZ2 4.06Å; V571-W573 HydrophobicContact CG1-CZ3 4.32Å; V571-I576 HydrophobicContact CG1-CD1 4.46Å; V571-I576 HydrophobicContact CG1-CG1 3.79Å | ||
| 572 | K | 86.7 | Confident | 82.4 | Confident | 90 Ų | 90 | 54 Ų | 54 | 39% | 0.391 | 28% | 0.28 | S | S | . | . | trans | -92.7 | 95.8 | 169.4 | -69.9 | -178.2 | -177.7 | -175.7 | 0 | 110.5 | I477 H574 E575 I576 | I477-K572 HydrophobicContact CD1-CG 3.58Å; K572-H574 VanDerWaalsContact C-N 3.32Å; K572-H574 PolarHBondContact O-N 2.83Å; K572-E575 HydrophobicContact CB-CB 4.28Å; K572-E575 HydrophobicContact CB-CG 4.02Å; K572-E575 HydrophobicContact CD-CG 4.18Å; K572-E575 WeakPolarHBondContact CD-OE1 3.35Å; K572-E575 IonicContact NZ-OE1 3.39Å; K572-E575 PolarHBondContact NZ-OE1 3.42Å; K572-E575 PolarHBondContact O-N 3.27Å; K572-E575 VanDerWaalsContact O-N 3.08Å; K572-I576 PolarHBondContact O-N 3.33Å | ||
| 573 | W | 87.7 | Confident | 82.9 | Confident | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.008 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -61.5 | -32.7 | -172 | -65.7 | 105.4 | 0 | 0 | 0 | 115.2 | A489 F492 M566 L568 V571 I576 C577 V612 M615 | A489-W573 HydrophobicContact CB-CZ2 3.53Å; A489-W573 VanDerWaalsContact CB-NE1 3.35Å; F492-W573 HydrophobicContact CB-CB 4.45Å; F492-W573 HydrophobicContact CD1-CB 3.43Å; F492-W573 VanDerWaalsContact CD1-CB 3.43Å; F492-W573 HydrophobicContact CD1-CG 4.07Å; F492-W573 HydrophobicContact CD2-CB 4.04Å; F492-W573 HydrophobicContact CE1-CB 3.54Å; F492-W573 HydrophobicContact CE2-CB 4.13Å; F492-W573 HydrophobicContact CG-CB 3.69Å; F492-W573 HydrophobicContact CG-CG 4.26Å; F492-W573 HydrophobicContact CZ-CB 3.89Å; M566-W573 HydrophobicContact CE-CE3 4.23Å; M566-W573 HydrophobicContact CE-CH2 3.49Å; M566-W573 VanDerWaalsContact CE-CH2 3.49Å; M566-W573 HydrophobicContact CE-CZ3 3.28Å; L568-W573 HydrophobicContact CB-CZ2 4.49Å; L568-W573 HydrophobicContact CD2-CH2 3.65Å; L568-W573 HydrophobicContact CD2-CZ2 3.57Å; V571-W573 HydrophobicContact CB-CZ2 4.23Å; V571-W573 HydrophobicContact CG1-CD2 3.87Å; V571-W573 HydrophobicContact CG1-CE3 4.1Å; V571-W573 HydrophobicContact CG1-CG 4.37Å; V571-W573 HydrophobicContact CG1-CH2 4.3Å; V571-W573 HydrophobicContact CG1-CZ2 4.06Å; V571-W573 HydrophobicContact CG1-CZ3 4.32Å; W573-I576 PolarHBondContact O-N 2.92Å; W573-C577 PolarHBondContact O-N 2.78Å; W573-C577 PolarHBondContact O-SG 3.34Å; W573-V612 HydrophobicContact CE3-CB 4.44Å; W573-V612 HydrophobicContact CE3-CG1 4Å; W573-V612 HydrophobicContact CE3-CG2 4.16Å; W573-V612 HydrophobicContact CH2-CB 4.36Å; W573-V612 HydrophobicContact CH2-CG2 3.43Å; W573-V612 VanDerWaalsContact CH2-CG2 3.43Å; W573-V612 HydrophobicContact CZ2-CG2 4.15Å; W573-V612 HydrophobicContact CZ3-CB 3.88Å; W573-V612 HydrophobicContact CZ3-CG1 3.95Å; W573-V612 HydrophobicContact CZ3-CG2 3.44Å; W573-V612 VanDerWaalsContact CZ3-CG2 3.44Å; W573-M615 HydrophobicContact CZ3-SD 4.36Å |
| 574 | H | 87.4 | Confident | 84 | Confident | 28 Ų | 28 | 46.5 Ų | 46.5 | 13% | 0.13 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.2 | -39.9 | 174.1 | 61.9 | -82 | 0 | 0 | 0 | 112.3 | F492 F523 K572 C577 L578 | F492-H574 HydrophobicContact CE2-CB 4.39Å; F523-H574 HydrophobicContact CB-CB 4.42Å; F523-H574 HydrophobicContact CD1-CB 3.87Å; F523-H574 HydrophobicContact CD2-CB 3.86Å; F523-H574 HydrophobicContact CE1-CB 4.1Å; F523-H574 HydrophobicContact CE2-CB 4.09Å; F523-H574 HydrophobicContact CG-CB 3.75Å; F523-H574 HydrophobicContact CZ-CB 4.21Å; K572-H574 VanDerWaalsContact C-N 3.32Å; K572-H574 PolarHBondContact O-N 2.83Å; H574-C577 PolarHBondContact O-N 3.04Å; H574-L578 WeakPolarHBondContact O-CG 3.22Å; H574-L578 PolarHBondContact O-N 3.28Å; H574-L578 VanDerWaalsContact O-N 3.08Å |
| 575 | E | 87.3 | Confident | 85.3 | Confident | 51 Ų | 51 | 43.9 Ų | 43.9 | 24% | 0.238 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -67.5 | -37.3 | 176 | -60.7 | -170.6 | -164.6 | 0 | 0 | 111.3 | K552 K572 L578 S579 | K552-E575 IonicContact NZ-OE2 2.75Å; K552-E575 PolarHBondContact NZ-OE2 2.75Å; K572-E575 HydrophobicContact CB-CB 4.28Å; K572-E575 HydrophobicContact CB-CG 4.02Å; K572-E575 HydrophobicContact CD-CG 4.18Å; K572-E575 WeakPolarHBondContact CD-OE1 3.35Å; K572-E575 IonicContact NZ-OE1 3.39Å; K572-E575 PolarHBondContact NZ-OE1 3.42Å; K572-E575 PolarHBondContact O-N 3.27Å; K572-E575 VanDerWaalsContact O-N 3.08Å; E575-L578 PolarHBondContact O-N 3.45Å; E575-S579 WeakPolarHBondContact O-CB 3.44Å; E575-S579 PolarHBondContact O-N 3.2Å; E575-S579 PolarHBondContact O-OG 3.15Å |
| 576 | I | 89.2 | Confident | 86.5 | Confident | 33 Ų | 33 | 42.8 Ų | 42.8 | 17% | 0.169 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.5 | -44.8 | 174.1 | -60.7 | -64.1 | 0 | 0 | 0 | 110.8 | L556 M566 V571 K572 W573 L578 S579 T580 M615 | L556-I576 HydrophobicContact CD1-CD1 4.37Å; L556-I576 HydrophobicContact CD1-CG2 4.47Å; M566-I576 HydrophobicContact CE-CG1 4.42Å; M566-I576 HydrophobicContact CE-CG2 4.39Å; V571-I576 HydrophobicContact CG1-CD1 4.46Å; V571-I576 HydrophobicContact CG1-CG1 3.79Å; K572-I576 PolarHBondContact O-N 3.33Å; W573-I576 PolarHBondContact O-N 2.92Å; I576-L578 VanDerWaalsContact C-N 3.33Å; I576-L578 PolarHBondContact O-N 2.92Å; I576-S579 CarbonylContact O-C 3.6Å; I576-S579 PolarHBondContact O-N 2.95Å; I576-S579 VanDerWaalsContact O-N 3.13Å; I576-T580 PolarHBondContact O-N 3.04Å; I576-T580 PolarHBondContact O-OG1 2.89Å; I576-M615 HydrophobicContact CG2-CE 3.71Å; I576-M615 HydrophobicContact CG2-CG 3.9Å; I576-M615 HydrophobicContact CG2-SD 3.58Å; I576-M615 VanDerWaalsContact CG2-SD 3.58Å |
| 577 | C | 90 | Very high | 87.5 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.8 | -41 | 177.5 | -69.1 | 0 | 0 | 0 | 0 | 112.1 | F523 W573 H574 S579 P581 | F523-C577 HydrophobicContact CE2-CB 4.35Å; F523-C577 HydrophobicContact CZ-CB 3.77Å; W573-C577 PolarHBondContact O-N 2.78Å; W573-C577 PolarHBondContact O-SG 3.34Å; H574-C577 PolarHBondContact O-N 3.04Å; C577-S579 VanDerWaalsContact C-N 3.33Å; C577-P581 WeakPolarHBondContact O-CD 3.44Å |
| 578 | L | 87.8 | Confident | 88.2 | Confident | 53 Ų | 53 | 32.8 Ų | 32.8 | 28% | 0.277 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -68.9 | -30.3 | 174.9 | -68.2 | 172.8 | 0 | 0 | 0 | 113 | F523 H574 E575 I576 | F523-L578 HydrophobicContact CD2-CD1 4.37Å; F523-L578 HydrophobicContact CD2-CD2 4.48Å; F523-L578 HydrophobicContact CD2-CG 4.34Å; F523-L578 HydrophobicContact CE2-CD1 4.39Å; F523-L578 HydrophobicContact CE2-CD2 4.02Å; F523-L578 HydrophobicContact CE2-CG 3.88Å; H574-L578 WeakPolarHBondContact O-CG 3.22Å; H574-L578 PolarHBondContact O-N 3.28Å; H574-L578 VanDerWaalsContact O-N 3.08Å; E575-L578 PolarHBondContact O-N 3.45Å; I576-L578 VanDerWaalsContact C-N 3.33Å; I576-L578 PolarHBondContact O-N 2.92Å |
| 579 | S | 89.4 | Confident | 88.7 | Confident | 6 Ų | 6 | 34.2 Ų | 34.2 | 4% | 0.042 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -84.5 | -18.9 | 179.7 | -52.5 | 0 | 0 | 0 | 0 | 114 | E575 I576 C577 A582 A583 | E575-S579 WeakPolarHBondContact O-CB 3.44Å; E575-S579 PolarHBondContact O-N 3.2Å; E575-S579 PolarHBondContact O-OG 3.15Å; I576-S579 CarbonylContact O-C 3.6Å; I576-S579 PolarHBondContact O-N 2.95Å; I576-S579 VanDerWaalsContact O-N 3.13Å; C577-S579 VanDerWaalsContact C-N 3.33Å; S579-A582 PolarHBondContact O-N 2.65Å; S579-A583 PolarHBondContact O-N 2.79Å |
| 580 | T | 91.1 | Very high | 89.3 | Confident | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.006 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.6 | -43.4 | -177 | -60.9 | 0 | 0 | 0 | 0 | 113.1 | I576 A582 A583 I584 M615 C618 A619 | I576-T580 PolarHBondContact O-N 3.04Å; I576-T580 PolarHBondContact O-OG1 2.89Å; T580-A582 PolarHBondContact O-N 3.24Å; T580-A583 PolarHBondContact O-N 3.28Å; T580-I584 HydrophobicContact CG2-CG1 4.37Å; T580-I584 WeakPolarHBondContact O-CG1 3.19Å; T580-I584 PolarHBondContact O-N 3.46Å; T580-M615 WeakPolarHBondContact CG2-O 3.13Å; T580-C618 HydrophobicContact CG2-CB 4.37Å; T580-A619 HydrophobicContact CG2-CB 3.95Å |
| 581 | P | 90.6 | Very high | 90 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.006 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -55.2 | -48 | 174.4 | -32.3 | 40.2 | 0 | 0 | 0 | 113.9 | F546 C577 A583 I584 L585 W622 | F546-P581 HydrophobicContact CB-CB 4.43Å; F546-P581 HydrophobicContact CD1-CB 3.51Å; F546-P581 HydrophobicContact CD1-CG 3.55Å; F546-P581 HydrophobicContact CE1-CB 3.99Å; F546-P581 HydrophobicContact CE1-CG 3.67Å; F546-P581 HydrophobicContact CG-CB 4.2Å; C577-P581 WeakPolarHBondContact O-CD 3.44Å; P581-A583 PolarHBondContact O-N 3.23Å; P581-I584 PolarHBondContact O-N 3.38Å; P581-L585 PolarHBondContact O-N 3.04Å; P581-W622 HydrophobicContact CB-CB 3.82Å; P581-W622 HydrophobicContact CB-CG 3.75Å; P581-W622 HydrophobicContact CG-CB 4.18Å |
| 582 | A | 89.1 | Confident | 90.3 | Very high | 14 Ų | 14 | 29.1 Ų | 29.1 | 12% | 0.116 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64.4 | -40.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | P548 V553 S579 T580 I584 L585 E586 | P548-A582 HydrophobicContact CG-CB 4.18Å; V553-A582 HydrophobicContact CG1-CB 4.02Å; V553-A582 HydrophobicContact CG2-CB 3.75Å; S579-A582 PolarHBondContact O-N 2.65Å; T580-A582 PolarHBondContact O-N 3.24Å; A582-I584 VanDerWaalsContact C-N 3.33Å; A582-I584 PolarHBondContact O-N 2.73Å; A582-L585 PolarHBondContact O-N 3.43Å; A582-E586 WeakPolarHBondContact O-CG 3.28Å; A582-E586 PolarHBondContact O-N 3.06Å |
| 583 | A | 90.7 | Very high | 90.6 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.008 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.2 | -39.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V553 L556 V557 S579 T580 P581 E586 V587 | V553-A583 HydrophobicContact CG1-CB 4.37Å; L556-A583 HydrophobicContact CD2-CB 3.95Å; L556-A583 HydrophobicContact CG-CB 4.24Å; V557-A583 HydrophobicContact CG2-CB 3.71Å; S579-A583 PolarHBondContact O-N 2.79Å; T580-A583 PolarHBondContact O-N 3.28Å; P581-A583 PolarHBondContact O-N 3.23Å; A583-E586 PolarHBondContact O-N 3.16Å; A583-V587 WeakPolarHBondContact O-CG2 3.5Å; A583-V587 PolarHBondContact O-N 3.44Å; A583-V587 VanDerWaalsContact O-N 3.08Å |
| 584 | I | 92.5 | Very high | 90.7 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66.9 | -40.5 | 175.5 | -76.6 | -70.5 | 0 | 0 | 0 | 111.8 | T580 P581 A582 V587 L588 I608 A619 W622 L623 M641 | T580-I584 HydrophobicContact CG2-CG1 4.37Å; T580-I584 WeakPolarHBondContact O-CG1 3.19Å; T580-I584 PolarHBondContact O-N 3.46Å; P581-I584 PolarHBondContact O-N 3.38Å; A582-I584 VanDerWaalsContact C-N 3.33Å; A582-I584 PolarHBondContact O-N 2.73Å; I584-V587 PolarHBondContact O-N 2.74Å; I584-L588 WeakPolarHBondContact O-CB 3.37Å; I584-L588 PolarHBondContact O-N 3.23Å; I584-I608 HydrophobicContact CD1-CD1 3.41Å; I584-I608 VanDerWaalsContact CD1-CD1 3.41Å; I584-I608 HydrophobicContact CG1-CD1 4.15Å; I584-A619 HydrophobicContact CD1-CB 3.96Å; I584-A619 HydrophobicContact CG1-CB 3.6Å; I584-W622 HydrophobicContact CG2-CE3 3.93Å; I584-W622 HydrophobicContact CG2-CZ3 4.06Å; I584-L623 HydrophobicContact CG2-CD1 4.1Å; I584-L623 HydrophobicContact CG2-CD2 3.86Å; I584-L623 HydrophobicContact CG2-CG 3.85Å; I584-M641 HydrophobicContact CD1-SD 4.17Å; I584-M641 HydrophobicContact CG2-SD 3.97Å |
| 585 | L | 91.3 | Very high | 90.9 | Very high | 50 Ų | 50 | 38 Ų | 38 | 26% | 0.262 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -59 | -46.1 | 174.2 | 172.4 | 62.2 | 0 | 0 | 0 | 111.3 | P581 A582 V587 L588 N589 W622 | P581-L585 PolarHBondContact O-N 3.04Å; A582-L585 PolarHBondContact O-N 3.43Å; L585-V587 VanDerWaalsContact C-N 3.35Å; L585-V587 PolarHBondContact O-N 3.49Å; L585-L588 PolarHBondContact O-N 2.86Å; L585-N589 WeakPolarHBondContact O-CB 3.45Å; L585-N589 PolarHBondContact O-N 3.23Å; L585-N589 PolarHBondContact O-ND2 2.65Å; L585-W622 HydrophobicContact CB-CH2 3.76Å; L585-W622 HydrophobicContact CB-CZ2 3.89Å; L585-W622 HydrophobicContact CB-CZ3 4.3Å; L585-W622 HydrophobicContact CD1-CH2 3.53Å; L585-W622 HydrophobicContact CD1-CZ2 3.81Å; L585-W622 HydrophobicContact CD2-CZ2 4.22Å; L585-W622 HydrophobicContact CG-CH2 4.15Å; L585-W622 HydrophobicContact CG-CZ2 4.18Å |
| 586 | E | 90.6 | Very high | 91.1 | Very high | 106 Ų | 106 | 37.2 Ų | 37.2 | 50% | 0.495 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.9 | -41 | 176.6 | -70.9 | -58.8 | 149.5 | 0 | 0 | 112.4 | V553 V557 A582 A583 N589 A590 | V553-E586 HydrophobicContact CG1-CG 4.3Å; V557-E586 HydrophobicContact CG2-CB 4.38Å; A582-E586 WeakPolarHBondContact O-CG 3.28Å; A582-E586 PolarHBondContact O-N 3.06Å; A583-E586 PolarHBondContact O-N 3.16Å; E586-N589 PolarHBondContact O-N 2.72Å; E586-A590 VanDerWaalsContact O-CB 3.28Å; E586-A590 WeakPolarHBondContact O-CB 3.46Å; E586-A590 PolarHBondContact O-N 3.15Å |
| 587 | V | 92.6 | Very high | 91.2 | Very high | 3 Ų | 3 | 38.4 Ų | 38.4 | 2% | 0.018 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.3 | -41.4 | 176.3 | 173 | 0 | 0 | 0 | 0 | 111.2 | A583 I584 L585 A590 W591 L596 V601 I604 M641 | A583-V587 WeakPolarHBondContact O-CG2 3.5Å; A583-V587 PolarHBondContact O-N 3.44Å; A583-V587 VanDerWaalsContact O-N 3.08Å; I584-V587 PolarHBondContact O-N 2.74Å; L585-V587 VanDerWaalsContact C-N 3.35Å; L585-V587 PolarHBondContact O-N 3.49Å; V587-A590 PolarHBondContact O-N 2.76Å; V587-W591 WeakPolarHBondContact O-CB 3.43Å; V587-W591 PolarHBondContact O-N 3.34Å; V587-L596 HydrophobicContact CG1-CD1 4.05Å; V587-V601 HydrophobicContact CG1-CG1 4.34Å; V587-V601 HydrophobicContact CG1-CG2 4.29Å; V587-I604 HydrophobicContact CG1-CD1 4.17Å; V587-I604 HydrophobicContact CG1-CG2 4.28Å; V587-I604 HydrophobicContact CG2-CD1 4.18Å; V587-I604 HydrophobicContact CG2-CG2 4.04Å; V587-M641 HydrophobicContact CG1-CE 4.01Å |
| 588 | L | 92.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.5 | -48.2 | 176.2 | -180 | 64.3 | 0 | 0 | 0 | 111 | I584 L585 A590 W591 E592 W622 L623 K637 P638 M641 | I584-L588 WeakPolarHBondContact O-CB 3.37Å; I584-L588 PolarHBondContact O-N 3.23Å; L585-L588 PolarHBondContact O-N 2.86Å; L588-A590 VanDerWaalsContact C-N 3.31Å; L588-A590 PolarHBondContact O-N 3.28Å; L588-W591 HydrophobicContact CD1-CE3 4.4Å; L588-W591 CarbonylContact O-C 3.57Å; L588-W591 WeakPolarHBondContact O-CB 3.25Å; L588-W591 PolarHBondContact O-N 3.36Å; L588-W591 VanDerWaalsContact O-N 3.08Å; L588-E592 HydrophobicContact CD1-CG 4.36Å; L588-E592 HydrophobicContact CG-CG 4.49Å; L588-E592 WeakPolarHBondContact O-CB 3.48Å; L588-E592 WeakPolarHBondContact O-CG 3.24Å; L588-E592 PolarHBondContact O-N 2.77Å; L588-W622 HydrophobicContact CD2-CH2 4.45Å; L588-W622 HydrophobicContact CD2-CZ3 4.31Å; L588-L623 HydrophobicContact CD2-CD2 4.43Å; L588-K637 HydrophobicContact CD1-CB 4.2Å; L588-P638 HydrophobicContact CD1-CG 4.08Å; L588-P638 HydrophobicContact CD2-CB 4.49Å; L588-P638 HydrophobicContact CD2-CG 3.96Å; L588-M641 HydrophobicContact CB-CE 3.99Å; L588-M641 HydrophobicContact CD1-CE 4.02Å |
| 589 | N | 92 | Very high | 91.4 | Very high | 53 Ų | 53 | 45.5 Ų | 45.5 | 28% | 0.283 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -58.3 | -43.1 | 176.2 | -73.5 | -19 | 0 | 0 | 0 | 111.5 | L585 E586 W591 E592 N593 | L585-N589 WeakPolarHBondContact O-CB 3.45Å; L585-N589 PolarHBondContact O-N 3.23Å; L585-N589 PolarHBondContact O-ND2 2.65Å; E586-N589 PolarHBondContact O-N 2.72Å; N589-W591 VanDerWaalsContact C-N 3.31Å; N589-W591 PolarHBondContact O-N 3.3Å; N589-E592 PolarHBondContact O-N 3.09Å; N589-N593 WeakPolarHBondContact O-CB 3.25Å; N589-N593 PolarHBondContact O-N 3.14Å; N589-N593 PolarHBondContact O-ND2 2.96Å |
| 590 | A | 92.1 | Very high | 91.4 | Very high | 24 Ų | 24 | 46.4 Ų | 46.4 | 20% | 0.198 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.4 | -36.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | E586 V587 L588 G594 V595 L596 | E586-A590 VanDerWaalsContact O-CB 3.28Å; E586-A590 WeakPolarHBondContact O-CB 3.46Å; E586-A590 PolarHBondContact O-N 3.15Å; V587-A590 PolarHBondContact O-N 2.76Å; L588-A590 VanDerWaalsContact C-N 3.31Å; L588-A590 PolarHBondContact O-N 3.28Å; A590-G594 PolarHBondContact O-N 2.92Å; A590-V595 HydrophobicContact CB-CB 4.17Å; A590-V595 WeakPolarHBondContact O-CA 3.22Å; A590-V595 WeakPolarHBondContact O-CB 3.38Å; A590-V595 PolarHBondContact O-N 3.4Å; A590-L596 HydrophobicContact CB-CD1 3.76Å; A590-L596 HydrophobicContact CB-CG 3.86Å; A590-L596 PolarHBondContact O-N 3.49Å |
| 591 | W | 94.3 | Very high | 91.4 | Very high | 20 Ų | 20 | 46.3 Ų | 46.3 | 8% | 0.076 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -73.6 | -36.5 | 174.7 | -174.9 | 23.8 | 0 | 0 | 0 | 113 | V587 L588 N589 N593 G594 L596 V598 V601 K637 T640 M641 | V587-W591 WeakPolarHBondContact O-CB 3.43Å; V587-W591 PolarHBondContact O-N 3.34Å; L588-W591 HydrophobicContact CD1-CE3 4.4Å; L588-W591 CarbonylContact O-C 3.57Å; L588-W591 WeakPolarHBondContact O-CB 3.25Å; L588-W591 PolarHBondContact O-N 3.36Å; L588-W591 VanDerWaalsContact O-N 3.08Å; N589-W591 VanDerWaalsContact C-N 3.31Å; N589-W591 PolarHBondContact O-N 3.3Å; W591-N593 VanDerWaalsContact C-N 3.34Å; W591-G594 PolarHBondContact O-N 3.31Å; W591-L596 HydrophobicContact CB-CB 4.48Å; W591-L596 VanDerWaalsContact CD1-O 3.32Å; W591-V598 HydrophobicContact CZ2-CB 4.29Å; W591-V598 HydrophobicContact CZ2-CG1 4.03Å; W591-V598 HydrophobicContact CZ2-CG2 3.72Å; W591-V601 HydrophobicContact CB-CG2 3.83Å; W591-V601 HydrophobicContact CD2-CG2 3.87Å; W591-V601 HydrophobicContact CE3-CB 4.5Å; W591-V601 HydrophobicContact CE3-CG1 4.06Å; W591-V601 HydrophobicContact CE3-CG2 4.09Å; W591-V601 HydrophobicContact CG-CG2 3.77Å; W591-V601 HydrophobicContact CZ3-CG1 4.24Å; W591-K637 HydrophobicContact CD2-CD 4.19Å; W591-K637 HydrophobicContact CD2-CG 4.3Å; W591-K637 HydrophobicContact CE3-CB 4.07Å; W591-K637 HydrophobicContact CE3-CG 4.32Å; W591-K637 HydrophobicContact CG-CD 4.44Å; W591-K637 HydrophobicContact CH2-CB 4.27Å; W591-K637 HydrophobicContact CH2-CG 4.24Å; W591-K637 HydrophobicContact CZ2-CG 4.18Å; W591-K637 HydrophobicContact CZ3-CB 3.95Å; W591-K637 HydrophobicContact CZ3-CG 4.31Å; W591-K637 WeakPolarHBondContact CZ3-O 3.47Å; W591-K637 PolarHBondContact O-NZ 3.41Å; W591-T640 HydrophobicContact CH2-CG2 3.85Å; W591-M641 HydrophobicContact CE3-CE 3.91Å; W591-M641 HydrophobicContact CZ3-CB 4.34Å; W591-M641 HydrophobicContact CZ3-CE 4.3Å |
| 592 | E | 91.4 | Very high | 91.4 | Very high | 75 Ų | 75 | 49 Ų | 49 | 35% | 0.35 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.3 | -42.4 | 175.3 | -78.4 | 178.4 | 175.6 | 0 | 0 | 111.8 | L588 N589 G594 K637 | L588-E592 HydrophobicContact CD1-CG 4.36Å; L588-E592 HydrophobicContact CG-CG 4.49Å; L588-E592 WeakPolarHBondContact O-CB 3.48Å; L588-E592 WeakPolarHBondContact O-CG 3.24Å; L588-E592 PolarHBondContact O-N 2.77Å; N589-E592 PolarHBondContact O-N 3.09Å; E592-G594 VanDerWaalsContact C-N 3.28Å; E592-G594 PolarHBondContact O-N 3.38Å; E592-K637 HydrophobicContact CG-CD 3.78Å; E592-K637 PolarHBondContact O-NZ 3.11Å |
| 593 | N | 92.3 | Very high | 91.4 | Very high | 130 Ų | 130 | 53.3 Ų | 53.3 | 70% | 0.695 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | 4.3 | 177.4 | -67.4 | -60.5 | 0 | 0 | 0 | 114.5 | N589 W591 V595 | N589-N593 WeakPolarHBondContact O-CB 3.25Å; N589-N593 PolarHBondContact O-N 3.14Å; N589-N593 PolarHBondContact O-ND2 2.96Å; W591-N593 VanDerWaalsContact C-N 3.34Å; N593-V595 VanDerWaalsContact C-N 3.32Å; N593-V595 HydrophobicContact CB-CG2 4.38Å; N593-V595 PolarHBondContact O-N 3.47Å |
| 594 | G | 89.4 | Confident | 91.4 | Very high | 63 Ų | 63 | 53.4 Ų | 53.4 | 65% | 0.649 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.7 | 14.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | A590 W591 E592 | A590-G594 PolarHBondContact O-N 2.92Å; W591-G594 PolarHBondContact O-N 3.31Å; E592-G594 VanDerWaalsContact C-N 3.28Å; E592-G594 PolarHBondContact O-N 3.38Å |
| 595 | V | 92.1 | Very high | 91.3 | Very high | 114 Ų | 114 | 53.3 Ų | 53.3 | 69% | 0.691 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -75.5 | -34.4 | 176 | -178.5 | 0 | 0 | 0 | 0 | 111.3 | A590 N593 | A590-V595 HydrophobicContact CB-CB 4.17Å; A590-V595 WeakPolarHBondContact O-CA 3.22Å; A590-V595 WeakPolarHBondContact O-CB 3.38Å; A590-V595 PolarHBondContact O-N 3.4Å; N593-V595 VanDerWaalsContact C-N 3.32Å; N593-V595 HydrophobicContact CB-CG2 4.38Å; N593-V595 PolarHBondContact O-N 3.47Å |
| 596 | L | 91.4 | Very high | 91.1 | Very high | 34 Ų | 34 | 53 Ų | 53 | 18% | 0.178 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -110.2 | 141.6 | 176 | -66.4 | 177.4 | 0 | 0 | 0 | 111.6 | V587 A590 W591 A600 V601 I604 | V587-L596 HydrophobicContact CG1-CD1 4.05Å; A590-L596 HydrophobicContact CB-CD1 3.76Å; A590-L596 HydrophobicContact CB-CG 3.86Å; A590-L596 PolarHBondContact O-N 3.49Å; W591-L596 HydrophobicContact CB-CB 4.48Å; W591-L596 VanDerWaalsContact CD1-O 3.32Å; L596-A600 HydrophobicContact CD2-CB 4.18Å; L596-V601 HydrophobicContact CB-CG2 4.07Å; L596-V601 HydrophobicContact CD1-CG2 4.38Å; L596-I604 HydrophobicContact CD1-CD1 4.1Å |
| 597 | S | 92.1 | Very high | 90.9 | Very high | 58 Ų | 58 | 50.1 Ų | 50.1 | 41% | 0.406 | 29% | 0.285 | S | S | . | . | trans | -82.2 | 163.4 | 168.7 | 84.6 | 0 | 0 | 0 | 0 | 111.3 | E599 A600 V601 | S597-E599 WeakPolarHBondContact CB-OE2 3.48Å; S597-E599 PolarHBondContact O-N 3.46Å; S597-E599 PolarHBondContact OG-N 2.98Å; S597-E599 PolarHBondContact OG-OE2 3.11Å; S597-A600 PolarHBondContact O-N 3.07Å; S597-A600 VanDerWaalsContact O-N 3.15Å; S597-A600 PolarHBondContact OG-N 3.41Å; S597-V601 WeakPolarHBondContact O-CG2 3.35Å; S597-V601 PolarHBondContact O-N 3.13Å | ||
| 598 | V | 90.9 | Very high | 90.7 | Very high | 63 Ų | 63 | 50.1 Ų | 50.1 | 38% | 0.382 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.2 | -35.3 | 178.2 | -172 | 0 | 0 | 0 | 0 | 111.4 | W591 V601 Q602 | W591-V598 HydrophobicContact CZ2-CB 4.29Å; W591-V598 HydrophobicContact CZ2-CG1 4.03Å; W591-V598 HydrophobicContact CZ2-CG2 3.72Å; V598-V601 PolarHBondContact O-N 3.33Å; V598-Q602 WeakPolarHBondContact O-CB 3.24Å; V598-Q602 PolarHBondContact O-N 3.47Å |
| 599 | E | 90.4 | Very high | 90.3 | Very high | 138 Ų | 138 | 50.2 Ų | 50.2 | 65% | 0.645 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -69.1 | -38 | 177.7 | -55.4 | 74.3 | -159.6 | 0 | 0 | 111.8 | S597 Q602 K603 | S597-E599 WeakPolarHBondContact CB-OE2 3.48Å; S597-E599 PolarHBondContact O-N 3.46Å; S597-E599 PolarHBondContact OG-N 2.98Å; S597-E599 PolarHBondContact OG-OE2 3.11Å; E599-Q602 PolarHBondContact O-N 3.26Å; E599-K603 PolarHBondContact O-N 3.2Å |
| 600 | A | 89.8 | Confident | 89.6 | Confident | 25 Ų | 25 | 48.4 Ų | 48.4 | 21% | 0.207 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.3 | -40.7 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | L596 S597 K603 I604 | L596-A600 HydrophobicContact CD2-CB 4.18Å; S597-A600 PolarHBondContact O-N 3.07Å; S597-A600 VanDerWaalsContact O-N 3.15Å; S597-A600 PolarHBondContact OG-N 3.41Å; A600-K603 PolarHBondContact O-N 3.13Å; A600-I604 WeakPolarHBondContact O-CG1 3.01Å; A600-I604 PolarHBondContact O-N 2.94Å |
| 601 | V | 91.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.4 | -45.4 | 173.3 | 177.9 | 0 | 0 | 0 | 0 | 110.9 | V587 W591 L596 S597 V598 K603 I604 T605 M641 | V587-V601 HydrophobicContact CG1-CG1 4.34Å; V587-V601 HydrophobicContact CG1-CG2 4.29Å; W591-V601 HydrophobicContact CB-CG2 3.83Å; W591-V601 HydrophobicContact CD2-CG2 3.87Å; W591-V601 HydrophobicContact CE3-CB 4.5Å; W591-V601 HydrophobicContact CE3-CG1 4.06Å; W591-V601 HydrophobicContact CE3-CG2 4.09Å; W591-V601 HydrophobicContact CG-CG2 3.77Å; W591-V601 HydrophobicContact CZ3-CG1 4.24Å; L596-V601 HydrophobicContact CB-CG2 4.07Å; L596-V601 HydrophobicContact CD1-CG2 4.38Å; S597-V601 WeakPolarHBondContact O-CG2 3.35Å; S597-V601 PolarHBondContact O-N 3.13Å; V598-V601 PolarHBondContact O-N 3.33Å; V601-K603 VanDerWaalsContact C-N 3.33Å; V601-K603 PolarHBondContact O-N 3.39Å; V601-I604 PolarHBondContact O-N 2.94Å; V601-I604 VanDerWaalsContact O-N 3.13Å; V601-T605 HydrophobicContact CG1-CG2 4.29Å; V601-T605 WeakPolarHBondContact O-CG2 3.47Å; V601-T605 PolarHBondContact O-N 2.96Å; V601-T605 PolarHBondContact O-OG1 3.35Å; V601-M641 HydrophobicContact CG1-CE 3.62Å; V601-M641 HydrophobicContact CG1-CG 4.38Å |
| 602 | Q | 90.1 | Very high | 88 | Confident | 58 Ų | 58 | 49 Ų | 49 | 27% | 0.271 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -55 | -49.1 | 175.4 | -178 | 65.1 | 52 | 0 | 0 | 110.8 | V598 E599 I604 T605 D606 | V598-Q602 WeakPolarHBondContact O-CB 3.24Å; V598-Q602 PolarHBondContact O-N 3.47Å; E599-Q602 PolarHBondContact O-N 3.26Å; Q602-I604 VanDerWaalsContact C-N 3.32Å; Q602-I604 PolarHBondContact O-N 2.92Å; Q602-T605 WeakPolarHBondContact CA-OG1 3.26Å; Q602-T605 PolarHBondContact O-N 2.83Å; Q602-T605 PolarHBondContact O-OG1 2.74Å; Q602-D606 PolarHBondContact NE2-OD1 3.42Å; Q602-D606 PolarHBondContact NE2-OD2 3.18Å; Q602-D606 WeakPolarHBondContact O-CB 3.46Å; Q602-D606 VanDerWaalsContact O-CG 3.22Å; Q602-D606 PolarHBondContact O-N 3.06Å |
| 603 | K | 89 | Confident | 87.9 | Confident | 104 Ų | 104 | 45.4 Ų | 45.4 | 45% | 0.452 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -56.6 | -44 | 177.2 | -174.1 | -167.7 | 177.5 | -157.4 | 0 | 112.3 | N561 E599 A600 V601 D606 N607 | N561-K603 PolarHBondContact O-NZ 2.92Å; E599-K603 PolarHBondContact O-N 3.2Å; A600-K603 PolarHBondContact O-N 3.13Å; V601-K603 VanDerWaalsContact C-N 3.33Å; V601-K603 PolarHBondContact O-N 3.39Å; K603-D606 PolarHBondContact O-N 2.87Å; K603-N607 PolarHBondContact O-N 3.23Å |
| 604 | I | 90.1 | Very high | 87.9 | Confident | 2 Ų | 2 | 39.2 Ų | 39.2 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.5 | -46.2 | 177.4 | -70.1 | 166.2 | 0 | 0 | 0 | 110.7 | L560 V587 L596 A600 V601 Q602 D606 N607 I608 | L560-I604 HydrophobicContact CB-CG2 4.19Å; L560-I604 HydrophobicContact CD1-CG2 4.5Å; V587-I604 HydrophobicContact CG1-CD1 4.17Å; V587-I604 HydrophobicContact CG1-CG2 4.28Å; V587-I604 HydrophobicContact CG2-CD1 4.18Å; V587-I604 HydrophobicContact CG2-CG2 4.04Å; L596-I604 HydrophobicContact CD1-CD1 4.1Å; A600-I604 WeakPolarHBondContact O-CG1 3.01Å; A600-I604 PolarHBondContact O-N 2.94Å; V601-I604 PolarHBondContact O-N 2.94Å; V601-I604 VanDerWaalsContact O-N 3.13Å; Q602-I604 VanDerWaalsContact C-N 3.32Å; Q602-I604 PolarHBondContact O-N 2.92Å; I604-D606 VanDerWaalsContact C-N 3.3Å; I604-D606 PolarHBondContact O-N 3.33Å; I604-N607 WeakPolarHBondContact O-CB 3.24Å; I604-N607 PolarHBondContact O-N 3.14Å; I604-I608 HydrophobicContact CG2-CD1 4.26Å; I604-I608 WeakPolarHBondContact O-CG1 3.45Å; I604-I608 PolarHBondContact O-N 3.37Å |
| 605 | T | 90.5 | Very high | 88 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64 | -34.3 | 177.6 | 62.5 | 0 | 0 | 0 | 0 | 112.6 | V601 Q602 I608 K609 M641 Q644 L645 | V601-T605 HydrophobicContact CG1-CG2 4.29Å; V601-T605 WeakPolarHBondContact O-CG2 3.47Å; V601-T605 PolarHBondContact O-N 2.96Å; V601-T605 PolarHBondContact O-OG1 3.35Å; Q602-T605 WeakPolarHBondContact CA-OG1 3.26Å; Q602-T605 PolarHBondContact O-N 2.83Å; Q602-T605 PolarHBondContact O-OG1 2.74Å; T605-I608 PolarHBondContact O-N 2.96Å; T605-K609 WeakPolarHBondContact O-CG 3.02Å; T605-K609 PolarHBondContact O-N 3.47Å; T605-M641 HydrophobicContact CG2-CG 3.87Å; T605-Q644 HydrophobicContact CG2-CB 4.31Å; T605-L645 HydrophobicContact CG2-CD2 4.08Å; T605-L645 HydrophobicContact CG2-CG 3.98Å |
| 606 | D | 87.6 | Confident | 88 | Confident | 43 Ų | 43 | 31 Ų | 31 | 23% | 0.23 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.3 | -42 | 172.9 | -69.5 | -22.7 | 0 | 0 | 0 | 111.7 | Q602 K603 I604 I608 K609 G610 L649 | Q602-D606 PolarHBondContact NE2-OD1 3.42Å; Q602-D606 PolarHBondContact NE2-OD2 3.18Å; Q602-D606 WeakPolarHBondContact O-CB 3.46Å; Q602-D606 VanDerWaalsContact O-CG 3.22Å; Q602-D606 PolarHBondContact O-N 3.06Å; K603-D606 PolarHBondContact O-N 2.87Å; I604-D606 VanDerWaalsContact C-N 3.3Å; I604-D606 PolarHBondContact O-N 3.33Å; D606-I608 VanDerWaalsContact C-N 3.33Å; D606-I608 PolarHBondContact O-N 2.91Å; D606-K609 PolarHBondContact O-N 3.21Å; D606-K609 WeakPolarHBondContact OD1-CE 3.24Å; D606-K609 IonicContact OD1-NZ 3.67Å; D606-K609 PolarHBondContact OD1-NZ 3.27Å; D606-G610 PolarHBondContact O-N 2.8Å; D606-L649 HydrophobicContact CB-CD2 3.95Å; D606-L649 WeakPolarHBondContact OD1-CD2 3.45Å |
| 607 | N | 87.3 | Confident | 88.1 | Confident | 45 Ų | 45 | 29.4 Ų | 29.4 | 24% | 0.241 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.2 | -35.5 | 174.9 | -74.8 | -17.8 | 0 | 0 | 0 | 112.8 | L560 S563 K603 I604 G610 | L560-N607 HydrophobicContact CD2-CB 4.09Å; L560-N607 PolarHBondContact O-ND2 3.45Å; S563-N607 PolarHBondContact O-ND2 3.32Å; K603-N607 PolarHBondContact O-N 3.23Å; I604-N607 WeakPolarHBondContact O-CB 3.24Å; I604-N607 PolarHBondContact O-N 3.14Å; N607-G610 PolarHBondContact O-N 3.01Å |
| 608 | I | 87.9 | Confident | 88.1 | Confident | 3 Ų | 3 | 26.7 Ų | 26.7 | 2% | 0.015 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.5 | -44.6 | 177.7 | -70.1 | 173 | 0 | 0 | 0 | 111.7 | L560 I584 I604 T605 D606 M615 A616 L645 | L560-I608 HydrophobicContact CD1-CD1 4.03Å; L560-I608 HydrophobicContact CD1-CG1 3.79Å; L560-I608 HydrophobicContact CD2-CG1 3.74Å; L560-I608 HydrophobicContact CG-CG1 4.4Å; I584-I608 HydrophobicContact CD1-CD1 3.41Å; I584-I608 VanDerWaalsContact CD1-CD1 3.41Å; I584-I608 HydrophobicContact CG1-CD1 4.15Å; I604-I608 HydrophobicContact CG2-CD1 4.26Å; I604-I608 WeakPolarHBondContact O-CG1 3.45Å; I604-I608 PolarHBondContact O-N 3.37Å; T605-I608 PolarHBondContact O-N 2.96Å; D606-I608 VanDerWaalsContact C-N 3.33Å; D606-I608 PolarHBondContact O-N 2.91Å; I608-M615 HydrophobicContact CG2-CB 3.97Å; I608-A616 HydrophobicContact CG2-CB 4.07Å; I608-L645 HydrophobicContact CB-CD2 4.21Å; I608-L645 HydrophobicContact CG2-CD2 3.99Å |
| 609 | K | 83.6 | Confident | 88.2 | Confident | 3 Ų | 3 | 23.7 Ų | 23.7 | 1% | 0.013 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -85.2 | -9.8 | -179.5 | 66.9 | -171.5 | 163.3 | 175.3 | 0 | 114 | T605 D606 K611 A616 Q644 T647 L649 Y658 | T605-K609 WeakPolarHBondContact O-CG 3.02Å; T605-K609 PolarHBondContact O-N 3.47Å; D606-K609 PolarHBondContact O-N 3.21Å; D606-K609 WeakPolarHBondContact OD1-CE 3.24Å; D606-K609 IonicContact OD1-NZ 3.67Å; D606-K609 PolarHBondContact OD1-NZ 3.27Å; K609-K611 PolarHBondContact O-N 3.27Å; K609-A616 HydrophobicContact CB-CB 3.94Å; K609-Q644 PolarHBondContact NZ-O 2.68Å; K609-T647 WeakPolarHBondContact CD-O 3.39Å; K609-T647 WeakPolarHBondContact CE-O 3.3Å; K609-T647 PolarHBondContact NZ-O 2.97Å; K609-L649 HydrophobicContact CD-CG 4.17Å; K609-L649 HydrophobicContact CG-CD1 3.85Å; K609-L649 HydrophobicContact CG-CG 4.04Å; K609-Y658 PolarHBondContact O-OH 3.48Å |
| 610 | G | 77.3 | Confident | 88.3 | Confident | 15 Ų | 15 | 17.1 Ų | 17.1 | 16% | 0.155 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -20.5 | -168.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | D606 N607 N653 | D606-G610 PolarHBondContact O-N 2.8Å; N607-G610 PolarHBondContact O-N 3.01Å; G610-N653 PolarHBondContact O-ND2 3.46Å |
| 611 | K | 71.6 | Confident | 88.4 | Confident | 50 Ų | 50 | 15.9 Ų | 15.9 | 22% | 0.217 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -130.6 | -37.2 | 178.7 | -67.5 | -167.3 | -178.8 | -171.8 | 0 | 114 | M566 K609 R661 | M566-K611 PolarHBondContact O-NZ 3.39Å; K609-K611 PolarHBondContact O-N 3.27Å; K611-R661 PolarHBondContact O-NH1 2.98Å |
| 612 | V | 80.8 | Confident | 88.4 | Confident | 6 Ų | 6 | 16.2 Ų | 16.2 | 4% | 0.036 | 8% | 0.08 | C | C | . | . | trans | -134.1 | 110.8 | -172 | 175.8 | 0 | 0 | 0 | 0 | 108.7 | D493 W573 S614 M615 | D493-V612 HydrophobicContact CB-CG1 4.12Å; D493-V612 VanDerWaalsContact OD1-CG1 3.22Å; D493-V612 WeakPolarHBondContact OD1-CG1 3.49Å; W573-V612 HydrophobicContact CE3-CB 4.44Å; W573-V612 HydrophobicContact CE3-CG1 4Å; W573-V612 HydrophobicContact CE3-CG2 4.16Å; W573-V612 HydrophobicContact CH2-CB 4.36Å; W573-V612 HydrophobicContact CH2-CG2 3.43Å; W573-V612 VanDerWaalsContact CH2-CG2 3.43Å; W573-V612 HydrophobicContact CZ2-CG2 4.15Å; W573-V612 HydrophobicContact CZ3-CB 3.88Å; W573-V612 HydrophobicContact CZ3-CG1 3.95Å; W573-V612 HydrophobicContact CZ3-CG2 3.44Å; W573-V612 VanDerWaalsContact CZ3-CG2 3.44Å; V612-S614 VanDerWaalsContact C-N 3.3Å; V612-S614 WeakPolarHBondContact CG1-OG 3.35Å; V612-S614 PolarHBondContact O-N 3.06Å; V612-M615 HydrophobicContact CG1-CG 4.4Å; V612-M615 PolarHBondContact O-N 3.01Å | ||
| 613 | C | 89.6 | Confident | 88.5 | Confident | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -69.7 | -28 | -171.6 | -67 | 0 | 0 | 0 | 0 | 112.7 | D493 L497 M615 A616 I617 M665 | D493-C613 PolarHBondContact OD1-N 2.93Å; D493-C613 VanDerWaalsContact OD1-N 3.08Å; D493-C613 PolarHBondContact OD2-N 3.28Å; L497-C613 HydrophobicContact CD1-CB 3.92Å; L497-C613 HydrophobicContact CD2-CB 3.85Å; L497-C613 HydrophobicContact CG-CB 4.27Å; C613-M615 VanDerWaalsContact C-N 3.26Å; C613-M615 PolarHBondContact O-N 2.9Å; C613-A616 PolarHBondContact O-N 3.2Å; C613-A616 VanDerWaalsContact O-N 3.13Å; C613-I617 PolarHBondContact O-N 2.65Å; C613-I617 VanDerWaalsContact O-N 3.11Å; C613-M665 HydrophobicContact CB-CB 3.99Å; C613-M665 HydrophobicContact CB-CG 3.98Å; C613-M665 HydrophobicContact CB-SD 3.53Å; C613-M665 VanDerWaalsContact CB-SD 3.53Å |
| 614 | S | 92.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 8.5 Ų | 8.5 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -59.7 | -32.1 | 177.6 | 47.1 | 0 | 0 | 0 | 0 | 113.3 | D493 V612 I617 C618 | D493-S614 WeakPolarHBondContact OD1-CB 3.4Å; D493-S614 PolarHBondContact OD1-N 3.49Å; D493-S614 PolarHBondContact OD1-OG 2.91Å; V612-S614 VanDerWaalsContact C-N 3.3Å; V612-S614 WeakPolarHBondContact CG1-OG 3.35Å; V612-S614 PolarHBondContact O-N 3.06Å; S614-I617 PolarHBondContact O-N 3.08Å; S614-C618 PolarHBondContact O-N 2.84Å; S614-C618 PolarHBondContact O-SG 2.95Å |
| 615 | M | 91.6 | Very high | 88.4 | Confident | 5 Ų | 5 | 8.6 Ų | 8.6 | 3% | 0.025 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -63.7 | -45.9 | 173.8 | -69.4 | -178.3 | 60.6 | 0 | 0 | 111.3 | L556 L560 M566 W573 I576 T580 I608 V612 C613 I617 C618 A619 | L556-M615 HydrophobicContact CD1-CE 4.28Å; L560-M615 HydrophobicContact CD2-CE 4.48Å; M566-M615 HydrophobicContact CE-SD 4.21Å; M566-M615 HydrophobicContact SD-SD 4.5Å; W573-M615 HydrophobicContact CZ3-SD 4.36Å; I576-M615 HydrophobicContact CG2-CE 3.71Å; I576-M615 HydrophobicContact CG2-CG 3.9Å; I576-M615 HydrophobicContact CG2-SD 3.58Å; I576-M615 VanDerWaalsContact CG2-SD 3.58Å; T580-M615 WeakPolarHBondContact CG2-O 3.13Å; I608-M615 HydrophobicContact CG2-CB 3.97Å; V612-M615 HydrophobicContact CG1-CG 4.4Å; V612-M615 PolarHBondContact O-N 3.01Å; C613-M615 VanDerWaalsContact C-N 3.26Å; C613-M615 PolarHBondContact O-N 2.9Å; M615-I617 VanDerWaalsContact C-N 3.3Å; M615-I617 PolarHBondContact O-N 3.29Å; M615-C618 PolarHBondContact O-N 3.31Å; M615-C618 VanDerWaalsContact O-N 3.17Å; M615-A619 PolarHBondContact O-N 3.02Å |
| 616 | A | 92.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -63.8 | -37.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | I608 K609 C613 A619 V620 L645 M665 M669 | I608-A616 HydrophobicContact CG2-CB 4.07Å; K609-A616 HydrophobicContact CB-CB 3.94Å; C613-A616 PolarHBondContact O-N 3.2Å; C613-A616 VanDerWaalsContact O-N 3.13Å; A616-A619 WeakPolarHBondContact O-CB 3.45Å; A616-A619 PolarHBondContact O-N 3.4Å; A616-V620 WeakPolarHBondContact O-CG2 2.9Å; A616-V620 PolarHBondContact O-N 3.48Å; A616-L645 HydrophobicContact CB-CD2 4.44Å; A616-M665 HydrophobicContact CB-SD 3.9Å; A616-M669 HydrophobicContact CB-CE 3.37Å; A616-M669 WeakPolarHBondContact O-CE 3.19Å |
| 617 | I | 93.7 | Very high | 88.3 | Confident | 0 Ų | 0 | 8.1 Ų | 8.1 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -61.5 | -45.2 | 172.8 | -68.6 | 173.8 | 0 | 0 | 0 | 111.2 | F496 L497 W527 C613 S614 M615 A619 V620 A621 M665 I668 M669 M672 | F496-I617 HydrophobicContact CE1-CB 4.33Å; F496-I617 HydrophobicContact CE1-CG2 4.06Å; L497-I617 HydrophobicContact CD2-CD1 3.31Å; W527-I617 HydrophobicContact CH2-CG2 3.91Å; W527-I617 HydrophobicContact CZ2-CG2 4.23Å; C613-I617 PolarHBondContact O-N 2.65Å; C613-I617 VanDerWaalsContact O-N 3.11Å; S614-I617 PolarHBondContact O-N 3.08Å; M615-I617 VanDerWaalsContact C-N 3.3Å; M615-I617 PolarHBondContact O-N 3.29Å; I617-A619 VanDerWaalsContact C-N 3.32Å; I617-A619 PolarHBondContact O-N 3.31Å; I617-V620 PolarHBondContact O-N 2.84Å; I617-A621 VanDerWaalsContact O-CB 3.26Å; I617-A621 WeakPolarHBondContact O-CB 2.97Å; I617-A621 PolarHBondContact O-N 2.82Å; I617-M665 HydrophobicContact CD1-CG 4.41Å; I617-M665 HydrophobicContact CG1-CG 4.15Å; I617-I668 HydrophobicContact CD1-CB 4.35Å; I617-I668 HydrophobicContact CD1-CD1 3.83Å; I617-I668 HydrophobicContact CD1-CG2 3.97Å; I617-I668 HydrophobicContact CG1-CG2 4.34Å; I617-I668 HydrophobicContact CG2-CG2 4.44Å; I617-M669 HydrophobicContact CG1-CE 3.94Å; I617-M669 HydrophobicContact CG1-CG 4.44Å; I617-M672 HydrophobicContact CG2-CE 4.24Å; I617-M672 HydrophobicContact CG2-SD 4.02Å |
| 618 | C | 93 | Very high | 88.1 | Confident | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -61.8 | -40.4 | 177.8 | -66 | 0 | 0 | 0 | 0 | 112.3 | W527 T580 S614 M615 W622 | W527-C618 PolarHBondContact NE1-SG 3.19Å; W527-C618 VanDerWaalsContact NE1-SG 3.43Å; T580-C618 HydrophobicContact CG2-CB 4.37Å; S614-C618 PolarHBondContact O-N 2.84Å; S614-C618 PolarHBondContact O-SG 2.95Å; M615-C618 PolarHBondContact O-N 3.31Å; M615-C618 VanDerWaalsContact O-N 3.17Å; C618-W622 PolarHBondContact O-N 3.28Å |
| 619 | A | 92.9 | Very high | 87.9 | Confident | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -60.6 | -51.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | T580 I584 M615 A616 I617 A621 W622 L623 L645 | T580-A619 HydrophobicContact CG2-CB 3.95Å; I584-A619 HydrophobicContact CD1-CB 3.96Å; I584-A619 HydrophobicContact CG1-CB 3.6Å; M615-A619 PolarHBondContact O-N 3.02Å; A616-A619 WeakPolarHBondContact O-CB 3.45Å; A616-A619 PolarHBondContact O-N 3.4Å; I617-A619 VanDerWaalsContact C-N 3.32Å; I617-A619 PolarHBondContact O-N 3.31Å; A619-A621 PolarHBondContact O-N 3.36Å; A619-W622 PolarHBondContact O-N 2.75Å; A619-L623 WeakPolarHBondContact O-CG 3.27Å; A619-L623 PolarHBondContact O-N 2.75Å; A619-L645 HydrophobicContact CB-CD1 3.79Å |
| 620 | V | 92.5 | Very high | 88 | Confident | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -65 | -38.9 | -179.6 | 172.2 | 0 | 0 | 0 | 0 | 111.6 | A616 I617 W622 L623 V624 L645 M669 M672 C673 | A616-V620 WeakPolarHBondContact O-CG2 2.9Å; A616-V620 PolarHBondContact O-N 3.48Å; I617-V620 PolarHBondContact O-N 2.84Å; V620-W622 VanDerWaalsContact C-N 3.32Å; V620-W622 PolarHBondContact O-N 3.34Å; V620-L623 PolarHBondContact O-N 2.96Å; V620-V624 HydrophobicContact CG1-CG2 4.13Å; V620-V624 WeakPolarHBondContact O-CB 3.08Å; V620-V624 VanDerWaalsContact O-CG2 3.3Å; V620-V624 WeakPolarHBondContact O-CG2 3.43Å; V620-V624 PolarHBondContact O-N 3.48Å; V620-L645 HydrophobicContact CG2-CB 3.83Å; V620-L645 HydrophobicContact CG2-CD1 3.93Å; V620-M669 HydrophobicContact CB-CG 4.47Å; V620-M669 HydrophobicContact CG1-CG 4.39Å; V620-M669 HydrophobicContact CG2-CE 4.03Å; V620-M669 HydrophobicContact CG2-CG 4.35Å; V620-M669 HydrophobicContact CG2-SD 4.13Å; V620-M672 HydrophobicContact CB-CE 4.46Å; V620-M672 HydrophobicContact CG1-CE 4.21Å; V620-C673 WeakPolarHBondContact CG1-SG 3.2Å |
| 621 | A | 91.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -54.8 | -48.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | W527 P533 I617 A619 A625 M672 | W527-A621 HydrophobicContact CZ2-CB 4.16Å; P533-A621 HydrophobicContact CG-CB 4.4Å; I617-A621 VanDerWaalsContact O-CB 3.26Å; I617-A621 WeakPolarHBondContact O-CB 2.97Å; I617-A621 PolarHBondContact O-N 2.82Å; A619-A621 PolarHBondContact O-N 3.36Å; A621-A625 PolarHBondContact O-N 3.02Å; A621-M672 HydrophobicContact CB-CE 3.39Å; A621-M672 VanDerWaalsContact N-CE 3.32Å |
| 622 | W | 91.8 | Very high | 88.6 | Confident | 6 Ų | 6 | 25.7 Ų | 25.7 | 2% | 0.023 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -68.7 | -44.5 | 177.8 | -177.9 | 88.2 | 0 | 0 | 0 | 112.1 | P541 P581 I584 L585 L588 C618 A619 V620 V624 A625 H626 | P541-W622 PolarHBondContact O-NE1 2.92Å; P581-W622 HydrophobicContact CB-CB 3.82Å; P581-W622 HydrophobicContact CB-CG 3.75Å; P581-W622 HydrophobicContact CG-CB 4.18Å; I584-W622 HydrophobicContact CG2-CE3 3.93Å; I584-W622 HydrophobicContact CG2-CZ3 4.06Å; L585-W622 HydrophobicContact CB-CH2 3.76Å; L585-W622 HydrophobicContact CB-CZ2 3.89Å; L585-W622 HydrophobicContact CB-CZ3 4.3Å; L585-W622 HydrophobicContact CD1-CH2 3.53Å; L585-W622 HydrophobicContact CD1-CZ2 3.81Å; L585-W622 HydrophobicContact CD2-CZ2 4.22Å; L585-W622 HydrophobicContact CG-CH2 4.15Å; L585-W622 HydrophobicContact CG-CZ2 4.18Å; L588-W622 HydrophobicContact CD2-CH2 4.45Å; L588-W622 HydrophobicContact CD2-CZ3 4.31Å; C618-W622 PolarHBondContact O-N 3.28Å; A619-W622 PolarHBondContact O-N 2.75Å; V620-W622 VanDerWaalsContact C-N 3.32Å; V620-W622 PolarHBondContact O-N 3.34Å; W622-V624 VanDerWaalsContact C-N 3.29Å; W622-V624 PolarHBondContact O-N 3.19Å; W622-A625 WeakPolarHBondContact O-CB 3.29Å; W622-A625 PolarHBondContact O-N 3.18Å; W622-A625 VanDerWaalsContact O-N 3.11Å; W622-H626 HydrophobicContact CE3-CB 4.33Å; W622-H626 HydrophobicContact CH2-CB 3.95Å; W622-H626 AromaticContact CH2-CD2 3.88Å; W622-H626 AromaticContact CH2-CG 3.67Å; W622-H626 AromaticContact CH2-ND1 3.96Å; W622-H626 HydrophobicContact CZ2-CB 4.17Å; W622-H626 HydrophobicContact CZ3-CB 4.06Å; W622-H626 WeakPolarHBondContact O-CB 3.16Å; W622-H626 PolarHBondContact O-N 2.9Å |
| 623 | L | 91.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59 | -39.3 | 177.8 | -74.5 | 166.1 | 0 | 0 | 0 | 112.1 | I584 L588 A619 V620 H626 V627 P638 M641 I642 L645 | I584-L623 HydrophobicContact CG2-CD1 4.1Å; I584-L623 HydrophobicContact CG2-CD2 3.86Å; I584-L623 HydrophobicContact CG2-CG 3.85Å; L588-L623 HydrophobicContact CD2-CD2 4.43Å; A619-L623 WeakPolarHBondContact O-CG 3.27Å; A619-L623 PolarHBondContact O-N 2.75Å; V620-L623 PolarHBondContact O-N 2.96Å; L623-H626 PolarHBondContact O-N 3.42Å; L623-V627 WeakPolarHBondContact O-CB 3.44Å; L623-V627 WeakPolarHBondContact O-CG2 3.45Å; L623-V627 PolarHBondContact O-N 3.45Å; L623-P638 HydrophobicContact CD2-CB 4.31Å; L623-M641 HydrophobicContact CD1-CB 4.3Å; L623-M641 HydrophobicContact CD1-CG 4.09Å; L623-M641 HydrophobicContact CD1-SD 4.11Å; L623-M641 HydrophobicContact CD2-SD 4.16Å; L623-I642 HydrophobicContact CB-CD1 3.9Å; L623-I642 HydrophobicContact CB-CG1 3.66Å; L623-I642 HydrophobicContact CD1-CG1 3.89Å; L623-I642 HydrophobicContact CG-CG1 4.36Å; L623-L645 HydrophobicContact CD1-CD1 3.67Å |
| 624 | V | 89.1 | Confident | 88.4 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.9 | -44.8 | 175 | 165.8 | 0 | 0 | 0 | 0 | 111.2 | P533 V620 W622 R628 I642 V676 | P533-V624 HydrophobicContact CB-CG1 3.77Å; P533-V624 HydrophobicContact CG-CB 3.98Å; P533-V624 HydrophobicContact CG-CG1 3.74Å; V620-V624 HydrophobicContact CG1-CG2 4.13Å; V620-V624 WeakPolarHBondContact O-CB 3.08Å; V620-V624 VanDerWaalsContact O-CG2 3.3Å; V620-V624 WeakPolarHBondContact O-CG2 3.43Å; V620-V624 PolarHBondContact O-N 3.48Å; W622-V624 VanDerWaalsContact C-N 3.29Å; W622-V624 PolarHBondContact O-N 3.19Å; V624-R628 WeakPolarHBondContact O-CG 3.39Å; V624-R628 PolarHBondContact O-N 3.28Å; V624-I642 HydrophobicContact CG2-CD1 4.25Å; V624-V676 HydrophobicContact CG1-CG2 3.87Å |
| 625 | A | 88.2 | Confident | 88.2 | Confident | 4 Ų | 4 | 40.2 Ų | 40.2 | 3% | 0.033 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.4 | -42.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L539 P541 A621 W622 R628 | L539-A625 HydrophobicContact CB-CB 3.82Å; L539-A625 HydrophobicContact CD1-CB 4.16Å; P541-A625 HydrophobicContact CB-CB 4.35Å; A621-A625 PolarHBondContact O-N 3.02Å; W622-A625 WeakPolarHBondContact O-CB 3.29Å; W622-A625 PolarHBondContact O-N 3.18Å; W622-A625 VanDerWaalsContact O-N 3.11Å; A625-R628 PolarHBondContact O-N 2.92Å |
| 626 | H | 88.8 | Confident | 88.1 | Confident | 33 Ų | 33 | 46.6 Ų | 46.6 | 15% | 0.153 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.7 | -48 | 178.8 | -175 | 62.1 | 0 | 0 | 0 | 112 | P541 W622 L623 R628 M629 L630 | P541-H626 HydrophobicContact CB-CB 4.33Å; W622-H626 HydrophobicContact CE3-CB 4.33Å; W622-H626 HydrophobicContact CH2-CB 3.95Å; W622-H626 AromaticContact CH2-CD2 3.88Å; W622-H626 AromaticContact CH2-CG 3.67Å; W622-H626 AromaticContact CH2-ND1 3.96Å; W622-H626 HydrophobicContact CZ2-CB 4.17Å; W622-H626 HydrophobicContact CZ3-CB 4.06Å; W622-H626 WeakPolarHBondContact O-CB 3.16Å; W622-H626 PolarHBondContact O-N 2.9Å; L623-H626 PolarHBondContact O-N 3.42Å; H626-R628 PolarHBondContact O-N 3.1Å; H626-R628 VanDerWaalsContact O-N 3.17Å; H626-M629 WeakPolarHBondContact O-CB 3.31Å; H626-M629 PolarHBondContact O-N 3.49Å; H626-L630 PolarHBondContact O-N 3.49Å |
| 627 | V | 88.4 | Confident | 88.1 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -57.3 | -34 | 178.5 | 169.9 | 0 | 0 | 0 | 0 | 112.8 | L623 M629 L630 R635 P638 Q639 I642 V676 | L623-V627 WeakPolarHBondContact O-CB 3.44Å; L623-V627 WeakPolarHBondContact O-CG2 3.45Å; L623-V627 PolarHBondContact O-N 3.45Å; V627-M629 PolarHBondContact O-N 3.03Å; V627-L630 PolarHBondContact O-N 3.46Å; V627-R635 HydrophobicContact CG1-CB 4.42Å; V627-R635 HydrophobicContact CG1-CG 3.97Å; V627-R635 PolarHBondContact O-NE 3.14Å; V627-P638 HydrophobicContact CG2-CB 3.56Å; V627-Q639 HydrophobicContact CG1-CG 4.35Å; V627-Q639 HydrophobicContact CG2-CG 4.37Å; V627-I642 HydrophobicContact CG2-CD1 4.32Å; V627-V676 HydrophobicContact CB-CG1 4.15Å; V627-V676 HydrophobicContact CG1-CG1 3.37Å; V627-V676 HydrophobicContact CG1-CG2 4.44Å |
| 628 | R | 83.1 | Confident | 88 | Confident | 72 Ų | 72 | 49.9 Ų | 49.9 | 27% | 0.272 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -64.5 | -25.5 | 176.9 | -71.9 | 174.1 | 179.9 | -164.5 | -3.8 | 112.8 | K537 V624 A625 H626 D675 V676 | K537-R628 PolarHBondContact O-NH1 3.06Å; V624-R628 WeakPolarHBondContact O-CG 3.39Å; V624-R628 PolarHBondContact O-N 3.28Å; A625-R628 PolarHBondContact O-N 2.92Å; H626-R628 PolarHBondContact O-N 3.1Å; H626-R628 VanDerWaalsContact O-N 3.17Å; R628-D675 IonicContact CZ-OD2 3.77Å; R628-D675 IonicContact NH2-OD2 3.5Å; R628-D675 PolarHBondContact NH2-OD2 3.24Å; R628-V676 HydrophobicContact CG-CG2 4.19Å |
| 629 | M | 83.8 | Confident | 87.8 | Confident | 135 Ų | 135 | 50.8 Ų | 50.8 | 67% | 0.665 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -89.5 | -14.6 | 179.2 | -62.6 | -61.8 | -67.9 | 0 | 0 | 113.6 | P541 H626 V627 | P541-M629 HydrophobicContact CG-CG 3.92Å; H626-M629 WeakPolarHBondContact O-CB 3.31Å; H626-M629 PolarHBondContact O-N 3.49Å; V627-M629 PolarHBondContact O-N 3.03Å |
| 630 | L | 85.4 | Confident | 87.7 | Confident | 27 Ų | 27 | 52.3 Ų | 52.3 | 14% | 0.141 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -87.5 | 150.5 | -174.2 | -67.5 | 179.3 | 0 | 0 | 0 | 113.6 | H626 V627 E634 R635 P638 | H626-L630 PolarHBondContact O-N 3.49Å; V627-L630 PolarHBondContact O-N 3.46Å; L630-E634 HydrophobicContact CB-CB 4.13Å; L630-E634 HydrophobicContact CD1-CB 4.28Å; L630-E634 HydrophobicContact CD2-CB 4.21Å; L630-E634 HydrophobicContact CG-CB 4.44Å; L630-R635 HydrophobicContact CB-CG 3.98Å; L630-R635 PolarHBondContact O-NE 3.26Å; L630-R635 PolarHBondContact O-NH2 3.45Å; L630-P638 HydrophobicContact CD1-CG 3.76Å |
| 631 | G | 82.1 | Confident | 87.8 | Confident | 38 Ų | 38 | 52.3 Ų | 52.3 | 39% | 0.392 | 25% | 0.249 | S | C | . | . | trans | -67.7 | 160.4 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | D633 E634 R635 | G631-D633 VanDerWaalsContact C-N 3.3Å; G631-D633 PolarHBondContact O-N 3.33Å; G631-E634 PolarHBondContact N-OE2 2.97Å; G631-E634 VanDerWaalsContact N-OE2 3.16Å; G631-E634 PolarHBondContact O-N 3.39Å; G631-E634 VanDerWaalsContact O-N 3.17Å; G631-R635 WeakPolarHBondContact O-CG 3.39Å | ||
| 632 | R | 78.9 | Confident | 87.7 | Confident | 213 Ų | 213 | 52.3 Ų | 52.3 | 80% | 0.804 | 25% | 0.249 | S | C | * | . | G | 310 helix | trans | -55 | -41.7 | -171.9 | -173.7 | 179.4 | -178.7 | -174.7 | -0.6 | 113.6 | E634 R635 | R632-E634 VanDerWaalsContact C-N 3.34Å; R632-R635 PolarHBondContact O-N 3.4Å |
| 633 | D | 81.4 | Confident | 87.6 | Confident | 149 Ų | 149 | 56.8 Ų | 56.8 | 80% | 0.797 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | -73.7 | -26.8 | -174.8 | -57.8 | -29.3 | 0 | 0 | 0 | 112.3 | G631 R635 | G631-D633 VanDerWaalsContact C-N 3.3Å; G631-D633 PolarHBondContact O-N 3.33Å; D633-R635 VanDerWaalsContact C-N 3.32Å; D633-R635 PolarHBondContact O-N 3.43Å |
| 634 | E | 85.5 | Confident | 87.5 | Confident | 116 Ų | 116 | 57.5 Ų | 57.5 | 54% | 0.542 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -80.6 | -12.6 | 179.8 | -63 | 169 | 156.3 | 0 | 0 | 112.4 | L630 G631 R632 E636 P638 | L630-E634 HydrophobicContact CB-CB 4.13Å; L630-E634 HydrophobicContact CD1-CB 4.28Å; L630-E634 HydrophobicContact CD2-CB 4.21Å; L630-E634 HydrophobicContact CG-CB 4.44Å; G631-E634 PolarHBondContact N-OE2 2.97Å; G631-E634 VanDerWaalsContact N-OE2 3.16Å; G631-E634 PolarHBondContact O-N 3.39Å; G631-E634 VanDerWaalsContact O-N 3.17Å; R632-E634 VanDerWaalsContact C-N 3.34Å; E634-E636 PolarHBondContact O-N 2.77Å; E634-P638 VanDerWaalsContact O-CD 3.31Å; E634-P638 WeakPolarHBondContact O-CD 3.34Å |
| 635 | R | 87.8 | Confident | 87.5 | Confident | 47 Ų | 47 | 57.5 Ų | 57.5 | 18% | 0.177 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -75.9 | -18.6 | -174.5 | -67.1 | 176.4 | -173.3 | -162.2 | -2.9 | 114.2 | V627 L630 G631 R632 D633 P638 Q639 | V627-R635 HydrophobicContact CG1-CB 4.42Å; V627-R635 HydrophobicContact CG1-CG 3.97Å; V627-R635 PolarHBondContact O-NE 3.14Å; L630-R635 HydrophobicContact CB-CG 3.98Å; L630-R635 PolarHBondContact O-NE 3.26Å; L630-R635 PolarHBondContact O-NH2 3.45Å; G631-R635 WeakPolarHBondContact O-CG 3.39Å; R632-R635 PolarHBondContact O-N 3.4Å; D633-R635 VanDerWaalsContact C-N 3.32Å; D633-R635 PolarHBondContact O-N 3.43Å; R635-P638 WeakPolarHBondContact O-CD 3.37Å; R635-Q639 HydrophobicContact CB-CG 4.34Å; R635-Q639 VanDerWaalsContact O-CB 3.22Å; R635-Q639 WeakPolarHBondContact O-CB 3.4Å; R635-Q639 WeakPolarHBondContact O-CG 3.47Å; R635-Q639 PolarHBondContact O-N 2.92Å |
| 636 | E | 88.3 | Confident | 87.4 | Confident | 138 Ų | 138 | 57.3 Ų | 57.3 | 65% | 0.645 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -61.4 | -50.7 | -168.7 | -171.9 | -178 | 179.4 | 0 | 0 | 113.1 | E634 T640 | E634-E636 PolarHBondContact O-N 2.77Å; E636-T640 WeakPolarHBondContact O-CB 3.27Å; E636-T640 PolarHBondContact O-N 3.22Å; E636-T640 PolarHBondContact O-OG1 2.97Å |
| 637 | K | 92 | Very high | 87.1 | Confident | 70 Ų | 70 | 58.9 Ų | 58.9 | 30% | 0.304 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -65.4 | -50.8 | -179.7 | -74.8 | -179.9 | 179 | -176.8 | 0 | 112.1 | L588 W591 E592 Q639 T640 M641 | L588-K637 HydrophobicContact CD1-CB 4.2Å; W591-K637 HydrophobicContact CD2-CD 4.19Å; W591-K637 HydrophobicContact CD2-CG 4.3Å; W591-K637 HydrophobicContact CE3-CB 4.07Å; W591-K637 HydrophobicContact CE3-CG 4.32Å; W591-K637 HydrophobicContact CG-CD 4.44Å; W591-K637 HydrophobicContact CH2-CB 4.27Å; W591-K637 HydrophobicContact CH2-CG 4.24Å; W591-K637 HydrophobicContact CZ2-CG 4.18Å; W591-K637 HydrophobicContact CZ3-CB 3.95Å; W591-K637 HydrophobicContact CZ3-CG 4.31Å; W591-K637 WeakPolarHBondContact CZ3-O 3.47Å; W591-K637 PolarHBondContact O-NZ 3.41Å; E592-K637 HydrophobicContact CG-CD 3.78Å; E592-K637 PolarHBondContact O-NZ 3.11Å; K637-Q639 PolarHBondContact O-N 3.19Å; K637-T640 WeakPolarHBondContact O-CB 3.48Å; K637-T640 PolarHBondContact O-N 3.34Å; K637-T640 VanDerWaalsContact O-N 3.13Å; K637-M641 PolarHBondContact O-N 2.93Å |
| 638 | P | 92 | Very high | 86.6 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -57.4 | -43 | 174.3 | -25.3 | 32.3 | 0 | 0 | 0 | 113.7 | L588 L623 V627 L630 E634 R635 T640 M641 I642 | L588-P638 HydrophobicContact CD1-CG 4.08Å; L588-P638 HydrophobicContact CD2-CB 4.49Å; L588-P638 HydrophobicContact CD2-CG 3.96Å; L623-P638 HydrophobicContact CD2-CB 4.31Å; V627-P638 HydrophobicContact CG2-CB 3.56Å; L630-P638 HydrophobicContact CD1-CG 3.76Å; E634-P638 VanDerWaalsContact O-CD 3.31Å; E634-P638 WeakPolarHBondContact O-CD 3.34Å; R635-P638 WeakPolarHBondContact O-CD 3.37Å; P638-T640 VanDerWaalsContact C-N 3.3Å; P638-T640 PolarHBondContact O-N 3.13Å; P638-M641 PolarHBondContact O-N 3.41Å; P638-I642 WeakPolarHBondContact O-CG1 3.29Å; P638-I642 PolarHBondContact O-N 3.32Å |
| 639 | Q | 89.8 | Confident | 86.3 | Confident | 19 Ų | 19 | 59.4 Ų | 59.4 | 9% | 0.089 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66.2 | -32.1 | 176.9 | -75.1 | 180 | -18.8 | 0 | 0 | 112.7 | V627 R635 K637 R643 F677 | V627-Q639 HydrophobicContact CG1-CG 4.35Å; V627-Q639 HydrophobicContact CG2-CG 4.37Å; R635-Q639 HydrophobicContact CB-CG 4.34Å; R635-Q639 VanDerWaalsContact O-CB 3.22Å; R635-Q639 WeakPolarHBondContact O-CB 3.4Å; R635-Q639 WeakPolarHBondContact O-CG 3.47Å; R635-Q639 PolarHBondContact O-N 2.92Å; K637-Q639 PolarHBondContact O-N 3.19Å; Q639-R643 WeakPolarHBondContact O-CG 3.44Å; Q639-R643 PolarHBondContact O-N 2.75Å; Q639-R643 PolarHBondContact O-NE 3.36Å; Q639-F677 HydrophobicContact CB-CE1 4.31Å; Q639-F677 HydrophobicContact CB-CZ 4.1Å; Q639-F677 HydrophobicContact CG-CE1 4.45Å; Q639-F677 HydrophobicContact CG-CZ 4.2Å |
| 640 | T | 90.3 | Very high | 85.3 | Confident | 32 Ų | 32 | 63.1 Ų | 63.1 | 20% | 0.196 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -68.1 | -45.7 | 173.2 | -58.6 | 0 | 0 | 0 | 0 | 110.1 | W591 E636 K637 P638 I642 R643 Q644 | W591-T640 HydrophobicContact CH2-CG2 3.85Å; E636-T640 WeakPolarHBondContact O-CB 3.27Å; E636-T640 PolarHBondContact O-N 3.22Å; E636-T640 PolarHBondContact O-OG1 2.97Å; K637-T640 WeakPolarHBondContact O-CB 3.48Å; K637-T640 PolarHBondContact O-N 3.34Å; K637-T640 VanDerWaalsContact O-N 3.13Å; P638-T640 VanDerWaalsContact C-N 3.3Å; P638-T640 PolarHBondContact O-N 3.13Å; T640-I642 VanDerWaalsContact C-N 3.31Å; T640-I642 PolarHBondContact O-N 3.41Å; T640-R643 WeakPolarHBondContact O-CA 3.5Å; T640-R643 WeakPolarHBondContact O-CB 3.43Å; T640-R643 PolarHBondContact O-N 2.67Å; T640-R643 PolarHBondContact OG1-NH2 2.9Å; T640-Q644 WeakPolarHBondContact O-CG 3.34Å; T640-Q644 PolarHBondContact O-N 2.75Å |
| 641 | M | 93.6 | Very high | 84.1 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.6 | -39.2 | 176.2 | -164.5 | 179.6 | -75.2 | 0 | 0 | 112.5 | I584 V587 L588 W591 V601 T605 L623 K637 P638 R643 Q644 L645 | I584-M641 HydrophobicContact CD1-SD 4.17Å; I584-M641 HydrophobicContact CG2-SD 3.97Å; V587-M641 HydrophobicContact CG1-CE 4.01Å; L588-M641 HydrophobicContact CB-CE 3.99Å; L588-M641 HydrophobicContact CD1-CE 4.02Å; W591-M641 HydrophobicContact CE3-CE 3.91Å; W591-M641 HydrophobicContact CZ3-CB 4.34Å; W591-M641 HydrophobicContact CZ3-CE 4.3Å; V601-M641 HydrophobicContact CG1-CE 3.62Å; V601-M641 HydrophobicContact CG1-CG 4.38Å; T605-M641 HydrophobicContact CG2-CG 3.87Å; L623-M641 HydrophobicContact CD1-CB 4.3Å; L623-M641 HydrophobicContact CD1-CG 4.09Å; L623-M641 HydrophobicContact CD1-SD 4.11Å; L623-M641 HydrophobicContact CD2-SD 4.16Å; K637-M641 PolarHBondContact O-N 2.93Å; P638-M641 PolarHBondContact O-N 3.41Å; M641-R643 PolarHBondContact O-N 2.83Å; M641-Q644 PolarHBondContact O-N 2.64Å; M641-L645 HydrophobicContact CG-CD1 4.47Å; M641-L645 WeakPolarHBondContact O-CG 3.42Å; M641-L645 PolarHBondContact O-N 2.93Å |
| 642 | I | 91.3 | Very high | 82.8 | Confident | 0 Ų | 0 | 73.3 Ų | 73.3 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -58 | -48.6 | 171.4 | -67.9 | 170.5 | 0 | 0 | 0 | 110.7 | L623 V624 V627 P638 T640 Q644 L645 V646 C673 F677 L684 | L623-I642 HydrophobicContact CB-CD1 3.9Å; L623-I642 HydrophobicContact CB-CG1 3.66Å; L623-I642 HydrophobicContact CD1-CG1 3.89Å; L623-I642 HydrophobicContact CG-CG1 4.36Å; V624-I642 HydrophobicContact CG2-CD1 4.25Å; V627-I642 HydrophobicContact CG2-CD1 4.32Å; P638-I642 WeakPolarHBondContact O-CG1 3.29Å; P638-I642 PolarHBondContact O-N 3.32Å; T640-I642 VanDerWaalsContact C-N 3.31Å; T640-I642 PolarHBondContact O-N 3.41Å; I642-Q644 VanDerWaalsContact C-N 3.27Å; I642-Q644 PolarHBondContact O-N 3.42Å; I642-L645 PolarHBondContact O-N 3.21Å; I642-L645 VanDerWaalsContact O-N 3.16Å; I642-V646 HydrophobicContact CG2-CG2 4.11Å; I642-V646 VanDerWaalsContact O-CG2 3.29Å; I642-V646 WeakPolarHBondContact O-CG2 3.49Å; I642-V646 PolarHBondContact O-N 3.14Å; I642-C673 VanDerWaalsContact CG2-SG 3.55Å; I642-F677 HydrophobicContact CB-CE2 4.39Å; I642-F677 HydrophobicContact CB-CZ 4.24Å; I642-F677 HydrophobicContact CD1-CE2 4.16Å; I642-F677 HydrophobicContact CG2-CE2 3.84Å; I642-F677 HydrophobicContact CG2-CZ 3.99Å; I642-L684 HydrophobicContact CG2-CD1 3.9Å |
| 643 | R | 88.4 | Confident | 82.1 | Confident | 100 Ų | 100 | 65.4 Ų | 65.4 | 38% | 0.377 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -58.8 | -39.5 | 178.3 | -76.3 | 179.1 | -90.6 | 161.8 | -7.7 | 112 | Q639 T640 M641 V646 T647 F677 | Q639-R643 WeakPolarHBondContact O-CG 3.44Å; Q639-R643 PolarHBondContact O-N 2.75Å; Q639-R643 PolarHBondContact O-NE 3.36Å; T640-R643 WeakPolarHBondContact O-CA 3.5Å; T640-R643 WeakPolarHBondContact O-CB 3.43Å; T640-R643 PolarHBondContact O-N 2.67Å; T640-R643 PolarHBondContact OG1-NH2 2.9Å; M641-R643 PolarHBondContact O-N 2.83Å; R643-V646 PolarHBondContact O-N 3.11Å; R643-T647 PolarHBondContact O-N 3.25Å; R643-T647 PolarHBondContact O-OG1 2.9Å; R643-F677 HydrophobicContact CG-CE1 4.32Å; R643-F677 HydrophobicContact CG-CZ 4.44Å |
| 644 | Q | 89.8 | Confident | 81.2 | Confident | 14 Ų | 14 | 64.3 Ų | 64.3 | 7% | 0.065 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64 | -43 | 176.4 | -61 | -177.8 | -34.2 | 0 | 0 | 112 | T605 K609 T640 M641 I642 T647 | T605-Q644 HydrophobicContact CG2-CB 4.31Å; K609-Q644 PolarHBondContact NZ-O 2.68Å; T640-Q644 WeakPolarHBondContact O-CG 3.34Å; T640-Q644 PolarHBondContact O-N 2.75Å; M641-Q644 PolarHBondContact O-N 2.64Å; I642-Q644 VanDerWaalsContact C-N 3.27Å; I642-Q644 PolarHBondContact O-N 3.42Å; Q644-T647 PolarHBondContact O-N 3.19Å |
| 645 | L | 89.1 | Confident | 80.6 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -68.9 | -35 | 178.5 | -74.1 | 164.4 | 0 | 0 | 0 | 113.4 | T605 I608 A616 A619 V620 L623 M641 I642 T647 | T605-L645 HydrophobicContact CG2-CD2 4.08Å; T605-L645 HydrophobicContact CG2-CG 3.98Å; I608-L645 HydrophobicContact CB-CD2 4.21Å; I608-L645 HydrophobicContact CG2-CD2 3.99Å; A616-L645 HydrophobicContact CB-CD2 4.44Å; A619-L645 HydrophobicContact CB-CD1 3.79Å; V620-L645 HydrophobicContact CG2-CB 3.83Å; V620-L645 HydrophobicContact CG2-CD1 3.93Å; L623-L645 HydrophobicContact CD1-CD1 3.67Å; M641-L645 HydrophobicContact CG-CD1 4.47Å; M641-L645 WeakPolarHBondContact O-CG 3.42Å; M641-L645 PolarHBondContact O-N 2.93Å; I642-L645 PolarHBondContact O-N 3.21Å; I642-L645 VanDerWaalsContact O-N 3.16Å; L645-T647 VanDerWaalsContact C-N 3.31Å |
| 646 | V | 84.8 | Confident | 80.2 | Confident | 1 Ų | 1 | 63.9 Ų | 63.9 | 1% | 0.006 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -76.8 | -17.7 | -179.7 | 173.9 | 0 | 0 | 0 | 0 | 112.8 | I642 R643 P648 M669 L684 R685 | I642-V646 HydrophobicContact CG2-CG2 4.11Å; I642-V646 VanDerWaalsContact O-CG2 3.29Å; I642-V646 WeakPolarHBondContact O-CG2 3.49Å; I642-V646 PolarHBondContact O-N 3.14Å; R643-V646 PolarHBondContact O-N 3.11Å; V646-P648 WeakPolarHBondContact O-CD 3.33Å; V646-M669 HydrophobicContact CG2-CB 3.9Å; V646-M669 HydrophobicContact CG2-CG 4.46Å; V646-M669 HydrophobicContact CG2-SD 3.91Å; V646-L684 HydrophobicContact CG1-CD2 4.21Å; V646-L684 HydrophobicContact CG1-CG 4.31Å; V646-L684 HydrophobicContact CG2-CD1 4.38Å; V646-R685 PolarHBondContact O-NH2 3.01Å |
| 647 | T | 84.4 | Confident | 80 | Confident | 66 Ų | 66 | 59.3 Ų | 59.3 | 41% | 0.405 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -77.4 | 121.3 | -178.9 | -60.1 | 0 | 0 | 0 | 0 | 110.7 | K609 R643 Q644 L645 | K609-T647 WeakPolarHBondContact CD-O 3.39Å; K609-T647 WeakPolarHBondContact CE-O 3.3Å; K609-T647 PolarHBondContact NZ-O 2.97Å; R643-T647 PolarHBondContact O-N 3.25Å; R643-T647 PolarHBondContact O-OG1 2.9Å; Q644-T647 PolarHBondContact O-N 3.19Å; L645-T647 VanDerWaalsContact C-N 3.31Å |
| 648 | P | 76.1 | Confident | 79.8 | Confident | 35 Ų | 35 | 56.4 Ų | 56.4 | 23% | 0.227 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -60.5 | 149.7 | 179 | -23.6 | 34.5 | 0 | 0 | 0 | 113.3 | V646 V662 | V646-P648 WeakPolarHBondContact O-CD 3.33Å; P648-V662 HydrophobicContact CB-CG1 3.98Å; P648-V662 HydrophobicContact CG-CG1 4.33Å |
| 649 | L | 76.9 | Confident | 79.4 | Confident | 48 Ų | 48 | 62.1 Ų | 62.1 | 25% | 0.251 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -87.7 | 125 | 168.5 | -67 | 172.5 | 0 | 0 | 0 | 109.6 | D606 K609 A651 | D606-L649 HydrophobicContact CB-CD2 3.95Å; D606-L649 WeakPolarHBondContact OD1-CD2 3.45Å; K609-L649 HydrophobicContact CD-CG 4.17Å; K609-L649 HydrophobicContact CG-CD1 3.85Å; K609-L649 HydrophobicContact CG-CG 4.04Å; L649-A651 VanDerWaalsContact C-N 3.31Å |
| 650 | Y | 64.1 | Low | 79.3 | Confident | 212 Ų | 212 | 64 Ų | 64 | 83% | 0.831 | 33% | 0.325 | S | S | * | . | trans | -87.7 | 7.5 | 178.7 | -65.6 | -80.6 | 0 | 0 | 0 | 114 | ||||
| 651 | A | 60.5 | Low | 79.3 | Confident | 77 Ų | 77 | 62.6 Ų | 62.6 | 64% | 0.636 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -80.9 | 146.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112 | L649 N653 | L649-A651 VanDerWaalsContact C-N 3.31Å; A651-N653 PolarHBondContact O-N 3.22Å; A651-N653 VanDerWaalsContact O-N 3.08Å |
| 652 | E | 54.6 | Low | 79 | Confident | 202 Ų | 202 | 63.2 Ų | 63.2 | 94% | 0.944 | 32% | 0.32 | S | S | * | . | trans | -60.6 | 110.4 | 173.8 | -76.7 | -175.2 | 162.9 | 0 | 0 | 110.5 | ||||
| 653 | N | 63.2 | Low | 78.8 | Confident | 48 Ų | 48 | 68 Ų | 68 | 26% | 0.257 | 35% | 0.349 | S | S | . | . | trans | -97.4 | 134 | 176.8 | -157.4 | -23 | 0 | 0 | 0 | 110.4 | G610 A651 M655 Y658 | G610-N653 PolarHBondContact O-ND2 3.46Å; A651-N653 PolarHBondContact O-N 3.22Å; A651-N653 VanDerWaalsContact O-N 3.08Å; N653-M655 VanDerWaalsContact C-N 3.29Å; N653-M655 PolarHBondContact O-N 3.43Å; N653-Y658 HydrophobicContact CB-CD1 3.5Å; N653-Y658 HydrophobicContact CB-CD2 4.44Å; N653-Y658 HydrophobicContact CB-CE1 3.88Å; N653-Y658 HydrophobicContact CB-CG 3.8Å; N653-Y658 WeakPolarHBondContact ND2-CD2 3.28Å; N653-Y658 WeakPolarHBondContact ND2-CE1 3.45Å; N653-Y658 WeakPolarHBondContact ND2-CE2 3.26Å; N653-Y658 VanDerWaalsContact ND2-CZ 3.25Å | ||
| 654 | T | 62.3 | Low | 78.7 | Confident | 125 Ų | 125 | 64 Ų | 64 | 77% | 0.767 | 34% | 0.335 | S | S | * | . | trans | -81.3 | -4.6 | -175.2 | 47 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 655 | M | 74.3 | Confident | 78.8 | Confident | 39 Ų | 39 | 63.3 Ų | 63.3 | 19% | 0.192 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -85.6 | 133.1 | -180 | -69.8 | -75.5 | 92.1 | 0 | 0 | 112.9 | S486 L568 N653 Y658 | S486-M655 WeakPolarHBondContact OG-CE 3.3Å; S486-M655 PolarHBondContact OG-SD 2.68Å; L568-M655 HydrophobicContact CD1-SD 4.03Å; N653-M655 VanDerWaalsContact C-N 3.29Å; N653-M655 PolarHBondContact O-N 3.43Å; M655-Y658 WeakPolarHBondContact O-CB 3.44Å; M655-Y658 PolarHBondContact O-N 3.41Å |
| 656 | Q | 79.6 | Confident | 78.6 | Confident | 116 Ų | 116 | 63.8 Ų | 63.8 | 54% | 0.542 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | 143.6 | 175.7 | -57.4 | -179.8 | -18.3 | 0 | 0 | 111.7 | Q490 Y658 | Q490-Q656 PolarHBondContact NE2-O 3Å; Q656-Y658 PolarHBondContact O-N 2.99Å; Q656-Y658 VanDerWaalsContact O-N 3.17Å |
| 657 | F | 84.1 | Confident | 78.7 | Confident | 41 Ų | 41 | 65.3 Ų | 65.3 | 18% | 0.18 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | 24.6 | 177.3 | -46.2 | -70.6 | 0 | 0 | 0 | 115.1 | L435 E660 R661 | L435-F657 HydrophobicContact CG-CE2 4.44Å; F657-E660 VanDerWaalsContact C-OE2 3.22Å; F657-E660 WeakPolarHBondContact CA-OE2 3.17Å; F657-R661 VanDerWaalsContact O-CG 3.3Å; F657-R661 WeakPolarHBondContact O-CG 3.42Å; F657-R661 PolarHBondContact O-N 3.5Å; F657-R661 VanDerWaalsContact O-N 3.1Å |
| 658 | Y | 86.1 | Confident | 78.9 | Confident | 10 Ų | 10 | 62.1 Ų | 62.1 | 4% | 0.039 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.4 | -43 | -177.6 | 178.8 | -106.7 | 0 | 0 | 0 | 112.5 | K609 N653 M655 Q656 E660 R661 V662 | K609-Y658 PolarHBondContact O-OH 3.48Å; N653-Y658 HydrophobicContact CB-CD1 3.5Å; N653-Y658 HydrophobicContact CB-CD2 4.44Å; N653-Y658 HydrophobicContact CB-CE1 3.88Å; N653-Y658 HydrophobicContact CB-CG 3.8Å; N653-Y658 WeakPolarHBondContact ND2-CD2 3.28Å; N653-Y658 WeakPolarHBondContact ND2-CE1 3.45Å; N653-Y658 WeakPolarHBondContact ND2-CE2 3.26Å; N653-Y658 VanDerWaalsContact ND2-CZ 3.25Å; M655-Y658 WeakPolarHBondContact O-CB 3.44Å; M655-Y658 PolarHBondContact O-N 3.41Å; Q656-Y658 PolarHBondContact O-N 2.99Å; Q656-Y658 VanDerWaalsContact O-N 3.17Å; Y658-E660 PolarHBondContact O-N 2.86Å; Y658-R661 PolarHBondContact O-N 3.35Å; Y658-V662 HydrophobicContact CD1-CG2 4.1Å; Y658-V662 HydrophobicContact CD2-CG2 4.16Å; Y658-V662 HydrophobicContact CE1-CG2 3.68Å; Y658-V662 HydrophobicContact CE2-CG2 3.74Å; Y658-V662 HydrophobicContact CG-CG2 4.35Å; Y658-V662 VanDerWaalsContact CZ-CG2 3.48Å; Y658-V662 WeakPolarHBondContact O-CG2 3.3Å; Y658-V662 PolarHBondContact O-N 3.04Å |
| 659 | N | 85.3 | Confident | 79.4 | Confident | 119 Ų | 119 | 60.5 Ų | 60.5 | 64% | 0.636 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -61.6 | -44.9 | -179.1 | -67.4 | -26.6 | 0 | 0 | 0 | 111.5 | R661 V662 V663 | N659-R661 PolarHBondContact O-N 3.28Å; N659-V662 PolarHBondContact O-N 3.15Å; N659-V663 WeakPolarHBondContact O-CG2 3.46Å; N659-V663 PolarHBondContact O-N 3.32Å; N659-V663 VanDerWaalsContact O-N 3.11Å |
| 660 | E | 87.4 | Confident | 79.7 | Confident | 60 Ų | 60 | 61 Ų | 61 | 28% | 0.28 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63 | -41.6 | 177.4 | -62.8 | 83.4 | 169.8 | 0 | 0 | 111.4 | L442 F657 Y658 V663 I664 | L442-E660 HydrophobicContact CB-CB 3.83Å; F657-E660 VanDerWaalsContact C-OE2 3.22Å; F657-E660 WeakPolarHBondContact CA-OE2 3.17Å; Y658-E660 PolarHBondContact O-N 2.86Å; E660-V663 PolarHBondContact O-N 3.32Å; E660-I664 PolarHBondContact O-N 3.25Å |
| 661 | R | 89 | Confident | 80.5 | Confident | 2 Ų | 2 | 53.5 Ų | 53.5 | 1% | 0.008 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.7 | -41.5 | 174.7 | -74.1 | -173.6 | -66.8 | 148 | -1.9 | 112.5 | L442 D493 I494 L497 K611 F657 Y658 N659 V663 I664 M665 | L442-R661 HydrophobicContact CD1-CG 3.86Å; D493-R661 WeakPolarHBondContact OD2-CD 3.46Å; D493-R661 IonicContact OD2-CZ 2.96Å; D493-R661 IonicContact OD2-NE 3.99Å; D493-R661 IonicContact OD2-NH1 3.33Å; D493-R661 PolarHBondContact OD2-NH1 2.95Å; I494-R661 HydrophobicContact CG1-CG 4.01Å; L497-R661 HydrophobicContact CD1-CB 3.74Å; L497-R661 HydrophobicContact CD1-CG 3.73Å; K611-R661 PolarHBondContact O-NH1 2.98Å; F657-R661 VanDerWaalsContact O-CG 3.3Å; F657-R661 WeakPolarHBondContact O-CG 3.42Å; F657-R661 PolarHBondContact O-N 3.5Å; F657-R661 VanDerWaalsContact O-N 3.1Å; Y658-R661 PolarHBondContact O-N 3.35Å; N659-R661 PolarHBondContact O-N 3.28Å; R661-V663 VanDerWaalsContact C-N 3.34Å; R661-V663 PolarHBondContact O-N 2.89Å; R661-I664 PolarHBondContact O-N 2.89Å; R661-M665 VanDerWaalsContact O-CB 3.31Å; R661-M665 WeakPolarHBondContact O-CB 3.48Å; R661-M665 PolarHBondContact O-N 3.26Å |
| 662 | V | 87.6 | Confident | 81.7 | Confident | 13 Ų | 13 | 50 Ų | 50 | 8% | 0.079 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.7 | -35.9 | 179.4 | 169.5 | 0 | 0 | 0 | 0 | 111.9 | P648 Y658 N659 M665 S666 | P648-V662 HydrophobicContact CB-CG1 3.98Å; P648-V662 HydrophobicContact CG-CG1 4.33Å; Y658-V662 HydrophobicContact CD1-CG2 4.1Å; Y658-V662 HydrophobicContact CD2-CG2 4.16Å; Y658-V662 HydrophobicContact CE1-CG2 3.68Å; Y658-V662 HydrophobicContact CE2-CG2 3.74Å; Y658-V662 HydrophobicContact CG-CG2 4.35Å; Y658-V662 VanDerWaalsContact CZ-CG2 3.48Å; Y658-V662 WeakPolarHBondContact O-CG2 3.3Å; Y658-V662 PolarHBondContact O-N 3.04Å; N659-V662 PolarHBondContact O-N 3.15Å; V662-M665 HydrophobicContact CG1-CE 4.37Å; V662-S666 WeakPolarHBondContact O-CB 3.5Å; V662-S666 PolarHBondContact O-N 3.39Å; V662-S666 PolarHBondContact O-OG 3.15Å |
| 663 | V | 86.4 | Confident | 83.1 | Confident | 101 Ų | 101 | 40.3 Ų | 40.3 | 61% | 0.612 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -61.7 | -48.3 | 174.5 | 171.2 | 0 | 0 | 0 | 0 | 110.6 | N659 E660 R661 S666 S667 | N659-V663 WeakPolarHBondContact O-CG2 3.46Å; N659-V663 PolarHBondContact O-N 3.32Å; N659-V663 VanDerWaalsContact O-N 3.11Å; E660-V663 PolarHBondContact O-N 3.32Å; R661-V663 VanDerWaalsContact C-N 3.34Å; R661-V663 PolarHBondContact O-N 2.89Å; V663-S666 WeakPolarHBondContact O-CB 3.19Å; V663-S666 PolarHBondContact O-N 3.29Å; V663-S667 PolarHBondContact O-N 3.42Å |
| 664 | I | 88.1 | Confident | 83.7 | Confident | 14 Ų | 14 | 38.7 Ų | 38.7 | 7% | 0.072 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67.6 | -42.8 | 179.1 | -67.6 | 170.7 | 0 | 0 | 0 | 111.2 | L442 L447 L497 H501 E660 R661 S666 S667 I668 | L442-I664 HydrophobicContact CB-CD1 3.72Å; L442-I664 HydrophobicContact CD1-CD1 4.22Å; L442-I664 HydrophobicContact CD2-CD1 3.3Å; L442-I664 HydrophobicContact CG-CD1 3.88Å; L447-I664 HydrophobicContact CD2-CD1 3.79Å; L497-I664 HydrophobicContact CB-CG2 4.16Å; H501-I664 HydrophobicContact CB-CG2 4.27Å; E660-I664 PolarHBondContact O-N 3.25Å; R661-I664 PolarHBondContact O-N 2.89Å; I664-S666 VanDerWaalsContact C-N 3.31Å; I664-S666 PolarHBondContact O-N 2.95Å; I664-S667 WeakPolarHBondContact O-CB 3.16Å; I664-S667 PolarHBondContact O-N 2.68Å; I664-I668 HydrophobicContact CG2-CD1 3.64Å; I664-I668 HydrophobicContact CG2-CG1 4.33Å; I664-I668 WeakPolarHBondContact O-CD1 3.44Å; I664-I668 VanDerWaalsContact O-CG1 3.29Å; I664-I668 WeakPolarHBondContact O-CG1 3.29Å; I664-I668 PolarHBondContact O-N 3.31Å |
| 665 | M | 90.4 | Very high | 84.1 | Confident | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -55.9 | -46.4 | 174.1 | -178.3 | -172 | 72.5 | 0 | 0 | 111.5 | L497 C613 A616 I617 R661 V662 S667 I668 M669 | L497-M665 HydrophobicContact CD2-CB 4.03Å; C613-M665 HydrophobicContact CB-CB 3.99Å; C613-M665 HydrophobicContact CB-CG 3.98Å; C613-M665 HydrophobicContact CB-SD 3.53Å; C613-M665 VanDerWaalsContact CB-SD 3.53Å; A616-M665 HydrophobicContact CB-SD 3.9Å; I617-M665 HydrophobicContact CD1-CG 4.41Å; I617-M665 HydrophobicContact CG1-CG 4.15Å; R661-M665 VanDerWaalsContact O-CB 3.31Å; R661-M665 WeakPolarHBondContact O-CB 3.48Å; R661-M665 PolarHBondContact O-N 3.26Å; V662-M665 HydrophobicContact CG1-CE 4.37Å; M665-S667 PolarHBondContact O-N 2.96Å; M665-I668 PolarHBondContact O-N 3.45Å; M665-M669 HydrophobicContact CE-CE 4.41Å; M665-M669 HydrophobicContact CG-CE 3.46Å; M665-M669 VanDerWaalsContact CG-CE 3.46Å; M665-M669 HydrophobicContact CG-CG 4.46Å; M665-M669 HydrophobicContact CG-SD 3.89Å; M665-M669 WeakPolarHBondContact O-CB 3.31Å; M665-M669 VanDerWaalsContact O-CG 3.3Å; M665-M669 WeakPolarHBondContact O-CG 3.48Å; M665-M669 PolarHBondContact O-N 3.3Å; M665-M669 HydrophobicContact SD-CE 3.68Å; M665-M669 HydrophobicContact SD-SD 4.42Å |
| 666 | S | 85.9 | Confident | 84.1 | Confident | 9 Ų | 9 | 32.8 Ų | 32.8 | 6% | 0.063 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59 | -47.7 | 177.7 | -66.6 | 0 | 0 | 0 | 0 | 111.3 | V662 V663 I664 M669 E670 R685 | V662-S666 WeakPolarHBondContact O-CB 3.5Å; V662-S666 PolarHBondContact O-N 3.39Å; V662-S666 PolarHBondContact O-OG 3.15Å; V663-S666 WeakPolarHBondContact O-CB 3.19Å; V663-S666 PolarHBondContact O-N 3.29Å; I664-S666 VanDerWaalsContact C-N 3.31Å; I664-S666 PolarHBondContact O-N 2.95Å; S666-M669 PolarHBondContact O-N 2.97Å; S666-E670 WeakPolarHBondContact O-CB 3.49Å; S666-E670 VanDerWaalsContact O-CG 3.29Å; S666-E670 WeakPolarHBondContact O-CG 3.4Å; S666-E670 PolarHBondContact O-N 3.42Å; S666-R685 VanDerWaalsContact CB-NH2 3.33Å; S666-R685 PolarHBondContact OG-NH2 2.88Å; S666-R685 VanDerWaalsContact OG-NH2 3.08Å |
| 667 | S | 85.5 | Confident | 83.8 | Confident | 33 Ų | 33 | 27.6 Ų | 27.6 | 23% | 0.231 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -57.9 | -50.6 | 176.5 | 178.2 | 0 | 0 | 0 | 0 | 111.7 | V663 I664 M665 M669 E670 H671 | V663-S667 PolarHBondContact O-N 3.42Å; I664-S667 WeakPolarHBondContact O-CB 3.16Å; I664-S667 PolarHBondContact O-N 2.68Å; M665-S667 PolarHBondContact O-N 2.96Å; S667-M669 VanDerWaalsContact C-N 3.34Å; S667-M669 PolarHBondContact O-N 2.87Å; S667-E670 PolarHBondContact O-N 2.99Å; S667-H671 PolarHBondContact O-CD2 3.25Å; S667-H671 PolarHBondContact O-N 3.27Å |
| 668 | I | 88.9 | Confident | 83 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -57.1 | -46.9 | 178.3 | -67.6 | 159.3 | 0 | 0 | 0 | 111.3 | L497 C500 H501 Q504 M532 I617 I664 M665 H671 M672 | L497-I668 HydrophobicContact CB-CD1 4.44Å; L497-I668 HydrophobicContact CD2-CD1 3.96Å; L497-I668 WeakPolarHBondContact O-CD1 3.13Å; C500-I668 HydrophobicContact CB-CD1 3.78Å; C500-I668 HydrophobicContact CB-CG1 4.27Å; C500-I668 HydrophobicContact CB-CG2 3.98Å; H501-I668 HydrophobicContact CB-CD1 4.17Å; H501-I668 HydrophobicContact CB-CG1 4.13Å; Q504-I668 HydrophobicContact CG-CG2 4.32Å; M532-I668 HydrophobicContact CE-CG2 4.44Å; I617-I668 HydrophobicContact CD1-CB 4.35Å; I617-I668 HydrophobicContact CD1-CD1 3.83Å; I617-I668 HydrophobicContact CD1-CG2 3.97Å; I617-I668 HydrophobicContact CG1-CG2 4.34Å; I617-I668 HydrophobicContact CG2-CG2 4.44Å; I664-I668 HydrophobicContact CG2-CD1 3.64Å; I664-I668 HydrophobicContact CG2-CG1 4.33Å; I664-I668 WeakPolarHBondContact O-CD1 3.44Å; I664-I668 VanDerWaalsContact O-CG1 3.29Å; I664-I668 WeakPolarHBondContact O-CG1 3.29Å; I664-I668 PolarHBondContact O-N 3.31Å; M665-I668 PolarHBondContact O-N 3.45Å; I668-H671 WeakPolarHBondContact O-CB 3.42Å; I668-H671 PolarHBondContact O-N 3.33Å; I668-M672 HydrophobicContact CG2-CG 4.38Å; I668-M672 HydrophobicContact CG2-SD 3.63Å; I668-M672 VanDerWaalsContact O-CG 3.3Å; I668-M672 WeakPolarHBondContact O-CG 3.44Å; I668-M672 PolarHBondContact O-N 3.49Å |
| 669 | M | 88 | Confident | 81.7 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -69.2 | -38.2 | -178.2 | -70 | 173.8 | 175.4 | 0 | 0 | 112.8 | A616 I617 V620 V646 M665 S666 S667 H671 M672 C673 | A616-M669 HydrophobicContact CB-CE 3.37Å; A616-M669 WeakPolarHBondContact O-CE 3.19Å; I617-M669 HydrophobicContact CG1-CE 3.94Å; I617-M669 HydrophobicContact CG1-CG 4.44Å; V620-M669 HydrophobicContact CB-CG 4.47Å; V620-M669 HydrophobicContact CG1-CG 4.39Å; V620-M669 HydrophobicContact CG2-CE 4.03Å; V620-M669 HydrophobicContact CG2-CG 4.35Å; V620-M669 HydrophobicContact CG2-SD 4.13Å; V646-M669 HydrophobicContact CG2-CB 3.9Å; V646-M669 HydrophobicContact CG2-CG 4.46Å; V646-M669 HydrophobicContact CG2-SD 3.91Å; M665-M669 HydrophobicContact CE-CE 4.41Å; M665-M669 HydrophobicContact CG-CE 3.46Å; M665-M669 VanDerWaalsContact CG-CE 3.46Å; M665-M669 HydrophobicContact CG-CG 4.46Å; M665-M669 HydrophobicContact CG-SD 3.89Å; M665-M669 WeakPolarHBondContact O-CB 3.31Å; M665-M669 VanDerWaalsContact O-CG 3.3Å; M665-M669 WeakPolarHBondContact O-CG 3.48Å; M665-M669 PolarHBondContact O-N 3.3Å; M665-M669 HydrophobicContact SD-CE 3.68Å; M665-M669 HydrophobicContact SD-SD 4.42Å; S666-M669 PolarHBondContact O-N 2.97Å; S667-M669 VanDerWaalsContact C-N 3.34Å; S667-M669 PolarHBondContact O-N 2.87Å; M669-H671 PolarHBondContact O-N 2.74Å; M669-M672 PolarHBondContact O-N 3.03Å; M669-C673 VanDerWaalsContact O-CB 3.29Å; M669-C673 WeakPolarHBondContact O-CB 3.45Å; M669-C673 PolarHBondContact O-N 3.5Å; M669-C673 PolarHBondContact O-SG 2.96Å |
| 670 | E | 83.3 | Confident | 80.4 | Confident | 60 Ų | 60 | 32.7 Ų | 32.7 | 28% | 0.28 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -56.7 | -43.4 | 171.3 | -77.9 | 170.1 | -160.5 | 0 | 0 | 110.4 | S666 S667 A674 L684 R685 | S666-E670 WeakPolarHBondContact O-CB 3.49Å; S666-E670 VanDerWaalsContact O-CG 3.29Å; S666-E670 WeakPolarHBondContact O-CG 3.4Å; S666-E670 PolarHBondContact O-N 3.42Å; S667-E670 PolarHBondContact O-N 2.99Å; E670-A674 PolarHBondContact O-N 3.16Å; E670-L684 HydrophobicContact CB-CD2 4.41Å; E670-L684 HydrophobicContact CG-CD2 3.98Å; E670-R685 IonicContact OE1-CZ 2.8Å; E670-R685 VanDerWaalsContact OE1-CZ 3.22Å; E670-R685 IonicContact OE1-NE 3.35Å; E670-R685 IonicContact OE1-NH1 2.84Å; E670-R685 PolarHBondContact OE1-NH1 3.38Å; E670-R685 IonicContact OE1-NH2 3.97Å |
| 671 | H | 80.3 | Confident | 79 | Confident | 53 Ų | 53 | 33.2 Ų | 33.2 | 25% | 0.245 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.4 | -43.6 | 176.9 | -79 | -74.2 | 0 | 0 | 0 | 112.9 | Q504 S667 I668 M669 R697 | Q504-H671 HydrophobicContact CB-CB 4.05Å; Q504-H671 HydrophobicContact CG-CB 4.02Å; S667-H671 PolarHBondContact O-CD2 3.25Å; S667-H671 PolarHBondContact O-N 3.27Å; I668-H671 WeakPolarHBondContact O-CB 3.42Å; I668-H671 PolarHBondContact O-N 3.33Å; M669-H671 PolarHBondContact O-N 2.74Å; H671-R697 VanDerWaalsContact CA-NH1 3.26Å; H671-R697 PolarHBondContact ND1-NE 2.92Å; H671-R697 PolarHBondContact ND1-NH1 2.82Å; H671-R697 PolarHBondContact ND1-NH2 3.39Å; H671-R697 PolarHBondContact O-NH1 3.34Å |
| 672 | M | 85.8 | Confident | 77.8 | Confident | 3 Ų | 3 | 35 Ų | 35 | 2% | 0.015 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66 | -35.5 | 178.4 | -70.6 | 165.1 | 65 | 0 | 0 | 113.3 | Q504 M532 P533 I617 V620 A621 I668 M669 | Q504-M672 VanDerWaalsContact NE2-CG 3.26Å; M532-M672 HydrophobicContact CE-CG 4.48Å; M532-M672 HydrophobicContact CE-SD 4.46Å; M532-M672 HydrophobicContact SD-CE 4.35Å; M532-M672 HydrophobicContact SD-CG 4.24Å; M532-M672 HydrophobicContact SD-SD 4.06Å; P533-M672 HydrophobicContact CB-CB 4.48Å; P533-M672 HydrophobicContact CG-CB 4.36Å; P533-M672 HydrophobicContact CG-CE 3.91Å; P533-M672 HydrophobicContact CG-CG 4.42Å; I617-M672 HydrophobicContact CG2-CE 4.24Å; I617-M672 HydrophobicContact CG2-SD 4.02Å; V620-M672 HydrophobicContact CB-CE 4.46Å; V620-M672 HydrophobicContact CG1-CE 4.21Å; A621-M672 HydrophobicContact CB-CE 3.39Å; A621-M672 VanDerWaalsContact N-CE 3.32Å; I668-M672 HydrophobicContact CG2-CG 4.38Å; I668-M672 HydrophobicContact CG2-SD 3.63Å; I668-M672 VanDerWaalsContact O-CG 3.3Å; I668-M672 WeakPolarHBondContact O-CG 3.44Å; I668-M672 PolarHBondContact O-N 3.49Å; M669-M672 PolarHBondContact O-N 3.03Å |
| 673 | C | 83.4 | Confident | 76.6 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -87.1 | -14.2 | -174 | -64.2 | 0 | 0 | 0 | 0 | 113.5 | V620 I642 M669 D675 V676 F677 L684 | V620-C673 WeakPolarHBondContact CG1-SG 3.2Å; I642-C673 VanDerWaalsContact CG2-SG 3.55Å; M669-C673 VanDerWaalsContact O-CB 3.29Å; M669-C673 WeakPolarHBondContact O-CB 3.45Å; M669-C673 PolarHBondContact O-N 3.5Å; M669-C673 PolarHBondContact O-SG 2.96Å; C673-D675 PolarHBondContact O-N 3.31Å; C673-V676 PolarHBondContact O-N 3.01Å; C673-V676 VanDerWaalsContact O-N 3.14Å; C673-F677 HydrophobicContact CB-CD2 3.9Å; C673-F677 HydrophobicContact CB-CE2 4.07Å; C673-F677 WeakPolarHBondContact O-CD2 3.44Å; C673-F677 PolarHBondContact O-N 3.42Å; C673-L684 HydrophobicContact CB-CD1 3.89Å; C673-L684 HydrophobicContact CB-CD2 3.86Å |
| 674 | A | 76.3 | Confident | 75.9 | Confident | 14 Ų | 14 | 36.8 Ų | 36.8 | 12% | 0.116 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -48.9 | -53.6 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | E670 V676 F677 Q678 | E670-A674 PolarHBondContact O-N 3.16Å; A674-V676 VanDerWaalsContact C-N 3.33Å; A674-V676 PolarHBondContact O-N 2.89Å; A674-F677 PolarHBondContact O-N 2.73Å; A674-Q678 VanDerWaalsContact O-CB 3.29Å; A674-Q678 WeakPolarHBondContact O-CB 3.49Å; A674-Q678 WeakPolarHBondContact O-CG 3.36Å; A674-Q678 PolarHBondContact O-N 3.07Å |
| 675 | D | 70.6 | Confident | 74.8 | Confident | 36 Ų | 36 | 40.5 Ų | 40.5 | 19% | 0.193 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60 | -40.9 | -176.7 | -60.2 | -15.7 | 0 | 0 | 0 | 113 | R628 C673 F677 Q679 | R628-D675 IonicContact CZ-OD2 3.77Å; R628-D675 IonicContact NH2-OD2 3.5Å; R628-D675 PolarHBondContact NH2-OD2 3.24Å; C673-D675 PolarHBondContact O-N 3.31Å; D675-F677 PolarHBondContact O-N 3.14Å; D675-Q679 VanDerWaalsContact O-CG 3.27Å; D675-Q679 WeakPolarHBondContact O-CG 3.3Å; D675-Q679 PolarHBondContact O-N 3.05Å |
| 676 | V | 75.1 | Confident | 73.1 | Confident | 3 Ų | 3 | 45.4 Ų | 45.4 | 2% | 0.018 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -67.3 | -39.2 | -175 | 167.9 | 0 | 0 | 0 | 0 | 111.5 | V624 V627 R628 C673 A674 T680 | V624-V676 HydrophobicContact CG1-CG2 3.87Å; V627-V676 HydrophobicContact CB-CG1 4.15Å; V627-V676 HydrophobicContact CG1-CG1 3.37Å; V627-V676 HydrophobicContact CG1-CG2 4.44Å; R628-V676 HydrophobicContact CG-CG2 4.19Å; C673-V676 PolarHBondContact O-N 3.01Å; C673-V676 VanDerWaalsContact O-N 3.14Å; A674-V676 VanDerWaalsContact C-N 3.33Å; A674-V676 PolarHBondContact O-N 2.89Å; V676-T680 PolarHBondContact O-OG1 3.35Å |
| 677 | F | 72.8 | Confident | 71.5 | Confident | 7 Ų | 7 | 49.9 Ų | 49.9 | 3% | 0.031 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -86.5 | -31.2 | -177.6 | -76 | -92.7 | 0 | 0 | 0 | 111.9 | Q639 I642 R643 C673 A674 D675 T680 G681 A682 L684 | Q639-F677 HydrophobicContact CB-CE1 4.31Å; Q639-F677 HydrophobicContact CB-CZ 4.1Å; Q639-F677 HydrophobicContact CG-CE1 4.45Å; Q639-F677 HydrophobicContact CG-CZ 4.2Å; I642-F677 HydrophobicContact CB-CE2 4.39Å; I642-F677 HydrophobicContact CB-CZ 4.24Å; I642-F677 HydrophobicContact CD1-CE2 4.16Å; I642-F677 HydrophobicContact CG2-CE2 3.84Å; I642-F677 HydrophobicContact CG2-CZ 3.99Å; R643-F677 HydrophobicContact CG-CE1 4.32Å; R643-F677 HydrophobicContact CG-CZ 4.44Å; C673-F677 HydrophobicContact CB-CD2 3.9Å; C673-F677 HydrophobicContact CB-CE2 4.07Å; C673-F677 WeakPolarHBondContact O-CD2 3.44Å; C673-F677 PolarHBondContact O-N 3.42Å; A674-F677 PolarHBondContact O-N 2.73Å; D675-F677 PolarHBondContact O-N 3.14Å; F677-T680 PolarHBondContact O-N 3.35Å; F677-T680 PolarHBondContact O-OG1 2.91Å; F677-T680 VanDerWaalsContact O-OG1 3.11Å; F677-G681 PolarHBondContact O-N 3.2Å; F677-A682 CarbonylContact C-O 3.6Å; F677-A682 WeakPolarHBondContact CB-O 3.4Å; F677-A682 HydrophobicContact CD1-CB 4.18Å; F677-A682 PolarHBondContact O-N 3.03Å; F677-A682 VanDerWaalsContact O-O 3.12Å; F677-L684 HydrophobicContact CD1-CB 4.44Å; F677-L684 HydrophobicContact CD1-CD1 4.37Å; F677-L684 HydrophobicContact CD2-CD1 3.82Å; F677-L684 HydrophobicContact CE1-CD1 4.11Å; F677-L684 HydrophobicContact CE2-CD1 3.52Å; F677-L684 HydrophobicContact CG-CB 4.33Å; F677-L684 HydrophobicContact CG-CD1 4.23Å; F677-L684 HydrophobicContact CZ-CD1 3.67Å |
| 678 | Q | 65.9 | Low | 69.8 | Low | 82 Ų | 82 | 54 Ų | 54 | 38% | 0.383 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.7 | -44.6 | 173.6 | -76.5 | 178.4 | 4.6 | 0 | 0 | 112.9 | A674 T680 G681 R697 | A674-Q678 VanDerWaalsContact O-CB 3.29Å; A674-Q678 WeakPolarHBondContact O-CB 3.49Å; A674-Q678 WeakPolarHBondContact O-CG 3.36Å; A674-Q678 PolarHBondContact O-N 3.07Å; Q678-T680 PolarHBondContact O-N 3.19Å; Q678-T680 VanDerWaalsContact O-N 3.16Å; Q678-G681 PolarHBondContact O-N 3.39Å; Q678-R697 PolarHBondContact NE2-O 3.44Å |
| 679 | Q | 59.8 | Low | 67.3 | Low | 142 Ų | 142 | 63.4 Ų | 63.4 | 66% | 0.664 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -27 | 178.9 | -74 | 175.9 | 8 | 0 | 0 | 113.4 | D675 | D675-Q679 VanDerWaalsContact O-CG 3.27Å; D675-Q679 WeakPolarHBondContact O-CG 3.3Å; D675-Q679 PolarHBondContact O-N 3.05Å |
| 680 | T | 57.7 | Low | 65.2 | Low | 54 Ų | 54 | 67.6 Ų | 67.6 | 33% | 0.331 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | -7.2 | -176.4 | 50.2 | 0 | 0 | 0 | 0 | 113.2 | V676 F677 Q678 A682 | V676-T680 PolarHBondContact O-OG1 3.35Å; F677-T680 PolarHBondContact O-N 3.35Å; F677-T680 PolarHBondContact O-OG1 2.91Å; F677-T680 VanDerWaalsContact O-OG1 3.11Å; Q678-T680 PolarHBondContact O-N 3.19Å; Q678-T680 VanDerWaalsContact O-N 3.16Å; T680-A682 PolarHBondContact O-N 3.15Å |
| 681 | G | 58.1 | Low | 63.2 | Low | 71 Ų | 71 | 71.8 Ų | 71.8 | 73% | 0.732 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.1 | 12.1 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | F677 Q678 | F677-G681 PolarHBondContact O-N 3.2Å; Q678-G681 PolarHBondContact O-N 3.39Å |
| 682 | A | 63.1 | Low | 61.1 | Low | 40 Ų | 40 | 77.9 Ų | 77.9 | 33% | 0.331 | 44% | 0.442 | S | S | . | . | trans | -87.8 | 140 | 178.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | F677 T680 | F677-A682 CarbonylContact C-O 3.6Å; F677-A682 WeakPolarHBondContact CB-O 3.4Å; F677-A682 HydrophobicContact CD1-CB 4.18Å; F677-A682 PolarHBondContact O-N 3.03Å; F677-A682 VanDerWaalsContact O-O 3.12Å; T680-A682 PolarHBondContact O-N 3.15Å | ||
| 683 | M | 64.1 | Low | 59.1 | Low | 122 Ų | 122 | 82.1 Ų | 82.1 | 60% | 0.601 | 47% | 0.47 | S | S | * | . | trans | -88.3 | 134.7 | 176.6 | -56.8 | -147.9 | 83.9 | 0 | 0 | 110.8 | R685 | M683-R685 VanDerWaalsContact C-N 3.32Å; M683-R685 WeakPolarHBondContact CB-O 3.48Å | ||
| 684 | L | 70.1 | Confident | 57.3 | Low | 29 Ų | 29 | 88.3 Ų | 88.3 | 15% | 0.152 | 50% | 0.502 | C | S | . | . | S | Bend | trans | -66.1 | -35.6 | 175 | -175.4 | 69.1 | 0 | 0 | 0 | 111.7 | I642 V646 E670 C673 F677 | I642-L684 HydrophobicContact CG2-CD1 3.9Å; V646-L684 HydrophobicContact CG1-CD2 4.21Å; V646-L684 HydrophobicContact CG1-CG 4.31Å; V646-L684 HydrophobicContact CG2-CD1 4.38Å; E670-L684 HydrophobicContact CB-CD2 4.41Å; E670-L684 HydrophobicContact CG-CD2 3.98Å; C673-L684 HydrophobicContact CB-CD1 3.89Å; C673-L684 HydrophobicContact CB-CD2 3.86Å; F677-L684 HydrophobicContact CD1-CB 4.44Å; F677-L684 HydrophobicContact CD1-CD1 4.37Å; F677-L684 HydrophobicContact CD2-CD1 3.82Å; F677-L684 HydrophobicContact CE1-CD1 4.11Å; F677-L684 HydrophobicContact CE2-CD1 3.52Å; F677-L684 HydrophobicContact CG-CB 4.33Å; F677-L684 HydrophobicContact CG-CD1 4.23Å; F677-L684 HydrophobicContact CZ-CD1 3.67Å |
| 685 | R | 64.9 | Low | 55.7 | Low | 91 Ų | 91 | 90.1 Ų | 90.1 | 34% | 0.343 | 52% | 0.516 | S | S | . | . | S | Bend | trans | -131.7 | 147.1 | 174 | -72 | -176.6 | 173.7 | 162.9 | 5.1 | 109.7 | V646 S666 E670 M683 | V646-R685 PolarHBondContact O-NH2 3.01Å; S666-R685 VanDerWaalsContact CB-NH2 3.33Å; S666-R685 PolarHBondContact OG-NH2 2.88Å; S666-R685 VanDerWaalsContact OG-NH2 3.08Å; E670-R685 IonicContact OE1-CZ 2.8Å; E670-R685 VanDerWaalsContact OE1-CZ 3.22Å; E670-R685 IonicContact OE1-NE 3.35Å; E670-R685 IonicContact OE1-NH1 2.84Å; E670-R685 PolarHBondContact OE1-NH1 3.38Å; E670-R685 IonicContact OE1-NH2 3.97Å; M683-R685 VanDerWaalsContact C-N 3.32Å; M683-R685 WeakPolarHBondContact CB-O 3.48Å |
| 686 | S | 55.5 | Low | 54.4 | Low | 105 Ų | 105 | 90.2 Ų | 90.2 | 73% | 0.734 | 51% | 0.514 | S | S | * | . | P | Polyproline II helix | trans | -61 | 136.9 | 169.2 | -56.8 | 0 | 0 | 0 | 0 | 109.7 | I688 | S686-I688 PolarHBondContact O-N 3.13Š|
| 687 | P | 51.5 | Low | 53.4 | Low | 103 Ų | 103 | 92.5 Ų | 92.5 | 67% | 0.669 | 52% | 0.523 | S | S | * | . | P | Polyproline II helix | trans | -59.6 | 127.9 | 177.7 | 22.4 | -31.2 | 0 | 0 | 0 | 110.1 | ||
| 688 | I | 51 | Low | 52.3 | Low | 119 Ų | 119 | 97.7 Ų | 97.7 | 61% | 0.61 | 55% | 0.551 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 128.5 | 169.9 | -57.6 | 172.4 | 0 | 0 | 0 | 106.5 | S686 G690 Q691 | S686-I688 PolarHBondContact O-N 3.13Å; I688-G690 PolarHBondContact O-N 3.38Å; I688-G690 VanDerWaalsContact O-N 3.14Å; I688-Q691 PolarHBondContact O-N 3.04Å |
| 689 | E | 37 | Very low | 52.1 | Low | 198 Ų | 198 | 96.1 Ų | 96.1 | 93% | 0.925 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | 120.8 | 177.5 | -78.3 | -176.7 | 155.9 | 0 | 0 | 110.6 | ||
| 690 | G | 42.8 | Very low | 52 | Low | 87 Ų | 87 | 90.9 Ų | 90.9 | 90% | 0.897 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98.6 | -2.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | I688 | I688-G690 PolarHBondContact O-N 3.38Å; I688-G690 VanDerWaalsContact O-N 3.14Å |
| 691 | Q | 40.7 | Very low | 52.2 | Low | 148 Ų | 148 | 90.8 Ų | 90.8 | 69% | 0.692 | 52% | 0.521 | S | S | * | . | P | Polyproline II helix | trans | -101.3 | 117.2 | 169.1 | -90 | -176.8 | -23.2 | 0 | 0 | 111.2 | I688 | I688-Q691 PolarHBondContact O-N 3.04Š|
| 692 | E | 36.3 | Very low | 52.3 | Low | 181 Ų | 181 | 93.2 Ų | 93.2 | 85% | 0.846 | 52% | 0.524 | S | S | * | . | P | Polyproline II helix | trans | -65.8 | 140.4 | 167.4 | -73.6 | -161.3 | 162 | 0 | 0 | 110.2 | ||
| 693 | P | 44.6 | Very low | 52.4 | Low | 92 Ų | 92 | 101.7 Ų | 101.7 | 60% | 0.597 | 55% | 0.554 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 142 | 175.3 | 23.3 | -31.3 | 0 | 0 | 0 | 111 | A695 | P693-A695 PolarHBondContact O-N 2.94Š|
| 694 | I | 45.3 | Very low | 53.1 | Low | 131 Ų | 131 | 98.4 Ų | 98.4 | 67% | 0.672 | 54% | 0.537 | S | S | * | . | trans | -56.3 | 107 | -177.8 | -58.3 | 169.9 | 0 | 0 | 0 | 109.7 | Y696 | I694-Y696 VanDerWaalsContact C-N 3.27Å; I694-Y696 PolarHBondContact O-N 3.35Å; I694-Y696 VanDerWaalsContact O-N 3.09Å | ||
| 695 | A | 41.9 | Very low | 53.8 | Low | 51 Ų | 51 | 100.4 Ų | 100.4 | 42% | 0.421 | 55% | 0.552 | S | S | . | * | G | 310 helix | trans | -67.7 | -14.9 | -159.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | P693 | P693-A695 PolarHBondContact O-N 2.94Š|
| 696 | Y | 45.1 | Very low | 54.9 | Low | 38 Ų | 38 | 98.3 Ų | 98.3 | 15% | 0.149 | 55% | 0.547 | C | S | . | . | G | 310 helix | trans | -97.9 | -7.2 | -168.4 | -79.9 | -105.6 | 0 | 0 | 0 | 114.9 | E292 P294 I694 S725 R726 H729 | E292-Y696 PolarHBondContact O-OH 3.11Å; P294-Y696 HydrophobicContact CB-CD2 3.54Å; P294-Y696 HydrophobicContact CB-CE2 3.31Å; P294-Y696 VanDerWaalsContact CD-CZ 3.48Å; P294-Y696 HydrophobicContact CG-CD1 4.32Å; P294-Y696 HydrophobicContact CG-CD2 3.34Å; P294-Y696 HydrophobicContact CG-CE1 4.21Å; P294-Y696 HydrophobicContact CG-CE2 3.27Å; P294-Y696 HydrophobicContact CG-CG 3.9Å; I694-Y696 VanDerWaalsContact C-N 3.27Å; I694-Y696 PolarHBondContact O-N 3.35Å; I694-Y696 VanDerWaalsContact O-N 3.09Å; Y696-S725 VanDerWaalsContact CE1-OG 3.29Å; Y696-S725 WeakPolarHBondContact CE1-OG 3.24Å; Y696-R726 HydrophobicContact CD1-CG 3.97Å; Y696-R726 HydrophobicContact CE1-CB 4.41Å; Y696-R726 HydrophobicContact CE1-CG 3.37Å; Y696-R726 HydrophobicContact CE2-CG 4.1Å; Y696-R726 VanDerWaalsContact CZ-CG 3.46Å; Y696-H729 AromaticContact CD1-CD2 3.98Å |
| 697 | R | 52.9 | Low | 56.6 | Low | 51 Ų | 51 | 97.3 Ų | 97.3 | 19% | 0.192 | 53% | 0.53 | C | S | . | . | G | 310 helix | trans | -100.2 | 14.8 | 172.6 | -80.4 | -168 | 167.4 | -157.3 | -3.1 | 113.6 | E535 H671 Q678 L699 | E535-R697 IonicContact OE1-CZ 3.57Å; E535-R697 IonicContact OE1-NH2 3.23Å; H671-R697 VanDerWaalsContact CA-NH1 3.26Å; H671-R697 PolarHBondContact ND1-NE 2.92Å; H671-R697 PolarHBondContact ND1-NH1 2.82Å; H671-R697 PolarHBondContact ND1-NH2 3.39Å; H671-R697 PolarHBondContact O-NH1 3.34Å; Q678-R697 PolarHBondContact NE2-O 3.44Å; R697-L699 PolarHBondContact O-N 2.96Å |
| 698 | N | 51.1 | Low | 58.5 | Low | 117 Ų | 117 | 97.5 Ų | 97.5 | 63% | 0.626 | 52% | 0.522 | S | S | * | . | trans | -77.3 | 73.7 | 168.6 | -70.4 | -32.2 | 0 | 0 | 0 | 109.6 | L700 | N698-L700 PolarHBondContact O-N 3.31Š| ||
| 699 | L | 60.2 | Low | 60.4 | Low | 49 Ų | 49 | 92 Ų | 92 | 26% | 0.257 | 50% | 0.495 | S | S | . | . | trans | -84.5 | 112.4 | 175.4 | -63.4 | 177.3 | 0 | 0 | 0 | 108.9 | R697 H729 S733 | R697-L699 PolarHBondContact O-N 2.96Å; L699-H729 HydrophobicContact CD2-CB 4.21Å; L699-S733 WeakPolarHBondContact CD1-OG 3.31Å; L699-S733 WeakPolarHBondContact CD2-OG 3.45Å | ||
| 700 | L | 59.2 | Low | 63.1 | Low | 31 Ų | 31 | 82.7 Ų | 82.7 | 16% | 0.162 | 45% | 0.451 | C | S | . | . | S | Bend | trans | 67.1 | 126.5 | -174.2 | -61.2 | 165.8 | 0 | 0 | 0 | 114.7 | N698 I706 L730 L734 M737 | N698-L700 PolarHBondContact O-N 3.31Å; L700-I706 HydrophobicContact CD1-CG2 4.06Å; L700-I706 HydrophobicContact CD2-CG2 4.03Å; L700-L730 HydrophobicContact CD2-CD1 3.96Å; L700-L734 HydrophobicContact CD2-CD2 3.62Å; L700-L734 HydrophobicContact CD2-CG 4.23Å; L700-M737 HydrophobicContact CD1-CE 3.15Å; L700-M737 HydrophobicContact CD1-SD 3.35Å; L700-M737 WeakPolarHBondContact CD1-SD 3.41Å |
| 701 | P | 60.9 | Low | 65.6 | Low | 52 Ų | 52 | 79.7 Ų | 79.7 | 34% | 0.338 | 42% | 0.416 | S | S | . | . | trans | -56.2 | 127.7 | 171 | -20.3 | 31.5 | 0 | 0 | 0 | 109.4 | K703 E704 | P701-K703 PolarHBondContact O-N 3.06Å; P701-K703 VanDerWaalsContact O-N 3.16Å; P701-E704 HydrophobicContact CB-CB 3.84Å; P701-E704 WeakPolarHBondContact CB-OE2 3.43Å; P701-E704 HydrophobicContact CG-CB 4.3Å; P701-E704 WeakPolarHBondContact CG-OE2 3.35Å; P701-E704 PolarHBondContact O-N 2.95Å | ||
| 702 | P | 60.4 | Low | 68.2 | Low | 123 Ų | 123 | 79 Ų | 79 | 80% | 0.799 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | 126.7 | 179.8 | 22.9 | -31.6 | 0 | 0 | 0 | 108.8 | ||
| 703 | K | 65.9 | Low | 70.9 | Confident | 217 Ų | 217 | 72.2 Ų | 72.2 | 94% | 0.943 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.8 | 13 | 178.1 | -45.7 | 169.8 | -178.9 | 176.2 | 0 | 116.1 | P701 | P701-K703 PolarHBondContact O-N 3.06Å; P701-K703 VanDerWaalsContact O-N 3.16Å |
| 704 | E | 76.8 | Confident | 73.3 | Confident | 54 Ų | 54 | 67.9 Ų | 67.9 | 25% | 0.252 | 35% | 0.351 | S | S | . | . | trans | -98.4 | 133.7 | 172.1 | -166.8 | 170.1 | 175.4 | 0 | 0 | 111.7 | P701 I706 Q708 | P701-E704 HydrophobicContact CB-CB 3.84Å; P701-E704 WeakPolarHBondContact CB-OE2 3.43Å; P701-E704 HydrophobicContact CG-CB 4.3Å; P701-E704 WeakPolarHBondContact CG-OE2 3.35Å; P701-E704 PolarHBondContact O-N 2.95Å; E704-I706 PolarHBondContact O-N 2.99Å; E704-Q708 HydrophobicContact CG-CB 4.29Å | ||
| 705 | P | 85.4 | Confident | 75.7 | Confident | 71 Ų | 71 | 64 Ų | 64 | 46% | 0.461 | 33% | 0.33 | S | S | . | . | trans | -61.6 | 132.9 | 174.5 | -22.2 | 32.8 | 0 | 0 | 0 | 112.3 | H707 Q708 S709 | P705-H707 PolarHBondContact O-N 3.21Å; P705-Q708 HydrophobicContact CB-CG 4.36Å; P705-Q708 WeakPolarHBondContact O-CB 3.28Å; P705-Q708 PolarHBondContact O-N 3.25Å; P705-S709 PolarHBondContact O-N 2.89Å | ||
| 706 | I | 88.1 | Confident | 78.2 | Confident | 47 Ų | 47 | 64.3 Ų | 64.3 | 24% | 0.241 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -53.9 | -33.3 | -176.5 | 57.7 | 168.9 | 0 | 0 | 0 | 114.4 | L700 E704 S709 L710 L734 M737 W742 | L700-I706 HydrophobicContact CD1-CG2 4.06Å; L700-I706 HydrophobicContact CD2-CG2 4.03Å; E704-I706 PolarHBondContact O-N 2.99Å; I706-S709 PolarHBondContact O-N 3.44Å; I706-L710 WeakPolarHBondContact O-CB 3.2Å; I706-L710 PolarHBondContact O-N 3.36Å; I706-L734 HydrophobicContact CB-CD2 3.74Å; I706-L734 HydrophobicContact CG2-CD2 4.17Å; I706-L734 WeakPolarHBondContact O-CD2 3.41Å; I706-M737 HydrophobicContact CG2-SD 3.55Å; I706-M737 VanDerWaalsContact CG2-SD 3.55Å; I706-W742 HydrophobicContact CB-CH2 3.97Å; I706-W742 HydrophobicContact CB-CZ2 4.24Å; I706-W742 HydrophobicContact CD1-CD2 4.38Å; I706-W742 HydrophobicContact CD1-CE3 4.5Å; I706-W742 HydrophobicContact CD1-CH2 3.77Å; I706-W742 HydrophobicContact CD1-CZ2 3.6Å; I706-W742 HydrophobicContact CD1-CZ3 4.21Å; I706-W742 HydrophobicContact CG1-CH2 3.79Å; I706-W742 HydrophobicContact CG1-CZ2 3.57Å |
| 707 | H | 91.8 | Very high | 80.6 | Confident | 83 Ų | 83 | 62.6 Ų | 62.6 | 38% | 0.384 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65.5 | -41 | 176.6 | 175.2 | -87.8 | 0 | 0 | 0 | 112.3 | P705 L710 S711 W742 N746 | P705-H707 PolarHBondContact O-N 3.21Å; H707-L710 PolarHBondContact O-N 2.9Å; H707-S711 PolarHBondContact O-N 3.17Å; H707-W742 HydrophobicContact CB-CZ2 4.01Å; H707-N746 PolarHBondContact CD2-OD1 3.31Å |
| 708 | Q | 91.3 | Very high | 82.5 | Confident | 108 Ų | 108 | 60.2 Ų | 60.2 | 51% | 0.505 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -67.3 | -43 | 178.2 | -67.5 | -178.8 | -0.9 | 0 | 0 | 110.3 | E704 P705 L710 S711 K712 | E704-Q708 HydrophobicContact CG-CB 4.29Å; P705-Q708 HydrophobicContact CB-CG 4.36Å; P705-Q708 WeakPolarHBondContact O-CB 3.28Å; P705-Q708 PolarHBondContact O-N 3.25Å; Q708-L710 VanDerWaalsContact C-N 3.35Å; Q708-L710 PolarHBondContact O-N 3.31Å; Q708-S711 PolarHBondContact O-N 3Å; Q708-K712 WeakPolarHBondContact O-CB 3.42Å; Q708-K712 PolarHBondContact O-N 3.47Å |
| 709 | S | 90.9 | Very high | 84.5 | Confident | 4 Ų | 4 | 63.4 Ų | 63.4 | 3% | 0.028 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -57.2 | -45.3 | 174 | -55.8 | 0 | 0 | 0 | 0 | 112.1 | P705 I706 Q713 | P705-S709 PolarHBondContact O-N 2.89Å; I706-S709 PolarHBondContact O-N 3.44Å; S709-Q713 VanDerWaalsContact O-CB 3.27Å; S709-Q713 WeakPolarHBondContact O-CB 3.3Å; S709-Q713 PolarHBondContact O-N 2.85Å |
| 710 | L | 94.4 | Very high | 85.9 | Confident | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.005 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.8 | -53.2 | 177.6 | -174.7 | 147.9 | 0 | 0 | 0 | 111.8 | I706 H707 Q708 Q713 F714 L734 W742 F743 N746 L747 | I706-L710 WeakPolarHBondContact O-CB 3.2Å; I706-L710 PolarHBondContact O-N 3.36Å; H707-L710 PolarHBondContact O-N 2.9Å; Q708-L710 VanDerWaalsContact C-N 3.35Å; Q708-L710 PolarHBondContact O-N 3.31Å; L710-Q713 PolarHBondContact O-N 3.39Å; L710-F714 WeakPolarHBondContact O-CB 3.29Å; L710-F714 PolarHBondContact O-N 2.95Å; L710-L734 HydrophobicContact CB-CD1 3.82Å; L710-L734 HydrophobicContact CD1-CD1 4.4Å; L710-L734 HydrophobicContact CG-CD1 4.29Å; L710-W742 HydrophobicContact CB-CH2 4.22Å; L710-W742 HydrophobicContact CD1-CH2 3.81Å; L710-W742 HydrophobicContact CD1-CZ3 3.67Å; L710-F743 HydrophobicContact CD1-CD2 3.94Å; L710-F743 HydrophobicContact CD1-CE2 4.26Å; L710-N746 HydrophobicContact CD1-CB 4.43Å; L710-N746 HydrophobicContact CD2-CB 4.15Å; L710-L747 HydrophobicContact CD1-CG 4.43Å; L710-L747 HydrophobicContact CD2-CD2 3.82Å; L710-L747 HydrophobicContact CD2-CG 4.25Å; L710-L747 HydrophobicContact CG-CD2 4.31Å |
| 711 | S | 95 | Very high | 87.3 | Confident | 25 Ų | 25 | 63.9 Ų | 63.9 | 18% | 0.175 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.5 | -45.6 | -176.7 | -172 | 0 | 0 | 0 | 0 | 111.2 | H707 Q708 Q713 F714 Q715 E750 | H707-S711 PolarHBondContact O-N 3.17Å; Q708-S711 PolarHBondContact O-N 3Å; S711-Q713 PolarHBondContact O-N 3.17Å; S711-F714 PolarHBondContact O-N 3Å; S711-Q715 WeakPolarHBondContact O-CB 3.45Å; S711-Q715 WeakPolarHBondContact O-CG 3.36Å; S711-Q715 PolarHBondContact O-N 3.41Å; S711-E750 WeakPolarHBondContact CB-OE1 3.36Å; S711-E750 PolarHBondContact OG-OE1 3.14Å |
| 712 | K | 93.7 | Very high | 88.5 | Confident | 134 Ų | 134 | 63.8 Ų | 63.8 | 58% | 0.583 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -60.2 | -47.3 | 177.1 | -177 | -179.4 | 176.8 | -175.2 | 0 | 111.7 | Q708 Q715 V716 | Q708-K712 WeakPolarHBondContact O-CB 3.42Å; Q708-K712 PolarHBondContact O-N 3.47Å; K712-Q715 PolarHBondContact O-N 3.11Å; K712-V716 WeakPolarHBondContact O-CG2 3.38Å; K712-V716 PolarHBondContact O-N 3.38Å; K712-V716 VanDerWaalsContact O-N 3.15Å |
| 713 | Q | 93.9 | Very high | 89.9 | Confident | 38 Ų | 38 | 57.9 Ų | 57.9 | 18% | 0.178 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66 | -43.6 | -179.7 | -170.1 | 66.1 | 15.1 | 0 | 0 | 111.7 | S709 L710 S711 Q715 V716 V717 A727 L730 F731 | S709-Q713 VanDerWaalsContact O-CB 3.27Å; S709-Q713 WeakPolarHBondContact O-CB 3.3Å; S709-Q713 PolarHBondContact O-N 2.85Å; L710-Q713 PolarHBondContact O-N 3.39Å; S711-Q713 PolarHBondContact O-N 3.17Å; Q713-Q715 VanDerWaalsContact C-N 3.32Å; Q713-Q715 PolarHBondContact O-N 3.41Å; Q713-V716 PolarHBondContact O-N 2.93Å; Q713-V717 WeakPolarHBondContact O-CG2 3.49Å; Q713-V717 PolarHBondContact O-N 3.33Å; Q713-A727 HydrophobicContact CG-CB 4.13Å; Q713-L730 HydrophobicContact CB-CD2 3.8Å; Q713-L730 HydrophobicContact CG-CD2 3.78Å; Q713-F731 HydrophobicContact CB-CE1 4.3Å; Q713-F731 HydrophobicContact CB-CZ 4.38Å; Q713-F731 HydrophobicContact CG-CE1 4.22Å; Q713-F731 HydrophobicContact CG-CZ 3.96Å |
| 714 | F | 96.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.1 | -40.7 | 179.3 | -171.9 | -105.5 | 0 | 0 | 0 | 111.9 | L710 S711 V716 V717 L718 F731 L747 E750 V763 L767 I770 | L710-F714 WeakPolarHBondContact O-CB 3.29Å; L710-F714 PolarHBondContact O-N 2.95Å; S711-F714 PolarHBondContact O-N 3Å; F714-V716 VanDerWaalsContact C-N 3.34Å; F714-V716 PolarHBondContact O-N 3.45Å; F714-V717 PolarHBondContact O-N 2.87Å; F714-L718 HydrophobicContact CE1-CD2 4.4Å; F714-L718 VanDerWaalsContact O-CB 3.29Å; F714-L718 WeakPolarHBondContact O-CB 3.29Å; F714-L718 PolarHBondContact O-N 2.96Å; F714-F731 HydrophobicContact CB-CE1 4.47Å; F714-F731 HydrophobicContact CB-CZ 4.36Å; F714-F731 HydrophobicContact CD2-CZ 4.23Å; F714-L747 HydrophobicContact CB-CD2 4.28Å; F714-L747 HydrophobicContact CD2-CD2 3.73Å; F714-L747 HydrophobicContact CE2-CD2 4.29Å; F714-L747 HydrophobicContact CG-CD2 3.93Å; F714-E750 HydrophobicContact CD1-CB 3.61Å; F714-E750 HydrophobicContact CD1-CG 3.87Å; F714-E750 HydrophobicContact CE1-CB 3.79Å; F714-V763 HydrophobicContact CE1-CG1 4.27Å; F714-V763 HydrophobicContact CE1-CG2 4.2Å; F714-V763 HydrophobicContact CZ-CG1 3.9Å; F714-V763 HydrophobicContact CZ-CG2 4.2Å; F714-L767 HydrophobicContact CD2-CD2 4.24Å; F714-L767 HydrophobicContact CE2-CD2 3.43Å; F714-L767 VanDerWaalsContact CE2-CD2 3.43Å; F714-L767 HydrophobicContact CE2-CG 4.08Å; F714-L767 HydrophobicContact CZ-CD2 3.73Å; F714-L767 HydrophobicContact CZ-CG 3.96Å; F714-I770 HydrophobicContact CD2-CD1 4.2Å; F714-I770 HydrophobicContact CE2-CD1 4.02Å |
| 715 | Q | 95 | Very high | 91.4 | Very high | 50 Ų | 50 | 45.4 Ų | 45.4 | 23% | 0.234 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.9 | -36.4 | 175.6 | -71.2 | -64.8 | -31.6 | 0 | 0 | 112.9 | S711 K712 Q713 R719 E750 | S711-Q715 WeakPolarHBondContact O-CB 3.45Å; S711-Q715 WeakPolarHBondContact O-CG 3.36Å; S711-Q715 PolarHBondContact O-N 3.41Å; K712-Q715 PolarHBondContact O-N 3.11Å; Q713-Q715 VanDerWaalsContact C-N 3.32Å; Q713-Q715 PolarHBondContact O-N 3.41Å; Q715-R719 VanDerWaalsContact O-CG 3.29Å; Q715-R719 WeakPolarHBondContact O-CG 3.42Å; Q715-R719 PolarHBondContact O-N 3.39Å; Q715-R719 VanDerWaalsContact O-N 3.1Å; Q715-E750 PolarHBondContact NE2-OE2 3.34Å |
| 716 | V | 94.6 | Very high | 91.4 | Very high | 58 Ų | 58 | 48.7 Ų | 48.7 | 35% | 0.352 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -64.4 | -48.5 | 173.4 | 170.7 | 0 | 0 | 0 | 0 | 110.7 | K712 Q713 F714 L718 R719 K720 | K712-V716 WeakPolarHBondContact O-CG2 3.38Å; K712-V716 PolarHBondContact O-N 3.38Å; K712-V716 VanDerWaalsContact O-N 3.15Å; Q713-V716 PolarHBondContact O-N 2.93Å; F714-V716 VanDerWaalsContact C-N 3.34Å; F714-V716 PolarHBondContact O-N 3.45Å; V716-L718 VanDerWaalsContact C-N 3.33Å; V716-L718 PolarHBondContact O-N 3.27Å; V716-R719 PolarHBondContact O-N 3.16Å; V716-K720 HydrophobicContact CG1-CD 4.1Å; V716-K720 HydrophobicContact CG1-CG 4.43Å; V716-K720 WeakPolarHBondContact O-CB 3.45Å; V716-K720 WeakPolarHBondContact O-CG 3.47Å; V716-K720 PolarHBondContact O-N 3Å |
| 717 | V | 94.4 | Very high | 91.5 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.006 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.3 | -44.6 | 177.9 | 164.5 | 0 | 0 | 0 | 0 | 111.3 | Q713 F714 R719 K720 G721 V723 A727 F731 L766 | Q713-V717 WeakPolarHBondContact O-CG2 3.49Å; Q713-V717 PolarHBondContact O-N 3.33Å; F714-V717 PolarHBondContact O-N 2.87Å; V717-R719 PolarHBondContact O-N 3Å; V717-K720 PolarHBondContact O-N 2.92Å; V717-G721 PolarHBondContact O-N 3.3Å; V717-V723 HydrophobicContact CG1-CB 4.42Å; V717-V723 HydrophobicContact CG1-CG2 3.72Å; V717-V723 HydrophobicContact CG2-CG1 4.42Å; V717-A727 HydrophobicContact CG2-CB 3.76Å; V717-F731 HydrophobicContact CG2-CE2 4.18Å; V717-F731 HydrophobicContact CG2-CZ 4.34Å; V717-L766 HydrophobicContact CG1-CD1 4.17Å; V717-L766 HydrophobicContact CG1-CD2 4.18Å |
| 718 | L | 93.8 | Very high | 91.4 | Very high | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.2 | -45.8 | 179.2 | -178.9 | 54.2 | 0 | 0 | 0 | 111.9 | F714 V716 G721 E754 W759 R762 V763 L766 | F714-L718 HydrophobicContact CE1-CD2 4.4Å; F714-L718 VanDerWaalsContact O-CB 3.29Å; F714-L718 WeakPolarHBondContact O-CB 3.29Å; F714-L718 PolarHBondContact O-N 2.96Å; V716-L718 VanDerWaalsContact C-N 3.33Å; V716-L718 PolarHBondContact O-N 3.27Å; L718-G721 PolarHBondContact O-N 3.19Å; L718-E754 WeakPolarHBondContact CD2-OE1 3.37Å; L718-W759 HydrophobicContact CD1-CE3 3.69Å; L718-W759 HydrophobicContact CD1-CZ3 4.03Å; L718-W759 HydrophobicContact CD2-CE3 4.07Å; L718-W759 HydrophobicContact CD2-CZ3 4.47Å; L718-W759 HydrophobicContact CG-CE3 3.61Å; L718-W759 HydrophobicContact CG-CZ3 3.69Å; L718-W759 WeakPolarHBondContact O-CZ3 3.49Å; L718-R762 HydrophobicContact CD1-CB 4.42Å; L718-R762 HydrophobicContact CD1-CG 3.93Å; L718-V763 HydrophobicContact CD1-CG2 3.51Å; L718-V763 HydrophobicContact CD2-CG2 3.72Å; L718-V763 HydrophobicContact CG-CG2 4.24Å; L718-L766 HydrophobicContact CD1-CD1 3.99Å |
| 719 | R | 92.5 | Very high | 91.2 | Very high | 185 Ų | 185 | 39.3 Ų | 39.3 | 70% | 0.698 | 17% | 0.174 | S | C | * | . | H | α-helix | trans | -65.3 | -41.5 | 176.8 | -71.1 | 176 | -169.4 | -173.8 | 3.4 | 112.5 | Q715 V716 V717 G721 | Q715-R719 VanDerWaalsContact O-CG 3.29Å; Q715-R719 WeakPolarHBondContact O-CG 3.42Å; Q715-R719 PolarHBondContact O-N 3.39Å; Q715-R719 VanDerWaalsContact O-N 3.1Å; V716-R719 PolarHBondContact O-N 3.16Å; V717-R719 PolarHBondContact O-N 3Å; R719-G721 VanDerWaalsContact C-N 3.29Å |
| 720 | K | 90.1 | Very high | 91 | Very high | 83 Ų | 83 | 40.3 Ų | 40.3 | 36% | 0.361 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -64.2 | -35.5 | 174.5 | -74.4 | -177.2 | 178.4 | -167.1 | 0 | 111.8 | V716 V717 W722 D724 | V716-K720 HydrophobicContact CG1-CD 4.1Å; V716-K720 HydrophobicContact CG1-CG 4.43Å; V716-K720 WeakPolarHBondContact O-CB 3.45Å; V716-K720 WeakPolarHBondContact O-CG 3.47Å; V716-K720 PolarHBondContact O-N 3Å; V717-K720 PolarHBondContact O-N 2.92Å; K720-W722 HydrophobicContact CD-CZ2 4.1Å; K720-W722 VanDerWaalsContact O-CD1 3.28Å; K720-D724 IonicContact NZ-OD2 3.68Å; K720-D724 PolarHBondContact NZ-OD2 2.95Å |
| 721 | G | 87.6 | Confident | 90.9 | Very high | 6 Ų | 6 | 40.2 Ų | 40.2 | 6% | 0.062 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.3 | 8.7 | -177 | 0 | 0 | 0 | 0 | 0 | 114.7 | P239 V717 L718 R719 | P239-G721 WeakPolarHBondContact CB-O 3.33Å; V717-G721 PolarHBondContact O-N 3.3Å; L718-G721 PolarHBondContact O-N 3.19Å; R719-G721 VanDerWaalsContact C-N 3.29Å |
| 722 | W | 86.1 | Confident | 90.5 | Very high | 50 Ų | 50 | 40.1 Ų | 40.1 | 19% | 0.189 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -157.5 | 165.6 | 177.4 | 60.1 | -83.7 | 0 | 0 | 0 | 109.9 | M246 T288 E292 K720 D724 | M246-W722 HydrophobicContact CE-CZ3 4.22Å; T288-W722 HydrophobicContact CG2-CE3 4.14Å; T288-W722 HydrophobicContact CG2-CH2 4.18Å; T288-W722 HydrophobicContact CG2-CZ2 4.49Å; T288-W722 HydrophobicContact CG2-CZ3 3.88Å; E292-W722 WeakPolarHBondContact OE1-CH2 3.47Å; E292-W722 WeakPolarHBondContact OE1-CZ2 3.32Å; E292-W722 WeakPolarHBondContact OE2-CH2 3.48Å; E292-W722 WeakPolarHBondContact OE2-CZ3 3.46Å; K720-W722 HydrophobicContact CD-CZ2 4.1Å; K720-W722 VanDerWaalsContact O-CD1 3.28Å; W722-D724 HydrophobicContact CE3-CB 4.44Å; W722-D724 HydrophobicContact CH2-CB 3.64Å; W722-D724 HydrophobicContact CZ3-CB 3.41Å; W722-D724 VanDerWaalsContact CZ3-CB 3.41Å |
| 723 | V | 90.2 | Very high | 90 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | trans | -107.8 | 123.8 | -174 | -165.8 | 0 | 0 | 0 | 0 | 110.2 | A243 M246 V717 A727 L728 F731 L766 I770 | A243-V723 HydrophobicContact CB-CB 4.26Å; A243-V723 HydrophobicContact CB-CG2 3.67Å; M246-V723 WeakPolarHBondContact CB-O 3.43Å; M246-V723 WeakPolarHBondContact CG-O 3.41Å; V717-V723 HydrophobicContact CG1-CB 4.42Å; V717-V723 HydrophobicContact CG1-CG2 3.72Å; V717-V723 HydrophobicContact CG2-CG1 4.42Å; V723-A727 HydrophobicContact CG1-CB 3.72Å; V723-L728 HydrophobicContact CG1-CD2 3.84Å; V723-L728 HydrophobicContact CG1-CG 3.72Å; V723-F731 HydrophobicContact CG1-CE2 4.28Å; V723-L766 HydrophobicContact CG2-CD2 3.99Å; V723-I770 HydrophobicContact CG2-CD1 4.35Å; V723-I770 HydrophobicContact CG2-CG1 4.2Å | ||
| 724 | D | 88.1 | Confident | 89.7 | Confident | 6 Ų | 6 | 32.7 Ų | 32.7 | 3% | 0.032 | 14% | 0.144 | C | C | . | . | trans | -86.3 | 163.5 | 174 | 59.7 | 35.6 | 0 | 0 | 0 | 113 | E292 K720 W722 R726 A727 L728 | E292-D724 WeakPolarHBondContact OE2-CB 3.5Å; K720-D724 IonicContact NZ-OD2 3.68Å; K720-D724 PolarHBondContact NZ-OD2 2.95Å; W722-D724 HydrophobicContact CE3-CB 4.44Å; W722-D724 HydrophobicContact CH2-CB 3.64Å; W722-D724 HydrophobicContact CZ3-CB 3.41Å; W722-D724 VanDerWaalsContact CZ3-CB 3.41Å; D724-R726 PolarHBondContact O-N 3.41Å; D724-R726 PolarHBondContact OD1-N 3.12Å; D724-A727 WeakPolarHBondContact O-CB 3.37Å; D724-A727 PolarHBondContact O-N 2.9Å; D724-A727 VanDerWaalsContact O-N 3.14Å; D724-A727 WeakPolarHBondContact OD1-CB 3.3Å; D724-A727 PolarHBondContact OD1-N 3.39Å; D724-L728 PolarHBondContact O-N 2.95Å; D724-L728 VanDerWaalsContact O-N 3.07Å | ||
| 725 | S | 86.2 | Confident | 89.3 | Confident | 3 Ų | 3 | 32.8 Ų | 32.8 | 2% | 0.021 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -57.3 | -37.3 | -179.9 | 167.7 | 0 | 0 | 0 | 0 | 112.2 | T250 Y696 L728 H729 | T250-S725 WeakPolarHBondContact CG2-OG 3.44Å; Y696-S725 VanDerWaalsContact CE1-OG 3.29Å; Y696-S725 WeakPolarHBondContact CE1-OG 3.24Å; S725-L728 PolarHBondContact O-N 2.92Å; S725-H729 PolarHBondContact O-CD2 3.29Å; S725-H729 PolarHBondContact O-N 3.47Å; S725-H729 VanDerWaalsContact O-N 3.14Å |
| 726 | R | 85.5 | Confident | 88.6 | Confident | 140 Ų | 140 | 34.5 Ų | 34.5 | 53% | 0.528 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -64.3 | -43.8 | 176.3 | -69.8 | -178 | -73.8 | 177.7 | -7.5 | 112.1 | Y696 D724 L728 H729 L730 | Y696-R726 HydrophobicContact CD1-CG 3.97Å; Y696-R726 HydrophobicContact CE1-CB 4.41Å; Y696-R726 HydrophobicContact CE1-CG 3.37Å; Y696-R726 HydrophobicContact CE2-CG 4.1Å; Y696-R726 VanDerWaalsContact CZ-CG 3.46Å; D724-R726 PolarHBondContact O-N 3.41Å; D724-R726 PolarHBondContact OD1-N 3.12Å; R726-L728 VanDerWaalsContact C-N 3.31Å; R726-L728 PolarHBondContact O-N 3.43Å; R726-H729 PolarHBondContact O-N 3.16Å; R726-L730 PolarHBondContact O-N 3.44Å; R726-L730 VanDerWaalsContact O-N 3.08Å |
| 727 | A | 90.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.5 | -41.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q713 V717 V723 D724 L730 F731 | Q713-A727 HydrophobicContact CG-CB 4.13Å; V717-A727 HydrophobicContact CG2-CB 3.76Å; V723-A727 HydrophobicContact CG1-CB 3.72Å; D724-A727 WeakPolarHBondContact O-CB 3.37Å; D724-A727 PolarHBondContact O-N 2.9Å; D724-A727 VanDerWaalsContact O-N 3.14Å; D724-A727 WeakPolarHBondContact OD1-CB 3.3Å; D724-A727 PolarHBondContact OD1-N 3.39Å; A727-L730 PolarHBondContact O-N 3.48Å; A727-F731 HydrophobicContact CB-CD2 4.38Å; A727-F731 HydrophobicContact CB-CE2 4.05Å; A727-F731 WeakPolarHBondContact O-CB 3.31Å; A727-F731 WeakPolarHBondContact O-CD2 3.3Å; A727-F731 VanDerWaalsContact O-CG 3.31Å; A727-F731 WeakPolarHBondContact O-CG 3.42Å; A727-F731 PolarHBondContact O-N 3.25Å |
| 728 | L | 90.3 | Very high | 87.2 | Confident | 2 Ų | 2 | 38.5 Ų | 38.5 | 1% | 0.01 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62 | -48 | 179 | -71.6 | 163.9 | 0 | 0 | 0 | 112.2 | M246 L247 M251 V723 D724 S725 R726 L730 F731 E732 | M246-L728 HydrophobicContact CB-CD1 4.26Å; M246-L728 WeakPolarHBondContact O-CD1 3.48Å; L247-L728 HydrophobicContact CB-CD1 4.28Å; L247-L728 HydrophobicContact CB-CD2 4.01Å; L247-L728 HydrophobicContact CD1-CD2 4.05Å; L247-L728 HydrophobicContact CG-CD2 4.23Å; M251-L728 HydrophobicContact CE-CB 3.78Å; V723-L728 HydrophobicContact CG1-CD2 3.84Å; V723-L728 HydrophobicContact CG1-CG 3.72Å; D724-L728 PolarHBondContact O-N 2.95Å; D724-L728 VanDerWaalsContact O-N 3.07Å; S725-L728 PolarHBondContact O-N 2.92Å; R726-L728 VanDerWaalsContact C-N 3.31Å; R726-L728 PolarHBondContact O-N 3.43Å; L728-L730 VanDerWaalsContact C-N 3.31Å; L728-L730 PolarHBondContact O-N 2.87Å; L728-F731 PolarHBondContact O-N 2.71Å; L728-E732 WeakPolarHBondContact O-CB 3.49Å; L728-E732 PolarHBondContact O-N 3.18Å |
| 729 | H | 85.9 | Confident | 86.9 | Confident | 39 Ų | 39 | 39.6 Ų | 39.6 | 18% | 0.181 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.3 | -38 | 176.2 | -73.3 | -65.5 | 0 | 0 | 0 | 112.5 | T250 M251 Y696 L699 S725 R726 S733 | T250-H729 WeakPolarHBondContact CG2-NE2 3.26Å; M251-H729 HydrophobicContact CE-CB 4.2Å; M251-H729 VanDerWaalsContact CE-CE1 3.5Å; M251-H729 WeakPolarHBondContact CE-CE1 3.39Å; M251-H729 WeakPolarHBondContact CE-ND1 3.47Å; M251-H729 PolarHBondContact SD-CE1 2.96Å; Y696-H729 AromaticContact CD1-CD2 3.98Å; L699-H729 HydrophobicContact CD2-CB 4.21Å; S725-H729 PolarHBondContact O-CD2 3.29Å; S725-H729 PolarHBondContact O-N 3.47Å; S725-H729 VanDerWaalsContact O-N 3.14Å; R726-H729 PolarHBondContact O-N 3.16Å; H729-S733 WeakPolarHBondContact O-CB 3.35Å; H729-S733 PolarHBondContact O-N 2.97Å; H729-S733 PolarHBondContact O-OG 2.84Å |
| 730 | L | 87.7 | Confident | 86.8 | Confident | 24 Ų | 24 | 31.5 Ų | 31.5 | 13% | 0.126 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.6 | -44.7 | 174.9 | -179.7 | 58.2 | 0 | 0 | 0 | 111.6 | L700 Q713 R726 A727 L728 S733 L734 | L700-L730 HydrophobicContact CD2-CD1 3.96Å; Q713-L730 HydrophobicContact CB-CD2 3.8Å; Q713-L730 HydrophobicContact CG-CD2 3.78Å; R726-L730 PolarHBondContact O-N 3.44Å; R726-L730 VanDerWaalsContact O-N 3.08Å; A727-L730 PolarHBondContact O-N 3.48Å; L728-L730 VanDerWaalsContact C-N 3.31Å; L728-L730 PolarHBondContact O-N 2.87Å; L730-S733 PolarHBondContact O-N 2.94Å; L730-L734 HydrophobicContact CD1-CD1 4.1Å; L730-L734 HydrophobicContact CD1-CG 4.14Å; L730-L734 HydrophobicContact CG-CD1 3.88Å; L730-L734 HydrophobicContact CG-CG 4.39Å; L730-L734 WeakPolarHBondContact O-CB 3.21Å; L730-L734 WeakPolarHBondContact O-CG 3.47Å; L730-L734 PolarHBondContact O-N 3.11Å |
| 731 | F | 91.9 | Very high | 86.9 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.1 | -41 | 177.1 | -70.3 | -44.1 | 0 | 0 | 0 | 112.4 | Q713 F714 V717 V723 A727 L728 S733 L734 L735 F743 I770 L773 | Q713-F731 HydrophobicContact CB-CE1 4.3Å; Q713-F731 HydrophobicContact CB-CZ 4.38Å; Q713-F731 HydrophobicContact CG-CE1 4.22Å; Q713-F731 HydrophobicContact CG-CZ 3.96Å; F714-F731 HydrophobicContact CB-CE1 4.47Å; F714-F731 HydrophobicContact CB-CZ 4.36Å; F714-F731 HydrophobicContact CD2-CZ 4.23Å; V717-F731 HydrophobicContact CG2-CE2 4.18Å; V717-F731 HydrophobicContact CG2-CZ 4.34Å; V723-F731 HydrophobicContact CG1-CE2 4.28Å; A727-F731 HydrophobicContact CB-CD2 4.38Å; A727-F731 HydrophobicContact CB-CE2 4.05Å; A727-F731 WeakPolarHBondContact O-CB 3.31Å; A727-F731 WeakPolarHBondContact O-CD2 3.3Å; A727-F731 VanDerWaalsContact O-CG 3.31Å; A727-F731 WeakPolarHBondContact O-CG 3.42Å; A727-F731 PolarHBondContact O-N 3.25Å; L728-F731 PolarHBondContact O-N 2.71Å; F731-S733 VanDerWaalsContact C-N 3.32Å; F731-S733 PolarHBondContact O-N 2.89Å; F731-L734 HydrophobicContact CD1-CD1 4.35Å; F731-L734 PolarHBondContact O-N 3.47Å; F731-L735 VanDerWaalsContact O-CB 3.28Å; F731-L735 WeakPolarHBondContact O-CB 3.44Å; F731-L735 PolarHBondContact O-N 3.36Å; F731-F743 HydrophobicContact CB-CE2 4.08Å; F731-F743 HydrophobicContact CB-CZ 4.02Å; F731-F743 HydrophobicContact CD1-CE2 4.15Å; F731-F743 HydrophobicContact CD1-CZ 4.39Å; F731-F743 HydrophobicContact CG-CE2 4.5Å; F731-F743 HydrophobicContact CG-CZ 4.44Å; F731-F743 WeakPolarHBondContact O-CE2 3.28Å; F731-I770 HydrophobicContact CD2-CD1 4.15Å; F731-I770 HydrophobicContact CD2-CG1 4.23Å; F731-I770 HydrophobicContact CD2-CG2 4.29Å; F731-I770 HydrophobicContact CE2-CD1 3.7Å; F731-I770 HydrophobicContact CE2-CG1 4.24Å; F731-I770 HydrophobicContact CG-CG2 4.38Å; F731-I770 HydrophobicContact CZ-CD1 4.2Å; F731-L773 HydrophobicContact CB-CD1 3.89Å |
| 732 | E | 87.3 | Confident | 87.3 | Confident | 23 Ų | 23 | 34.7 Ų | 34.7 | 11% | 0.107 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.6 | -44 | 173.8 | -175.4 | -177.6 | -163.6 | 0 | 0 | 111.3 | M251 L728 L735 N736 L773 R833 | M251-E732 HydrophobicContact CE-CB 4.41Å; M251-E732 WeakPolarHBondContact CE-OE2 3.44Å; L728-E732 WeakPolarHBondContact O-CB 3.49Å; L728-E732 PolarHBondContact O-N 3.18Å; E732-L735 WeakPolarHBondContact O-CB 3.44Å; E732-L735 PolarHBondContact O-N 2.99Å; E732-N736 WeakPolarHBondContact O-CB 3.28Å; E732-N736 PolarHBondContact O-N 3.22Å; E732-N736 PolarHBondContact O-ND2 2.73Å; E732-L773 HydrophobicContact CB-CD2 4.42Å; E732-R833 IonicContact OE1-CZ 3.59Å; E732-R833 IonicContact OE1-NH1 2.67Å; E732-R833 PolarHBondContact OE1-NH1 2.86Å |
| 733 | S | 82.1 | Confident | 87.8 | Confident | 16 Ų | 16 | 32.3 Ų | 32.3 | 11% | 0.112 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -67.7 | -39.9 | 178.9 | -61.7 | 0 | 0 | 0 | 0 | 112.9 | L699 H729 L730 F731 L735 N736 M737 | L699-S733 WeakPolarHBondContact CD1-OG 3.31Å; L699-S733 WeakPolarHBondContact CD2-OG 3.45Å; H729-S733 WeakPolarHBondContact O-CB 3.35Å; H729-S733 PolarHBondContact O-N 2.97Å; H729-S733 PolarHBondContact O-OG 2.84Å; L730-S733 PolarHBondContact O-N 2.94Å; F731-S733 VanDerWaalsContact C-N 3.32Å; F731-S733 PolarHBondContact O-N 2.89Å; S733-L735 VanDerWaalsContact C-N 3.33Å; S733-N736 PolarHBondContact O-N 3.27Å; S733-M737 WeakPolarHBondContact O-CB 3.41Å; S733-M737 PolarHBondContact O-N 2.96Å |
| 734 | L | 87.3 | Confident | 88.2 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.8 | -38.3 | 174.1 | -73.9 | 168.1 | 0 | 0 | 0 | 111.8 | L700 I706 L710 L730 F731 G738 W742 F743 | L700-L734 HydrophobicContact CD2-CD2 3.62Å; L700-L734 HydrophobicContact CD2-CG 4.23Å; I706-L734 HydrophobicContact CB-CD2 3.74Å; I706-L734 HydrophobicContact CG2-CD2 4.17Å; I706-L734 WeakPolarHBondContact O-CD2 3.41Å; L710-L734 HydrophobicContact CB-CD1 3.82Å; L710-L734 HydrophobicContact CD1-CD1 4.4Å; L710-L734 HydrophobicContact CG-CD1 4.29Å; L730-L734 HydrophobicContact CD1-CD1 4.1Å; L730-L734 HydrophobicContact CD1-CG 4.14Å; L730-L734 HydrophobicContact CG-CD1 3.88Å; L730-L734 HydrophobicContact CG-CG 4.39Å; L730-L734 WeakPolarHBondContact O-CB 3.21Å; L730-L734 WeakPolarHBondContact O-CG 3.47Å; L730-L734 PolarHBondContact O-N 3.11Å; F731-L734 HydrophobicContact CD1-CD1 4.35Å; F731-L734 PolarHBondContact O-N 3.47Å; L734-G738 PolarHBondContact O-N 3.17Å; L734-W742 HydrophobicContact CB-CZ3 4.31Å; L734-W742 HydrophobicContact CD2-CH2 4.2Å; L734-W742 HydrophobicContact CD2-CZ3 4.37Å; L734-F743 HydrophobicContact CB-CD2 4.19Å; L734-F743 HydrophobicContact CB-CE2 4.28Å |
| 735 | L | 87.9 | Confident | 88.6 | Confident | 2 Ų | 2 | 33.8 Ų | 33.8 | 1% | 0.01 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.9 | -44.1 | 174.5 | 176.8 | 57.1 | 0 | 0 | 0 | 111.2 | F731 E732 S733 G739 V740 F743 L773 D774 I778 R835 | F731-L735 VanDerWaalsContact O-CB 3.28Å; F731-L735 WeakPolarHBondContact O-CB 3.44Å; F731-L735 PolarHBondContact O-N 3.36Å; E732-L735 WeakPolarHBondContact O-CB 3.44Å; E732-L735 PolarHBondContact O-N 2.99Å; S733-L735 VanDerWaalsContact C-N 3.33Å; L735-G739 CarbonylContact O-C 3.45Å; L735-G739 WeakPolarHBondContact O-CA 3.5Å; L735-G739 PolarHBondContact O-N 3.37Å; L735-V740 HydrophobicContact CD1-CB 4.4Å; L735-V740 HydrophobicContact CD1-CG2 4.16Å; L735-F743 HydrophobicContact CB-CB 4.45Å; L735-F743 HydrophobicContact CB-CD1 4.32Å; L735-F743 HydrophobicContact CB-CD2 3.89Å; L735-F743 HydrophobicContact CB-CE2 4.15Å; L735-F743 HydrophobicContact CB-CG 3.97Å; L735-F743 HydrophobicContact CB-CZ 4.45Å; L735-F743 HydrophobicContact CD1-CB 3.7Å; L735-F743 HydrophobicContact CD1-CD1 3.76Å; L735-F743 HydrophobicContact CD1-CE1 4.5Å; L735-F743 HydrophobicContact CD1-CG 3.76Å; L735-F743 HydrophobicContact CG-CD1 4.44Å; L735-F743 HydrophobicContact CG-CG 4.42Å; L735-L773 HydrophobicContact CD2-CB 4.07Å; L735-D774 HydrophobicContact CD2-CB 4.29Å; L735-I778 HydrophobicContact CD2-CD1 4.41Å; L735-R835 VanDerWaalsContact CD2-NH1 3.34Å |
| 736 | N | 79.9 | Confident | 89.2 | Confident | 85 Ų | 85 | 34.1 Ų | 34.1 | 46% | 0.455 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -68 | -36.1 | 177.6 | -67 | -23.6 | 0 | 0 | 0 | 112.4 | E732 S733 R835 | E732-N736 WeakPolarHBondContact O-CB 3.28Å; E732-N736 PolarHBondContact O-N 3.22Å; E732-N736 PolarHBondContact O-ND2 2.73Å; S733-N736 PolarHBondContact O-N 3.27Å; N736-R835 PolarHBondContact OD1-NE 2.85Å; N736-R835 PolarHBondContact OD1-NH2 3.38Å |
| 737 | M | 78.7 | Confident | 89.8 | Confident | 118 Ų | 118 | 27.4 Ų | 27.4 | 58% | 0.581 | 15% | 0.147 | S | C | * | . | H | α-helix | trans | -82.5 | -42.8 | -178.4 | -175.6 | 173.9 | -69.5 | 0 | 0 | 113.5 | L700 I706 S733 | L700-M737 HydrophobicContact CD1-CE 3.15Å; L700-M737 HydrophobicContact CD1-SD 3.35Å; L700-M737 WeakPolarHBondContact CD1-SD 3.41Å; I706-M737 HydrophobicContact CG2-SD 3.55Å; I706-M737 VanDerWaalsContact CG2-SD 3.55Å; S733-M737 WeakPolarHBondContact O-CB 3.41Å; S733-M737 PolarHBondContact O-N 2.96Å |
| 738 | G | 82.9 | Confident | 90.1 | Very high | 25 Ų | 25 | 27.5 Ų | 27.5 | 26% | 0.258 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -85.6 | -18.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | L734 W742 | L734-G738 PolarHBondContact O-N 3.17Å; G738-W742 WeakPolarHBondContact O-CB 3.38Å |
| 739 | G | 86.4 | Confident | 90.4 | Very high | 24 Ų | 24 | 32 Ų | 32 | 25% | 0.247 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | 80.3 | 163.7 | -171.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L735 F741 W742 F743 | L735-G739 CarbonylContact O-C 3.45Å; L735-G739 WeakPolarHBondContact O-CA 3.5Å; L735-G739 PolarHBondContact O-N 3.37Å; G739-F741 PolarHBondContact O-N 3.47Å; G739-W742 PolarHBondContact O-N 3.43Å; G739-F743 WeakPolarHBondContact O-CB 3.41Å; G739-F743 PolarHBondContact O-N 3.24Å |
| 740 | V | 89.5 | Confident | 91 | Very high | 16 Ų | 16 | 30.2 Ų | 30.2 | 10% | 0.097 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.2 | -42.9 | -172.1 | -175 | 0 | 0 | 0 | 0 | 111.8 | L735 T744 Q777 I778 T781 | L735-V740 HydrophobicContact CD1-CB 4.4Å; L735-V740 HydrophobicContact CD1-CG2 4.16Å; V740-T744 VanDerWaalsContact O-CB 3.3Å; V740-T744 WeakPolarHBondContact O-CB 3.47Å; V740-T744 PolarHBondContact O-N 3.3Å; V740-T744 PolarHBondContact O-OG1 3.08Å; V740-Q777 HydrophobicContact CG1-CB 3.9Å; V740-Q777 HydrophobicContact CG2-CB 4.01Å; V740-I778 HydrophobicContact CG1-CB 4.49Å; V740-I778 HydrophobicContact CG1-CG1 3.81Å; V740-T781 WeakPolarHBondContact CG1-OG1 3.49Å |
| 741 | F | 93.6 | Very high | 91.4 | Very high | 100 Ų | 100 | 29.1 Ų | 29.1 | 44% | 0.439 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -60.3 | -52.8 | 178.1 | 176.7 | -98.5 | 0 | 0 | 0 | 112.3 | G739 F743 N745 T781 T785 I786 | G739-F741 PolarHBondContact O-N 3.47Å; F741-F743 PolarHBondContact O-N 3.11Å; F741-N745 WeakPolarHBondContact O-CB 3.46Å; F741-N745 PolarHBondContact O-N 3.03Å; F741-T781 HydrophobicContact CB-CG2 4.21Å; F741-T781 HydrophobicContact CD2-CG2 4.01Å; F741-T785 HydrophobicContact CD2-CG2 4.15Å; F741-T785 HydrophobicContact CE2-CG2 3.76Å; F741-I786 HydrophobicContact CD2-CG1 4.42Å; F741-I786 HydrophobicContact CE2-CG1 4.11Å |
| 742 | W | 95.9 | Very high | 91.7 | Very high | 56 Ų | 56 | 30.4 Ų | 30.4 | 21% | 0.212 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.4 | -46.2 | -178.9 | 178.4 | 91.7 | 0 | 0 | 0 | 111.4 | I706 H707 L710 L734 G738 G739 N746 | I706-W742 HydrophobicContact CB-CH2 3.97Å; I706-W742 HydrophobicContact CB-CZ2 4.24Å; I706-W742 HydrophobicContact CD1-CD2 4.38Å; I706-W742 HydrophobicContact CD1-CE3 4.5Å; I706-W742 HydrophobicContact CD1-CH2 3.77Å; I706-W742 HydrophobicContact CD1-CZ2 3.6Å; I706-W742 HydrophobicContact CD1-CZ3 4.21Å; I706-W742 HydrophobicContact CG1-CH2 3.79Å; I706-W742 HydrophobicContact CG1-CZ2 3.57Å; H707-W742 HydrophobicContact CB-CZ2 4.01Å; L710-W742 HydrophobicContact CB-CH2 4.22Å; L710-W742 HydrophobicContact CD1-CH2 3.81Å; L710-W742 HydrophobicContact CD1-CZ3 3.67Å; L734-W742 HydrophobicContact CB-CZ3 4.31Å; L734-W742 HydrophobicContact CD2-CH2 4.2Å; L734-W742 HydrophobicContact CD2-CZ3 4.37Å; G738-W742 WeakPolarHBondContact O-CB 3.38Å; G739-W742 PolarHBondContact O-N 3.43Å; W742-N746 VanDerWaalsContact CD1-ND2 3.34Å; W742-N746 VanDerWaalsContact CE2-ND2 3.26Å; W742-N746 PolarHBondContact NE1-ND2 3.46Å; W742-N746 VanDerWaalsContact NE1-ND2 3.18Å; W742-N746 WeakPolarHBondContact O-CB 3.24Å; W742-N746 PolarHBondContact O-N 2.93Å; W742-N746 PolarHBondContact O-ND2 2.97Å |
| 743 | F | 96.6 | Very high | 92 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.3 | -50.6 | -178.5 | -178.8 | -97.4 | 0 | 0 | 0 | 111.4 | L710 F731 L734 L735 G739 F741 N746 L747 I770 I778 | L710-F743 HydrophobicContact CD1-CD2 3.94Å; L710-F743 HydrophobicContact CD1-CE2 4.26Å; F731-F743 HydrophobicContact CB-CE2 4.08Å; F731-F743 HydrophobicContact CB-CZ 4.02Å; F731-F743 HydrophobicContact CD1-CE2 4.15Å; F731-F743 HydrophobicContact CD1-CZ 4.39Å; F731-F743 HydrophobicContact CG-CE2 4.5Å; F731-F743 HydrophobicContact CG-CZ 4.44Å; F731-F743 WeakPolarHBondContact O-CE2 3.28Å; L734-F743 HydrophobicContact CB-CD2 4.19Å; L734-F743 HydrophobicContact CB-CE2 4.28Å; L735-F743 HydrophobicContact CB-CB 4.45Å; L735-F743 HydrophobicContact CB-CD1 4.32Å; L735-F743 HydrophobicContact CB-CD2 3.89Å; L735-F743 HydrophobicContact CB-CE2 4.15Å; L735-F743 HydrophobicContact CB-CG 3.97Å; L735-F743 HydrophobicContact CB-CZ 4.45Å; L735-F743 HydrophobicContact CD1-CB 3.7Å; L735-F743 HydrophobicContact CD1-CD1 3.76Å; L735-F743 HydrophobicContact CD1-CE1 4.5Å; L735-F743 HydrophobicContact CD1-CG 3.76Å; L735-F743 HydrophobicContact CG-CD1 4.44Å; L735-F743 HydrophobicContact CG-CG 4.42Å; G739-F743 WeakPolarHBondContact O-CB 3.41Å; G739-F743 PolarHBondContact O-N 3.24Å; F741-F743 PolarHBondContact O-N 3.11Å; F743-N746 PolarHBondContact O-N 3.28Å; F743-L747 HydrophobicContact CD1-CD1 3.87Å; F743-L747 HydrophobicContact CD2-CD1 4.47Å; F743-L747 HydrophobicContact CE1-CD1 3.35Å; F743-L747 HydrophobicContact CE2-CD1 4.01Å; F743-L747 HydrophobicContact CG-CD1 4.41Å; F743-L747 HydrophobicContact CZ-CD1 3.43Å; F743-L747 VanDerWaalsContact CZ-CD1 3.43Å; F743-L747 PolarHBondContact O-N 3.35Å; F743-L747 VanDerWaalsContact O-N 3.15Å; F743-I770 HydrophobicContact CE1-CG2 4.14Å; F743-I770 HydrophobicContact CZ-CG2 3.83Å; F743-I778 HydrophobicContact CD1-CD1 4.42Å; F743-I778 HydrophobicContact CE1-CD1 4.37Å |
| 744 | T | 97.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.4 | -48.9 | -179.6 | -50 | 0 | 0 | 0 | 0 | 110.8 | V740 N746 L747 I748 F771 I778 T781 L782 I786 | V740-T744 VanDerWaalsContact O-CB 3.3Å; V740-T744 WeakPolarHBondContact O-CB 3.47Å; V740-T744 PolarHBondContact O-N 3.3Å; V740-T744 PolarHBondContact O-OG1 3.08Å; T744-N746 VanDerWaalsContact C-N 3.34Å; T744-N746 PolarHBondContact O-N 2.99Å; T744-L747 PolarHBondContact O-N 2.73Å; T744-I748 HydrophobicContact CG2-CG1 4.35Å; T744-I748 WeakPolarHBondContact O-CG1 3.45Å; T744-I748 PolarHBondContact O-N 3.43Å; T744-F771 HydrophobicContact CG2-CE2 4.32Å; T744-F771 HydrophobicContact CG2-CZ 3.99Å; T744-I778 HydrophobicContact CG2-CG2 3.82Å; T744-T781 HydrophobicContact CG2-CG2 4.48Å; T744-L782 HydrophobicContact CG2-CB 4.3Å; T744-I786 HydrophobicContact CG2-CD1 3.46Å; T744-I786 VanDerWaalsContact CG2-CD1 3.46Å |
| 745 | N | 97.1 | Very high | 92.9 | Very high | 37 Ų | 37 | 40.9 Ų | 40.9 | 20% | 0.198 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.2 | -42.7 | -178.2 | -176.7 | 38.7 | 0 | 0 | 0 | 112.3 | F741 I748 K749 I786 | F741-N745 WeakPolarHBondContact O-CB 3.46Å; F741-N745 PolarHBondContact O-N 3.03Å; N745-I748 PolarHBondContact O-N 3.21Å; N745-K749 WeakPolarHBondContact O-CG 3.29Å; N745-K749 PolarHBondContact O-N 3.37Å; N745-I786 HydrophobicContact CB-CD1 4Å; N745-I786 HydrophobicContact CB-CG1 4.37Å |
| 746 | N | 97.8 | Very high | 93.1 | Very high | 9 Ų | 9 | 47.4 Ų | 47.4 | 5% | 0.048 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -72.2 | -34 | -179.8 | -71.4 | -65.7 | 0 | 0 | 0 | 113 | H707 L710 W742 F743 T744 K749 E750 | H707-N746 PolarHBondContact CD2-OD1 3.31Å; L710-N746 HydrophobicContact CD1-CB 4.43Å; L710-N746 HydrophobicContact CD2-CB 4.15Å; W742-N746 VanDerWaalsContact CD1-ND2 3.34Å; W742-N746 VanDerWaalsContact CE2-ND2 3.26Å; W742-N746 PolarHBondContact NE1-ND2 3.46Å; W742-N746 VanDerWaalsContact NE1-ND2 3.18Å; W742-N746 WeakPolarHBondContact O-CB 3.24Å; W742-N746 PolarHBondContact O-N 2.93Å; W742-N746 PolarHBondContact O-ND2 2.97Å; F743-N746 PolarHBondContact O-N 3.28Å; T744-N746 VanDerWaalsContact C-N 3.34Å; T744-N746 PolarHBondContact O-N 2.99Å; N746-K749 WeakPolarHBondContact O-CB 3.48Å; N746-K749 PolarHBondContact O-N 3.03Å; N746-E750 PolarHBondContact O-N 3.15Å; N746-E750 VanDerWaalsContact O-N 3.11Å |
| 747 | L | 98.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -69.9 | -36.6 | 173 | -73.1 | 174.5 | 0 | 0 | 0 | 112.6 | L710 F714 F743 T744 K749 E750 L751 L767 I770 F771 | L710-L747 HydrophobicContact CD1-CG 4.43Å; L710-L747 HydrophobicContact CD2-CD2 3.82Å; L710-L747 HydrophobicContact CD2-CG 4.25Å; L710-L747 HydrophobicContact CG-CD2 4.31Å; F714-L747 HydrophobicContact CB-CD2 4.28Å; F714-L747 HydrophobicContact CD2-CD2 3.73Å; F714-L747 HydrophobicContact CE2-CD2 4.29Å; F714-L747 HydrophobicContact CG-CD2 3.93Å; F743-L747 HydrophobicContact CD1-CD1 3.87Å; F743-L747 HydrophobicContact CD2-CD1 4.47Å; F743-L747 HydrophobicContact CE1-CD1 3.35Å; F743-L747 HydrophobicContact CE2-CD1 4.01Å; F743-L747 HydrophobicContact CG-CD1 4.41Å; F743-L747 HydrophobicContact CZ-CD1 3.43Å; F743-L747 VanDerWaalsContact CZ-CD1 3.43Å; F743-L747 PolarHBondContact O-N 3.35Å; F743-L747 VanDerWaalsContact O-N 3.15Å; T744-L747 PolarHBondContact O-N 2.73Å; L747-K749 VanDerWaalsContact C-N 3.31Å; L747-K749 PolarHBondContact O-N 3.08Å; L747-E750 WeakPolarHBondContact O-CB 3.41Å; L747-E750 PolarHBondContact O-N 2.63Å; L747-E750 VanDerWaalsContact O-N 3.15Å; L747-L751 PolarHBondContact O-N 3.22Å; L747-L751 VanDerWaalsContact O-N 3.07Å; L747-L767 HydrophobicContact CB-CD2 3.8Å; L747-L767 HydrophobicContact CD1-CD2 4.03Å; L747-L767 HydrophobicContact CD2-CD2 3.93Å; L747-L767 HydrophobicContact CG-CD2 4.14Å; L747-I770 HydrophobicContact CD1-CG2 4.2Å; L747-F771 HydrophobicContact CB-CE1 4.26Å; L747-F771 HydrophobicContact CD1-CE1 3.81Å |
| 748 | I | 98.2 | Very high | 94.1 | Very high | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64 | -38.3 | 171.3 | -63.9 | -49.4 | 0 | 0 | 0 | 110.8 | T744 N745 E750 L751 L752 F771 L782 I786 L790 L808 L811 | T744-I748 HydrophobicContact CG2-CG1 4.35Å; T744-I748 WeakPolarHBondContact O-CG1 3.45Å; T744-I748 PolarHBondContact O-N 3.43Å; N745-I748 PolarHBondContact O-N 3.21Å; I748-E750 VanDerWaalsContact C-N 3.27Å; I748-E750 PolarHBondContact O-N 3.14Å; I748-L751 WeakPolarHBondContact O-CB 3.28Å; I748-L751 PolarHBondContact O-N 2.96Å; I748-L751 VanDerWaalsContact O-N 3.12Å; I748-L752 HydrophobicContact CG2-CD1 4.06Å; I748-L752 HydrophobicContact CG2-CG 4.18Å; I748-L752 WeakPolarHBondContact O-CG 3.42Å; I748-L752 PolarHBondContact O-N 2.76Å; I748-F771 HydrophobicContact CD1-CE2 4.33Å; I748-F771 HydrophobicContact CD1-CZ 4.09Å; I748-L782 HydrophobicContact CD1-CD1 3.92Å; I748-L782 HydrophobicContact CG1-CD1 3.89Å; I748-I786 HydrophobicContact CG1-CG2 4.49Å; I748-I786 HydrophobicContact CG2-CG2 4.3Å; I748-L790 HydrophobicContact CG2-CD1 4.25Å; I748-L808 HydrophobicContact CD1-CD1 3.79Å; I748-L808 HydrophobicContact CG1-CD1 4.42Å; I748-L808 HydrophobicContact CG2-CD1 3.92Å; I748-L808 HydrophobicContact CG2-CD2 4.4Å; I748-L811 HydrophobicContact CD1-CD2 3.76Å |
| 749 | K | 96.8 | Very high | 94.6 | Very high | 97 Ų | 97 | 52.9 Ų | 52.9 | 42% | 0.422 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -61.5 | -33.7 | 172.3 | -73.1 | 172.2 | -176.1 | 176.4 | 0 | 112.9 | N745 N746 L747 K753 | N745-K749 WeakPolarHBondContact O-CG 3.29Å; N745-K749 PolarHBondContact O-N 3.37Å; N746-K749 WeakPolarHBondContact O-CB 3.48Å; N746-K749 PolarHBondContact O-N 3.03Å; L747-K749 VanDerWaalsContact C-N 3.31Å; L747-K749 PolarHBondContact O-N 3.08Å; K749-K753 VanDerWaalsContact O-CG 3.32Å; K749-K753 WeakPolarHBondContact O-CG 3.41Å; K749-K753 PolarHBondContact O-N 3.26Å |
| 750 | E | 96.9 | Very high | 94.9 | Very high | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.009 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.5 | -41.8 | 171.8 | -67.1 | -63.1 | 138.9 | 0 | 0 | 111.5 | S711 F714 Q715 N746 L747 I748 L752 K753 | S711-E750 WeakPolarHBondContact CB-OE1 3.36Å; S711-E750 PolarHBondContact OG-OE1 3.14Å; F714-E750 HydrophobicContact CD1-CB 3.61Å; F714-E750 HydrophobicContact CD1-CG 3.87Å; F714-E750 HydrophobicContact CE1-CB 3.79Å; Q715-E750 PolarHBondContact NE2-OE2 3.34Å; N746-E750 PolarHBondContact O-N 3.15Å; N746-E750 VanDerWaalsContact O-N 3.11Å; L747-E750 WeakPolarHBondContact O-CB 3.41Å; L747-E750 PolarHBondContact O-N 2.63Å; L747-E750 VanDerWaalsContact O-N 3.15Å; I748-E750 VanDerWaalsContact C-N 3.27Å; I748-E750 PolarHBondContact O-N 3.14Å; E750-L752 PolarHBondContact O-N 2.94Å; E750-K753 WeakPolarHBondContact O-CB 3.49Å; E750-K753 PolarHBondContact O-N 3.29Å; E750-K753 IonicContact OE1-NZ 2.7Å; E750-K753 PolarHBondContact OE1-NZ 3.28Å; E750-K753 IonicContact OE2-NZ 3.26Å |
| 751 | L | 97.3 | Very high | 95 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -59.3 | -44.8 | 173.5 | 172.6 | 66.3 | 0 | 0 | 0 | 112.5 | L747 I748 K753 E754 V763 V764 L767 A807 L808 L811 | L747-L751 PolarHBondContact O-N 3.22Å; L747-L751 VanDerWaalsContact O-N 3.07Å; I748-L751 WeakPolarHBondContact O-CB 3.28Å; I748-L751 PolarHBondContact O-N 2.96Å; I748-L751 VanDerWaalsContact O-N 3.12Å; L751-K753 PolarHBondContact O-N 3.43Å; L751-E754 WeakPolarHBondContact O-CB 3.33Å; L751-E754 PolarHBondContact O-N 3.11Å; L751-E754 VanDerWaalsContact O-N 3.15Å; L751-V763 HydrophobicContact CB-CG1 3.69Å; L751-V763 HydrophobicContact CD1-CB 3.82Å; L751-V763 HydrophobicContact CD1-CG1 3.38Å; L751-V763 HydrophobicContact CG-CG1 4.08Å; L751-V764 HydrophobicContact CD1-CG2 4.3Å; L751-L767 HydrophobicContact CB-CD1 4.09Å; L751-A807 HydrophobicContact CD1-CB 3.83Å; L751-L808 HydrophobicContact CD2-CB 3.96Å; L751-L808 HydrophobicContact CD2-CD1 4.06Å; L751-L811 HydrophobicContact CD2-CD2 4.26Å |
| 752 | L | 96.7 | Very high | 95 | Very high | 27 Ų | 27 | 52.5 Ų | 52.5 | 14% | 0.141 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -10.7 | -177.5 | -64.6 | 178.1 | 0 | 0 | 0 | 113.8 | I748 E750 L790 L800 P804 L808 | I748-L752 HydrophobicContact CG2-CD1 4.06Å; I748-L752 HydrophobicContact CG2-CG 4.18Å; I748-L752 WeakPolarHBondContact O-CG 3.42Å; I748-L752 PolarHBondContact O-N 2.76Å; E750-L752 PolarHBondContact O-N 2.94Å; L752-L790 HydrophobicContact CD1-CD1 4.1Å; L752-L790 HydrophobicContact CD1-CD2 4.06Å; L752-L800 HydrophobicContact CD2-CD2 4.17Å; L752-P804 HydrophobicContact CD2-CB 4.06Å; L752-L808 HydrophobicContact CD2-CD2 4.25Å |
| 753 | K | 95.2 | Very high | 95 | Very high | 114 Ų | 114 | 49.8 Ų | 49.8 | 50% | 0.496 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -18.5 | 173.1 | -71 | 167.8 | -168.9 | 178.3 | 0 | 112.9 | K749 E750 L751 T755 | K749-K753 VanDerWaalsContact O-CG 3.32Å; K749-K753 WeakPolarHBondContact O-CG 3.41Å; K749-K753 PolarHBondContact O-N 3.26Å; E750-K753 WeakPolarHBondContact O-CB 3.49Å; E750-K753 PolarHBondContact O-N 3.29Å; E750-K753 IonicContact OE1-NZ 2.7Å; E750-K753 PolarHBondContact OE1-NZ 3.28Å; E750-K753 IonicContact OE2-NZ 3.26Å; L751-K753 PolarHBondContact O-N 3.43Å; K753-T755 PolarHBondContact O-N 3.29Å |
| 754 | E | 94.6 | Very high | 94.9 | Very high | 28 Ų | 28 | 49.9 Ų | 49.9 | 13% | 0.131 | 23% | 0.234 | C | C | . | . | trans | -76.8 | 124.7 | -172.2 | -65 | -55.4 | 146.2 | 0 | 0 | 112 | L718 L751 W759 A760 V763 P804 | L718-E754 WeakPolarHBondContact CD2-OE1 3.37Å; L751-E754 WeakPolarHBondContact O-CB 3.33Å; L751-E754 PolarHBondContact O-N 3.11Å; L751-E754 VanDerWaalsContact O-N 3.15Å; E754-W759 WeakPolarHBondContact OE2-CB 3.08Å; E754-A760 HydrophobicContact CB-CB 4.2Å; E754-V763 HydrophobicContact CG-CG2 3.93Å; E754-P804 VanDerWaalsContact O-CD 3.29Å; E754-P804 WeakPolarHBondContact O-CD 3.41Å | ||
| 755 | T | 92.4 | Very high | 94.8 | Very high | 118 Ų | 118 | 51.4 Ų | 51.4 | 72% | 0.724 | 24% | 0.241 | S | C | * | . | trans | -102.7 | -9 | -179.4 | 56.2 | 0 | 0 | 0 | 0 | 113.4 | K753 P803 | K753-T755 PolarHBondContact O-N 3.29Å; T755-P803 WeakPolarHBondContact O-CD 3.38Å; T755-P803 WeakPolarHBondContact O-CG 3.27Å | ||
| 756 | R | 92.1 | Very high | 94.7 | Very high | 138 Ų | 138 | 49.7 Ų | 49.7 | 52% | 0.521 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -107.3 | 131 | -179.2 | -71.1 | -178.4 | 61.9 | 173.4 | -1.4 | 111 | E758 W759 A760 | R756-E758 VanDerWaalsContact C-N 3.31Å; R756-E758 IonicContact CZ-OE2 2.85Å; R756-E758 IonicContact NH2-OE2 3.63Å; R756-E758 PolarHBondContact NH2-OE2 3.33Å; R756-E758 PolarHBondContact O-N 3.23Å; R756-W759 HydrophobicContact CB-CB 4.37Å; R756-W759 HydrophobicContact CB-CG 4.47Å; R756-W759 PolarHBondContact O-N 2.9Å; R756-W759 VanDerWaalsContact O-N 3.16Å; R756-A760 WeakPolarHBondContact O-CB 3.26Å; R756-A760 PolarHBondContact O-N 3.19Å |
| 757 | Q | 90.9 | Very high | 94.7 | Very high | 142 Ų | 142 | 49.2 Ų | 49.2 | 66% | 0.664 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -57.4 | -39.4 | -178.5 | -176.3 | 177.9 | -9.9 | 0 | 0 | 113.5 | S761 P803 | Q757-S761 WeakPolarHBondContact O-CB 2.99Å; Q757-S761 PolarHBondContact O-N 3.19Å; Q757-S761 PolarHBondContact O-OG 3.47Å; Q757-P803 HydrophobicContact CB-CB 4.28Å |
| 758 | E | 89.8 | Confident | 94.6 | Very high | 132 Ų | 132 | 49.2 Ų | 49.2 | 62% | 0.617 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -62.4 | -44.1 | 178.5 | -63.1 | 170.3 | 159.3 | 0 | 0 | 111.9 | R756 R762 | R756-E758 VanDerWaalsContact C-N 3.31Å; R756-E758 IonicContact CZ-OE2 2.85Å; R756-E758 IonicContact NH2-OE2 3.63Å; R756-E758 PolarHBondContact NH2-OE2 3.33Å; R756-E758 PolarHBondContact O-N 3.23Å; E758-R762 PolarHBondContact O-N 2.93Å |
| 759 | W | 91.9 | Very high | 94.3 | Very high | 69 Ų | 69 | 49.2 Ų | 49.2 | 26% | 0.261 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -72.8 | -42.8 | 179.7 | -72.1 | 92.7 | 0 | 0 | 0 | 111.3 | L718 E754 R756 S761 R762 V763 | L718-W759 HydrophobicContact CD1-CE3 3.69Å; L718-W759 HydrophobicContact CD1-CZ3 4.03Å; L718-W759 HydrophobicContact CD2-CE3 4.07Å; L718-W759 HydrophobicContact CD2-CZ3 4.47Å; L718-W759 HydrophobicContact CG-CE3 3.61Å; L718-W759 HydrophobicContact CG-CZ3 3.69Å; L718-W759 WeakPolarHBondContact O-CZ3 3.49Å; E754-W759 WeakPolarHBondContact OE2-CB 3.08Å; R756-W759 HydrophobicContact CB-CB 4.37Å; R756-W759 HydrophobicContact CB-CG 4.47Å; R756-W759 PolarHBondContact O-N 2.9Å; R756-W759 VanDerWaalsContact O-N 3.16Å; W759-S761 VanDerWaalsContact C-N 3.28Å; W759-S761 PolarHBondContact O-N 3.09Å; W759-R762 PolarHBondContact O-N 3.18Å; W759-R762 VanDerWaalsContact O-N 3.16Å; W759-V763 WeakPolarHBondContact O-CG2 3.35Å; W759-V763 PolarHBondContact O-N 3.34Å |
| 760 | A | 93.9 | Very high | 94.3 | Very high | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.008 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.1 | -41.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | E754 R756 V763 V764 P803 A807 | E754-A760 HydrophobicContact CB-CB 4.2Å; R756-A760 WeakPolarHBondContact O-CB 3.26Å; R756-A760 PolarHBondContact O-N 3.19Å; A760-V763 PolarHBondContact O-N 3.4Å; A760-V764 WeakPolarHBondContact O-CG2 3.36Å; A760-V764 PolarHBondContact O-N 2.87Å; A760-V764 VanDerWaalsContact O-N 3.1Å; A760-P803 HydrophobicContact CB-CB 4.27Å; A760-A807 HydrophobicContact CB-CB 3.85Å |
| 761 | S | 91.7 | Very high | 94.2 | Very high | 52 Ų | 52 | 44.5 Ų | 44.5 | 36% | 0.364 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -64.5 | -44.4 | 175.4 | -56.7 | 0 | 0 | 0 | 0 | 112 | Q757 W759 V763 V764 E765 | Q757-S761 WeakPolarHBondContact O-CB 2.99Å; Q757-S761 PolarHBondContact O-N 3.19Å; Q757-S761 PolarHBondContact O-OG 3.47Å; W759-S761 VanDerWaalsContact C-N 3.28Å; W759-S761 PolarHBondContact O-N 3.09Å; S761-V763 VanDerWaalsContact C-N 3.34Å; S761-V763 PolarHBondContact O-N 3.04Å; S761-V764 WeakPolarHBondContact O-CB 3.34Å; S761-V764 PolarHBondContact O-N 2.71Å; S761-E765 PolarHBondContact O-N 2.95Å |
| 762 | R | 92.8 | Very high | 93.9 | Very high | 79 Ų | 79 | 45.3 Ų | 45.3 | 30% | 0.298 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -62.9 | -39 | 175.8 | 176.5 | 175.9 | -86.8 | -173.5 | -4.5 | 112.3 | L718 E758 W759 V764 E765 L766 | L718-R762 HydrophobicContact CD1-CB 4.42Å; L718-R762 HydrophobicContact CD1-CG 3.93Å; E758-R762 PolarHBondContact O-N 2.93Å; W759-R762 PolarHBondContact O-N 3.18Å; W759-R762 VanDerWaalsContact O-N 3.16Å; R762-V764 VanDerWaalsContact C-N 3.33Å; R762-V764 PolarHBondContact O-N 2.77Å; R762-E765 PolarHBondContact O-N 3.12Å; R762-L766 HydrophobicContact CG-CD1 3.82Å; R762-L766 HydrophobicContact CG-CG 4.38Å; R762-L766 WeakPolarHBondContact O-CG 3.41Å; R762-L766 PolarHBondContact O-N 3.17Å |
| 763 | V | 95.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.2 | -44 | 174.8 | 168.6 | 0 | 0 | 0 | 0 | 110.5 | F714 L718 L751 E754 W759 A760 S761 E765 L766 L767 | F714-V763 HydrophobicContact CE1-CG1 4.27Å; F714-V763 HydrophobicContact CE1-CG2 4.2Å; F714-V763 HydrophobicContact CZ-CG1 3.9Å; F714-V763 HydrophobicContact CZ-CG2 4.2Å; L718-V763 HydrophobicContact CD1-CG2 3.51Å; L718-V763 HydrophobicContact CD2-CG2 3.72Å; L718-V763 HydrophobicContact CG-CG2 4.24Å; L751-V763 HydrophobicContact CB-CG1 3.69Å; L751-V763 HydrophobicContact CD1-CB 3.82Å; L751-V763 HydrophobicContact CD1-CG1 3.38Å; L751-V763 HydrophobicContact CG-CG1 4.08Å; E754-V763 HydrophobicContact CG-CG2 3.93Å; W759-V763 WeakPolarHBondContact O-CG2 3.35Å; W759-V763 PolarHBondContact O-N 3.34Å; A760-V763 PolarHBondContact O-N 3.4Å; S761-V763 VanDerWaalsContact C-N 3.34Å; S761-V763 PolarHBondContact O-N 3.04Å; V763-E765 VanDerWaalsContact C-N 3.33Å; V763-E765 PolarHBondContact O-N 3.18Å; V763-L766 PolarHBondContact O-N 3.02Å; V763-L767 HydrophobicContact CG1-CD1 3.49Å; V763-L767 VanDerWaalsContact CG1-CD1 3.49Å; V763-L767 HydrophobicContact CG1-CG 3.81Å; V763-L767 VanDerWaalsContact O-CB 3.26Å; V763-L767 WeakPolarHBondContact O-CB 3.36Å; V763-L767 VanDerWaalsContact O-CG 3.3Å; V763-L767 WeakPolarHBondContact O-CG 3.49Å; V763-L767 PolarHBondContact O-N 3.36Å |
| 764 | V | 95.8 | Very high | 93.2 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.006 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -57.9 | -46.1 | 177 | 171.8 | 0 | 0 | 0 | 0 | 111.4 | L751 A760 S761 R762 Y768 A807 K810 L811 W814 | L751-V764 HydrophobicContact CD1-CG2 4.3Å; A760-V764 WeakPolarHBondContact O-CG2 3.36Å; A760-V764 PolarHBondContact O-N 2.87Å; A760-V764 VanDerWaalsContact O-N 3.1Å; S761-V764 WeakPolarHBondContact O-CB 3.34Å; S761-V764 PolarHBondContact O-N 2.71Å; R762-V764 VanDerWaalsContact C-N 3.33Å; R762-V764 PolarHBondContact O-N 2.77Å; V764-Y768 VanDerWaalsContact O-CB 3.24Å; V764-Y768 WeakPolarHBondContact O-CB 3.41Å; V764-Y768 PolarHBondContact O-N 3.48Å; V764-A807 HydrophobicContact CG2-CB 3.68Å; V764-A807 WeakPolarHBondContact CG2-O 3.48Å; V764-K810 HydrophobicContact CG1-CB 4.49Å; V764-K810 HydrophobicContact CG1-CD 4.42Å; V764-K810 HydrophobicContact CG1-CG 4.02Å; V764-L811 HydrophobicContact CG1-CB 4.11Å; V764-L811 HydrophobicContact CG1-CD1 4.4Å; V764-L811 HydrophobicContact CG2-CB 4.31Å; V764-W814 HydrophobicContact CG1-CD2 4.44Å; V764-W814 HydrophobicContact CG1-CE3 3.82Å; V764-W814 HydrophobicContact CG1-CH2 4.32Å; V764-W814 HydrophobicContact CG1-CZ3 3.73Å |
| 765 | E | 94.1 | Very high | 93 | Very high | 33 Ų | 33 | 40 Ų | 40 | 15% | 0.154 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.7 | -42.2 | 179.1 | -68.4 | -170.1 | -114.9 | 0 | 0 | 113.3 | P239 S240 Q271 S761 R762 V763 S769 W814 | P239-E765 HydrophobicContact CB-CB 4.11Å; P239-E765 WeakPolarHBondContact CD-OE2 3.42Å; S240-E765 PolarHBondContact N-OE2 3.08Å; Q271-E765 PolarHBondContact OE1-OE2 2.64Å; S761-E765 PolarHBondContact O-N 2.95Å; R762-E765 PolarHBondContact O-N 3.12Å; V763-E765 VanDerWaalsContact C-N 3.33Å; V763-E765 PolarHBondContact O-N 3.18Å; E765-S769 PolarHBondContact O-N 3.48Å; E765-S769 PolarHBondContact O-OG 2.92Å; E765-W814 HydrophobicContact CG-CH2 4.29Å; E765-W814 HydrophobicContact CG-CZ3 4.2Å |
| 766 | L | 95.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -70.5 | -46.1 | 178.5 | -68.8 | 168.3 | 0 | 0 | 0 | 111.6 | P239 A243 V717 L718 V723 R762 V763 Y768 S769 I770 | P239-L766 HydrophobicContact CB-CD2 4.05Å; P239-L766 HydrophobicContact CB-CG 4.35Å; A243-L766 HydrophobicContact CB-CD2 4.48Å; V717-L766 HydrophobicContact CG1-CD1 4.17Å; V717-L766 HydrophobicContact CG1-CD2 4.18Å; L718-L766 HydrophobicContact CD1-CD1 3.99Å; V723-L766 HydrophobicContact CG2-CD2 3.99Å; R762-L766 HydrophobicContact CG-CD1 3.82Å; R762-L766 HydrophobicContact CG-CG 4.38Å; R762-L766 WeakPolarHBondContact O-CG 3.41Å; R762-L766 PolarHBondContact O-N 3.17Å; V763-L766 PolarHBondContact O-N 3.02Å; L766-Y768 PolarHBondContact O-N 2.93Å; L766-S769 PolarHBondContact O-N 2.85Å; L766-I770 VanDerWaalsContact O-CG1 3.3Å; L766-I770 WeakPolarHBondContact O-CG1 3.44Å; L766-I770 PolarHBondContact O-N 3.4Å |
| 767 | L | 97.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.2 | -40 | 179.5 | -73.6 | -174.9 | 0 | 0 | 0 | 111.8 | F714 L747 L751 V763 S769 I770 F771 L811 | F714-L767 HydrophobicContact CD2-CD2 4.24Å; F714-L767 HydrophobicContact CE2-CD2 3.43Å; F714-L767 VanDerWaalsContact CE2-CD2 3.43Å; F714-L767 HydrophobicContact CE2-CG 4.08Å; F714-L767 HydrophobicContact CZ-CD2 3.73Å; F714-L767 HydrophobicContact CZ-CG 3.96Å; L747-L767 HydrophobicContact CB-CD2 3.8Å; L747-L767 HydrophobicContact CD1-CD2 4.03Å; L747-L767 HydrophobicContact CD2-CD2 3.93Å; L747-L767 HydrophobicContact CG-CD2 4.14Å; L751-L767 HydrophobicContact CB-CD1 4.09Å; V763-L767 HydrophobicContact CG1-CD1 3.49Å; V763-L767 VanDerWaalsContact CG1-CD1 3.49Å; V763-L767 HydrophobicContact CG1-CG 3.81Å; V763-L767 VanDerWaalsContact O-CB 3.26Å; V763-L767 WeakPolarHBondContact O-CB 3.36Å; V763-L767 VanDerWaalsContact O-CG 3.3Å; V763-L767 WeakPolarHBondContact O-CG 3.49Å; V763-L767 PolarHBondContact O-N 3.36Å; L767-S769 VanDerWaalsContact C-N 3.28Å; L767-S769 PolarHBondContact O-N 3.34Å; L767-I770 HydrophobicContact CD2-CD1 4.49Å; L767-I770 PolarHBondContact O-N 2.99Å; L767-F771 HydrophobicContact CD2-CE1 4.29Å; L767-F771 VanDerWaalsContact O-CB 3.29Å; L767-F771 WeakPolarHBondContact O-CB 3.47Å; L767-F771 VanDerWaalsContact O-CD1 3.3Å; L767-F771 WeakPolarHBondContact O-CD1 3.45Å; L767-F771 WeakPolarHBondContact O-CG 3.48Å; L767-F771 PolarHBondContact O-N 3.28Å; L767-L811 HydrophobicContact CB-CD1 4.2Å; L767-L811 HydrophobicContact CB-CD2 4.01Å; L767-L811 HydrophobicContact CD1-CD2 3.92Å |
| 768 | Y | 95.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -54.6 | -47.4 | 175.2 | 174.8 | -95.7 | 0 | 0 | 0 | 111.5 | Q263 I267 M270 V764 L766 F771 C772 M775 W814 S818 | Q263-Y768 PolarHBondContact NE2-OH 3.37Å; I267-Y768 HydrophobicContact CD1-CE1 3.9Å; I267-Y768 HydrophobicContact CG1-CD1 4.43Å; I267-Y768 HydrophobicContact CG1-CE1 3.57Å; M270-Y768 HydrophobicContact CE-CE1 4.02Å; M270-Y768 HydrophobicContact CE-CE2 3.82Å; M270-Y768 VanDerWaalsContact CE-CZ 3.46Å; M270-Y768 VanDerWaalsContact CE-OH 3.23Å; M270-Y768 WeakPolarHBondContact CE-OH 3.46Å; V764-Y768 VanDerWaalsContact O-CB 3.24Å; V764-Y768 WeakPolarHBondContact O-CB 3.41Å; V764-Y768 PolarHBondContact O-N 3.48Å; L766-Y768 PolarHBondContact O-N 2.93Å; Y768-F771 PolarHBondContact O-N 2.72Å; Y768-C772 PolarHBondContact O-N 2.96Å; Y768-C772 PolarHBondContact O-SG 3.31Å; Y768-M775 HydrophobicContact CD2-CE 4.19Å; Y768-M775 HydrophobicContact CE2-CE 3.88Å; Y768-W814 HydrophobicContact CD2-CB 3.7Å; Y768-W814 HydrophobicContact CD2-CE3 4.18Å; Y768-W814 HydrophobicContact CE2-CB 3.85Å; Y768-W814 HydrophobicContact CG-CE3 4.06Å; Y768-S818 WeakPolarHBondContact OH-CB 3.33Å; Y768-S818 PolarHBondContact OH-OG 3.03Å |
| 769 | S | 93.6 | Very high | 93 | Very high | 1 Ų | 1 | 18.3 Ų | 18.3 | 1% | 0.007 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -72 | -36.5 | 179.4 | -58.9 | 0 | 0 | 0 | 0 | 112.8 | S240 L247 E765 L766 L767 F771 C772 | S240-S769 WeakPolarHBondContact CA-OG 3.35Å; S240-S769 PolarHBondContact O-OG 3.18Å; L247-S769 WeakPolarHBondContact CD1-O 3.46Å; E765-S769 PolarHBondContact O-N 3.48Å; E765-S769 PolarHBondContact O-OG 2.92Å; L766-S769 PolarHBondContact O-N 2.85Å; L767-S769 VanDerWaalsContact C-N 3.28Å; L767-S769 PolarHBondContact O-N 3.34Å; S769-F771 VanDerWaalsContact C-N 3.3Å; S769-F771 PolarHBondContact O-N 2.97Å; S769-C772 VanDerWaalsContact O-CB 3.27Å; S769-C772 WeakPolarHBondContact O-CB 3.41Å; S769-C772 PolarHBondContact O-N 3.46Å |
| 770 | I | 95.2 | Very high | 93 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -63.6 | -38.2 | 172.7 | -68.1 | 164.5 | 0 | 0 | 0 | 110.5 | F714 V723 F731 F743 L747 L766 L767 C772 L773 | F714-I770 HydrophobicContact CD2-CD1 4.2Å; F714-I770 HydrophobicContact CE2-CD1 4.02Å; V723-I770 HydrophobicContact CG2-CD1 4.35Å; V723-I770 HydrophobicContact CG2-CG1 4.2Å; F731-I770 HydrophobicContact CD2-CD1 4.15Å; F731-I770 HydrophobicContact CD2-CG1 4.23Å; F731-I770 HydrophobicContact CD2-CG2 4.29Å; F731-I770 HydrophobicContact CE2-CD1 3.7Å; F731-I770 HydrophobicContact CE2-CG1 4.24Å; F731-I770 HydrophobicContact CG-CG2 4.38Å; F731-I770 HydrophobicContact CZ-CD1 4.2Å; F743-I770 HydrophobicContact CE1-CG2 4.14Å; F743-I770 HydrophobicContact CZ-CG2 3.83Å; L747-I770 HydrophobicContact CD1-CG2 4.2Å; L766-I770 VanDerWaalsContact O-CG1 3.3Å; L766-I770 WeakPolarHBondContact O-CG1 3.44Å; L766-I770 PolarHBondContact O-N 3.4Å; L767-I770 HydrophobicContact CD2-CD1 4.49Å; L767-I770 PolarHBondContact O-N 2.99Å; I770-C772 PolarHBondContact O-N 2.99Å; I770-L773 HydrophobicContact CG2-CD1 4.24Å; I770-L773 VanDerWaalsContact O-CB 3.28Å; I770-L773 WeakPolarHBondContact O-CB 3.41Å; I770-L773 WeakPolarHBondContact O-CD1 3.42Å; I770-L773 WeakPolarHBondContact O-CG 3.43Å; I770-L773 PolarHBondContact O-N 3.34Å |
| 771 | F | 95.6 | Very high | 93 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -67.6 | -17.5 | 178.1 | -71.7 | 4 | 0 | 0 | 0 | 112.3 | T744 L747 I748 L767 Y768 S769 L773 D774 M775 I778 L782 L811 | T744-F771 HydrophobicContact CG2-CE2 4.32Å; T744-F771 HydrophobicContact CG2-CZ 3.99Å; L747-F771 HydrophobicContact CB-CE1 4.26Å; L747-F771 HydrophobicContact CD1-CE1 3.81Å; I748-F771 HydrophobicContact CD1-CE2 4.33Å; I748-F771 HydrophobicContact CD1-CZ 4.09Å; L767-F771 HydrophobicContact CD2-CE1 4.29Å; L767-F771 VanDerWaalsContact O-CB 3.29Å; L767-F771 WeakPolarHBondContact O-CB 3.47Å; L767-F771 VanDerWaalsContact O-CD1 3.3Å; L767-F771 WeakPolarHBondContact O-CD1 3.45Å; L767-F771 WeakPolarHBondContact O-CG 3.48Å; L767-F771 PolarHBondContact O-N 3.28Å; Y768-F771 PolarHBondContact O-N 2.72Å; S769-F771 VanDerWaalsContact C-N 3.3Å; S769-F771 PolarHBondContact O-N 2.97Å; F771-L773 PolarHBondContact O-N 3.38Å; F771-L773 VanDerWaalsContact O-N 3.11Å; F771-D774 CarbonylContact O-C 3.53Å; F771-D774 PolarHBondContact O-N 3.44Å; F771-M775 HydrophobicContact CB-CE 4.36Å; F771-M775 WeakPolarHBondContact O-CA 3.33Å; F771-M775 PolarHBondContact O-N 2.89Å; F771-I778 HydrophobicContact CB-CD1 4.23Å; F771-I778 HydrophobicContact CB-CG2 4Å; F771-I778 HydrophobicContact CD1-CD1 4.17Å; F771-I778 HydrophobicContact CD1-CG2 3.88Å; F771-I778 HydrophobicContact CD2-CG2 3.36Å; F771-I778 HydrophobicContact CE1-CG2 4.13Å; F771-I778 HydrophobicContact CE2-CG2 3.65Å; F771-I778 HydrophobicContact CG-CD1 4.33Å; F771-I778 HydrophobicContact CG-CG2 3.49Å; F771-I778 VanDerWaalsContact CG-CG2 3.49Å; F771-I778 HydrophobicContact CZ-CG2 4.03Å; F771-L782 HydrophobicContact CE2-CD2 4.43Å; F771-L811 HydrophobicContact CD2-CD1 4.44Å; F771-L811 HydrophobicContact CE2-CD2 3.91Å; F771-L811 HydrophobicContact CE2-CG 4.37Å; F771-L811 HydrophobicContact CZ-CD2 4.43Å |
| 772 | C | 91.8 | Very high | 93.3 | Very high | 17 Ų | 17 | 13.2 Ų | 13.2 | 12% | 0.115 | 6% | 0.062 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -10.9 | 169 | -64 | 0 | 0 | 0 | 0 | 113.9 | F244 L247 Y768 S769 I770 D774 M775 | F244-C772 HydrophobicContact CD2-CB 4.15Å; F244-C772 HydrophobicContact CE2-CB 4.16Å; L247-C772 HydrophobicContact CD1-CB 4.16Å; Y768-C772 PolarHBondContact O-N 2.96Å; Y768-C772 PolarHBondContact O-SG 3.31Å; S769-C772 VanDerWaalsContact O-CB 3.27Å; S769-C772 WeakPolarHBondContact O-CB 3.41Å; S769-C772 PolarHBondContact O-N 3.46Å; I770-C772 PolarHBondContact O-N 2.99Å; C772-D774 PolarHBondContact O-N 3.39Å; C772-M775 WeakPolarHBondContact SG-CE 3.49Å |
| 773 | L | 89.1 | Confident | 93.4 | Very high | 24 Ų | 24 | 9.5 Ų | 9.5 | 13% | 0.126 | 5% | 0.048 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -34.5 | 167.5 | -71.3 | 170.9 | 0 | 0 | 0 | 112.1 | L247 F731 E732 L735 I770 F771 | L247-L773 HydrophobicContact CD1-CD2 3.84Å; L247-L773 HydrophobicContact CD1-CG 3.88Å; L247-L773 HydrophobicContact CG-CD2 4.47Å; F731-L773 HydrophobicContact CB-CD1 3.89Å; E732-L773 HydrophobicContact CB-CD2 4.42Å; L735-L773 HydrophobicContact CD2-CB 4.07Å; I770-L773 HydrophobicContact CG2-CD1 4.24Å; I770-L773 VanDerWaalsContact O-CB 3.28Å; I770-L773 WeakPolarHBondContact O-CB 3.41Å; I770-L773 WeakPolarHBondContact O-CD1 3.42Å; I770-L773 WeakPolarHBondContact O-CG 3.43Å; I770-L773 PolarHBondContact O-N 3.34Å; F771-L773 PolarHBondContact O-N 3.38Å; F771-L773 VanDerWaalsContact O-N 3.11Å |
| 774 | D | 87.6 | Confident | 93.2 | Very high | 16 Ų | 16 | 10 Ų | 10 | 9% | 0.086 | 5% | 0.054 | C | C | . | . | S | Bend | trans | -157.6 | 69.8 | 171.9 | -167.5 | -18.3 | 0 | 0 | 0 | 110.4 | L735 F771 C772 Q776 Q777 I778 R835 | L735-D774 HydrophobicContact CD2-CB 4.29Å; F771-D774 CarbonylContact O-C 3.53Å; F771-D774 PolarHBondContact O-N 3.44Å; C772-D774 PolarHBondContact O-N 3.39Å; D774-Q776 PolarHBondContact O-N 2.96Å; D774-Q776 VanDerWaalsContact O-N 3.16Å; D774-Q777 PolarHBondContact O-N 2.84Å; D774-Q777 WeakPolarHBondContact OD1-CB 3.37Å; D774-Q777 WeakPolarHBondContact OD1-CG 3.24Å; D774-Q777 PolarHBondContact OD1-N 3.41Å; D774-Q777 WeakPolarHBondContact OD2-CG 3.37Å; D774-I778 HydrophobicContact CB-CD1 4.2Å; D774-I778 HydrophobicContact CB-CG1 4.37Å; D774-I778 VanDerWaalsContact O-CB 3.24Å; D774-I778 WeakPolarHBondContact O-CB 3.49Å; D774-I778 WeakPolarHBondContact O-CD1 3.45Å; D774-I778 VanDerWaalsContact O-CG1 3.22Å; D774-I778 WeakPolarHBondContact O-CG1 2.86Å; D774-I778 PolarHBondContact O-N 2.76Å; D774-R835 IonicContact OD2-CZ 2.85Å; D774-R835 IonicContact OD2-NH1 3.69Å; D774-R835 PolarHBondContact OD2-NH1 3.16Å |
| 775 | M | 90.3 | Very high | 93 | Very high | 18 Ų | 18 | 11.3 Ų | 11.3 | 9% | 0.089 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -56.1 | -38.6 | -171.3 | -178.8 | 58.8 | 69.2 | 0 | 0 | 111.8 | Y768 F771 C772 T779 C815 | Y768-M775 HydrophobicContact CD2-CE 4.19Å; Y768-M775 HydrophobicContact CE2-CE 3.88Å; F771-M775 HydrophobicContact CB-CE 4.36Å; F771-M775 WeakPolarHBondContact O-CA 3.33Å; F771-M775 PolarHBondContact O-N 2.89Å; C772-M775 WeakPolarHBondContact SG-CE 3.49Å; M775-T779 WeakPolarHBondContact O-CB 3.45Å; M775-T779 PolarHBondContact O-N 3.25Å; M775-T779 PolarHBondContact O-OG1 2.88Å; M775-C815 HydrophobicContact SD-CB 4.2Å |
| 776 | Q | 87.5 | Confident | 93.1 | Very high | 34 Ų | 34 | 9.9 Ų | 9.9 | 16% | 0.159 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -70 | -55.2 | -175.2 | -169.7 | 179.2 | 4.5 | 0 | 0 | 111.6 | D774 I778 T779 L780 H823 | D774-Q776 PolarHBondContact O-N 2.96Å; D774-Q776 VanDerWaalsContact O-N 3.16Å; Q776-I778 VanDerWaalsContact C-N 3.35Å; Q776-I778 PolarHBondContact O-N 3.17Å; Q776-T779 PolarHBondContact O-N 3.34Å; Q776-L780 WeakPolarHBondContact O-CG 3.45Å; Q776-L780 PolarHBondContact O-N 3.36Å; Q776-H823 PolarHBondContact NE2-CE1 3.07Å; Q776-H823 PolarHBondContact NE2-NE2 2.79Å |
| 777 | Q | 87.4 | Confident | 93.1 | Very high | 40 Ų | 40 | 9.9 Ų | 9.9 | 19% | 0.187 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -67.6 | -38.1 | -177.3 | -63.5 | -66.8 | -12.4 | 0 | 0 | 111.7 | V740 D774 L780 T781 | V740-Q777 HydrophobicContact CG1-CB 3.9Å; V740-Q777 HydrophobicContact CG2-CB 4.01Å; D774-Q777 PolarHBondContact O-N 2.84Å; D774-Q777 WeakPolarHBondContact OD1-CB 3.37Å; D774-Q777 WeakPolarHBondContact OD1-CG 3.24Å; D774-Q777 PolarHBondContact OD1-N 3.41Å; D774-Q777 WeakPolarHBondContact OD2-CG 3.37Å; Q777-L780 PolarHBondContact O-N 3.41Å; Q777-T781 WeakPolarHBondContact O-CB 3.45Å; Q777-T781 PolarHBondContact O-N 3.41Å; Q777-T781 PolarHBondContact O-OG1 2.84Å |
| 778 | I | 94.6 | Very high | 93 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -65.2 | -41.3 | 177.4 | -67.4 | 170.8 | 0 | 0 | 0 | 110.6 | L735 V740 F743 T744 F771 D774 Q776 T781 L782 | L735-I778 HydrophobicContact CD2-CD1 4.41Å; V740-I778 HydrophobicContact CG1-CB 4.49Å; V740-I778 HydrophobicContact CG1-CG1 3.81Å; F743-I778 HydrophobicContact CD1-CD1 4.42Å; F743-I778 HydrophobicContact CE1-CD1 4.37Å; T744-I778 HydrophobicContact CG2-CG2 3.82Å; F771-I778 HydrophobicContact CB-CD1 4.23Å; F771-I778 HydrophobicContact CB-CG2 4Å; F771-I778 HydrophobicContact CD1-CD1 4.17Å; F771-I778 HydrophobicContact CD1-CG2 3.88Å; F771-I778 HydrophobicContact CD2-CG2 3.36Å; F771-I778 HydrophobicContact CE1-CG2 4.13Å; F771-I778 HydrophobicContact CE2-CG2 3.65Å; F771-I778 HydrophobicContact CG-CD1 4.33Å; F771-I778 HydrophobicContact CG-CG2 3.49Å; F771-I778 VanDerWaalsContact CG-CG2 3.49Å; F771-I778 HydrophobicContact CZ-CG2 4.03Å; D774-I778 HydrophobicContact CB-CD1 4.2Å; D774-I778 HydrophobicContact CB-CG1 4.37Å; D774-I778 VanDerWaalsContact O-CB 3.24Å; D774-I778 WeakPolarHBondContact O-CB 3.49Å; D774-I778 WeakPolarHBondContact O-CD1 3.45Å; D774-I778 VanDerWaalsContact O-CG1 3.22Å; D774-I778 WeakPolarHBondContact O-CG1 2.86Å; D774-I778 PolarHBondContact O-N 2.76Å; Q776-I778 VanDerWaalsContact C-N 3.35Å; Q776-I778 PolarHBondContact O-N 3.17Å; I778-T781 PolarHBondContact O-N 3.35Å; I778-L782 VanDerWaalsContact O-CB 3.26Å; I778-L782 WeakPolarHBondContact O-CB 3.29Å; I778-L782 PolarHBondContact O-N 3.24Å |
| 779 | T | 94.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -63.6 | -44.5 | 176.6 | -61.4 | 0 | 0 | 0 | 0 | 111.7 | M775 Q776 T781 L782 L783 C815 S819 L897 | M775-T779 WeakPolarHBondContact O-CB 3.45Å; M775-T779 PolarHBondContact O-N 3.25Å; M775-T779 PolarHBondContact O-OG1 2.88Å; Q776-T779 PolarHBondContact O-N 3.34Å; T779-T781 VanDerWaalsContact C-N 3.33Å; T779-T781 PolarHBondContact O-N 3.49Å; T779-L782 PolarHBondContact O-N 3.07Å; T779-L783 HydrophobicContact CG2-CD1 3.6Å; T779-L783 HydrophobicContact CG2-CG 4.16Å; T779-L783 WeakPolarHBondContact O-CB 3.31Å; T779-L783 WeakPolarHBondContact O-CG 3.48Å; T779-L783 PolarHBondContact O-N 2.74Å; T779-C815 HydrophobicContact CG2-CB 4.15Å; T779-C815 WeakPolarHBondContact OG1-CB 3.29Å; T779-C815 PolarHBondContact OG1-O 3.11Å; T779-S819 WeakPolarHBondContact CB-OG 3.48Å; T779-S819 PolarHBondContact OG1-OG 3.43Å; T779-L897 HydrophobicContact CG2-CD1 3.87Å |
| 780 | L | 92.4 | Very high | 93 | Very high | 8 Ų | 8 | 15.9 Ų | 15.9 | 4% | 0.042 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -61.3 | -42.6 | 176.6 | -67.6 | 174.7 | 0 | 0 | 0 | 111.7 | Q776 Q777 G784 Y843 P896 L897 V900 | Q776-L780 WeakPolarHBondContact O-CG 3.45Å; Q776-L780 PolarHBondContact O-N 3.36Å; Q777-L780 PolarHBondContact O-N 3.41Å; L780-G784 VanDerWaalsContact O-CA 3.27Å; L780-G784 WeakPolarHBondContact O-CA 3.32Å; L780-G784 PolarHBondContact O-N 3.18Å; L780-Y843 PolarHBondContact O-OH 3.49Å; L780-P896 HydrophobicContact CD1-CB 4.01Å; L780-P896 HydrophobicContact CD2-CB 3.85Å; L780-L897 HydrophobicContact CD2-CB 4.13Å; L780-L897 HydrophobicContact CD2-CD1 4.35Å; L780-V900 HydrophobicContact CD2-CG2 4.17Å |
| 781 | T | 94.7 | Very high | 93 | Very high | 7 Ų | 7 | 16 Ų | 16 | 4% | 0.043 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -63 | -46.9 | 175.9 | -60.1 | 0 | 0 | 0 | 0 | 112.3 | V740 F741 T744 Q777 I778 T779 T785 I786 Y843 | V740-T781 WeakPolarHBondContact CG1-OG1 3.49Å; F741-T781 HydrophobicContact CB-CG2 4.21Å; F741-T781 HydrophobicContact CD2-CG2 4.01Å; T744-T781 HydrophobicContact CG2-CG2 4.48Å; Q777-T781 WeakPolarHBondContact O-CB 3.45Å; Q777-T781 PolarHBondContact O-N 3.41Å; Q777-T781 PolarHBondContact O-OG1 2.84Å; I778-T781 PolarHBondContact O-N 3.35Å; T779-T781 VanDerWaalsContact C-N 3.33Å; T779-T781 PolarHBondContact O-N 3.49Å; T781-T785 WeakPolarHBondContact O-CB 3.28Å; T781-T785 PolarHBondContact O-N 3.44Å; T781-T785 VanDerWaalsContact O-N 3.11Å; T781-I786 HydrophobicContact CG2-CD1 3.84Å; T781-I786 HydrophobicContact CG2-CG1 4.33Å; T781-I786 PolarHBondContact O-N 2.9Å; T781-Y843 VanDerWaalsContact CA-OH 3.28Å; T781-Y843 WeakPolarHBondContact CA-OH 3.28Å |
| 782 | L | 97.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.114 | C | C | . | . | I | π-helix | trans | -62 | -53.7 | -179.3 | 177 | 60.6 | 0 | 0 | 0 | 111 | T744 I748 F771 I778 T779 I786 L787 L808 C815 | T744-L782 HydrophobicContact CG2-CB 4.3Å; I748-L782 HydrophobicContact CD1-CD1 3.92Å; I748-L782 HydrophobicContact CG1-CD1 3.89Å; F771-L782 HydrophobicContact CE2-CD2 4.43Å; I778-L782 VanDerWaalsContact O-CB 3.26Å; I778-L782 WeakPolarHBondContact O-CB 3.29Å; I778-L782 PolarHBondContact O-N 3.24Å; T779-L782 PolarHBondContact O-N 3.07Å; L782-I786 HydrophobicContact CD1-CG2 4.46Å; L782-L787 WeakPolarHBondContact O-CB 3.42Å; L782-L787 PolarHBondContact O-N 2.82Å; L782-L808 HydrophobicContact CD1-CD1 4.13Å; L782-C815 HydrophobicContact CD2-CB 4.48Å |
| 783 | L | 95.4 | Very high | 92.7 | Very high | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | I | π-helix | trans | -80.6 | -31.8 | -173.2 | -59.5 | 179.8 | 0 | 0 | 0 | 112.9 | T779 L787 P788 A816 L897 V900 L901 L904 | T779-L783 HydrophobicContact CG2-CD1 3.6Å; T779-L783 HydrophobicContact CG2-CG 4.16Å; T779-L783 WeakPolarHBondContact O-CB 3.31Å; T779-L783 WeakPolarHBondContact O-CG 3.48Å; T779-L783 PolarHBondContact O-N 2.74Å; L783-L787 HydrophobicContact CD2-CD2 4.31Å; L783-P788 VanDerWaalsContact O-CD 3.27Å; L783-P788 WeakPolarHBondContact O-CD 3.43Å; L783-P788 WeakPolarHBondContact O-CG 3.45Å; L783-A816 HydrophobicContact CD1-CB 3.97Å; L783-L897 HydrophobicContact CD1-CD1 4.11Å; L783-V900 VanDerWaalsContact C-CG1 3.44Å; L783-V900 HydrophobicContact CB-CG1 3.39Å; L783-L901 HydrophobicContact CD1-CD2 3.92Å; L783-L901 HydrophobicContact CD1-CG 4.46Å; L783-L904 HydrophobicContact CD2-CD2 4.2Å |
| 784 | G | 90.9 | Very high | 92.7 | Very high | 11 Ų | 11 | 25.1 Ų | 25.1 | 11% | 0.113 | 15% | 0.146 | C | C | . | . | I | π-helix | trans | -90.6 | -24.7 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | L780 | L780-G784 VanDerWaalsContact O-CA 3.27Å; L780-G784 WeakPolarHBondContact O-CA 3.32Å; L780-G784 PolarHBondContact O-N 3.18Å |
| 785 | T | 92.2 | Very high | 92.9 | Very high | 27 Ų | 27 | 27 Ų | 27 | 17% | 0.166 | 16% | 0.163 | C | C | . | . | I | π-helix | trans | -129.8 | -55 | -172.9 | -45.7 | 0 | 0 | 0 | 0 | 112.6 | F741 T781 N789 Y843 | F741-T785 HydrophobicContact CD2-CG2 4.15Å; F741-T785 HydrophobicContact CE2-CG2 3.76Å; T781-T785 WeakPolarHBondContact O-CB 3.28Å; T781-T785 PolarHBondContact O-N 3.44Å; T781-T785 VanDerWaalsContact O-N 3.11Å; T785-N789 WeakPolarHBondContact O-CB 3.3Å; T785-N789 PolarHBondContact O-N 2.95Å; T785-N789 PolarHBondContact O-ND2 3.07Å; T785-N789 VanDerWaalsContact O-ND2 3.14Å; T785-Y843 PolarHBondContact OG1-OH 2.88Å |
| 786 | I | 95.8 | Very high | 92.9 | Very high | 4 Ų | 4 | 29.8 Ų | 29.8 | 2% | 0.021 | 18% | 0.176 | C | C | . | . | I | π-helix | trans | -68.9 | -51.2 | -173.3 | -65.5 | 166.6 | 0 | 0 | 0 | 111 | F741 T744 N745 I748 T781 L782 N789 L790 | F741-I786 HydrophobicContact CD2-CG1 4.42Å; F741-I786 HydrophobicContact CE2-CG1 4.11Å; T744-I786 HydrophobicContact CG2-CD1 3.46Å; T744-I786 VanDerWaalsContact CG2-CD1 3.46Å; N745-I786 HydrophobicContact CB-CD1 4Å; N745-I786 HydrophobicContact CB-CG1 4.37Å; I748-I786 HydrophobicContact CG1-CG2 4.49Å; I748-I786 HydrophobicContact CG2-CG2 4.3Å; T781-I786 HydrophobicContact CG2-CD1 3.84Å; T781-I786 HydrophobicContact CG2-CG1 4.33Å; T781-I786 PolarHBondContact O-N 2.9Å; L782-I786 HydrophobicContact CD1-CG2 4.46Å; I786-N789 PolarHBondContact O-N 3.5Å; I786-L790 HydrophobicContact CG2-CD1 3.97Å; I786-L790 WeakPolarHBondContact O-CG 3.36Å; I786-L790 PolarHBondContact O-N 3.24Å; I786-L790 VanDerWaalsContact O-N 3.08Å |
| 787 | L | 96.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.7 | -44.8 | -176.1 | -178.2 | 63.7 | 0 | 0 | 0 | 112.8 | L782 L783 N789 L790 L791 L808 L904 F923 | L782-L787 WeakPolarHBondContact O-CB 3.42Å; L782-L787 PolarHBondContact O-N 2.82Å; L783-L787 HydrophobicContact CD2-CD2 4.31Å; L787-N789 VanDerWaalsContact C-N 3.29Å; L787-N789 PolarHBondContact O-N 3.21Å; L787-L790 PolarHBondContact O-N 3.01Å; L787-L791 HydrophobicContact CD1-CD1 3.89Å; L787-L791 HydrophobicContact CD1-CG 4.04Å; L787-L791 HydrophobicContact CD2-CD1 4.48Å; L787-L791 HydrophobicContact CG-CD1 3.81Å; L787-L791 HydrophobicContact CG-CG 4.37Å; L787-L791 WeakPolarHBondContact O-CG 3.4Å; L787-L791 PolarHBondContact O-N 2.69Å; L787-L808 HydrophobicContact CD1-CD2 4.14Å; L787-L904 HydrophobicContact CD2-CD1 3.78Å; L787-L904 HydrophobicContact CD2-CD2 3.93Å; L787-L904 HydrophobicContact CG-CD1 4.21Å; L787-F923 HydrophobicContact CD1-CD1 4.38Å; L787-F923 HydrophobicContact CD1-CD2 4.46Å; L787-F923 HydrophobicContact CD1-CE1 3.63Å; L787-F923 HydrophobicContact CD1-CE2 3.69Å; L787-F923 HydrophobicContact CD1-CZ 3.24Å; L787-F923 HydrophobicContact CD2-CE1 3.82Å; L787-F923 HydrophobicContact CD2-CZ 3.64Å; L787-F923 HydrophobicContact CG-CE1 4.19Å; L787-F923 HydrophobicContact CG-CZ 4.04Å |
| 788 | P | 94.7 | Very high | 93.4 | Very high | 24 Ų | 24 | 35.5 Ų | 35.5 | 16% | 0.156 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -55.7 | -41.7 | 173.1 | -29.2 | 37.9 | 0 | 0 | 0 | 113.4 | L783 L791 T792 L907 | L783-P788 VanDerWaalsContact O-CD 3.27Å; L783-P788 WeakPolarHBondContact O-CD 3.43Å; L783-P788 WeakPolarHBondContact O-CG 3.45Å; P788-L791 PolarHBondContact O-N 3Å; P788-T792 WeakPolarHBondContact O-CB 3.49Å; P788-T792 WeakPolarHBondContact O-CG2 3.25Å; P788-T792 PolarHBondContact O-N 2.78Å; P788-T792 PolarHBondContact O-OG1 3.19Å; P788-L907 HydrophobicContact CB-CD2 4.08Å |
| 789 | N | 93.6 | Very high | 93.4 | Very high | 86 Ų | 86 | 36.6 Ų | 36.6 | 46% | 0.46 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -63.8 | -43.1 | 177.5 | -71.5 | -16.9 | 0 | 0 | 0 | 112.1 | T785 I786 L787 L791 D793 | T785-N789 WeakPolarHBondContact O-CB 3.3Å; T785-N789 PolarHBondContact O-N 2.95Å; T785-N789 PolarHBondContact O-ND2 3.07Å; T785-N789 VanDerWaalsContact O-ND2 3.14Å; I786-N789 PolarHBondContact O-N 3.5Å; L787-N789 VanDerWaalsContact C-N 3.29Å; L787-N789 PolarHBondContact O-N 3.21Å; N789-L791 VanDerWaalsContact C-N 3.29Å; N789-L791 PolarHBondContact O-N 3.32Å; N789-D793 WeakPolarHBondContact O-CB 3.41Å; N789-D793 PolarHBondContact O-N 3.03Å |
| 790 | L | 95.7 | Very high | 93.4 | Very high | 17 Ų | 17 | 36.6 Ų | 36.6 | 9% | 0.089 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.9 | -31.8 | 177.6 | -69.9 | 172.3 | 0 | 0 | 0 | 113.1 | I748 L752 I786 L787 H796 L800 L808 | I748-L790 HydrophobicContact CG2-CD1 4.25Å; L752-L790 HydrophobicContact CD1-CD1 4.1Å; L752-L790 HydrophobicContact CD1-CD2 4.06Å; I786-L790 HydrophobicContact CG2-CD1 3.97Å; I786-L790 WeakPolarHBondContact O-CG 3.36Å; I786-L790 PolarHBondContact O-N 3.24Å; I786-L790 VanDerWaalsContact O-N 3.08Å; L787-L790 PolarHBondContact O-N 3.01Å; L790-H796 HydrophobicContact CD2-CB 3.93Å; L790-L800 HydrophobicContact CB-CD1 4.48Å; L790-L808 HydrophobicContact CD1-CD2 3.71Å |
| 791 | L | 94.9 | Very high | 93.5 | Very high | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -87.3 | -27.8 | -176.8 | -68.6 | 174.2 | 0 | 0 | 0 | 113.6 | L787 P788 N789 W797 L800 L904 L907 F908 I911 H920 F923 | L787-L791 HydrophobicContact CD1-CD1 3.89Å; L787-L791 HydrophobicContact CD1-CG 4.04Å; L787-L791 HydrophobicContact CD2-CD1 4.48Å; L787-L791 HydrophobicContact CG-CD1 3.81Å; L787-L791 HydrophobicContact CG-CG 4.37Å; L787-L791 WeakPolarHBondContact O-CG 3.4Å; L787-L791 PolarHBondContact O-N 2.69Å; P788-L791 PolarHBondContact O-N 3Å; N789-L791 VanDerWaalsContact C-N 3.29Å; N789-L791 PolarHBondContact O-N 3.32Å; L791-W797 PolarHBondContact O-NE1 3.34Å; L791-L800 HydrophobicContact CD2-CD1 3.86Å; L791-L904 HydrophobicContact CD1-CD1 4.49Å; L791-L907 HydrophobicContact CB-CD2 4.14Å; L791-L907 HydrophobicContact CD1-CD2 4.16Å; L791-F908 HydrophobicContact CD1-CD1 4.23Å; L791-F908 HydrophobicContact CD1-CE1 3.64Å; L791-I911 HydrophobicContact CB-CD1 3.95Å; L791-I911 HydrophobicContact CD1-CD1 4.26Å; L791-I911 HydrophobicContact CD2-CD1 4.41Å; L791-I911 HydrophobicContact CG-CD1 4.45Å; L791-H920 HydrophobicContact CD2-CB 4.04Å; L791-F923 HydrophobicContact CD1-CD1 4.1Å; L791-F923 HydrophobicContact CD1-CE1 4.14Å; L791-F923 HydrophobicContact CD2-CB 4.11Å; L791-F923 HydrophobicContact CD2-CD1 3.72Å; L791-F923 HydrophobicContact CD2-CE1 4.45Å; L791-F923 HydrophobicContact CD2-CG 3.95Å; L791-F923 HydrophobicContact CG-CD1 4.46Å |
| 792 | T | 91.3 | Very high | 93.3 | Very high | 85 Ų | 85 | 41.1 Ų | 41.1 | 52% | 0.521 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -90.6 | -33.9 | -177.7 | 51.7 | 0 | 0 | 0 | 0 | 113.1 | P788 S794 L907 | P788-T792 WeakPolarHBondContact O-CB 3.49Å; P788-T792 WeakPolarHBondContact O-CG2 3.25Å; P788-T792 PolarHBondContact O-N 2.78Å; P788-T792 PolarHBondContact O-OG1 3.19Å; T792-S794 PolarHBondContact O-N 3.42Å; T792-L907 HydrophobicContact CG2-CD1 3.64Å; T792-L907 HydrophobicContact CG2-CD2 4.21Å |
| 793 | D | 90.1 | Very high | 93.2 | Very high | 68 Ų | 68 | 42.4 Ų | 42.4 | 36% | 0.364 | 25% | 0.247 | S | C | . | . | trans | -85.8 | 114.1 | 179.2 | -172 | -4.6 | 0 | 0 | 0 | 111.9 | N789 A795 H796 W797 | N789-D793 WeakPolarHBondContact O-CB 3.41Å; N789-D793 PolarHBondContact O-N 3.03Å; D793-A795 PolarHBondContact O-N 3.13Å; D793-A795 VanDerWaalsContact O-N 3.12Å; D793-A795 VanDerWaalsContact OD1-CB 3.31Å; D793-A795 WeakPolarHBondContact OD1-CB 3.21Å; D793-A795 PolarHBondContact OD1-N 3.42Å; D793-H796 PolarHBondContact O-N 3.39Å; D793-H796 IonicContact OD2-CD2 2.63Å; D793-H796 IonicContact OD2-NE2 2.66Å; D793-W797 VanDerWaalsContact O-CD1 3.28Å; D793-W797 PolarHBondContact O-NE1 3.06Å | ||
| 794 | S | 89.6 | Confident | 93.2 | Very high | 80 Ų | 80 | 42.9 Ų | 42.9 | 56% | 0.559 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -25.3 | 175.9 | 65.2 | 0 | 0 | 0 | 0 | 114.3 | T792 H796 W797 | T792-S794 PolarHBondContact O-N 3.42Å; S794-H796 PolarHBondContact O-N 3.25Å; S794-W797 PolarHBondContact O-N 2.88Å |
| 795 | A | 91.3 | Very high | 93.5 | Very high | 54 Ų | 54 | 42.3 Ų | 42.3 | 45% | 0.446 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -24.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | D793 H798 | D793-A795 PolarHBondContact O-N 3.13Å; D793-A795 VanDerWaalsContact O-N 3.12Å; D793-A795 VanDerWaalsContact OD1-CB 3.31Å; D793-A795 WeakPolarHBondContact OD1-CB 3.21Å; D793-A795 PolarHBondContact OD1-N 3.42Å; A795-H798 PolarHBondContact O-CE1 2.87Å; A795-H798 PolarHBondContact O-ND1 3.31Å |
| 796 | H | 90.7 | Very high | 93.7 | Very high | 77 Ų | 77 | 45.4 Ų | 45.4 | 36% | 0.356 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | -15.2 | -177.3 | -66.6 | -42.5 | 0 | 0 | 0 | 114.4 | L790 D793 S794 H798 S799 | L790-H796 HydrophobicContact CD2-CB 3.93Å; D793-H796 PolarHBondContact O-N 3.39Å; D793-H796 IonicContact OD2-CD2 2.63Å; D793-H796 IonicContact OD2-NE2 2.66Å; S794-H796 PolarHBondContact O-N 3.25Å; H796-H798 VanDerWaalsContact C-N 3.27Å; H796-H798 PolarHBondContact O-N 2.81Å; H796-H798 VanDerWaalsContact O-N 3.15Å; H796-S799 WeakPolarHBondContact O-CB 3.37Å; H796-S799 PolarHBondContact O-N 3.47Å; H796-S799 PolarHBondContact O-OG 3.49Å |
| 797 | W | 93.1 | Very high | 93.7 | Very high | 50 Ų | 50 | 45.5 Ų | 45.5 | 19% | 0.189 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -58.4 | -35.5 | -173.1 | -64.9 | -8.6 | 0 | 0 | 0 | 114 | L791 D793 S794 S799 L800 M916 P919 H920 | L791-W797 PolarHBondContact O-NE1 3.34Å; D793-W797 VanDerWaalsContact O-CD1 3.28Å; D793-W797 PolarHBondContact O-NE1 3.06Å; S794-W797 PolarHBondContact O-N 2.88Å; W797-S799 PolarHBondContact O-N 3.07Å; W797-L800 WeakPolarHBondContact O-CB 3.28Å; W797-L800 PolarHBondContact O-N 3.09Å; W797-M916 HydrophobicContact CH2-CE 3.86Å; W797-M916 HydrophobicContact CZ3-CE 4.33Å; W797-P919 WeakPolarHBondContact O-CB 3.43Å; W797-P919 WeakPolarHBondContact O-CG 3.41Å; W797-H920 AromaticContact CD2-ND1 3.74Å; W797-H920 AromaticContact CE2-CG 3.94Å; W797-H920 AromaticContact CE3-CE1 3.93Å; W797-H920 AromaticContact CE3-ND1 3.91Å; W797-H920 HydrophobicContact CG-CB 4.32Å; W797-H920 AromaticContact CZ3-CE1 3.96Å |
| 798 | H | 92.6 | Very high | 93.8 | Very high | 144 Ų | 144 | 45.5 Ų | 45.5 | 67% | 0.667 | 26% | 0.257 | S | S | * | . | G | 310 helix | trans | -61.1 | -30 | 178 | 69.9 | -85.1 | 0 | 0 | 0 | 112.9 | A795 H796 L800 A801 | A795-H798 PolarHBondContact O-CE1 2.87Å; A795-H798 PolarHBondContact O-ND1 3.31Å; H796-H798 VanDerWaalsContact C-N 3.27Å; H796-H798 PolarHBondContact O-N 2.81Å; H796-H798 VanDerWaalsContact O-N 3.15Å; H798-L800 PolarHBondContact O-N 3.49Å; H798-A801 WeakPolarHBondContact O-CB 3.33Å; H798-A801 PolarHBondContact O-N 3.31Å |
| 799 | S | 93.9 | Very high | 93.9 | Very high | 23 Ų | 23 | 44.4 Ų | 44.4 | 16% | 0.161 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -73.7 | -16 | 176.8 | 72.7 | 0 | 0 | 0 | 0 | 113.5 | H796 W797 P804 | H796-S799 WeakPolarHBondContact O-CB 3.37Å; H796-S799 PolarHBondContact O-N 3.47Å; H796-S799 PolarHBondContact O-OG 3.49Å; W797-S799 PolarHBondContact O-N 3.07Å; S799-P804 WeakPolarHBondContact O-CG 3.43Å |
| 800 | L | 95.3 | Very high | 94 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -90.8 | -0.5 | 176 | -61.1 | 176.7 | 0 | 0 | 0 | 112.8 | L752 L790 L791 W797 H798 D802 G805 L808 P919 | L752-L800 HydrophobicContact CD2-CD2 4.17Å; L790-L800 HydrophobicContact CB-CD1 4.48Å; L791-L800 HydrophobicContact CD2-CD1 3.86Å; W797-L800 WeakPolarHBondContact O-CB 3.28Å; W797-L800 PolarHBondContact O-N 3.09Å; H798-L800 PolarHBondContact O-N 3.49Å; L800-D802 PolarHBondContact O-N 2.71Å; L800-G805 VanDerWaalsContact O-CA 3.26Å; L800-G805 WeakPolarHBondContact O-CA 3.5Å; L800-L808 HydrophobicContact CD2-CD2 3.94Å; L800-P919 HydrophobicContact CB-CB 3.94Å |
| 801 | A | 93.9 | Very high | 94.1 | Very high | 43 Ų | 43 | 42.3 Ų | 42.3 | 36% | 0.355 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -60.8 | 138.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | H798 P804 P919 | H798-A801 WeakPolarHBondContact O-CB 3.33Å; H798-A801 PolarHBondContact O-N 3.31Å; A801-P804 WeakPolarHBondContact O-CD 3.27Å; A801-P804 VanDerWaalsContact O-CG 3.23Å; A801-P804 WeakPolarHBondContact O-CG 3.32Å; A801-P919 HydrophobicContact CB-CG 4.38Å |
| 802 | D | 91.2 | Very high | 94.2 | Very high | 67 Ų | 67 | 42.2 Ų | 42.2 | 36% | 0.358 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | 144.5 | -177.9 | -85.2 | -4.6 | 0 | 0 | 0 | 112.4 | L800 K806 Q922 | L800-D802 PolarHBondContact O-N 2.71Å; D802-K806 VanDerWaalsContact OD1-CB 3.26Å; D802-K806 WeakPolarHBondContact OD1-CB 3.44Å; D802-K806 PolarHBondContact OD1-N 3.45Å; D802-Q922 PolarHBondContact OD2-NE2 3.09Å |
| 803 | P | 94.6 | Very high | 94.3 | Very high | 28 Ų | 28 | 38.2 Ų | 38.2 | 18% | 0.182 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -84.5 | -19.6 | 10.7 | 32.5 | -34.3 | 0 | 0 | 0 | 120.1 | T755 Q757 A760 G805 K806 A807 | T755-P803 WeakPolarHBondContact O-CD 3.38Å; T755-P803 WeakPolarHBondContact O-CG 3.27Å; Q757-P803 HydrophobicContact CB-CB 4.28Å; A760-P803 HydrophobicContact CB-CB 4.27Å; P803-G805 PolarHBondContact O-N 3.44Å; P803-K806 PolarHBondContact O-N 3.44Å; P803-A807 PolarHBondContact O-N 3.46Å; P803-A807 VanDerWaalsContact O-N 3.13Å |
| 804 | P | 95.8 | Very high | 94.5 | Very high | 10 Ų | 10 | 35.1 Ų | 35.1 | 7% | 0.065 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.5 | -31.4 | -172.3 | 22 | -33.9 | 0 | 0 | 0 | 114.1 | L752 E754 S799 A801 A807 L808 | L752-P804 HydrophobicContact CD2-CB 4.06Å; E754-P804 VanDerWaalsContact O-CD 3.29Å; E754-P804 WeakPolarHBondContact O-CD 3.41Å; S799-P804 WeakPolarHBondContact O-CG 3.43Å; A801-P804 WeakPolarHBondContact O-CD 3.27Å; A801-P804 VanDerWaalsContact O-CG 3.23Å; A801-P804 WeakPolarHBondContact O-CG 3.32Å; P804-A807 PolarHBondContact O-N 2.92Å; P804-L808 WeakPolarHBondContact O-CB 3.44Å; P804-L808 PolarHBondContact O-N 2.75Å |
| 805 | G | 96.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.5 | -52.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L800 P803 A807 L808 A809 F923 | L800-G805 VanDerWaalsContact O-CA 3.26Å; L800-G805 WeakPolarHBondContact O-CA 3.5Å; P803-G805 PolarHBondContact O-N 3.44Å; G805-A807 VanDerWaalsContact C-N 3.31Å; G805-A807 PolarHBondContact O-N 3.01Å; G805-L808 PolarHBondContact O-N 3.03Å; G805-A809 PolarHBondContact O-N 2.92Å; G805-F923 WeakPolarHBondContact O-CD2 3.49Å |
| 806 | K | 96 | Very high | 94.7 | Very high | 91 Ų | 91 | 28.8 Ų | 28.8 | 40% | 0.396 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -58.1 | -40.7 | 173.3 | -179.1 | 165.1 | -174 | 158.9 | 0 | 113 | D802 P803 A809 K810 E929 | D802-K806 VanDerWaalsContact OD1-CB 3.26Å; D802-K806 WeakPolarHBondContact OD1-CB 3.44Å; D802-K806 PolarHBondContact OD1-N 3.45Å; P803-K806 PolarHBondContact O-N 3.44Å; K806-A809 PolarHBondContact O-N 3.37Å; K806-K810 PolarHBondContact O-N 2.89Å; K806-E929 IonicContact NZ-OE2 3.4Å |
| 807 | A | 97.1 | Very high | 94.6 | Very high | 7 Ų | 7 | 25.4 Ų | 25.4 | 6% | 0.058 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -65.3 | -41.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L751 A760 V764 P803 P804 G805 A809 K810 L811 | L751-A807 HydrophobicContact CD1-CB 3.83Å; A760-A807 HydrophobicContact CB-CB 3.85Å; V764-A807 HydrophobicContact CG2-CB 3.68Å; V764-A807 WeakPolarHBondContact CG2-O 3.48Å; P803-A807 PolarHBondContact O-N 3.46Å; P803-A807 VanDerWaalsContact O-N 3.13Å; P804-A807 PolarHBondContact O-N 2.92Å; G805-A807 VanDerWaalsContact C-N 3.31Å; G805-A807 PolarHBondContact O-N 3.01Å; A807-A809 VanDerWaalsContact C-N 3.35Å; A807-K810 WeakPolarHBondContact O-CB 3.3Å; A807-K810 PolarHBondContact O-N 3.33Å; A807-L811 PolarHBondContact O-N 3.44Å |
| 808 | L | 98.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64.4 | -40 | 174.8 | 179.9 | 62 | 0 | 0 | 0 | 111.7 | I748 L751 L752 L782 L787 L790 L800 P804 G805 K810 L811 S812 F923 | I748-L808 HydrophobicContact CD1-CD1 3.79Å; I748-L808 HydrophobicContact CG1-CD1 4.42Å; I748-L808 HydrophobicContact CG2-CD1 3.92Å; I748-L808 HydrophobicContact CG2-CD2 4.4Å; L751-L808 HydrophobicContact CD2-CB 3.96Å; L751-L808 HydrophobicContact CD2-CD1 4.06Å; L752-L808 HydrophobicContact CD2-CD2 4.25Å; L782-L808 HydrophobicContact CD1-CD1 4.13Å; L787-L808 HydrophobicContact CD1-CD2 4.14Å; L790-L808 HydrophobicContact CD1-CD2 3.71Å; L800-L808 HydrophobicContact CD2-CD2 3.94Å; P804-L808 WeakPolarHBondContact O-CB 3.44Å; P804-L808 PolarHBondContact O-N 2.75Å; G805-L808 PolarHBondContact O-N 3.03Å; L808-K810 VanDerWaalsContact C-N 3.3Å; L808-K810 PolarHBondContact O-N 3.42Å; L808-L811 PolarHBondContact O-N 2.68Å; L808-S812 WeakPolarHBondContact O-CB 3.38Å; L808-S812 PolarHBondContact O-N 3.4Å; L808-S812 PolarHBondContact O-OG 2.76Å; L808-F923 HydrophobicContact CB-CE2 4.08Å; L808-F923 HydrophobicContact CD2-CE2 4.09Å; L808-F923 HydrophobicContact CG-CE2 3.87Å |
| 809 | A | 97.1 | Very high | 94 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -60.2 | -44.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | G805 K806 A807 S812 V813 F923 F927 | G805-A809 PolarHBondContact O-N 2.92Å; K806-A809 PolarHBondContact O-N 3.37Å; A807-A809 VanDerWaalsContact C-N 3.35Å; A809-S812 WeakPolarHBondContact O-CB 3.08Å; A809-S812 PolarHBondContact O-N 3.37Å; A809-V813 WeakPolarHBondContact O-CG2 3.2Å; A809-V813 PolarHBondContact O-N 3.01Å; A809-V813 VanDerWaalsContact O-N 3.07Å; A809-F923 VanDerWaalsContact CA-CE2 3.45Å; A809-F923 HydrophobicContact CB-CD2 3.93Å; A809-F923 HydrophobicContact CB-CE2 3.61Å; A809-F923 HydrophobicContact CB-CZ 3.95Å; A809-F923 VanDerWaalsContact N-CE2 3.34Å; A809-F927 HydrophobicContact CB-CB 4.07Å |
| 810 | K | 95.8 | Very high | 93.2 | Very high | 60 Ų | 60 | 16.3 Ų | 16.3 | 26% | 0.261 | 9% | 0.087 | S | C | . | . | H | α-helix | trans | -60.4 | -51 | 176.2 | -178.2 | 163.9 | -172.5 | 156.4 | 0 | 113.3 | V764 K806 A807 L808 S812 V813 W814 E930 | V764-K810 HydrophobicContact CG1-CB 4.49Å; V764-K810 HydrophobicContact CG1-CD 4.42Å; V764-K810 HydrophobicContact CG1-CG 4.02Å; K806-K810 PolarHBondContact O-N 2.89Å; A807-K810 WeakPolarHBondContact O-CB 3.3Å; A807-K810 PolarHBondContact O-N 3.33Å; L808-K810 VanDerWaalsContact C-N 3.3Å; L808-K810 PolarHBondContact O-N 3.42Å; K810-S812 VanDerWaalsContact C-N 3.27Å; K810-S812 PolarHBondContact O-N 2.99Å; K810-V813 PolarHBondContact O-N 3.49Å; K810-W814 HydrophobicContact CD-CZ2 4.16Å; K810-W814 VanDerWaalsContact CE-CE2 3.47Å; K810-W814 HydrophobicContact CG-CD2 4.32Å; K810-W814 HydrophobicContact CG-CZ2 4.18Å; K810-W814 PolarHBondContact O-N 3.34Å; K810-E930 HydrophobicContact CB-CG 4.33Å; K810-E930 WeakPolarHBondContact CD-OE2 3.12Å; K810-E930 WeakPolarHBondContact CE-OE1 3.44Å; K810-E930 VanDerWaalsContact CG-CD 3.48Å; K810-E930 HydrophobicContact CG-CG 4.11Å; K810-E930 WeakPolarHBondContact CG-OE2 3.37Å; K810-E930 IonicContact NZ-OE1 2.73Å; K810-E930 IonicContact NZ-OE2 2.64Å |
| 811 | L | 97.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -57.4 | -42.4 | 176 | -178.3 | 61.7 | 0 | 0 | 0 | 111.5 | I748 L751 V764 L767 F771 A807 L808 V813 W814 C815 | I748-L811 HydrophobicContact CD1-CD2 3.76Å; L751-L811 HydrophobicContact CD2-CD2 4.26Å; V764-L811 HydrophobicContact CG1-CB 4.11Å; V764-L811 HydrophobicContact CG1-CD1 4.4Å; V764-L811 HydrophobicContact CG2-CB 4.31Å; L767-L811 HydrophobicContact CB-CD1 4.2Å; L767-L811 HydrophobicContact CB-CD2 4.01Å; L767-L811 HydrophobicContact CD1-CD2 3.92Å; F771-L811 HydrophobicContact CD2-CD1 4.44Å; F771-L811 HydrophobicContact CE2-CD2 3.91Å; F771-L811 HydrophobicContact CE2-CG 4.37Å; F771-L811 HydrophobicContact CZ-CD2 4.43Å; A807-L811 PolarHBondContact O-N 3.44Å; L808-L811 PolarHBondContact O-N 2.68Å; L811-V813 PolarHBondContact O-N 2.93Å; L811-W814 PolarHBondContact O-N 3.22Å; L811-C815 WeakPolarHBondContact O-CB 3.47Å; L811-C815 PolarHBondContact O-N 3.01Å; L811-C815 PolarHBondContact O-SG 3.47Å |
| 812 | S | 96.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -61 | -44.8 | 179.7 | -59.5 | 0 | 0 | 0 | 0 | 112.2 | L808 A809 K810 A816 | L808-S812 WeakPolarHBondContact O-CB 3.38Å; L808-S812 PolarHBondContact O-N 3.4Å; L808-S812 PolarHBondContact O-OG 2.76Å; A809-S812 WeakPolarHBondContact O-CB 3.08Å; A809-S812 PolarHBondContact O-N 3.37Å; K810-S812 VanDerWaalsContact C-N 3.27Å; K810-S812 PolarHBondContact O-N 2.99Å; S812-A816 WeakPolarHBondContact O-CB 3.22Å; S812-A816 PolarHBondContact O-N 2.83Å |
| 813 | V | 94.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -65.7 | -44.4 | 176.6 | 174.1 | 0 | 0 | 0 | 0 | 111.1 | A809 K810 L811 C815 A816 L817 F927 E930 I943 | A809-V813 WeakPolarHBondContact O-CG2 3.2Å; A809-V813 PolarHBondContact O-N 3.01Å; A809-V813 VanDerWaalsContact O-N 3.07Å; K810-V813 PolarHBondContact O-N 3.49Å; L811-V813 PolarHBondContact O-N 2.93Å; V813-C815 PolarHBondContact O-N 2.94Å; V813-A816 PolarHBondContact O-N 3.42Å; V813-L817 HydrophobicContact CG1-CD1 3.94Å; V813-L817 HydrophobicContact CG1-CG 4.32Å; V813-L817 WeakPolarHBondContact O-CG 3.43Å; V813-L817 PolarHBondContact O-N 2.89Å; V813-F927 HydrophobicContact CG2-CD1 4.15Å; V813-F927 HydrophobicContact CG2-CD2 3.71Å; V813-F927 HydrophobicContact CG2-CE1 4.08Å; V813-F927 HydrophobicContact CG2-CE2 3.63Å; V813-F927 HydrophobicContact CG2-CG 3.97Å; V813-F927 HydrophobicContact CG2-CZ 3.82Å; V813-E930 HydrophobicContact CB-CB 4.3Å; V813-E930 HydrophobicContact CB-CG 3.89Å; V813-E930 HydrophobicContact CG1-CB 4.45Å; V813-E930 HydrophobicContact CG1-CG 3.95Å; V813-E930 HydrophobicContact CG2-CB 4.11Å; V813-E930 HydrophobicContact CG2-CG 4.26Å; V813-I943 HydrophobicContact CG1-CD1 4.29Å |
| 814 | W | 93 | Very high | 85.8 | Confident | 4 Ų | 4 | 24.9 Ų | 24.9 | 2% | 0.015 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.3 | -42.8 | 179 | -71.9 | 11.4 | 0 | 0 | 0 | 112.4 | M270 Q271 V764 E765 Y768 K810 L811 L817 S818 E930 | M270-W814 HydrophobicContact CB-CZ2 4.49Å; M270-W814 HydrophobicContact CE-CB 4.3Å; M270-W814 HydrophobicContact CE-CD2 4.24Å; M270-W814 HydrophobicContact CE-CG 4.18Å; M270-W814 HydrophobicContact SD-CB 3.88Å; M270-W814 HydrophobicContact SD-CD2 4.26Å; M270-W814 HydrophobicContact SD-CG 3.71Å; Q271-W814 HydrophobicContact CG-CH2 3.53Å; Q271-W814 HydrophobicContact CG-CZ2 3.75Å; Q271-W814 HydrophobicContact CG-CZ3 4.38Å; Q271-W814 VanDerWaalsContact NE2-CZ3 3.29Å; V764-W814 HydrophobicContact CG1-CD2 4.44Å; V764-W814 HydrophobicContact CG1-CE3 3.82Å; V764-W814 HydrophobicContact CG1-CH2 4.32Å; V764-W814 HydrophobicContact CG1-CZ3 3.73Å; E765-W814 HydrophobicContact CG-CH2 4.29Å; E765-W814 HydrophobicContact CG-CZ3 4.2Å; Y768-W814 HydrophobicContact CD2-CB 3.7Å; Y768-W814 HydrophobicContact CD2-CE3 4.18Å; Y768-W814 HydrophobicContact CE2-CB 3.85Å; Y768-W814 HydrophobicContact CG-CE3 4.06Å; K810-W814 HydrophobicContact CD-CZ2 4.16Å; K810-W814 VanDerWaalsContact CE-CE2 3.47Å; K810-W814 HydrophobicContact CG-CD2 4.32Å; K810-W814 HydrophobicContact CG-CZ2 4.18Å; K810-W814 PolarHBondContact O-N 3.34Å; L811-W814 PolarHBondContact O-N 3.22Å; W814-L817 PolarHBondContact O-N 3.36Å; W814-S818 WeakPolarHBondContact O-CB 3.34Å; W814-S818 PolarHBondContact O-N 3.15Å; W814-E930 PolarHBondContact NE1-OE1 3.41Å |
| 815 | C | 93.8 | Very high | 82.9 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.7 | -43.8 | 175.7 | -73.5 | 0 | 0 | 0 | 0 | 112.4 | M775 T779 L782 L811 V813 S818 S819 | M775-C815 HydrophobicContact SD-CB 4.2Å; T779-C815 HydrophobicContact CG2-CB 4.15Å; T779-C815 WeakPolarHBondContact OG1-CB 3.29Å; T779-C815 PolarHBondContact OG1-O 3.11Å; L782-C815 HydrophobicContact CD2-CB 4.48Å; L811-C815 WeakPolarHBondContact O-CB 3.47Å; L811-C815 PolarHBondContact O-N 3.01Å; L811-C815 PolarHBondContact O-SG 3.47Å; V813-C815 PolarHBondContact O-N 2.94Å; C815-S818 PolarHBondContact O-N 3.19Å; C815-S819 WeakPolarHBondContact O-CB 3.28Å; C815-S819 PolarHBondContact O-N 2.7Å; C815-S819 PolarHBondContact O-OG 3.44Å |
| 816 | A | 91.3 | Very high | 80 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.3 | -47.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | L783 S812 V813 S818 S819 Y820 I943 | L783-A816 HydrophobicContact CD1-CB 3.97Å; S812-A816 WeakPolarHBondContact O-CB 3.22Å; S812-A816 PolarHBondContact O-N 2.83Å; V813-A816 PolarHBondContact O-N 3.42Å; A816-S818 PolarHBondContact O-N 3.46Å; A816-S819 PolarHBondContact O-N 3.2Å; A816-Y820 VanDerWaalsContact O-CD2 3.31Å; A816-Y820 WeakPolarHBondContact O-CD2 3.47Å; A816-Y820 PolarHBondContact O-N 3.03Å; A816-Y820 VanDerWaalsContact O-N 3.12Å; A816-I943 HydrophobicContact CB-CD1 3.53Å; A816-I943 HydrophobicContact CB-CG1 4.08Å |
| 817 | L | 88.4 | Confident | 76.9 | Confident | 7 Ų | 7 | 37.5 Ų | 37.5 | 4% | 0.037 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.9 | -44.6 | 179.6 | -72.1 | 173.9 | 0 | 0 | 0 | 112.4 | M266 M270 V813 W814 S819 Y820 S821 C934 I943 | M266-L817 HydrophobicContact SD-CB 4.49Å; M270-L817 HydrophobicContact SD-CD1 4.34Å; V813-L817 HydrophobicContact CG1-CD1 3.94Å; V813-L817 HydrophobicContact CG1-CG 4.32Å; V813-L817 WeakPolarHBondContact O-CG 3.43Å; V813-L817 PolarHBondContact O-N 2.89Å; W814-L817 PolarHBondContact O-N 3.36Å; L817-S819 VanDerWaalsContact C-N 3.33Å; L817-S819 PolarHBondContact O-N 3.32Å; L817-Y820 PolarHBondContact O-N 3.05Å; L817-S821 PolarHBondContact O-N 3.43Å; L817-S821 VanDerWaalsContact O-N 3.16Å; L817-S821 PolarHBondContact O-OG 2.8Å; L817-C934 HydrophobicContact CD1-CB 3.57Å; L817-I943 HydrophobicContact CD2-CD1 3.67Å; L817-I943 HydrophobicContact CD2-CG1 4.31Å; L817-I943 HydrophobicContact CG-CD1 3.72Å |
| 818 | S | 87.6 | Confident | 73.9 | Confident | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.007 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.2 | -35.6 | 179.8 | -174.9 | 0 | 0 | 0 | 0 | 112.7 | Q263 Y768 W814 C815 A816 S821 S822 | Q263-S818 VanDerWaalsContact CD-OG 3.29Å; Q263-S818 PolarHBondContact NE2-OG 3.33Å; Q263-S818 PolarHBondContact OE1-OG 3.02Å; Y768-S818 WeakPolarHBondContact OH-CB 3.33Å; Y768-S818 PolarHBondContact OH-OG 3.03Å; W814-S818 WeakPolarHBondContact O-CB 3.34Å; W814-S818 PolarHBondContact O-N 3.15Å; C815-S818 PolarHBondContact O-N 3.19Å; A816-S818 PolarHBondContact O-N 3.46Å; S818-S821 PolarHBondContact O-OG 3.5Å; S818-S822 PolarHBondContact O-N 3.23Å; S818-S822 PolarHBondContact O-OG 3.05Å |
| 819 | S | 85.6 | Confident | 70.9 | Confident | 3 Ų | 3 | 46.2 Ų | 46.2 | 2% | 0.021 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.1 | -41.9 | 174.6 | -64.7 | 0 | 0 | 0 | 0 | 111.5 | T779 C815 A816 L817 S821 S822 H823 | T779-S819 WeakPolarHBondContact CB-OG 3.48Å; T779-S819 PolarHBondContact OG1-OG 3.43Å; C815-S819 WeakPolarHBondContact O-CB 3.28Å; C815-S819 PolarHBondContact O-N 2.7Å; C815-S819 PolarHBondContact O-OG 3.44Å; A816-S819 PolarHBondContact O-N 3.2Å; L817-S819 VanDerWaalsContact C-N 3.33Å; L817-S819 PolarHBondContact O-N 3.32Å; S819-S821 PolarHBondContact O-N 3.04Å; S819-S822 PolarHBondContact O-N 3.15Å; S819-H823 PolarHBondContact O-CD2 3.1Å; S819-H823 VanDerWaalsContact O-CD2 3.31Å; S819-H823 PolarHBondContact O-N 3.29Å |
| 820 | Y | 76.9 | Confident | 68.1 | Low | 21 Ų | 21 | 48.8 Ų | 48.8 | 8% | 0.082 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.8 | -41.8 | 175.2 | -89.7 | -67.1 | 0 | 0 | 0 | 114 | A816 L817 S822 H823 L897 N898 L901 S942 I943 F946 | A816-Y820 VanDerWaalsContact O-CD2 3.31Å; A816-Y820 WeakPolarHBondContact O-CD2 3.47Å; A816-Y820 PolarHBondContact O-N 3.03Å; A816-Y820 VanDerWaalsContact O-N 3.12Å; L817-Y820 PolarHBondContact O-N 3.05Å; Y820-S822 PolarHBondContact O-N 2.86Å; Y820-H823 PolarHBondContact O-N 3.47Å; Y820-L897 HydrophobicContact CD1-CD2 4.4Å; Y820-L897 HydrophobicContact CD2-CD2 3.85Å; Y820-L897 HydrophobicContact CE1-CD2 4.31Å; Y820-L897 HydrophobicContact CE2-CD2 3.78Å; Y820-L897 HydrophobicContact CE2-CG 4.2Å; Y820-L897 HydrophobicContact CG-CD2 4.15Å; Y820-N898 WeakPolarHBondContact CE1-OD1 3.39Å; Y820-N898 PolarHBondContact OH-OD1 3.38Å; Y820-L901 HydrophobicContact CE2-CD1 3.41Å; Y820-L901 VanDerWaalsContact CE2-CD1 3.41Å; Y820-L901 VanDerWaalsContact OH-CD1 3.29Å; Y820-L901 WeakPolarHBondContact OH-CD1 3.34Å; Y820-S942 WeakPolarHBondContact CE2-O 3.48Å; Y820-S942 PolarHBondContact OH-O 3.43Å; Y820-I943 HydrophobicContact CD2-CG1 4.35Å; Y820-I943 HydrophobicContact CE2-CG1 4.19Å; Y820-F946 WeakPolarHBondContact OH-CE2 3.45Å |
| 821 | S | 69.7 | Low | 65.7 | Low | 37 Ų | 37 | 49 Ų | 49 | 26% | 0.259 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -65.7 | -29.4 | 178.6 | 52.3 | 0 | 0 | 0 | 0 | 112.7 | M266 L817 S818 S819 | M266-S821 WeakPolarHBondContact CE-OG 3.32Å; L817-S821 PolarHBondContact O-N 3.43Å; L817-S821 VanDerWaalsContact O-N 3.16Å; L817-S821 PolarHBondContact O-OG 2.8Å; S818-S821 PolarHBondContact O-OG 3.5Å; S819-S821 PolarHBondContact O-N 3.04Å |
| 822 | S | 59.9 | Low | 63.2 | Low | 64 Ų | 64 | 52.1 Ų | 52.1 | 45% | 0.448 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -78.9 | -21.7 | -178.6 | -56.8 | 0 | 0 | 0 | 0 | 113.4 | S818 S819 Y820 | S818-S822 PolarHBondContact O-N 3.23Å; S818-S822 PolarHBondContact O-OG 3.05Å; S819-S822 PolarHBondContact O-N 3.15Å; Y820-S822 PolarHBondContact O-N 2.86Å |
| 823 | H | 51.9 | Low | 60.7 | Low | 65 Ų | 65 | 58 Ų | 58 | 30% | 0.301 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -79.5 | -19.2 | -176.1 | -98.3 | -107.6 | 0 | 0 | 0 | 114.7 | Q776 S819 Y820 D895 | Q776-H823 PolarHBondContact NE2-CE1 3.07Å; Q776-H823 PolarHBondContact NE2-NE2 2.79Å; S819-H823 PolarHBondContact O-CD2 3.1Å; S819-H823 VanDerWaalsContact O-CD2 3.31Å; S819-H823 PolarHBondContact O-N 3.29Å; Y820-H823 PolarHBondContact O-N 3.47Å; H823-D895 IonicContact CE1-OD1 3.81Å; H823-D895 IonicContact CE1-OD2 3.24Å; H823-D895 PolarHBondContact CE1-OD2 2.68Å; H823-D895 VanDerWaalsContact CE1-OD2 3.24Å; H823-D895 IonicContact CG-OD2 2.74Å; H823-D895 IonicContact ND1-OD2 2.79Å; H823-D895 PolarHBondContact ND1-OD2 3.18Å |
| 824 | H | 38.4 | Very low | 57.9 | Low | 152 Ų | 152 | 67.3 Ų | 67.3 | 70% | 0.704 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -90.7 | -5.1 | -164.8 | -90.1 | -60.7 | 0 | 0 | 0 | 116.5 | ||
| 825 | K | 36.4 | Very low | 55.6 | Low | 169 Ų | 169 | 71.1 Ų | 71.1 | 74% | 0.735 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -149.2 | 99.1 | -176 | -64 | -175.9 | -175.6 | 172.3 | 0 | 113.8 | ||
| 826 | G | 33.8 | Very low | 52.8 | Low | 66 Ų | 66 | 77.5 Ų | 77.5 | 68% | 0.68 | 40% | 0.397 | S | S | * | . | S | Bend | trans | 99 | 163.8 | 159.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 827 | P | 31.1 | Very low | 50.3 | Low | 131 Ų | 131 | 86.7 Ų | 86.7 | 85% | 0.851 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -56.6 | 143.9 | 174.8 | 25.2 | -31.9 | 0 | 0 | 0 | 109.6 | S829 | P827-S829 PolarHBondContact O-N 3.11Å; P827-S829 VanDerWaalsContact O-N 3.15Å |
| 828 | F | 34.8 | Very low | 47.9 | Very low | 147 Ų | 147 | 92.2 Ų | 92.2 | 65% | 0.645 | 46% | 0.457 | S | S | * | . | trans | -36.3 | 118.8 | -176.3 | -63.8 | -77.8 | 0 | 0 | 0 | 111.9 | ||||
| 829 | S | 36 | Very low | 45.6 | Very low | 43 Ų | 43 | 97.3 Ų | 97.3 | 30% | 0.301 | 48% | 0.484 | S | S | . | . | trans | -50.9 | 147.9 | 176 | -179.1 | 0 | 0 | 0 | 0 | 110 | P827 R831 Q832 | P827-S829 PolarHBondContact O-N 3.11Å; P827-S829 VanDerWaalsContact O-N 3.15Å; S829-R831 PolarHBondContact O-N 2.96Å; S829-Q832 PolarHBondContact O-N 2.97Å | ||
| 830 | A | 37.4 | Very low | 43.7 | Very low | 54 Ų | 54 | 99.1 Ų | 99.1 | 45% | 0.446 | 49% | 0.493 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | -10.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q832 | A830-Q832 PolarHBondContact O-N 2.89Š|
| 831 | R | 44.9 | Very low | 42 | Very low | 64 Ų | 64 | 105.4 Ų | 105.4 | 24% | 0.242 | 52% | 0.523 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -25.1 | 164 | -72.7 | 179.9 | 173.1 | 164.1 | 2 | 114 | E248 P259 S829 | E248-R831 IonicContact OE1-CZ 3.7Å; E248-R831 IonicContact OE1-NE 2.68Å; E248-R831 PolarHBondContact OE1-NE 2.76Å; E248-R831 IonicContact OE1-NH2 2.71Å; E248-R831 PolarHBondContact OE1-NH2 3.24Å; P259-R831 VanDerWaalsContact C-NH2 3.3Å; P259-R831 PolarHBondContact O-NH2 3.39Å; S829-R831 PolarHBondContact O-N 2.96Å |
| 832 | Q | 46.3 | Very low | 40.8 | Very low | 66 Ų | 66 | 108.6 Ų | 108.6 | 31% | 0.308 | 54% | 0.537 | S | S | . | . | S | Bend | trans | -107.7 | 80 | 178.7 | -62.2 | -172.5 | -4.4 | 0 | 0 | 108.6 | S829 A830 K834 | S829-Q832 PolarHBondContact O-N 2.97Å; A830-Q832 PolarHBondContact O-N 2.89Å; Q832-K834 PolarHBondContact O-N 3.15Å |
| 833 | R | 43.3 | Very low | 40 | Very low | 125 Ų | 125 | 107.8 Ų | 107.8 | 47% | 0.472 | 53% | 0.525 | S | S | . | . | trans | -45.9 | 120.8 | 154.1 | -74.3 | -177.8 | -179.1 | -178.5 | -1.5 | 105 | E535 E732 R835 | E535-R833 IonicContact OE2-NH1 2.8Å; E732-R833 IonicContact OE1-CZ 3.59Å; E732-R833 IonicContact OE1-NH1 2.67Å; E732-R833 PolarHBondContact OE1-NH1 2.86Å; R833-R835 PolarHBondContact O-N 2.71Å | ||
| 834 | K | 35.9 | Very low | 39.4 | Very low | 194 Ų | 194 | 108.7 Ų | 108.7 | 84% | 0.843 | 53% | 0.532 | S | S | * | . | trans | -61.6 | 80.2 | -168.3 | -146.7 | 180 | -168.7 | 178.6 | 0 | 109.3 | Q832 Q836 | Q832-K834 PolarHBondContact O-N 3.15Å; K834-Q836 PolarHBondContact O-N 3.44Å | ||
| 835 | R | 44.9 | Very low | 39.5 | Very low | 84 Ų | 84 | 104.8 Ų | 104.8 | 32% | 0.317 | 52% | 0.522 | S | S | . | . | trans | -63.1 | 135.7 | 174.9 | -75.2 | 179.2 | 174.7 | 161.4 | 0.2 | 106.5 | L735 N736 D774 R833 R837 | L735-R835 VanDerWaalsContact CD2-NH1 3.34Å; N736-R835 PolarHBondContact OD1-NE 2.85Å; N736-R835 PolarHBondContact OD1-NH2 3.38Å; D774-R835 IonicContact OD2-CZ 2.85Å; D774-R835 IonicContact OD2-NH1 3.69Å; D774-R835 PolarHBondContact OD2-NH1 3.16Å; R833-R835 PolarHBondContact O-N 2.71Å; R835-R837 PolarHBondContact O-N 2.88Å; R835-R837 VanDerWaalsContact O-N 3.08Å | ||
| 836 | Q | 35.2 | Very low | 39.7 | Very low | 135 Ų | 135 | 101.4 Ų | 101.4 | 63% | 0.631 | 51% | 0.511 | S | S | * | . | trans | -50.3 | 121.9 | 178.4 | -122.2 | 165.8 | -34.5 | 0 | 0 | 108.2 | K834 E838 | K834-Q836 PolarHBondContact O-N 3.44Å; Q836-E838 HydrophobicContact CB-CG 4.3Å; Q836-E838 HydrophobicContact CG-CG 4.23Å; Q836-E838 PolarHBondContact NE2-OE1 3.46Å; Q836-E838 PolarHBondContact O-N 3.41Å | ||
| 837 | R | 38.4 | Very low | 40 | Very low | 192 Ų | 192 | 103.9 Ų | 103.9 | 73% | 0.725 | 50% | 0.503 | S | S | * | . | G | 310 helix | trans | -71.6 | 17.4 | -173.1 | -154 | -174.5 | -176.5 | 178.5 | -0.4 | 112.5 | R835 D839 I840 | R835-R837 PolarHBondContact O-N 2.88Å; R835-R837 VanDerWaalsContact O-N 3.08Å; R837-D839 VanDerWaalsContact C-N 3.34Å; R837-D839 PolarHBondContact O-N 3.36Å; R837-I840 HydrophobicContact CG-CB 4.36Å; R837-I840 HydrophobicContact CG-CD1 3.52Å; R837-I840 HydrophobicContact CG-CG1 4.4Å; R837-I840 PolarHBondContact O-N 3.43Å |
| 838 | E | 37.2 | Very low | 40.2 | Very low | 124 Ų | 124 | 102.4 Ų | 102.4 | 58% | 0.579 | 49% | 0.494 | S | S | * | . | G | 310 helix | trans | -69.8 | -31.2 | -168.6 | -69.6 | 177.9 | -175.4 | 0 | 0 | 111.2 | Q836 I840 E841 | Q836-E838 HydrophobicContact CB-CG 4.3Å; Q836-E838 HydrophobicContact CG-CG 4.23Å; Q836-E838 PolarHBondContact NE2-OE1 3.46Å; Q836-E838 PolarHBondContact O-N 3.41Å; E838-I840 VanDerWaalsContact C-N 3.32Å; E838-I840 PolarHBondContact O-N 3.11Å; E838-E841 PolarHBondContact O-N 3.14Å |
| 839 | D | 40.7 | Very low | 40.3 | Very low | 107 Ų | 107 | 100.6 Ų | 100.6 | 57% | 0.572 | 49% | 0.49 | S | S | * | . | G | 310 helix | trans | -77.5 | -8.3 | 178.8 | -69.9 | -12.1 | 0 | 0 | 0 | 114.8 | R837 | R837-D839 VanDerWaalsContact C-N 3.34Å; R837-D839 PolarHBondContact O-N 3.36Å |
| 840 | I | 44.1 | Very low | 40.2 | Very low | 42 Ų | 42 | 104.4 Ų | 104.4 | 22% | 0.215 | 51% | 0.507 | C | S | . | . | G | 310 helix | trans | -78.7 | -26.4 | 176.5 | -74.1 | 163.1 | 0 | 0 | 0 | 111.4 | R837 E838 D842 Y843 | R837-I840 HydrophobicContact CG-CB 4.36Å; R837-I840 HydrophobicContact CG-CD1 3.52Å; R837-I840 HydrophobicContact CG-CG1 4.4Å; R837-I840 PolarHBondContact O-N 3.43Å; E838-I840 VanDerWaalsContact C-N 3.32Å; E838-I840 PolarHBondContact O-N 3.11Å; I840-D842 PolarHBondContact O-N 3.37Å; I840-Y843 PolarHBondContact O-N 3.25Å |
| 841 | E | 41.2 | Very low | 40.1 | Very low | 153 Ų | 153 | 108.5 Ų | 108.5 | 72% | 0.715 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -66.1 | -27.7 | -178.4 | -65.3 | -168.1 | 169 | 0 | 0 | 111.8 | E838 Y843 N844 | E838-E841 PolarHBondContact O-N 3.14Å; E841-Y843 PolarHBondContact O-N 3.11Å; E841-N844 PolarHBondContact O-N 3.16Å |
| 842 | D | 44.7 | Very low | 39.6 | Very low | 103 Ų | 103 | 110.5 Ų | 110.5 | 55% | 0.551 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -75.2 | -19.7 | 176.5 | -95.7 | -16.3 | 0 | 0 | 0 | 114.6 | I840 N844 S845 L846 | I840-D842 PolarHBondContact O-N 3.37Å; D842-N844 VanDerWaalsContact C-N 3.28Å; D842-N844 PolarHBondContact O-N 3.32Å; D842-S845 VanDerWaalsContact CA-OG 3.29Å; D842-S845 WeakPolarHBondContact CA-OG 3.45Å; D842-S845 PolarHBondContact O-N 3.41Å; D842-S845 PolarHBondContact O-OG 2.94Å; D842-S845 PolarHBondContact OD1-OG 3.28Å; D842-S845 VanDerWaalsContact OD1-OG 3.06Å; D842-L846 WeakPolarHBondContact O-CG 3.46Å; D842-L846 PolarHBondContact O-N 3.33Å |
| 843 | Y | 43.1 | Very low | 39 | Very low | 47 Ų | 47 | 115.5 Ų | 115.5 | 18% | 0.184 | 56% | 0.564 | C | S | . | * | H | α-helix | trans | -71.5 | -26.3 | 172.6 | -87.6 | -78.1 | 0 | 0 | 0 | 112.6 | L780 T781 T785 I840 E841 S845 | L780-Y843 PolarHBondContact O-OH 3.49Å; T781-Y843 VanDerWaalsContact CA-OH 3.28Å; T781-Y843 WeakPolarHBondContact CA-OH 3.28Å; T785-Y843 PolarHBondContact OG1-OH 2.88Å; I840-Y843 PolarHBondContact O-N 3.25Å; E841-Y843 PolarHBondContact O-N 3.11Å; Y843-S845 VanDerWaalsContact C-N 3.34Å |
| 844 | N | 40.6 | Very low | 38.4 | Very low | 84 Ų | 84 | 114.8 Ų | 114.8 | 45% | 0.449 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -74.1 | -28.1 | 170.9 | -70.5 | -35.4 | 0 | 0 | 0 | 111.7 | E841 D842 R899 | E841-N844 PolarHBondContact O-N 3.16Å; D842-N844 VanDerWaalsContact C-N 3.28Å; D842-N844 PolarHBondContact O-N 3.32Å; N844-R899 PolarHBondContact OD1-NH1 2.66Å |
| 845 | S | 39.4 | Very low | 38.2 | Very low | 71 Ų | 71 | 107.8 Ų | 107.8 | 50% | 0.497 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -84.1 | -31.9 | -179.4 | 72.8 | 0 | 0 | 0 | 0 | 113.1 | D842 Y843 F847 | D842-S845 VanDerWaalsContact CA-OG 3.29Å; D842-S845 WeakPolarHBondContact CA-OG 3.45Å; D842-S845 PolarHBondContact O-N 3.41Å; D842-S845 PolarHBondContact O-OG 2.94Å; D842-S845 PolarHBondContact OD1-OG 3.28Å; D842-S845 VanDerWaalsContact OD1-OG 3.06Å; Y843-S845 VanDerWaalsContact C-N 3.34Å; S845-F847 VanDerWaalsContact C-N 3.29Å; S845-F847 PolarHBondContact O-N 3.27Å |
| 846 | L | 41 | Very low | 37.7 | Very low | 97 Ų | 97 | 111.8 Ų | 111.8 | 51% | 0.508 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -67.2 | -26.9 | 177.5 | -78.5 | 165.3 | 0 | 0 | 0 | 113.4 | D842 | D842-L846 WeakPolarHBondContact O-CG 3.46Å; D842-L846 PolarHBondContact O-N 3.33Å |
| 847 | F | 40.5 | Very low | 37.7 | Very low | 118 Ų | 118 | 111 Ų | 111 | 52% | 0.518 | 57% | 0.571 | S | S | . | * | S | Bend | trans | -145.6 | 85.5 | 175.4 | -60.6 | -77.9 | 0 | 0 | 0 | 110.6 | S845 L849 | S845-F847 VanDerWaalsContact C-N 3.29Å; S845-F847 PolarHBondContact O-N 3.27Å; F847-L849 PolarHBondContact O-N 3.02Å |
| 848 | P | 34 | Very low | 37.5 | Very low | 101 Ų | 101 | 108.1 Ų | 108.1 | 66% | 0.656 | 57% | 0.567 | S | S | * | * | trans | -69 | 94.7 | 179 | 27.1 | -31.3 | 0 | 0 | 0 | 109.6 | D850 | P848-D850 VanDerWaalsContact C-N 3.32Å; P848-D850 PolarHBondContact O-N 3.41Å | ||
| 849 | L | 38.6 | Very low | 37.4 | Very low | 109 Ų | 109 | 111.5 Ų | 111.5 | 57% | 0.571 | 58% | 0.575 | S | S | * | * | trans | -82.8 | 92.2 | 149.4 | -69.5 | 171.4 | 0 | 0 | 0 | 104.7 | F847 D851 | F847-L849 PolarHBondContact O-N 3.02Å; L849-D851 PolarHBondContact O-N 3.35Å | ||
| 850 | D | 33.9 | Very low | 37.1 | Very low | 123 Ų | 123 | 112.4 Ų | 112.4 | 66% | 0.658 | 58% | 0.579 | S | S | * | * | trans | -46 | 113.2 | 174.3 | -110.7 | -23.6 | 0 | 0 | 0 | 109 | P848 T852 | P848-D850 VanDerWaalsContact C-N 3.32Å; P848-D850 PolarHBondContact O-N 3.41Å; D850-T852 PolarHBondContact O-N 3.41Å | ||
| 851 | D | 34.4 | Very low | 36.6 | Very low | 140 Ų | 140 | 115 Ų | 115 | 75% | 0.749 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -70.1 | 8.5 | 179 | -97.7 | -32.5 | 0 | 0 | 0 | 112 | L849 | L849-D851 PolarHBondContact O-N 3.35Š|
| 852 | T | 34.7 | Very low | 36.1 | Very low | 106 Ų | 106 | 111.9 Ų | 111.9 | 65% | 0.65 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -127.9 | 103.9 | 174.1 | 58.3 | 0 | 0 | 0 | 0 | 110.8 | D850 | D850-T852 PolarHBondContact O-N 3.41Š|
| 853 | Q | 33.4 | Very low | 35.3 | Very low | 170 Ų | 170 | 110.7 Ų | 110.7 | 79% | 0.794 | 59% | 0.587 | S | S | * | * | S | Bend | trans | 90.2 | 132.2 | 179 | -55.7 | -161 | -3 | 0 | 0 | 115.9 | S855 | Q853-S855 PolarHBondContact O-N 3.48Š|
| 854 | P | 30.1 | Very low | 34.6 | Very low | 110 Ų | 110 | 116.2 Ų | 116.2 | 71% | 0.714 | 62% | 0.62 | S | S | * | * | trans | -57.7 | 114.5 | 175.1 | 24.4 | -31.5 | 0 | 0 | 0 | 108.8 | ||||
| 855 | S | 33.2 | Very low | 34.2 | Very low | 47 Ų | 47 | 121.1 Ų | 121.1 | 33% | 0.329 | 64% | 0.64 | S | S | . | * | trans | -57.3 | 146.2 | -171.2 | 57.5 | 0 | 0 | 0 | 0 | 112 | Q853 L857 M858 | Q853-S855 PolarHBondContact O-N 3.48Å; S855-L857 PolarHBondContact O-N 2.96Å; S855-M858 WeakPolarHBondContact O-CB 3.46Å; S855-M858 PolarHBondContact O-N 3.28Å | ||
| 856 | K | 33.8 | Very low | 34 | Very low | 168 Ų | 168 | 125.8 Ų | 125.8 | 73% | 0.73 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -51.4 | -19 | 175.7 | -76.8 | 172.4 | 175.9 | 171.7 | 0 | 113.7 | R859 L860 | K856-R859 PolarHBondContact O-N 3.14Å; K856-L860 WeakPolarHBondContact O-CG 3.39Å; K856-L860 PolarHBondContact O-N 3.39Å |
| 857 | L | 34.1 | Very low | 33.3 | Very low | 119 Ų | 119 | 129.8 Ų | 129.8 | 62% | 0.623 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -64.1 | -37.7 | 172.7 | -147.6 | 92.1 | 0 | 0 | 0 | 112.4 | S855 R859 L860 L861 | S855-L857 PolarHBondContact O-N 2.96Å; L857-R859 VanDerWaalsContact C-N 3.27Å; L857-R859 PolarHBondContact O-N 3.31Å; L857-L860 PolarHBondContact O-N 3.48Å; L857-L861 HydrophobicContact CD2-CD1 4.49Å; L857-L861 WeakPolarHBondContact O-CB 3.42Å; L857-L861 WeakPolarHBondContact O-CG 3.07Å; L857-L861 PolarHBondContact O-N 3.36Å |
| 858 | M | 34.2 | Very low | 33.1 | Very low | 131 Ų | 131 | 129.9 Ų | 129.9 | 65% | 0.645 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -67.7 | -26.5 | 172.6 | -103.7 | -154.4 | -118.1 | 0 | 0 | 112.6 | S855 S862 | S855-M858 WeakPolarHBondContact O-CB 3.46Å; S855-M858 PolarHBondContact O-N 3.28Å; M858-S862 WeakPolarHBondContact O-CB 3.04Å; M858-S862 PolarHBondContact O-OG 2.91Å |
| 859 | R | 36 | Very low | 32.9 | Very low | 196 Ų | 196 | 131.4 Ų | 131.4 | 74% | 0.74 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -83.5 | -29.9 | 177.3 | -164.6 | -179.6 | -94.4 | 159.9 | -7.3 | 112.2 | K856 L857 S862 | K856-R859 PolarHBondContact O-N 3.14Å; L857-R859 VanDerWaalsContact C-N 3.27Å; L857-R859 PolarHBondContact O-N 3.31Å; R859-S862 WeakPolarHBondContact CA-OG 3.48Å; R859-S862 PolarHBondContact O-OG 2.99Å |
| 860 | L | 33.3 | Very low | 32.4 | Very low | 126 Ų | 126 | 130 Ų | 130 | 66% | 0.66 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -80.8 | -26.2 | 176.2 | -76.2 | 164.6 | 0 | 0 | 0 | 113.3 | K856 L857 S862 | K856-L860 WeakPolarHBondContact O-CG 3.39Å; K856-L860 PolarHBondContact O-N 3.39Å; L857-L860 PolarHBondContact O-N 3.48Å; L860-S862 VanDerWaalsContact C-N 3.29Å |
| 861 | L | 35.1 | Very low | 32.4 | Very low | 96 Ų | 96 | 133.2 Ų | 133.2 | 50% | 0.503 | 72% | 0.716 | S | S | . | * | S | Bend | trans | -82.4 | -4.6 | 172.3 | -68.4 | 171 | 0 | 0 | 0 | 113.4 | L857 | L857-L861 HydrophobicContact CD2-CD1 4.49Å; L857-L861 WeakPolarHBondContact O-CB 3.42Å; L857-L861 WeakPolarHBondContact O-CG 3.07Å; L857-L861 PolarHBondContact O-N 3.36Å |
| 862 | S | 30.4 | Very low | 31.8 | Very low | 88 Ų | 88 | 131.7 Ų | 131.7 | 62% | 0.615 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -114.3 | -0.1 | -178.7 | 55.2 | 0 | 0 | 0 | 0 | 114.7 | M858 R859 L860 | M858-S862 WeakPolarHBondContact O-CB 3.04Å; M858-S862 PolarHBondContact O-OG 2.91Å; R859-S862 WeakPolarHBondContact CA-OG 3.48Å; R859-S862 PolarHBondContact O-OG 2.99Å; L860-S862 VanDerWaalsContact C-N 3.29Å |
| 863 | S | 27 | Very low | 31.4 | Very low | 77 Ų | 77 | 131.6 Ų | 131.6 | 54% | 0.538 | 72% | 0.719 | S | S | . | * | trans | -95.1 | 103.9 | -179.8 | 60.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 864 | N | 29.7 | Very low | 31.3 | Very low | 163 Ų | 163 | 129.9 Ų | 129.9 | 87% | 0.872 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -126.6 | 106.1 | 139.8 | -105.4 | 2.4 | 0 | 0 | 0 | 107.8 | ||
| 865 | E | 32.3 | Very low | 31.2 | Very low | 188 Ų | 188 | 127.2 Ų | 127.2 | 88% | 0.879 | 72% | 0.716 | S | S | * | * | trans | 41.2 | 124 | 162.2 | -53 | -151.9 | 153.1 | 0 | 0 | 121.6 | E867 | E865-E867 PolarHBondContact O-N 2.74Š| ||
| 866 | D | 34.1 | Very low | 30.9 | Very low | 169 Ų | 169 | 132.2 Ų | 132.2 | 90% | 0.904 | 74% | 0.739 | S | S | * | * | trans | -61.3 | 117.6 | 164.7 | -73.8 | -55.4 | 0 | 0 | 0 | 111.7 | ||||
| 867 | E | 26.4 | Very low | 30.9 | Very low | 181 Ų | 181 | 135.8 Ų | 135.8 | 85% | 0.846 | 75% | 0.748 | S | S | * | * | trans | -143.1 | 141.6 | 144.9 | -94.5 | -132.2 | 159.3 | 0 | 0 | 110.4 | E865 | E865-E867 PolarHBondContact O-N 2.74Š| ||
| 868 | P | 37.1 | Very low | 30.9 | Very low | 120 Ų | 120 | 134.5 Ų | 134.5 | 78% | 0.779 | 75% | 0.749 | S | S | * | * | trans | -102.2 | 91.5 | -165.2 | 37 | -29.6 | 0 | 0 | 0 | 112.8 | ||||
| 869 | V | 29.1 | Very low | 31.2 | Very low | 132 Ų | 132 | 134.1 Ų | 134.1 | 80% | 0.8 | 75% | 0.747 | S | S | * | * | trans | -149.7 | 127.1 | 165.1 | 177.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 870 | A | 28.9 | Very low | 31 | Very low | 80 Ų | 80 | 128.6 Ų | 128.6 | 66% | 0.661 | 74% | 0.738 | S | S | * | * | trans | 43.1 | 128.1 | 151 | 0 | 0 | 0 | 0 | 0 | 122.2 | S872 | A870-S872 PolarHBondContact O-N 3.07Š| ||
| 871 | L | 32.6 | Very low | 31.3 | Very low | 190 Ų | 190 | 126.1 Ų | 126.1 | 100% | 0.995 | 73% | 0.731 | S | S | * | * | trans | -20 | 106.8 | 156.6 | -70.6 | 153.7 | 0 | 0 | 0 | 114.4 | ||||
| 872 | S | 22.1 | Very low | 31.5 | Very low | 108 Ų | 108 | 125 Ų | 125 | 76% | 0.755 | 73% | 0.732 | S | S | * | * | trans | -120 | 138.5 | 165.9 | 40.7 | 0 | 0 | 0 | 0 | 110.8 | A870 | A870-S872 PolarHBondContact O-N 3.07Š| ||
| 873 | S | 26.6 | Very low | 32.2 | Very low | 104 Ų | 104 | 122.2 Ų | 122.2 | 73% | 0.727 | 71% | 0.71 | S | S | * | * | trans | -57.4 | 165 | -175.8 | -70.8 | 0 | 0 | 0 | 0 | 114.4 | G875 | S873-G875 PolarHBondContact O-N 3.44Š| ||
| 874 | P | 30.1 | Very low | 33 | Very low | 134 Ų | 134 | 119.5 Ų | 119.5 | 87% | 0.87 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.2 | 12.7 | -170.1 | -18.5 | 31.4 | 0 | 0 | 0 | 117.6 | ||
| 875 | G | 28.6 | Very low | 33.5 | Very low | 54 Ų | 54 | 115.8 Ų | 115.8 | 56% | 0.557 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | -22.2 | -168.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | S873 | S873-G875 PolarHBondContact O-N 3.44Š|
| 876 | D | 27.2 | Very low | 33.9 | Very low | 153 Ų | 153 | 110.2 Ų | 110.2 | 82% | 0.818 | 66% | 0.657 | S | S | * | * | trans | -117.6 | 26.7 | -160.4 | -83.3 | -33.1 | 0 | 0 | 0 | 116.3 | S878 | D876-S878 PolarHBondContact O-N 3.4Š| ||
| 877 | R | 34.4 | Very low | 34.7 | Very low | 243 Ų | 243 | 103.2 Ų | 103.2 | 92% | 0.917 | 62% | 0.619 | S | S | * | * | trans | -72.8 | 115.6 | 172.7 | -72 | -171.6 | -179.9 | -179.4 | 0.6 | 111.3 | ||||
| 878 | S | 33.3 | Very low | 35.8 | Very low | 92 Ų | 92 | 97.8 Ų | 97.8 | 64% | 0.643 | 60% | 0.595 | S | S | * | * | trans | -63.9 | 146.3 | 172.1 | 110.5 | 0 | 0 | 0 | 0 | 111.4 | D876 S880 | D876-S878 PolarHBondContact O-N 3.4Å; S878-S880 PolarHBondContact O-N 2.92Å; S878-S880 PolarHBondContact O-OG 3.43Å | ||
| 879 | M | 40.9 | Very low | 36.3 | Very low | 123 Ų | 123 | 100 Ų | 100 | 61% | 0.606 | 60% | 0.595 | S | S | * | * | trans | -71.5 | 61.7 | 178.8 | -71.3 | -77.7 | -68.5 | 0 | 0 | 112 | L977 V981 | M879-L977 HydrophobicContact SD-CD1 3.75Å; M879-V981 HydrophobicContact CE-CG2 3.91Å | ||
| 880 | S | 32.5 | Very low | 37.4 | Very low | 80 Ų | 80 | 99.3 Ų | 99.3 | 56% | 0.559 | 59% | 0.591 | S | S | * | * | trans | -92.1 | 112 | 177.4 | 46.6 | 0 | 0 | 0 | 0 | 111.5 | S878 S882 | S878-S880 PolarHBondContact O-N 2.92Å; S878-S880 PolarHBondContact O-OG 3.43Å; S880-S882 PolarHBondContact O-N 3.26Å | ||
| 881 | S | 38.7 | Very low | 39.1 | Very low | 73 Ų | 73 | 96.4 Ų | 96.4 | 51% | 0.51 | 57% | 0.565 | S | S | . | * | S | Bend | trans | 11.7 | 88 | 152.2 | 58 | 0 | 0 | 0 | 0 | 118 | ||
| 882 | S | 40.2 | Very low | 40.8 | Very low | 74 Ų | 74 | 92.1 Ų | 92.1 | 52% | 0.517 | 54% | 0.544 | S | S | . | . | S | Bend | trans | -179.5 | 153 | 149.4 | 32.4 | 0 | 0 | 0 | 0 | 109 | S880 S884 | S880-S882 PolarHBondContact O-N 3.26Å; S882-S884 PolarHBondContact O-N 2.69Å |
| 883 | L | 44.8 | Very low | 43.4 | Very low | 29 Ų | 29 | 89.8 Ų | 89.8 | 15% | 0.152 | 52% | 0.521 | C | S | . | . | trans | -44.9 | 126.5 | 157.7 | -70.5 | 162.2 | 0 | 0 | 0 | 107 | L888 P948 | L883-L888 HydrophobicContact CB-CD1 3.96Å; L883-L888 HydrophobicContact CB-CG 4.14Å; L883-L888 HydrophobicContact CD1-CD1 4.44Å; L883-L888 HydrophobicContact CD1-CD2 4.1Å; L883-L888 HydrophobicContact CD1-CG 4.47Å; L883-P948 HydrophobicContact CD2-CG 4.37Å | ||
| 884 | S | 43.3 | Very low | 45.5 | Very low | 19 Ų | 19 | 95 Ų | 95 | 13% | 0.133 | 53% | 0.525 | C | S | . | . | trans | -60.3 | 139.2 | -176.5 | 67.2 | 0 | 0 | 0 | 0 | 108.2 | S882 S886 Q887 L888 | S882-S884 PolarHBondContact O-N 2.69Å; S884-S886 WeakPolarHBondContact CB-OG 3.3Å; S884-S886 PolarHBondContact O-N 3.08Å; S884-S886 PolarHBondContact OG-OG 3.49Å; S884-Q887 WeakPolarHBondContact O-CB 3.3Å; S884-Q887 PolarHBondContact O-N 3.24Å; S884-Q887 WeakPolarHBondContact OG-CG 3.17Å; S884-Q887 PolarHBondContact OG-N 3.1Å; S884-L888 PolarHBondContact O-N 3.02Å | ||
| 885 | P | 40.9 | Very low | 47.9 | Very low | 86 Ų | 86 | 89.8 Ų | 89.8 | 56% | 0.558 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -51.2 | -30.4 | 176.9 | -28.6 | 33.9 | 0 | 0 | 0 | 112.3 | Q887 L888 H889 | P885-Q887 PolarHBondContact O-N 3.19Å; P885-L888 PolarHBondContact O-N 3.01Å; P885-H889 PolarHBondContact O-CD2 2.97Å; P885-H889 PolarHBondContact O-N 3Å |
| 886 | S | 40.1 | Very low | 50.5 | Low | 71 Ų | 71 | 89.3 Ų | 89.3 | 50% | 0.497 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.1 | -29.4 | 173.2 | 54.5 | 0 | 0 | 0 | 0 | 115.5 | S884 | S884-S886 WeakPolarHBondContact CB-OG 3.3Å; S884-S886 PolarHBondContact O-N 3.08Å; S884-S886 PolarHBondContact OG-OG 3.49Å |
| 887 | Q | 49.8 | Very low | 53.3 | Low | 21 Ų | 21 | 82.2 Ų | 82.2 | 10% | 0.098 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -75.4 | -31.2 | 174.2 | -77.2 | 175.1 | -46.9 | 0 | 0 | 111.9 | S884 P885 T890 V891 F949 L975 | S884-Q887 WeakPolarHBondContact O-CB 3.3Å; S884-Q887 PolarHBondContact O-N 3.24Å; S884-Q887 WeakPolarHBondContact OG-CG 3.17Å; S884-Q887 PolarHBondContact OG-N 3.1Å; P885-Q887 PolarHBondContact O-N 3.19Å; Q887-T890 PolarHBondContact O-OG1 3.12Å; Q887-V891 WeakPolarHBondContact O-CG2 3.38Å; Q887-F949 VanDerWaalsContact NE2-CZ 3.31Å; Q887-L975 HydrophobicContact CG-CD1 3.93Å |
| 888 | L | 49.5 | Very low | 55.8 | Low | 67 Ų | 67 | 71.2 Ų | 71.2 | 35% | 0.351 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -83.4 | -30.4 | -179.4 | -71.9 | 167.4 | 0 | 0 | 0 | 112.9 | L883 S884 P885 T890 V891 M893 | L883-L888 HydrophobicContact CB-CD1 3.96Å; L883-L888 HydrophobicContact CB-CG 4.14Å; L883-L888 HydrophobicContact CD1-CD1 4.44Å; L883-L888 HydrophobicContact CD1-CD2 4.1Å; L883-L888 HydrophobicContact CD1-CG 4.47Å; S884-L888 PolarHBondContact O-N 3.02Å; P885-L888 PolarHBondContact O-N 3.01Å; L888-T890 VanDerWaalsContact C-N 3.29Å; L888-T890 PolarHBondContact O-N 2.87Å; L888-V891 PolarHBondContact O-N 3.39Å; L888-M893 HydrophobicContact CD2-CE 3.27Å |
| 889 | H | 47.6 | Very low | 58.3 | Low | 168 Ų | 168 | 69.8 Ų | 69.8 | 78% | 0.778 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -21 | 179.6 | -80.7 | -58.8 | 0 | 0 | 0 | 114.4 | P885 | P885-H889 PolarHBondContact O-CD2 2.97Å; P885-H889 PolarHBondContact O-N 3Å |
| 890 | T | 52.8 | Low | 60.6 | Low | 117 Ų | 117 | 64.5 Ų | 64.5 | 72% | 0.718 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -9.6 | 179.4 | 47.7 | 0 | 0 | 0 | 0 | 113.9 | Q887 L888 | Q887-T890 PolarHBondContact O-OG1 3.12Å; L888-T890 VanDerWaalsContact C-N 3.29Å; L888-T890 PolarHBondContact O-N 2.87Å |
| 891 | V | 64.9 | Low | 63.3 | Low | 19 Ų | 19 | 60.7 Ų | 60.7 | 12% | 0.115 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -110.2 | 127.3 | -171.8 | -176.3 | 0 | 0 | 0 | 0 | 110.9 | Q887 L888 M893 N898 F946 | Q887-V891 WeakPolarHBondContact O-CG2 3.38Å; L888-V891 PolarHBondContact O-N 3.39Å; V891-M893 PolarHBondContact O-N 3.09Å; V891-N898 HydrophobicContact CG1-CB 4.24Å; V891-F946 HydrophobicContact CG1-CE1 3.72Å; V891-F946 HydrophobicContact CG1-CZ 3.78Å |
| 892 | N | 69.4 | Low | 65.6 | Low | 100 Ų | 100 | 57.7 Ų | 57.7 | 54% | 0.535 | 31% | 0.306 | S | S | . | . | trans | -72.6 | 93.4 | 178 | -177.9 | 14 | 0 | 0 | 0 | 110.9 | R894 D895 N898 | N892-R894 PolarHBondContact O-N 3.41Å; N892-R894 VanDerWaalsContact O-N 3.14Å; N892-R894 VanDerWaalsContact OD1-CB 3.22Å; N892-R894 WeakPolarHBondContact OD1-CB 3.48Å; N892-R894 PolarHBondContact OD1-N 2.83Å; N892-D895 PolarHBondContact O-N 3.24Å; N892-D895 VanDerWaalsContact O-N 3.15Å; N892-N898 PolarHBondContact O-ND2 3.09Å | ||
| 893 | M | 75.5 | Confident | 67.7 | Low | 59 Ų | 59 | 57 Ų | 57 | 29% | 0.291 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | 0.5 | 175.6 | -70.6 | -60.9 | -168.2 | 0 | 0 | 114.1 | L888 V891 N898 R899 A902 F946 | L888-M893 HydrophobicContact CD2-CE 3.27Å; V891-M893 PolarHBondContact O-N 3.09Å; M893-N898 HydrophobicContact SD-CB 4.33Å; M893-R899 WeakPolarHBondContact O-CG 3.49Å; M893-R899 PolarHBondContact O-NE 2.93Å; M893-R899 PolarHBondContact O-NH2 2.87Å; M893-A902 HydrophobicContact CE-CB 4.24Å; M893-F946 HydrophobicContact CE-CE1 4.22Å |
| 894 | R | 70 | Confident | 70 | Confident | 212 Ų | 212 | 55.8 Ų | 55.8 | 80% | 0.8 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | -16.9 | 167.2 | -61.9 | -177.3 | 174.3 | 176 | -1.3 | 112.6 | N892 P896 | N892-R894 PolarHBondContact O-N 3.41Å; N892-R894 VanDerWaalsContact O-N 3.14Å; N892-R894 VanDerWaalsContact OD1-CB 3.22Å; N892-R894 WeakPolarHBondContact OD1-CB 3.48Å; N892-R894 PolarHBondContact OD1-N 2.83Å; R894-P896 WeakPolarHBondContact O-CD 3.38Å |
| 895 | D | 80.4 | Confident | 72.3 | Confident | 25 Ų | 25 | 54.9 Ų | 54.9 | 13% | 0.134 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -77 | 121.2 | 175.5 | -163.2 | -44.5 | 0 | 0 | 0 | 110.4 | H823 N892 L897 N898 R899 | H823-D895 IonicContact CE1-OD1 3.81Å; H823-D895 IonicContact CE1-OD2 3.24Å; H823-D895 PolarHBondContact CE1-OD2 2.68Å; H823-D895 VanDerWaalsContact CE1-OD2 3.24Å; H823-D895 IonicContact CG-OD2 2.74Å; H823-D895 IonicContact ND1-OD2 2.79Å; H823-D895 PolarHBondContact ND1-OD2 3.18Å; N892-D895 PolarHBondContact O-N 3.24Å; N892-D895 VanDerWaalsContact O-N 3.15Å; D895-L897 PolarHBondContact O-N 2.8Å; D895-L897 WeakPolarHBondContact OD1-CB 3.49Å; D895-L897 PolarHBondContact OD1-N 3.35Å; D895-N898 HydrophobicContact CB-CB 4.2Å; D895-N898 WeakPolarHBondContact CB-ND2 3.25Å; D895-N898 PolarHBondContact O-N 3.36Å; D895-R899 PolarHBondContact O-N 2.77Å |
| 896 | P | 83.6 | Confident | 74.6 | Confident | 45 Ų | 45 | 55.2 Ų | 55.2 | 29% | 0.292 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -56.6 | -34.6 | 178.5 | -25.1 | 34.7 | 0 | 0 | 0 | 113.7 | L780 R894 R899 V900 | L780-P896 HydrophobicContact CD1-CB 4.01Å; L780-P896 HydrophobicContact CD2-CB 3.85Å; R894-P896 WeakPolarHBondContact O-CD 3.38Å; P896-R899 PolarHBondContact O-N 3.4Å; P896-V900 WeakPolarHBondContact O-CG2 3.34Å; P896-V900 PolarHBondContact O-N 3.08Å |
| 897 | L | 87.1 | Confident | 77 | Confident | 4 Ų | 4 | 53.4 Ų | 53.4 | 2% | 0.021 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -67 | -40.6 | -178.9 | -178.4 | 62 | 0 | 0 | 0 | 111.3 | T779 L780 L783 Y820 D895 R899 V900 L901 | T779-L897 HydrophobicContact CG2-CD1 3.87Å; L780-L897 HydrophobicContact CD2-CB 4.13Å; L780-L897 HydrophobicContact CD2-CD1 4.35Å; L783-L897 HydrophobicContact CD1-CD1 4.11Å; Y820-L897 HydrophobicContact CD1-CD2 4.4Å; Y820-L897 HydrophobicContact CD2-CD2 3.85Å; Y820-L897 HydrophobicContact CE1-CD2 4.31Å; Y820-L897 HydrophobicContact CE2-CD2 3.78Å; Y820-L897 HydrophobicContact CE2-CG 4.2Å; Y820-L897 HydrophobicContact CG-CD2 4.15Å; D895-L897 PolarHBondContact O-N 2.8Å; D895-L897 WeakPolarHBondContact OD1-CB 3.49Å; D895-L897 PolarHBondContact OD1-N 3.35Å; L897-R899 VanDerWaalsContact C-N 3.34Å; L897-R899 PolarHBondContact O-N 3.06Å; L897-V900 PolarHBondContact O-N 3.45Å; L897-L901 HydrophobicContact CD1-CD1 4.12Å; L897-L901 HydrophobicContact CD1-CG 4.34Å; L897-L901 HydrophobicContact CG-CD1 3.99Å; L897-L901 WeakPolarHBondContact O-CB 3.22Å; L897-L901 WeakPolarHBondContact O-CG 3.39Å; L897-L901 PolarHBondContact O-N 3.15Å |
| 898 | N | 86.9 | Confident | 79.1 | Confident | 11 Ų | 11 | 52.4 Ų | 52.4 | 6% | 0.059 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.2 | -43.1 | 176.3 | -68.7 | -15.8 | 0 | 0 | 0 | 111.2 | Y820 V891 N892 M893 D895 A902 F946 | Y820-N898 WeakPolarHBondContact CE1-OD1 3.39Å; Y820-N898 PolarHBondContact OH-OD1 3.38Å; V891-N898 HydrophobicContact CG1-CB 4.24Å; N892-N898 PolarHBondContact O-ND2 3.09Å; M893-N898 HydrophobicContact SD-CB 4.33Å; D895-N898 HydrophobicContact CB-CB 4.2Å; D895-N898 WeakPolarHBondContact CB-ND2 3.25Å; D895-N898 PolarHBondContact O-N 3.36Å; N898-A902 WeakPolarHBondContact O-CB 3.32Å; N898-A902 PolarHBondContact O-N 3.43Å; N898-F946 HydrophobicContact CB-CE1 4.04Å; N898-F946 HydrophobicContact CB-CZ 3.65Å; N898-F946 WeakPolarHBondContact OD1-CZ 3.25Å |
| 899 | R | 84.6 | Confident | 81 | Confident | 62 Ų | 62 | 50.9 Ų | 50.9 | 23% | 0.234 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.4 | -48 | 177.3 | -65.3 | -179 | -175 | 178.6 | -3.5 | 111.5 | N844 M893 D895 P896 L897 L901 A902 N903 | N844-R899 PolarHBondContact OD1-NH1 2.66Å; M893-R899 WeakPolarHBondContact O-CG 3.49Å; M893-R899 PolarHBondContact O-NE 2.93Å; M893-R899 PolarHBondContact O-NH2 2.87Å; D895-R899 PolarHBondContact O-N 2.77Å; P896-R899 PolarHBondContact O-N 3.4Å; L897-R899 VanDerWaalsContact C-N 3.34Å; L897-R899 PolarHBondContact O-N 3.06Å; R899-L901 PolarHBondContact O-N 3.3Å; R899-A902 PolarHBondContact O-N 2.88Å; R899-N903 PolarHBondContact O-N 3.14Å |
| 900 | V | 88.9 | Confident | 83 | Confident | 13 Ų | 13 | 46.8 Ų | 46.8 | 8% | 0.079 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.7 | -44.9 | -180 | 166 | 0 | 0 | 0 | 0 | 111.2 | L780 L783 P896 L897 N903 L904 | L780-V900 HydrophobicContact CD2-CG2 4.17Å; L783-V900 VanDerWaalsContact C-CG1 3.44Å; L783-V900 HydrophobicContact CB-CG1 3.39Å; P896-V900 WeakPolarHBondContact O-CG2 3.34Å; P896-V900 PolarHBondContact O-N 3.08Å; L897-V900 PolarHBondContact O-N 3.45Å; V900-N903 PolarHBondContact O-N 3.33Å; V900-L904 WeakPolarHBondContact O-CB 3.3Å; V900-L904 PolarHBondContact O-N 2.95Å |
| 901 | L | 90.2 | Very high | 84.9 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.6 | -42.3 | 178 | -74.3 | 168.9 | 0 | 0 | 0 | 112.5 | L783 Y820 L897 R899 N903 L904 F905 I943 F946 | L783-L901 HydrophobicContact CD1-CD2 3.92Å; L783-L901 HydrophobicContact CD1-CG 4.46Å; Y820-L901 HydrophobicContact CE2-CD1 3.41Å; Y820-L901 VanDerWaalsContact CE2-CD1 3.41Å; Y820-L901 VanDerWaalsContact OH-CD1 3.29Å; Y820-L901 WeakPolarHBondContact OH-CD1 3.34Å; L897-L901 HydrophobicContact CD1-CD1 4.12Å; L897-L901 HydrophobicContact CD1-CG 4.34Å; L897-L901 HydrophobicContact CG-CD1 3.99Å; L897-L901 WeakPolarHBondContact O-CB 3.22Å; L897-L901 WeakPolarHBondContact O-CG 3.39Å; L897-L901 PolarHBondContact O-N 3.15Å; R899-L901 PolarHBondContact O-N 3.3Å; L901-N903 VanDerWaalsContact C-N 3.32Å; L901-N903 PolarHBondContact O-N 3.42Å; L901-L904 PolarHBondContact O-N 3.49Å; L901-F905 VanDerWaalsContact O-CD2 3.29Å; L901-F905 WeakPolarHBondContact O-CD2 3.39Å; L901-F905 PolarHBondContact O-N 3.09Å; L901-I943 HydrophobicContact CD2-CG2 4.31Å; L901-F946 HydrophobicContact CB-CD2 3.72Å; L901-F946 HydrophobicContact CB-CE2 4.04Å; L901-F946 HydrophobicContact CB-CG 4.27Å; L901-F946 HydrophobicContact CD1-CD2 4.35Å; L901-F946 HydrophobicContact CD1-CE2 4.16Å |
| 902 | A | 86.5 | Confident | 86.1 | Confident | 9 Ų | 9 | 41.6 Ų | 41.6 | 7% | 0.074 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -56.8 | -46.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | M893 N898 R899 L904 F905 L906 F946 | M893-A902 HydrophobicContact CE-CB 4.24Å; N898-A902 WeakPolarHBondContact O-CB 3.32Å; N898-A902 PolarHBondContact O-N 3.43Å; R899-A902 PolarHBondContact O-N 2.88Å; A902-L904 PolarHBondContact O-N 3.44Å; A902-F905 PolarHBondContact O-N 2.91Å; A902-L906 WeakPolarHBondContact O-CG 3.42Å; A902-L906 PolarHBondContact O-N 3.32Å; A902-L906 VanDerWaalsContact O-N 3.12Å; A902-F946 HydrophobicContact CB-CD1 3.86Å; A902-F946 HydrophobicContact CB-CE1 4.46Å; A902-F946 HydrophobicContact CB-CG 4.46Å |
| 903 | N | 85.8 | Confident | 86.9 | Confident | 60 Ų | 60 | 39.4 Ų | 39.4 | 32% | 0.321 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -64.2 | -40.1 | 176.9 | -71.7 | -18.3 | 0 | 0 | 0 | 112.3 | R899 V900 L901 F905 L906 L907 | R899-N903 PolarHBondContact O-N 3.14Å; V900-N903 PolarHBondContact O-N 3.33Å; L901-N903 VanDerWaalsContact C-N 3.32Å; L901-N903 PolarHBondContact O-N 3.42Å; N903-F905 PolarHBondContact O-N 3.25Å; N903-L906 WeakPolarHBondContact O-CB 3.47Å; N903-L906 PolarHBondContact O-N 2.99Å; N903-L907 PolarHBondContact O-N 3.29Å |
| 904 | L | 92.3 | Very high | 87.3 | Confident | 3 Ų | 3 | 38.9 Ų | 38.9 | 2% | 0.016 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.3 | -41.7 | 177.4 | -174.1 | 64.4 | 0 | 0 | 0 | 111.9 | L783 L787 L791 V900 L901 A902 L907 F908 F927 | L783-L904 HydrophobicContact CD2-CD2 4.2Å; L787-L904 HydrophobicContact CD2-CD1 3.78Å; L787-L904 HydrophobicContact CD2-CD2 3.93Å; L787-L904 HydrophobicContact CG-CD1 4.21Å; L791-L904 HydrophobicContact CD1-CD1 4.49Å; V900-L904 WeakPolarHBondContact O-CB 3.3Å; V900-L904 PolarHBondContact O-N 2.95Å; L901-L904 PolarHBondContact O-N 3.49Å; A902-L904 PolarHBondContact O-N 3.44Å; L904-L907 WeakPolarHBondContact O-CB 3.36Å; L904-L907 PolarHBondContact O-N 2.87Å; L904-F908 HydrophobicContact CD1-CD1 4.24Å; L904-F908 HydrophobicContact CD1-CE1 3.53Å; L904-F908 HydrophobicContact CD1-CZ 3.76Å; L904-F908 HydrophobicContact CD2-CE1 4.39Å; L904-F908 HydrophobicContact CD2-CE2 4.16Å; L904-F908 HydrophobicContact CD2-CZ 3.74Å; L904-F908 HydrophobicContact CG-CD1 4.36Å; L904-F908 HydrophobicContact CG-CE1 3.75Å; L904-F908 HydrophobicContact CG-CE2 3.94Å; L904-F908 HydrophobicContact CG-CZ 3.52Å; L904-F908 WeakPolarHBondContact O-CD1 3.32Å; L904-F908 VanDerWaalsContact O-CG 3.31Å; L904-F908 WeakPolarHBondContact O-CG 3.32Å; L904-F908 PolarHBondContact O-N 3.38Å; L904-F927 HydrophobicContact CD2-CE2 4.37Å; L904-F927 HydrophobicContact CD2-CZ 4.33Å |
| 905 | F | 91.9 | Very high | 87.8 | Confident | 1 Ų | 1 | 39.2 Ų | 39.2 | 0% | 0.004 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -68.8 | -31.7 | 176.1 | -84.8 | -76.2 | 0 | 0 | 0 | 113.2 | L901 A902 N903 F908 S909 F927 L928 I943 L944 F946 M947 M951 | L901-F905 VanDerWaalsContact O-CD2 3.29Å; L901-F905 WeakPolarHBondContact O-CD2 3.39Å; L901-F905 PolarHBondContact O-N 3.09Å; A902-F905 PolarHBondContact O-N 2.91Å; N903-F905 PolarHBondContact O-N 3.25Å; F905-F908 HydrophobicContact CD1-CD2 4.05Å; F905-F908 HydrophobicContact CE1-CD2 4.28Å; F905-F908 PolarHBondContact O-N 3.16Å; F905-S909 WeakPolarHBondContact O-CB 3.46Å; F905-S909 PolarHBondContact O-N 3.08Å; F905-F927 HydrophobicContact CZ-CE1 4.23Å; F905-L928 HydrophobicContact CE1-CD2 4.15Å; F905-I943 HydrophobicContact CE2-CG2 3.86Å; F905-I943 VanDerWaalsContact CE2-O 3.27Å; F905-I943 WeakPolarHBondContact CE2-O 3.33Å; F905-I943 HydrophobicContact CZ-CG2 4.01Å; F905-L944 HydrophobicContact CZ-CD2 4.27Å; F905-F946 WeakPolarHBondContact CB-O 3.48Å; F905-F946 HydrophobicContact CD2-CB 3.58Å; F905-F946 HydrophobicContact CE2-CB 4.12Å; F905-F946 HydrophobicContact CG-CB 4.29Å; F905-M947 HydrophobicContact CD1-CB 3.75Å; F905-M947 HydrophobicContact CD1-CG 3.88Å; F905-M947 HydrophobicContact CE1-CB 3.68Å; F905-M947 HydrophobicContact CE1-CG 3.9Å; F905-M947 HydrophobicContact CG-CB 4.46Å; F905-M947 HydrophobicContact CZ-CB 4.34Å; F905-M951 HydrophobicContact CD1-CE 4.39Å; F905-M951 HydrophobicContact CD1-SD 4.24Å |
| 906 | L | 88.4 | Confident | 87.8 | Confident | 93 Ų | 93 | 43.5 Ų | 43.5 | 49% | 0.487 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63.7 | -42.7 | 170 | -68.9 | 174.8 | 0 | 0 | 0 | 111.3 | A902 N903 S909 S910 | A902-L906 WeakPolarHBondContact O-CG 3.42Å; A902-L906 PolarHBondContact O-N 3.32Å; A902-L906 VanDerWaalsContact O-N 3.12Å; N903-L906 WeakPolarHBondContact O-CB 3.47Å; N903-L906 PolarHBondContact O-N 2.99Å; L906-S909 PolarHBondContact O-N 2.97Å; L906-S910 PolarHBondContact O-N 2.93Å |
| 907 | L | 91.2 | Very high | 87.9 | Confident | 33 Ų | 33 | 45.9 Ų | 45.9 | 17% | 0.173 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.1 | -45.4 | 174.1 | 175.9 | 60.4 | 0 | 0 | 0 | 111.5 | P788 L791 T792 N903 L904 S909 S910 I911 | P788-L907 HydrophobicContact CB-CD2 4.08Å; L791-L907 HydrophobicContact CB-CD2 4.14Å; L791-L907 HydrophobicContact CD1-CD2 4.16Å; T792-L907 HydrophobicContact CG2-CD1 3.64Å; T792-L907 HydrophobicContact CG2-CD2 4.21Å; N903-L907 PolarHBondContact O-N 3.29Å; L904-L907 WeakPolarHBondContact O-CB 3.36Å; L904-L907 PolarHBondContact O-N 2.87Å; L907-S909 VanDerWaalsContact C-N 3.31Å; L907-S909 PolarHBondContact O-N 3.18Å; L907-S910 WeakPolarHBondContact O-CB 3.49Å; L907-S910 PolarHBondContact O-N 3.42Å; L907-S910 VanDerWaalsContact O-N 3.1Å; L907-I911 HydrophobicContact CD1-CD1 4.13Å; L907-I911 HydrophobicContact CD1-CG1 4.31Å; L907-I911 HydrophobicContact CG-CD1 3.98Å; L907-I911 WeakPolarHBondContact O-CG1 3.46Å; L907-I911 PolarHBondContact O-N 3.08Å |
| 908 | F | 93.9 | Very high | 88.1 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.2 | -42.2 | 175.4 | -67.2 | -9.3 | 0 | 0 | 0 | 112 | L791 L904 F905 S910 I911 L912 F923 V924 F927 M951 | L791-F908 HydrophobicContact CD1-CD1 4.23Å; L791-F908 HydrophobicContact CD1-CE1 3.64Å; L904-F908 HydrophobicContact CD1-CD1 4.24Å; L904-F908 HydrophobicContact CD1-CE1 3.53Å; L904-F908 HydrophobicContact CD1-CZ 3.76Å; L904-F908 HydrophobicContact CD2-CE1 4.39Å; L904-F908 HydrophobicContact CD2-CE2 4.16Å; L904-F908 HydrophobicContact CD2-CZ 3.74Å; L904-F908 HydrophobicContact CG-CD1 4.36Å; L904-F908 HydrophobicContact CG-CE1 3.75Å; L904-F908 HydrophobicContact CG-CE2 3.94Å; L904-F908 HydrophobicContact CG-CZ 3.52Å; L904-F908 WeakPolarHBondContact O-CD1 3.32Å; L904-F908 VanDerWaalsContact O-CG 3.31Å; L904-F908 WeakPolarHBondContact O-CG 3.32Å; L904-F908 PolarHBondContact O-N 3.38Å; F905-F908 HydrophobicContact CD1-CD2 4.05Å; F905-F908 HydrophobicContact CE1-CD2 4.28Å; F905-F908 PolarHBondContact O-N 3.16Å; F908-S910 VanDerWaalsContact C-N 3.29Å; F908-S910 PolarHBondContact O-N 3.43Å; F908-I911 PolarHBondContact O-N 3.48Å; F908-L912 WeakPolarHBondContact O-CG 3.43Å; F908-L912 PolarHBondContact O-N 3.42Å; F908-F923 HydrophobicContact CE1-CD1 4.34Å; F908-F923 HydrophobicContact CE1-CE1 4.01Å; F908-F923 AromaticContact CZ-CE1 3.92Å; F908-F923 HydrophobicContact CZ-CE1 3.92Å; F908-V924 HydrophobicContact CB-CG1 3.94Å; F908-V924 HydrophobicContact CB-CG2 4.19Å; F908-V924 HydrophobicContact CD1-CG2 3.6Å; F908-V924 HydrophobicContact CD2-CG1 4.23Å; F908-V924 HydrophobicContact CE1-CG2 4.09Å; F908-V924 HydrophobicContact CG-CG1 4Å; F908-V924 HydrophobicContact CG-CG2 3.92Å; F908-F927 HydrophobicContact CE2-CB 4.47Å; F908-F927 AromaticContact CE2-CD1 3.61Å; F908-F927 HydrophobicContact CE2-CD1 3.61Å; F908-F927 HydrophobicContact CE2-CD2 4.34Å; F908-F927 AromaticContact CE2-CE1 3.84Å; F908-F927 HydrophobicContact CE2-CE1 3.84Å; F908-F927 AromaticContact CE2-CG 3.89Å; F908-F927 HydrophobicContact CE2-CG 3.89Å; F908-F927 HydrophobicContact CE2-CZ 4.29Å; F908-F927 HydrophobicContact CZ-CD1 4.21Å; F908-F927 HydrophobicContact CZ-CD2 4.14Å; F908-F927 HydrophobicContact CZ-CE1 4.49Å; F908-F927 HydrophobicContact CZ-CE2 4.42Å; F908-F927 HydrophobicContact CZ-CG 4.03Å; F908-M951 HydrophobicContact CB-CE 3.5Å; F908-M951 HydrophobicContact CB-SD 4.42Å |
| 909 | S | 90 | Very high | 88.4 | Confident | 35 Ų | 35 | 47.9 Ų | 47.9 | 25% | 0.245 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.4 | -38.9 | 175.4 | -170.5 | 0 | 0 | 0 | 0 | 112 | F905 L906 L907 G913 | F905-S909 WeakPolarHBondContact O-CB 3.46Å; F905-S909 PolarHBondContact O-N 3.08Å; L906-S909 PolarHBondContact O-N 2.97Å; L907-S909 VanDerWaalsContact C-N 3.31Å; L907-S909 PolarHBondContact O-N 3.18Å; S909-G913 PolarHBondContact O-N 2.74Å |
| 910 | S | 89.6 | Confident | 88.8 | Confident | 81 Ų | 81 | 45.2 Ų | 45.2 | 57% | 0.566 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -65.7 | -43.2 | 175.8 | -179.6 | 0 | 0 | 0 | 0 | 112 | L906 L907 F908 G913 S914 | L906-S910 PolarHBondContact O-N 2.93Å; L907-S910 WeakPolarHBondContact O-CB 3.49Å; L907-S910 PolarHBondContact O-N 3.42Å; L907-S910 VanDerWaalsContact O-N 3.1Å; F908-S910 VanDerWaalsContact C-N 3.29Å; F908-S910 PolarHBondContact O-N 3.43Å; S910-G913 PolarHBondContact O-N 3.46Å; S910-S914 PolarHBondContact O-N 2.75Å; S910-S914 VanDerWaalsContact O-N 3.14Å |
| 911 | I | 91.4 | Very high | 89 | Confident | 12 Ų | 12 | 45.3 Ų | 45.3 | 6% | 0.062 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.1 | -46.7 | 178 | -70.1 | 166 | 0 | 0 | 0 | 111.2 | L791 L907 F908 G913 S914 V924 | L791-I911 HydrophobicContact CB-CD1 3.95Å; L791-I911 HydrophobicContact CD1-CD1 4.26Å; L791-I911 HydrophobicContact CD2-CD1 4.41Å; L791-I911 HydrophobicContact CG-CD1 4.45Å; L907-I911 HydrophobicContact CD1-CD1 4.13Å; L907-I911 HydrophobicContact CD1-CG1 4.31Å; L907-I911 HydrophobicContact CG-CD1 3.98Å; L907-I911 WeakPolarHBondContact O-CG1 3.46Å; L907-I911 PolarHBondContact O-N 3.08Å; F908-I911 PolarHBondContact O-N 3.48Å; I911-G913 VanDerWaalsContact C-N 3.33Å; I911-G913 PolarHBondContact O-N 3.21Å; I911-S914 WeakPolarHBondContact O-CB 3.46Å; I911-S914 PolarHBondContact O-N 3.44Å; I911-V924 HydrophobicContact CD1-CG2 4.31Å; I911-V924 HydrophobicContact CG2-CG2 4.18Å |
| 912 | L | 90 | Very high | 89.1 | Confident | 16 Ų | 16 | 48.8 Ų | 48.8 | 8% | 0.084 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66.9 | -34.2 | 179.4 | -68.4 | 172 | 0 | 0 | 0 | 112.6 | F908 S914 T921 V924 M951 E954 L955 L958 | F908-L912 WeakPolarHBondContact O-CG 3.43Å; F908-L912 PolarHBondContact O-N 3.42Å; L912-S914 PolarHBondContact O-N 3.39Å; L912-T921 HydrophobicContact CD2-CG2 4.19Å; L912-V924 HydrophobicContact CD1-CG1 4.1Å; L912-V924 HydrophobicContact CD2-CG1 4.17Å; L912-V924 HydrophobicContact CG-CG1 4.14Å; L912-M951 HydrophobicContact CD1-CB 4.41Å; L912-M951 HydrophobicContact CD1-CE 3.43Å; L912-M951 VanDerWaalsContact CD1-CE 3.43Å; L912-M951 HydrophobicContact CD1-CG 4.38Å; L912-E954 HydrophobicContact CB-CB 4Å; L912-L955 HydrophobicContact CD1-CD2 3.43Å; L912-L955 VanDerWaalsContact CD1-CD2 3.43Å; L912-L955 HydrophobicContact CD1-CG 3.84Å; L912-L955 HydrophobicContact CD2-CD2 4.04Å; L912-L955 HydrophobicContact CG-CD2 4.4Å; L912-L958 HydrophobicContact CD2-CD1 4.11Å |
| 913 | G | 86 | Confident | 89.6 | Confident | 54 Ų | 54 | 48.4 Ų | 48.4 | 56% | 0.557 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -76.4 | -8.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | S909 S910 I911 | S909-G913 PolarHBondContact O-N 2.74Å; S910-G913 PolarHBondContact O-N 3.46Å; I911-G913 VanDerWaalsContact C-N 3.33Å; I911-G913 PolarHBondContact O-N 3.21Å |
| 914 | S | 85.3 | Confident | 90 | Very high | 47 Ų | 47 | 45.6 Ų | 45.6 | 33% | 0.329 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -74.2 | 152 | 179.4 | 122.8 | 0 | 0 | 0 | 0 | 111.5 | S910 I911 L912 M916 | S910-S914 PolarHBondContact O-N 2.75Å; S910-S914 VanDerWaalsContact O-N 3.14Å; I911-S914 WeakPolarHBondContact O-CB 3.46Å; I911-S914 PolarHBondContact O-N 3.44Å; L912-S914 PolarHBondContact O-N 3.39Å; S914-M916 PolarHBondContact O-N 2.75Å; S914-M916 PolarHBondContact OG-N 2.97Å; S914-M916 PolarHBondContact OG-O 3.28Å; S914-M916 VanDerWaalsContact OG-O 3.1Å |
| 915 | K | 79.8 | Confident | 90 | Very high | 220 Ų | 220 | 47.3 Ų | 47.3 | 96% | 0.957 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -77.4 | -5.8 | 174.7 | -64 | -176.3 | -179.6 | 179.1 | 0 | 113.6 | ||
| 916 | M | 81.6 | Confident | 90.1 | Very high | 114 Ų | 114 | 47.5 Ų | 47.5 | 56% | 0.562 | 28% | 0.284 | S | S | * | . | trans | -104.8 | 112.7 | -179.2 | -64.6 | -168.6 | -63.9 | 0 | 0 | 110.1 | W797 S914 H920 | W797-M916 HydrophobicContact CH2-CE 3.86Å; W797-M916 HydrophobicContact CZ3-CE 4.33Å; S914-M916 PolarHBondContact O-N 2.75Å; S914-M916 PolarHBondContact OG-N 2.97Å; S914-M916 PolarHBondContact OG-O 3.28Å; S914-M916 VanDerWaalsContact OG-O 3.1Å; M916-H920 PolarHBondContact O-NE2 3.21Å | ||
| 917 | A | 85.2 | Confident | 90.4 | Very high | 95 Ų | 95 | 43 Ų | 43 | 79% | 0.785 | 26% | 0.26 | S | S | * | . | trans | -94.6 | 136.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 918 | G | 90.9 | Very high | 90.4 | Very high | 24 Ų | 24 | 41.5 Ų | 41.5 | 25% | 0.247 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -168.2 | -164.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | H920 T921 Q922 | G918-H920 PolarHBondContact N-CE1 3.44Å; G918-H920 PolarHBondContact O-N 2.65Å; G918-T921 PolarHBondContact N-OG1 3.18Å; G918-T921 WeakPolarHBondContact O-CA 3.1Å; G918-T921 WeakPolarHBondContact O-CB 3.3Å; G918-T921 PolarHBondContact O-N 2.81Å; G918-Q922 PolarHBondContact O-N 3.24Å |
| 919 | P | 93.3 | Very high | 90.1 | Very high | 34 Ų | 34 | 43.3 Ų | 43.3 | 22% | 0.221 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -55.9 | -33.7 | 179.4 | -27.7 | 36.2 | 0 | 0 | 0 | 114.2 | W797 L800 A801 Q922 F923 | W797-P919 WeakPolarHBondContact O-CB 3.43Å; W797-P919 WeakPolarHBondContact O-CG 3.41Å; L800-P919 HydrophobicContact CB-CB 3.94Å; A801-P919 HydrophobicContact CB-CG 4.38Å; P919-Q922 PolarHBondContact O-N 3Å; P919-F923 PolarHBondContact O-N 3.41Å |
| 920 | H | 92.9 | Very high | 90.1 | Very high | 6 Ų | 6 | 42.1 Ų | 42.1 | 3% | 0.028 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.5 | -35.1 | 174.1 | 61.1 | -60.1 | 0 | 0 | 0 | 112.6 | L791 W797 M916 G918 F923 V924 | L791-H920 HydrophobicContact CD2-CB 4.04Å; W797-H920 AromaticContact CD2-ND1 3.74Å; W797-H920 AromaticContact CE2-CG 3.94Å; W797-H920 AromaticContact CE3-CE1 3.93Å; W797-H920 AromaticContact CE3-ND1 3.91Å; W797-H920 HydrophobicContact CG-CB 4.32Å; W797-H920 AromaticContact CZ3-CE1 3.96Å; M916-H920 PolarHBondContact O-NE2 3.21Å; G918-H920 PolarHBondContact N-CE1 3.44Å; G918-H920 PolarHBondContact O-N 2.65Å; H920-F923 WeakPolarHBondContact O-CB 3.33Å; H920-V924 WeakPolarHBondContact O-CG2 3.33Å; H920-V924 PolarHBondContact O-N 2.63Å |
| 921 | T | 92.8 | Very high | 90 | Very high | 14 Ų | 14 | 38.7 Ų | 38.7 | 9% | 0.086 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -69.9 | -40.9 | 171.9 | -44.4 | 0 | 0 | 0 | 0 | 111.3 | L912 G918 F923 V924 Q925 | L912-T921 HydrophobicContact CD2-CG2 4.19Å; G918-T921 PolarHBondContact N-OG1 3.18Å; G918-T921 WeakPolarHBondContact O-CA 3.1Å; G918-T921 WeakPolarHBondContact O-CB 3.3Å; G918-T921 PolarHBondContact O-N 2.81Å; T921-F923 VanDerWaalsContact C-N 3.3Å; T921-F923 PolarHBondContact O-N 3.31Å; T921-V924 PolarHBondContact O-N 2.98Å; T921-Q925 PolarHBondContact O-N 3.26Å; T921-Q925 VanDerWaalsContact O-N 3.1Å |
| 922 | Q | 92.9 | Very high | 89.6 | Confident | 74 Ų | 74 | 39.5 Ų | 39.5 | 35% | 0.346 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -64.9 | -33.5 | 175.9 | -176.9 | 171.3 | 5.3 | 0 | 0 | 112.4 | D802 G918 P919 Q925 S926 | D802-Q922 PolarHBondContact OD2-NE2 3.09Å; G918-Q922 PolarHBondContact O-N 3.24Å; P919-Q922 PolarHBondContact O-N 3Å; Q922-Q925 WeakPolarHBondContact O-CB 3.42Å; Q922-Q925 PolarHBondContact O-N 2.88Å; Q922-S926 WeakPolarHBondContact O-CB 3.27Å; Q922-S926 PolarHBondContact O-N 3.25Å; Q922-S926 PolarHBondContact O-OG 3.34Å |
| 923 | F | 96 | Very high | 89.1 | Confident | 1 Ų | 1 | 43 Ų | 43 | 0% | 0.004 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59 | -49.5 | 170.5 | 176.4 | -84.1 | 0 | 0 | 0 | 111.3 | L787 L791 G805 L808 A809 F908 P919 H920 T921 Q925 S926 F927 | L787-F923 HydrophobicContact CD1-CD1 4.38Å; L787-F923 HydrophobicContact CD1-CD2 4.46Å; L787-F923 HydrophobicContact CD1-CE1 3.63Å; L787-F923 HydrophobicContact CD1-CE2 3.69Å; L787-F923 HydrophobicContact CD1-CZ 3.24Å; L787-F923 HydrophobicContact CD2-CE1 3.82Å; L787-F923 HydrophobicContact CD2-CZ 3.64Å; L787-F923 HydrophobicContact CG-CE1 4.19Å; L787-F923 HydrophobicContact CG-CZ 4.04Å; L791-F923 HydrophobicContact CD1-CD1 4.1Å; L791-F923 HydrophobicContact CD1-CE1 4.14Å; L791-F923 HydrophobicContact CD2-CB 4.11Å; L791-F923 HydrophobicContact CD2-CD1 3.72Å; L791-F923 HydrophobicContact CD2-CE1 4.45Å; L791-F923 HydrophobicContact CD2-CG 3.95Å; L791-F923 HydrophobicContact CG-CD1 4.46Å; G805-F923 WeakPolarHBondContact O-CD2 3.49Å; L808-F923 HydrophobicContact CB-CE2 4.08Å; L808-F923 HydrophobicContact CD2-CE2 4.09Å; L808-F923 HydrophobicContact CG-CE2 3.87Å; A809-F923 VanDerWaalsContact CA-CE2 3.45Å; A809-F923 HydrophobicContact CB-CD2 3.93Å; A809-F923 HydrophobicContact CB-CE2 3.61Å; A809-F923 HydrophobicContact CB-CZ 3.95Å; A809-F923 VanDerWaalsContact N-CE2 3.34Å; F908-F923 HydrophobicContact CE1-CD1 4.34Å; F908-F923 HydrophobicContact CE1-CE1 4.01Å; F908-F923 AromaticContact CZ-CE1 3.92Å; F908-F923 HydrophobicContact CZ-CE1 3.92Å; P919-F923 PolarHBondContact O-N 3.41Å; H920-F923 WeakPolarHBondContact O-CB 3.33Å; T921-F923 VanDerWaalsContact C-N 3.3Å; T921-F923 PolarHBondContact O-N 3.31Å; F923-Q925 VanDerWaalsContact C-N 3.27Å; F923-Q925 PolarHBondContact O-N 3.37Å; F923-S926 PolarHBondContact O-N 3.03Å; F923-S926 VanDerWaalsContact O-N 3.13Å; F923-F927 HydrophobicContact CE1-CB 4.27Å; F923-F927 HydrophobicContact CE1-CD2 4.22Å; F923-F927 HydrophobicContact CZ-CD2 4.23Å; F923-F927 WeakPolarHBondContact O-CB 3.37Å; F923-F927 PolarHBondContact O-N 3.3Å |
| 924 | V | 94.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.2 | -41.5 | 178.3 | 177.8 | 0 | 0 | 0 | 0 | 110.8 | F908 I911 L912 H920 T921 F927 L928 | F908-V924 HydrophobicContact CB-CG1 3.94Å; F908-V924 HydrophobicContact CB-CG2 4.19Å; F908-V924 HydrophobicContact CD1-CG2 3.6Å; F908-V924 HydrophobicContact CD2-CG1 4.23Å; F908-V924 HydrophobicContact CE1-CG2 4.09Å; F908-V924 HydrophobicContact CG-CG1 4Å; F908-V924 HydrophobicContact CG-CG2 3.92Å; I911-V924 HydrophobicContact CD1-CG2 4.31Å; I911-V924 HydrophobicContact CG2-CG2 4.18Å; L912-V924 HydrophobicContact CD1-CG1 4.1Å; L912-V924 HydrophobicContact CD2-CG1 4.17Å; L912-V924 HydrophobicContact CG-CG1 4.14Å; H920-V924 WeakPolarHBondContact O-CG2 3.33Å; H920-V924 PolarHBondContact O-N 2.63Å; T921-V924 PolarHBondContact O-N 2.98Å; V924-F927 PolarHBondContact O-N 3.18Å; V924-L928 HydrophobicContact CG1-CD1 4.14Å; V924-L928 WeakPolarHBondContact O-CG 3.27Å; V924-L928 PolarHBondContact O-N 3.28Å; V924-L928 VanDerWaalsContact O-N 3.16Å |
| 925 | Q | 92.6 | Very high | 88 | Confident | 39 Ų | 39 | 39 Ų | 39 | 18% | 0.182 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.4 | -51.7 | 174.1 | -171.6 | -165.1 | -53.7 | 0 | 0 | 111.3 | T921 Q922 F923 F927 L928 E929 L958 A960 L961 | T921-Q925 PolarHBondContact O-N 3.26Å; T921-Q925 VanDerWaalsContact O-N 3.1Å; Q922-Q925 WeakPolarHBondContact O-CB 3.42Å; Q922-Q925 PolarHBondContact O-N 2.88Å; F923-Q925 VanDerWaalsContact C-N 3.27Å; F923-Q925 PolarHBondContact O-N 3.37Å; Q925-F927 VanDerWaalsContact C-N 3.32Å; Q925-F927 PolarHBondContact O-N 3.06Å; Q925-L928 PolarHBondContact O-N 2.94Å; Q925-E929 PolarHBondContact NE2-OE1 3.15Å; Q925-E929 WeakPolarHBondContact O-CG 3.35Å; Q925-E929 PolarHBondContact O-N 3.44Å; Q925-L958 HydrophobicContact CB-CD1 4.13Å; Q925-L958 HydrophobicContact CG-CD1 4.26Å; Q925-A960 HydrophobicContact CG-CB 4.46Å; Q925-L961 HydrophobicContact CB-CD1 4.5Å; Q925-L961 HydrophobicContact CG-CD1 3.9Å; Q925-L961 HydrophobicContact CG-CG 3.93Å |
| 926 | S | 93.8 | Very high | 86.9 | Confident | 5 Ų | 5 | 33.1 Ų | 33.1 | 4% | 0.035 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.6 | -37.5 | -178.6 | -59.8 | 0 | 0 | 0 | 0 | 112.6 | Q922 F923 L928 E929 E930 | Q922-S926 WeakPolarHBondContact O-CB 3.27Å; Q922-S926 PolarHBondContact O-N 3.25Å; Q922-S926 PolarHBondContact O-OG 3.34Å; F923-S926 PolarHBondContact O-N 3.03Å; F923-S926 VanDerWaalsContact O-N 3.13Å; S926-L928 VanDerWaalsContact C-N 3.34Å; S926-E929 PolarHBondContact O-N 3.43Å; S926-E930 PolarHBondContact O-N 3.31Å |
| 927 | F | 94.4 | Very high | 85.6 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.8 | -42.7 | 176.9 | -175.2 | -80.4 | 0 | 0 | 0 | 111.3 | A809 V813 L904 F905 F908 F923 V924 Q925 C931 I943 | A809-F927 HydrophobicContact CB-CB 4.07Å; V813-F927 HydrophobicContact CG2-CD1 4.15Å; V813-F927 HydrophobicContact CG2-CD2 3.71Å; V813-F927 HydrophobicContact CG2-CE1 4.08Å; V813-F927 HydrophobicContact CG2-CE2 3.63Å; V813-F927 HydrophobicContact CG2-CG 3.97Å; V813-F927 HydrophobicContact CG2-CZ 3.82Å; L904-F927 HydrophobicContact CD2-CE2 4.37Å; L904-F927 HydrophobicContact CD2-CZ 4.33Å; F905-F927 HydrophobicContact CZ-CE1 4.23Å; F908-F927 HydrophobicContact CE2-CB 4.47Å; F908-F927 AromaticContact CE2-CD1 3.61Å; F908-F927 HydrophobicContact CE2-CD1 3.61Å; F908-F927 HydrophobicContact CE2-CD2 4.34Å; F908-F927 AromaticContact CE2-CE1 3.84Å; F908-F927 HydrophobicContact CE2-CE1 3.84Å; F908-F927 AromaticContact CE2-CG 3.89Å; F908-F927 HydrophobicContact CE2-CG 3.89Å; F908-F927 HydrophobicContact CE2-CZ 4.29Å; F908-F927 HydrophobicContact CZ-CD1 4.21Å; F908-F927 HydrophobicContact CZ-CD2 4.14Å; F908-F927 HydrophobicContact CZ-CE1 4.49Å; F908-F927 HydrophobicContact CZ-CE2 4.42Å; F908-F927 HydrophobicContact CZ-CG 4.03Å; F923-F927 HydrophobicContact CE1-CB 4.27Å; F923-F927 HydrophobicContact CE1-CD2 4.22Å; F923-F927 HydrophobicContact CZ-CD2 4.23Å; F923-F927 WeakPolarHBondContact O-CB 3.37Å; F923-F927 PolarHBondContact O-N 3.3Å; V924-F927 PolarHBondContact O-N 3.18Å; Q925-F927 VanDerWaalsContact C-N 3.32Å; Q925-F927 PolarHBondContact O-N 3.06Å; F927-C931 WeakPolarHBondContact CE1-SG 3.47Å; F927-C931 PolarHBondContact O-N 2.97Å; F927-C931 PolarHBondContact O-SG 3.5Å; F927-I943 HydrophobicContact CE1-CG2 4.2Å; F927-I943 HydrophobicContact CZ-CG2 4.33Å |
| 928 | L | 91.2 | Very high | 83.8 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -72.9 | -37.3 | 178.5 | -69.2 | 168.7 | 0 | 0 | 0 | 112.3 | F905 V924 Q925 S926 C931 V932 L944 M947 L955 L961 | F905-L928 HydrophobicContact CE1-CD2 4.15Å; V924-L928 HydrophobicContact CG1-CD1 4.14Å; V924-L928 WeakPolarHBondContact O-CG 3.27Å; V924-L928 PolarHBondContact O-N 3.28Å; V924-L928 VanDerWaalsContact O-N 3.16Å; Q925-L928 PolarHBondContact O-N 2.94Å; S926-L928 VanDerWaalsContact C-N 3.34Å; L928-C931 WeakPolarHBondContact O-CB 3.42Å; L928-C931 PolarHBondContact O-N 3.5Å; L928-V932 VanDerWaalsContact O-CG2 3.27Å; L928-V932 WeakPolarHBondContact O-CG2 3.41Å; L928-V932 PolarHBondContact O-N 2.96Å; L928-L944 HydrophobicContact CD2-CD2 3.93Å; L928-M947 HydrophobicContact CD2-SD 4.17Å; L928-L955 HydrophobicContact CD1-CD1 3.47Å; L928-L955 VanDerWaalsContact CD1-CD1 3.47Å; L928-L955 HydrophobicContact CD1-CD2 3.17Å; L928-L955 HydrophobicContact CD1-CG 3.94Å; L928-L961 HydrophobicContact CB-CD1 4.47Å; L928-L961 HydrophobicContact CD1-CD1 4.32Å |
| 929 | E | 88.6 | Confident | 81.9 | Confident | 38 Ų | 38 | 28.2 Ų | 28.2 | 18% | 0.178 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -56.6 | -49.8 | 171.3 | -73.2 | 176.7 | -176.7 | 0 | 0 | 110.8 | K806 Q925 S926 C931 V932 E933 A960 L961 | K806-E929 IonicContact NZ-OE2 3.4Å; Q925-E929 PolarHBondContact NE2-OE1 3.15Å; Q925-E929 WeakPolarHBondContact O-CG 3.35Å; Q925-E929 PolarHBondContact O-N 3.44Å; S926-E929 PolarHBondContact O-N 3.43Å; E929-C931 PolarHBondContact O-N 2.95Å; E929-V932 WeakPolarHBondContact O-CB 3.4Å; E929-V932 PolarHBondContact O-N 2.86Å; E929-V932 VanDerWaalsContact O-N 3.11Å; E929-E933 WeakPolarHBondContact O-CG 3.27Å; E929-E933 PolarHBondContact O-N 3.39Å; E929-A960 VanDerWaalsContact OE1-CB 3.27Å; E929-A960 WeakPolarHBondContact OE1-CB 3.29Å; E929-L961 HydrophobicContact CG-CD2 3.71Å |
| 930 | E | 89.3 | Confident | 79.9 | Confident | 11 Ų | 11 | 31.1 Ų | 31.1 | 5% | 0.051 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.2 | -39.2 | 178.9 | -170.4 | 75.8 | -159.3 | 0 | 0 | 112 | K810 V813 W814 S926 V932 E933 C934 | K810-E930 HydrophobicContact CB-CG 4.33Å; K810-E930 WeakPolarHBondContact CD-OE2 3.12Å; K810-E930 WeakPolarHBondContact CE-OE1 3.44Å; K810-E930 VanDerWaalsContact CG-CD 3.48Å; K810-E930 HydrophobicContact CG-CG 4.11Å; K810-E930 WeakPolarHBondContact CG-OE2 3.37Å; K810-E930 IonicContact NZ-OE1 2.73Å; K810-E930 IonicContact NZ-OE2 2.64Å; V813-E930 HydrophobicContact CB-CB 4.3Å; V813-E930 HydrophobicContact CB-CG 3.89Å; V813-E930 HydrophobicContact CG1-CB 4.45Å; V813-E930 HydrophobicContact CG1-CG 3.95Å; V813-E930 HydrophobicContact CG2-CB 4.11Å; V813-E930 HydrophobicContact CG2-CG 4.26Å; W814-E930 PolarHBondContact NE1-OE1 3.41Å; S926-E930 PolarHBondContact O-N 3.31Å; E930-V932 PolarHBondContact O-N 3.46Å; E930-E933 PolarHBondContact O-N 3.46Å; E930-C934 PolarHBondContact O-N 3.23Å; E930-C934 PolarHBondContact O-SG 2.95Å; E930-C934 VanDerWaalsContact O-SG 3.39Å |
| 931 | C | 88 | Confident | 78.2 | Confident | 8 Ų | 8 | 33 Ų | 33 | 5% | 0.054 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -56.8 | -41.2 | 172.8 | -74.6 | 0 | 0 | 0 | 0 | 111.4 | F927 L928 E929 C934 L935 L944 | F927-C931 WeakPolarHBondContact CE1-SG 3.47Å; F927-C931 PolarHBondContact O-N 2.97Å; F927-C931 PolarHBondContact O-SG 3.5Å; L928-C931 WeakPolarHBondContact O-CB 3.42Å; L928-C931 PolarHBondContact O-N 3.5Å; E929-C931 PolarHBondContact O-N 2.95Å; C931-C934 PolarHBondContact O-N 3.14Å; C931-L935 WeakPolarHBondContact O-CG 3.31Å; C931-L944 HydrophobicContact CB-CD1 4.34Å; C931-L944 HydrophobicContact CB-CD2 3.95Å; C931-L944 HydrophobicContact CB-CG 4.22Å |
| 932 | V | 82.3 | Confident | 77.2 | Confident | 29 Ų | 29 | 33.2 Ų | 33.2 | 18% | 0.176 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -69.5 | -41.4 | 178.6 | 170.4 | 0 | 0 | 0 | 0 | 111.7 | L928 E929 E930 C934 L935 V966 A969 I970 | L928-V932 VanDerWaalsContact O-CG2 3.27Å; L928-V932 WeakPolarHBondContact O-CG2 3.41Å; L928-V932 PolarHBondContact O-N 2.96Å; E929-V932 WeakPolarHBondContact O-CB 3.4Å; E929-V932 PolarHBondContact O-N 2.86Å; E929-V932 VanDerWaalsContact O-N 3.11Å; E930-V932 PolarHBondContact O-N 3.46Å; V932-C934 VanDerWaalsContact C-N 3.25Å; V932-C934 PolarHBondContact O-N 2.79Å; V932-L935 HydrophobicContact CB-CD1 4.19Å; V932-L935 HydrophobicContact CG1-CD1 4.11Å; V932-L935 HydrophobicContact CG2-CD1 4.24Å; V932-L935 WeakPolarHBondContact O-CB 3.47Å; V932-L935 WeakPolarHBondContact O-CD1 3.41Å; V932-L935 VanDerWaalsContact O-CG 3.26Å; V932-L935 WeakPolarHBondContact O-CG 3.25Å; V932-L935 PolarHBondContact O-N 3.42Å; V932-V966 HydrophobicContact CG2-CG1 4.35Å; V932-A969 HydrophobicContact CB-CB 4.5Å; V932-A969 HydrophobicContact CG1-CB 3.78Å; V932-A969 HydrophobicContact CG2-CB 4.02Å; V932-I970 HydrophobicContact CG2-CG2 3.38Å |
| 933 | E | 80.7 | Confident | 76.8 | Confident | 90 Ų | 90 | 29.9 Ų | 29.9 | 42% | 0.421 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -62.7 | -33.6 | 176.8 | -72.5 | -176.9 | -174.9 | 0 | 0 | 112.1 | R272 E929 E930 L935 | R272-E933 PolarHBondContact NH2-O 3.11Å; E929-E933 WeakPolarHBondContact O-CG 3.27Å; E929-E933 PolarHBondContact O-N 3.39Å; E930-E933 PolarHBondContact O-N 3.46Å; E933-L935 VanDerWaalsContact C-N 3.35Å; E933-L935 PolarHBondContact O-N 3.01Å |
| 934 | C | 79 | Confident | 76.3 | Confident | 3 Ų | 3 | 30.7 Ų | 30.7 | 2% | 0.02 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -82.6 | 1.1 | 178.6 | -65.5 | 0 | 0 | 0 | 0 | 115 | L817 E930 C931 V932 E936 Q937 | L817-C934 HydrophobicContact CD1-CB 3.57Å; E930-C934 PolarHBondContact O-N 3.23Å; E930-C934 PolarHBondContact O-SG 2.95Å; E930-C934 VanDerWaalsContact O-SG 3.39Å; C931-C934 PolarHBondContact O-N 3.14Å; V932-C934 VanDerWaalsContact C-N 3.25Å; V932-C934 PolarHBondContact O-N 2.79Å; C934-E936 VanDerWaalsContact C-N 3.33Å; C934-E936 PolarHBondContact O-N 3.12Å; C934-Q937 WeakPolarHBondContact O-CB 3.5Å; C934-Q937 VanDerWaalsContact O-CG 3.22Å; C934-Q937 WeakPolarHBondContact O-CG 3.31Å; C934-Q937 PolarHBondContact O-N 3.37Å |
| 935 | L | 67.3 | Low | 75.6 | Confident | 15 Ų | 15 | 33.4 Ų | 33.4 | 8% | 0.079 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -67 | -23.1 | -171.8 | -68.9 | 172 | 0 | 0 | 0 | 116 | C931 V932 E933 Q937 R940 L944 A969 | C931-L935 WeakPolarHBondContact O-CG 3.31Å; V932-L935 HydrophobicContact CB-CD1 4.19Å; V932-L935 HydrophobicContact CG1-CD1 4.11Å; V932-L935 HydrophobicContact CG2-CD1 4.24Å; V932-L935 WeakPolarHBondContact O-CB 3.47Å; V932-L935 WeakPolarHBondContact O-CD1 3.41Å; V932-L935 VanDerWaalsContact O-CG 3.26Å; V932-L935 WeakPolarHBondContact O-CG 3.25Å; V932-L935 PolarHBondContact O-N 3.42Å; E933-L935 VanDerWaalsContact C-N 3.35Å; E933-L935 PolarHBondContact O-N 3.01Å; L935-Q937 PolarHBondContact O-N 3.03Å; L935-R940 HydrophobicContact CB-CG 4.18Å; L935-R940 HydrophobicContact CD2-CB 4.09Å; L935-R940 HydrophobicContact CD2-CG 3.7Å; L935-R940 HydrophobicContact CG-CG 4.44Å; L935-L944 HydrophobicContact CD2-CD1 3.71Å; L935-A969 HydrophobicContact CD1-CB 3.31Å; L935-A969 WeakPolarHBondContact CD1-O 3.45Å |
| 936 | E | 58.5 | Low | 75.2 | Confident | 96 Ų | 96 | 31.9 Ų | 31.9 | 45% | 0.449 | 19% | 0.188 | S | C | . | . | G | 310 helix | trans | -65.4 | -3.7 | 179.5 | -62.5 | -164 | 138.5 | 0 | 0 | 113.3 | V228 C934 G938 | V228-E936 PolarHBondContact N-OE1 2.71Å; C934-E936 VanDerWaalsContact C-N 3.33Å; C934-E936 PolarHBondContact O-N 3.12Å; E936-G938 VanDerWaalsContact C-N 3.35Å; E936-G938 PolarHBondContact O-N 2.92Å |
| 937 | Q | 52.3 | Low | 74.8 | Confident | 25 Ų | 25 | 31.9 Ų | 31.9 | 12% | 0.117 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -88.5 | 7.4 | -174 | -59.7 | 179.2 | 2.9 | 0 | 0 | 114.5 | M266 R269 M270 C934 L935 S939 | M266-Q937 PolarHBondContact SD-OE1 3.04Å; M266-Q937 VanDerWaalsContact SD-OE1 3.33Å; R269-Q937 VanDerWaalsContact C-NE2 3.26Å; R269-Q937 HydrophobicContact CB-CG 3.82Å; M270-Q937 VanDerWaalsContact CG-NE2 3.31Å; C934-Q937 WeakPolarHBondContact O-CB 3.5Å; C934-Q937 VanDerWaalsContact O-CG 3.22Å; C934-Q937 WeakPolarHBondContact O-CG 3.31Å; C934-Q937 PolarHBondContact O-N 3.37Å; L935-Q937 PolarHBondContact O-N 3.03Å; Q937-S939 PolarHBondContact O-N 3.16Å |
| 938 | G | 49.2 | Very low | 74.4 | Confident | 78 Ų | 78 | 32.3 Ų | 32.3 | 80% | 0.804 | 19% | 0.19 | S | C | * | . | S | Bend | trans | 70.9 | 5.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | E936 | E936-G938 VanDerWaalsContact C-N 3.35Å; E936-G938 PolarHBondContact O-N 2.92Å |
| 939 | S | 50.5 | Low | 73.9 | Confident | 26 Ų | 26 | 33.2 Ų | 33.2 | 18% | 0.182 | 19% | 0.194 | C | C | . | . | trans | -95 | 7.8 | -173.7 | 61.6 | 0 | 0 | 0 | 0 | 113.8 | Q937 G941 S942 | Q937-S939 PolarHBondContact O-N 3.16Å; S939-G941 PolarHBondContact O-N 2.99Å; S939-S942 WeakPolarHBondContact O-CB 3.44Å; S939-S942 PolarHBondContact O-N 3.08Å; S939-S942 PolarHBondContact O-OG 3.49Å | ||
| 940 | R | 49.9 | Very low | 73.5 | Confident | 95 Ų | 95 | 34.2 Ų | 34.2 | 36% | 0.358 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -46.2 | -36.8 | -177.3 | -62.4 | -169.4 | 117.3 | 150.6 | 3.7 | 113.1 | L935 | L935-R940 HydrophobicContact CB-CG 4.18Å; L935-R940 HydrophobicContact CD2-CB 4.09Å; L935-R940 HydrophobicContact CD2-CG 3.7Å; L935-R940 HydrophobicContact CG-CG 4.44Å |
| 941 | G | 58.7 | Low | 73.4 | Confident | 47 Ų | 47 | 33.8 Ų | 33.8 | 49% | 0.485 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -2.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | S939 Q945 | S939-G941 PolarHBondContact O-N 2.99Å; G941-Q945 VanDerWaalsContact O-CB 3.3Å; G941-Q945 WeakPolarHBondContact O-CB 3.2Å; G941-Q945 WeakPolarHBondContact O-CG 3.29Å; G941-Q945 PolarHBondContact O-NE2 3.4Å; G941-Q945 VanDerWaalsContact O-NE2 3.13Å; G941-Q945 PolarHBondContact O-OE1 3.36Å |
| 942 | S | 70.9 | Confident | 73.4 | Confident | 17 Ų | 17 | 33.4 Ų | 33.4 | 12% | 0.119 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -52.1 | -173.2 | 60 | 0 | 0 | 0 | 0 | 113.2 | Y820 S939 Q945 F946 | Y820-S942 WeakPolarHBondContact CE2-O 3.48Å; Y820-S942 PolarHBondContact OH-O 3.43Å; S939-S942 WeakPolarHBondContact O-CB 3.44Å; S939-S942 PolarHBondContact O-N 3.08Å; S939-S942 PolarHBondContact O-OG 3.49Å; S942-Q945 PolarHBondContact O-NE2 3.49Å; S942-F946 VanDerWaalsContact O-CE2 3.32Å; S942-F946 WeakPolarHBondContact O-CE2 3.4Å |
| 943 | I | 85.1 | Confident | 73.5 | Confident | 5 Ų | 5 | 35.4 Ų | 35.4 | 3% | 0.026 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -96.7 | -52.3 | -178.5 | -59.9 | 172.8 | 0 | 0 | 0 | 111.5 | V813 A816 L817 Y820 L901 F905 F927 Q945 F946 | V813-I943 HydrophobicContact CG1-CD1 4.29Å; A816-I943 HydrophobicContact CB-CD1 3.53Å; A816-I943 HydrophobicContact CB-CG1 4.08Å; L817-I943 HydrophobicContact CD2-CD1 3.67Å; L817-I943 HydrophobicContact CD2-CG1 4.31Å; L817-I943 HydrophobicContact CG-CD1 3.72Å; Y820-I943 HydrophobicContact CD2-CG1 4.35Å; Y820-I943 HydrophobicContact CE2-CG1 4.19Å; L901-I943 HydrophobicContact CD2-CG2 4.31Å; F905-I943 HydrophobicContact CE2-CG2 3.86Å; F905-I943 VanDerWaalsContact CE2-O 3.27Å; F905-I943 WeakPolarHBondContact CE2-O 3.33Å; F905-I943 HydrophobicContact CZ-CG2 4.01Å; F927-I943 HydrophobicContact CE1-CG2 4.2Å; F927-I943 HydrophobicContact CZ-CG2 4.33Å; I943-Q945 PolarHBondContact O-N 3.5Å; I943-Q945 VanDerWaalsContact O-N 3.15Å; I943-F946 VanDerWaalsContact O-CD2 3.32Å; I943-F946 WeakPolarHBondContact O-CD2 3.25Å; I943-F946 PolarHBondContact O-N 2.98Å |
| 944 | L | 85.4 | Confident | 73.8 | Confident | 18 Ų | 18 | 33.9 Ų | 33.9 | 9% | 0.094 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -69.8 | -13.8 | -172 | -67.5 | 172.2 | 0 | 0 | 0 | 113.9 | F905 L928 C931 L935 F946 M947 | F905-L944 HydrophobicContact CZ-CD2 4.27Å; L928-L944 HydrophobicContact CD2-CD2 3.93Å; C931-L944 HydrophobicContact CB-CD1 4.34Å; C931-L944 HydrophobicContact CB-CD2 3.95Å; C931-L944 HydrophobicContact CB-CG 4.22Å; L935-L944 HydrophobicContact CD2-CD1 3.71Å; L944-F946 PolarHBondContact O-N 3.32Å; L944-F946 VanDerWaalsContact O-N 3.13Å; L944-M947 VanDerWaalsContact O-CB 3.3Å; L944-M947 WeakPolarHBondContact O-CB 3.47Å; L944-M947 PolarHBondContact O-N 3.41Å |
| 945 | Q | 80.8 | Confident | 74.1 | Confident | 56 Ų | 56 | 33.7 Ų | 33.7 | 26% | 0.262 | 21% | 0.205 | S | C | . | . | G | 310 helix | trans | -58.6 | -23.3 | 175 | 65.6 | 178 | -20.1 | 0 | 0 | 113.5 | G941 S942 I943 | G941-Q945 VanDerWaalsContact O-CB 3.3Å; G941-Q945 WeakPolarHBondContact O-CB 3.2Å; G941-Q945 WeakPolarHBondContact O-CG 3.29Å; G941-Q945 PolarHBondContact O-NE2 3.4Å; G941-Q945 VanDerWaalsContact O-NE2 3.13Å; G941-Q945 PolarHBondContact O-OE1 3.36Å; S942-Q945 PolarHBondContact O-NE2 3.49Å; I943-Q945 PolarHBondContact O-N 3.5Å; I943-Q945 VanDerWaalsContact O-N 3.15Å |
| 946 | F | 83.5 | Confident | 75 | Confident | 7 Ų | 7 | 34.2 Ų | 34.2 | 3% | 0.031 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -87.6 | -5.5 | 178.7 | -59.4 | -72.1 | 0 | 0 | 0 | 113.6 | Y820 V891 M893 N898 L901 A902 F905 S942 I943 L944 P948 | Y820-F946 WeakPolarHBondContact OH-CE2 3.45Å; V891-F946 HydrophobicContact CG1-CE1 3.72Å; V891-F946 HydrophobicContact CG1-CZ 3.78Å; M893-F946 HydrophobicContact CE-CE1 4.22Å; N898-F946 HydrophobicContact CB-CE1 4.04Å; N898-F946 HydrophobicContact CB-CZ 3.65Å; N898-F946 WeakPolarHBondContact OD1-CZ 3.25Å; L901-F946 HydrophobicContact CB-CD2 3.72Å; L901-F946 HydrophobicContact CB-CE2 4.04Å; L901-F946 HydrophobicContact CB-CG 4.27Å; L901-F946 HydrophobicContact CD1-CD2 4.35Å; L901-F946 HydrophobicContact CD1-CE2 4.16Å; A902-F946 HydrophobicContact CB-CD1 3.86Å; A902-F946 HydrophobicContact CB-CE1 4.46Å; A902-F946 HydrophobicContact CB-CG 4.46Å; F905-F946 WeakPolarHBondContact CB-O 3.48Å; F905-F946 HydrophobicContact CD2-CB 3.58Å; F905-F946 HydrophobicContact CE2-CB 4.12Å; F905-F946 HydrophobicContact CG-CB 4.29Å; S942-F946 VanDerWaalsContact O-CE2 3.32Å; S942-F946 WeakPolarHBondContact O-CE2 3.4Å; I943-F946 VanDerWaalsContact O-CD2 3.32Å; I943-F946 WeakPolarHBondContact O-CD2 3.25Å; I943-F946 PolarHBondContact O-N 2.98Å; L944-F946 PolarHBondContact O-N 3.32Å; L944-F946 VanDerWaalsContact O-N 3.13Å; F946-P948 VanDerWaalsContact O-CD 3.25Å; F946-P948 WeakPolarHBondContact O-CD 3.4Å |
| 947 | M | 86.2 | Confident | 76.4 | Confident | 6 Ų | 6 | 36.2 Ų | 36.2 | 3% | 0.03 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -74.1 | 121.3 | -178.2 | -171 | -175.7 | 70.1 | 0 | 0 | 110.9 | F905 L928 L944 F949 M951 V952 L955 I970 | F905-M947 HydrophobicContact CD1-CB 3.75Å; F905-M947 HydrophobicContact CD1-CG 3.88Å; F905-M947 HydrophobicContact CE1-CB 3.68Å; F905-M947 HydrophobicContact CE1-CG 3.9Å; F905-M947 HydrophobicContact CG-CB 4.46Å; F905-M947 HydrophobicContact CZ-CB 4.34Å; L928-M947 HydrophobicContact CD2-SD 4.17Å; L944-M947 VanDerWaalsContact O-CB 3.3Å; L944-M947 WeakPolarHBondContact O-CB 3.47Å; L944-M947 PolarHBondContact O-N 3.41Å; M947-F949 PolarHBondContact O-N 3.27Å; M947-M951 HydrophobicContact CG-CB 4.3Å; M947-M951 HydrophobicContact CG-SD 3.94Å; M947-V952 HydrophobicContact CE-CG2 3.78Å; M947-L955 HydrophobicContact SD-CD1 3.93Å; M947-I970 HydrophobicContact CE-CB 3.96Å; M947-I970 HydrophobicContact CE-CD1 4.47Å; M947-I970 HydrophobicContact CE-CG1 4.2Å; M947-I970 WeakPolarHBondContact CE-O 3.2Å; M947-I970 HydrophobicContact SD-CB 4.4Å |
| 948 | P | 84.1 | Confident | 77.9 | Confident | 8 Ų | 8 | 36.6 Ų | 36.6 | 5% | 0.052 | 22% | 0.219 | C | C | . | . | trans | -59.8 | 135.7 | 171.3 | -23.8 | 32.5 | 0 | 0 | 0 | 112.6 | L883 F946 T950 M951 | L883-P948 HydrophobicContact CD2-CG 4.37Å; F946-P948 VanDerWaalsContact O-CD 3.25Å; F946-P948 WeakPolarHBondContact O-CD 3.4Å; P948-T950 PolarHBondContact O-N 2.81Å; P948-T950 VanDerWaalsContact O-N 3.13Å; P948-M951 HydrophobicContact CB-CG 4.32Å; P948-M951 VanDerWaalsContact CD-SD 3.59Å; P948-M951 HydrophobicContact CG-CG 4.46Å; P948-M951 HydrophobicContact CG-SD 4.23Å; P948-M951 WeakPolarHBondContact O-CB 3.3Å; P948-M951 PolarHBondContact O-N 3.43Å | ||
| 949 | F | 81.1 | Confident | 79.4 | Confident | 19 Ų | 19 | 38.2 Ų | 38.2 | 8% | 0.083 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.1 | -27.9 | 175.7 | -72.3 | -65.2 | 0 | 0 | 0 | 113.6 | Q887 M947 M951 V952 L975 L977 G978 V981 | Q887-F949 VanDerWaalsContact NE2-CZ 3.31Å; M947-F949 PolarHBondContact O-N 3.27Å; F949-M951 PolarHBondContact O-N 3.15Å; F949-V952 PolarHBondContact O-N 3.36Å; F949-L975 HydrophobicContact CZ-CD1 4.1Å; F949-L977 HydrophobicContact CD2-CD2 3.67Å; F949-L977 HydrophobicContact CD2-CG 4.1Å; F949-L977 HydrophobicContact CE2-CD2 3.74Å; F949-L977 HydrophobicContact CE2-CG 4.1Å; F949-L977 HydrophobicContact CG-CD2 4.46Å; F949-G978 VanDerWaalsContact CE1-CA 3.4Å; F949-V981 HydrophobicContact CB-CG2 4.1Å; F949-V981 HydrophobicContact CD1-CB 4.34Å; F949-V981 HydrophobicContact CD1-CG1 4.46Å; F949-V981 HydrophobicContact CD1-CG2 4.12Å; F949-V981 HydrophobicContact CG-CG2 4.3Å |
| 950 | T | 80.8 | Confident | 80.8 | Confident | 60 Ų | 60 | 38.4 Ų | 38.4 | 37% | 0.368 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -65.6 | -23.4 | 176.4 | 50.2 | 0 | 0 | 0 | 0 | 113 | P948 V952 S953 | P948-T950 PolarHBondContact O-N 2.81Å; P948-T950 VanDerWaalsContact O-N 3.13Å; T950-V952 VanDerWaalsContact C-N 3.29Å; T950-V952 PolarHBondContact O-N 3.17Å; T950-S953 PolarHBondContact O-OG 3.26Å |
| 951 | M | 87.6 | Confident | 82.3 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.7 | -30.8 | 176.1 | -72.8 | -180 | 66.4 | 0 | 0 | 112 | F905 F908 L912 M947 P948 F949 S953 E954 L955 | F905-M951 HydrophobicContact CD1-CE 4.39Å; F905-M951 HydrophobicContact CD1-SD 4.24Å; F908-M951 HydrophobicContact CB-CE 3.5Å; F908-M951 HydrophobicContact CB-SD 4.42Å; L912-M951 HydrophobicContact CD1-CB 4.41Å; L912-M951 HydrophobicContact CD1-CE 3.43Å; L912-M951 VanDerWaalsContact CD1-CE 3.43Å; L912-M951 HydrophobicContact CD1-CG 4.38Å; M947-M951 HydrophobicContact CG-CB 4.3Å; M947-M951 HydrophobicContact CG-SD 3.94Å; P948-M951 HydrophobicContact CB-CG 4.32Å; P948-M951 VanDerWaalsContact CD-SD 3.59Å; P948-M951 HydrophobicContact CG-CG 4.46Å; P948-M951 HydrophobicContact CG-SD 4.23Å; P948-M951 WeakPolarHBondContact O-CB 3.3Å; P948-M951 PolarHBondContact O-N 3.43Å; F949-M951 PolarHBondContact O-N 3.15Å; M951-S953 VanDerWaalsContact C-N 3.27Å; M951-S953 PolarHBondContact O-N 3.4Å; M951-E954 PolarHBondContact O-N 3.45Å; M951-L955 HydrophobicContact CB-CD1 4.18Å; M951-L955 VanDerWaalsContact O-CG 3.27Å; M951-L955 WeakPolarHBondContact O-CG 3.35Å; M951-L955 PolarHBondContact O-N 2.88Å |
| 952 | V | 87.2 | Confident | 83.5 | Confident | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.006 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -57.8 | -40 | -175 | -178.5 | 0 | 0 | 0 | 0 | 111.6 | M947 F949 T950 E954 L955 V956 V967 T971 V981 A985 | M947-V952 HydrophobicContact CE-CG2 3.78Å; F949-V952 PolarHBondContact O-N 3.36Å; T950-V952 VanDerWaalsContact C-N 3.29Å; T950-V952 PolarHBondContact O-N 3.17Å; V952-E954 VanDerWaalsContact C-N 3.31Å; V952-E954 PolarHBondContact O-N 3.3Å; V952-L955 PolarHBondContact O-N 3.41Å; V952-V956 HydrophobicContact CG1-CG2 4.42Å; V952-V956 VanDerWaalsContact O-CG2 3.25Å; V952-V956 WeakPolarHBondContact O-CG2 3.32Å; V952-V956 PolarHBondContact O-N 3.48Å; V952-V956 VanDerWaalsContact O-N 3.09Å; V952-V967 HydrophobicContact CG1-CG1 4.3Å; V952-T971 HydrophobicContact CG1-CG2 4.16Å; V952-T971 HydrophobicContact CG2-CG2 3.94Å; V952-V981 HydrophobicContact CB-CG1 3.77Å; V952-V981 HydrophobicContact CG1-CG1 3.93Å; V952-V981 HydrophobicContact CG2-CG1 3.93Å; V952-A985 HydrophobicContact CG1-CB 4.04Å |
| 953 | S | 84.1 | Confident | 84.4 | Confident | 71 Ų | 71 | 37.9 Ų | 37.9 | 50% | 0.497 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -68 | -28.8 | 177.8 | 49.9 | 0 | 0 | 0 | 0 | 113.8 | T950 M951 | T950-S953 PolarHBondContact O-OG 3.26Å; M951-S953 VanDerWaalsContact C-N 3.27Å; M951-S953 PolarHBondContact O-N 3.4Å |
| 954 | E | 87.2 | Confident | 84.5 | Confident | 57 Ų | 57 | 38.6 Ų | 38.6 | 27% | 0.266 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -80.1 | -39.8 | 175.2 | -62.9 | -54.3 | 128.3 | 0 | 0 | 111.1 | L912 M951 V952 V956 K957 | L912-E954 HydrophobicContact CB-CB 4Å; M951-E954 PolarHBondContact O-N 3.45Å; V952-E954 VanDerWaalsContact C-N 3.31Å; V952-E954 PolarHBondContact O-N 3.3Å; E954-V956 VanDerWaalsContact C-N 3.32Å; E954-V956 PolarHBondContact O-N 3.19Å; E954-K957 VanDerWaalsContact O-CB 3.29Å; E954-K957 WeakPolarHBondContact O-CB 3.45Å; E954-K957 PolarHBondContact O-N 3.09Å; E954-K957 VanDerWaalsContact O-N 3.09Å; E954-K957 IonicContact OE1-NZ 2.72Å; E954-K957 PolarHBondContact OE1-NZ 3.05Å; E954-K957 WeakPolarHBondContact OE2-CE 3.37Å; E954-K957 IonicContact OE2-NZ 2.66Å; E954-K957 PolarHBondContact OE2-NZ 2.83Å |
| 955 | L | 86.4 | Confident | 84.5 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63 | -37.3 | 179 | -69.7 | 171.5 | 0 | 0 | 0 | 112.9 | L912 L928 M947 M951 V952 K957 L958 L961 I970 | L912-L955 HydrophobicContact CD1-CD2 3.43Å; L912-L955 VanDerWaalsContact CD1-CD2 3.43Å; L912-L955 HydrophobicContact CD1-CG 3.84Å; L912-L955 HydrophobicContact CD2-CD2 4.04Å; L912-L955 HydrophobicContact CG-CD2 4.4Å; L928-L955 HydrophobicContact CD1-CD1 3.47Å; L928-L955 VanDerWaalsContact CD1-CD1 3.47Å; L928-L955 HydrophobicContact CD1-CD2 3.17Å; L928-L955 HydrophobicContact CD1-CG 3.94Å; M947-L955 HydrophobicContact SD-CD1 3.93Å; M951-L955 HydrophobicContact CB-CD1 4.18Å; M951-L955 VanDerWaalsContact O-CG 3.27Å; M951-L955 WeakPolarHBondContact O-CG 3.35Å; M951-L955 PolarHBondContact O-N 2.88Å; V952-L955 PolarHBondContact O-N 3.41Å; L955-K957 PolarHBondContact O-N 3.18Å; L955-L958 HydrophobicContact CD2-CD1 4.37Å; L955-L958 VanDerWaalsContact O-CB 3.31Å; L955-L958 WeakPolarHBondContact O-CB 3.36Å; L955-L958 PolarHBondContact O-N 3.43Å; L955-L961 HydrophobicContact CB-CD1 4.24Å; L955-L961 HydrophobicContact CD2-CD1 3.77Å; L955-I970 HydrophobicContact CD1-CD1 3.89Å |
| 956 | V | 86.6 | Confident | 84.7 | Confident | 26 Ų | 26 | 40.4 Ų | 40.4 | 16% | 0.158 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -17 | 177.8 | 172.4 | 0 | 0 | 0 | 0 | 112.5 | V952 E954 L958 A962 V967 A985 L989 | V952-V956 HydrophobicContact CG1-CG2 4.42Å; V952-V956 VanDerWaalsContact O-CG2 3.25Å; V952-V956 WeakPolarHBondContact O-CG2 3.32Å; V952-V956 PolarHBondContact O-N 3.48Å; V952-V956 VanDerWaalsContact O-N 3.09Å; E954-V956 VanDerWaalsContact C-N 3.32Å; E954-V956 PolarHBondContact O-N 3.19Å; V956-L958 PolarHBondContact O-N 3.43Å; V956-A962 WeakPolarHBondContact O-CB 3.16Å; V956-V967 HydrophobicContact CG2-CG2 3.73Å; V956-A985 HydrophobicContact CG2-CB 4.12Å; V956-L989 HydrophobicContact CG1-CD2 3.66Å; V956-L989 HydrophobicContact CG1-CG 4.35Å |
| 957 | K | 86 | Confident | 84.9 | Confident | 137 Ų | 137 | 40.1 Ų | 40.1 | 60% | 0.596 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -18.1 | 170.9 | -57.3 | 176.6 | -171.5 | 168.4 | 0 | 112.2 | E954 L955 P959 | E954-K957 VanDerWaalsContact O-CB 3.29Å; E954-K957 WeakPolarHBondContact O-CB 3.45Å; E954-K957 PolarHBondContact O-N 3.09Å; E954-K957 VanDerWaalsContact O-N 3.09Å; E954-K957 IonicContact OE1-NZ 2.72Å; E954-K957 PolarHBondContact OE1-NZ 3.05Å; E954-K957 WeakPolarHBondContact OE2-CE 3.37Å; E954-K957 IonicContact OE2-NZ 2.66Å; E954-K957 PolarHBondContact OE2-NZ 2.83Å; L955-K957 PolarHBondContact O-N 3.18Å; K957-P959 WeakPolarHBondContact O-CD 3.37Å |
| 958 | L | 83.8 | Confident | 85 | Confident | 33 Ų | 33 | 39.9 Ų | 39.9 | 17% | 0.173 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -84.9 | 117.1 | 176.2 | -57.8 | 175 | 0 | 0 | 0 | 109.6 | L912 Q925 L955 V956 A960 L961 A962 | L912-L958 HydrophobicContact CD2-CD1 4.11Å; Q925-L958 HydrophobicContact CB-CD1 4.13Å; Q925-L958 HydrophobicContact CG-CD1 4.26Å; L955-L958 HydrophobicContact CD2-CD1 4.37Å; L955-L958 VanDerWaalsContact O-CB 3.31Å; L955-L958 WeakPolarHBondContact O-CB 3.36Å; L955-L958 PolarHBondContact O-N 3.43Å; V956-L958 PolarHBondContact O-N 3.43Å; L958-A960 PolarHBondContact O-N 3.42Å; L958-A960 VanDerWaalsContact O-N 3.08Å; L958-L961 HydrophobicContact CD1-CD1 4.21Å; L958-L961 PolarHBondContact O-N 2.97Å; L958-A962 PolarHBondContact O-N 3.02Å |
| 959 | P | 82.4 | Confident | 85 | Confident | 112 Ų | 112 | 39.9 Ų | 39.9 | 73% | 0.727 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -32.7 | -172.3 | -28.1 | 34.9 | 0 | 0 | 0 | 114.9 | K957 L961 A962 | K957-P959 WeakPolarHBondContact O-CD 3.37Å; P959-L961 VanDerWaalsContact C-N 3.32Å; P959-L961 PolarHBondContact O-N 2.87Å; P959-A962 PolarHBondContact O-N 2.91Å |
| 960 | A | 78.7 | Confident | 85.1 | Confident | 30 Ų | 30 | 39.2 Ų | 39.2 | 25% | 0.248 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -33.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q925 E929 L958 K963 | Q925-A960 HydrophobicContact CG-CB 4.46Å; E929-A960 VanDerWaalsContact OE1-CB 3.27Å; E929-A960 WeakPolarHBondContact OE1-CB 3.29Å; L958-A960 PolarHBondContact O-N 3.42Å; L958-A960 VanDerWaalsContact O-N 3.08Å; A960-K963 WeakPolarHBondContact O-CE 3.44Å |
| 961 | L | 81.9 | Confident | 85.2 | Confident | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95 | -11.8 | -179.2 | -63 | 178.2 | 0 | 0 | 0 | 113 | Q925 L928 E929 L955 L958 P959 K963 V966 | Q925-L961 HydrophobicContact CB-CD1 4.5Å; Q925-L961 HydrophobicContact CG-CD1 3.9Å; Q925-L961 HydrophobicContact CG-CG 3.93Å; L928-L961 HydrophobicContact CB-CD1 4.47Å; L928-L961 HydrophobicContact CD1-CD1 4.32Å; E929-L961 HydrophobicContact CG-CD2 3.71Å; L955-L961 HydrophobicContact CB-CD1 4.24Å; L955-L961 HydrophobicContact CD2-CD1 3.77Å; L958-L961 HydrophobicContact CD1-CD1 4.21Å; L958-L961 PolarHBondContact O-N 2.97Å; P959-L961 VanDerWaalsContact C-N 3.32Å; P959-L961 PolarHBondContact O-N 2.87Å; L961-K963 PolarHBondContact O-N 3.17Å; L961-V966 HydrophobicContact CB-CG1 4.25Å; L961-V966 HydrophobicContact CD2-CG1 3.71Å |
| 962 | A | 84.9 | Confident | 84.9 | Confident | 29 Ų | 29 | 39.5 Ų | 39.5 | 24% | 0.24 | 22% | 0.217 | C | C | . | . | trans | -71.2 | 46.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | V956 L958 P959 L989 | V956-A962 WeakPolarHBondContact O-CB 3.16Å; L958-A962 PolarHBondContact O-N 3.02Å; P959-A962 PolarHBondContact O-N 2.91Å; A962-L989 HydrophobicContact CB-CD2 3.77Å | ||
| 963 | K | 88.3 | Confident | 84.8 | Confident | 117 Ų | 117 | 40.1 Ų | 40.1 | 51% | 0.509 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -120.1 | 132.3 | -179.5 | -65.2 | 174.4 | -175 | 166.1 | 0 | 109 | A960 L961 K965 V966 V967 | A960-K963 WeakPolarHBondContact O-CE 3.44Å; L961-K963 PolarHBondContact O-N 3.17Å; K963-K965 VanDerWaalsContact C-N 3.26Å; K963-K965 PolarHBondContact O-N 3.46Å; K963-K965 VanDerWaalsContact O-N 3.14Å; K963-V966 HydrophobicContact CB-CB 4.22Å; K963-V966 HydrophobicContact CB-CG2 3.92Å; K963-V966 HydrophobicContact CD-CG2 4.37Å; K963-V966 WeakPolarHBondContact O-CB 3.45Å; K963-V966 PolarHBondContact O-N 3.41Å; K963-V967 PolarHBondContact O-N 3.35Å |
| 964 | P | 88.4 | Confident | 84.7 | Confident | 21 Ų | 21 | 43.5 Ų | 43.5 | 14% | 0.136 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -54.1 | -40.1 | -177.4 | -27.3 | 33.4 | 0 | 0 | 0 | 113.8 | T169 K170 A173 V966 V967 L968 I986 L989 | T169-P964 HydrophobicContact CG2-CB 4.37Å; T169-P964 HydrophobicContact CG2-CG 4.48Å; K170-P964 HydrophobicContact CB-CG 4.04Å; A173-P964 HydrophobicContact CB-CB 3.66Å; P964-V966 PolarHBondContact O-N 3.12Å; P964-V967 PolarHBondContact O-N 3.09Å; P964-L968 WeakPolarHBondContact O-CG 3.18Å; P964-L968 PolarHBondContact O-N 3.18Å; P964-I986 HydrophobicContact CB-CD1 4.36Å; P964-I986 HydrophobicContact CB-CG1 4.43Å; P964-I986 HydrophobicContact CB-CG2 4.1Å; P964-I986 HydrophobicContact CG-CG2 4.44Å; P964-L989 HydrophobicContact CG-CD1 3.99Å |
| 965 | K | 84.9 | Confident | 84.6 | Confident | 90 Ų | 90 | 43 Ų | 43 | 39% | 0.391 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -61.8 | -40.7 | 176.5 | -69.8 | -172.6 | 176.8 | -174.6 | 0 | 113 | T169 M225 K963 A969 | T169-K965 HydrophobicContact CG2-CG 4.05Å; M225-K965 HydrophobicContact CE-CG 4.39Å; K963-K965 VanDerWaalsContact C-N 3.26Å; K963-K965 PolarHBondContact O-N 3.46Å; K963-K965 VanDerWaalsContact O-N 3.14Å; K965-A969 WeakPolarHBondContact O-CB 3.35Å; K965-A969 PolarHBondContact O-N 3.44Å |
| 966 | V | 85.1 | Confident | 84.5 | Confident | 22 Ų | 22 | 46 Ų | 46 | 13% | 0.133 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -68.1 | -43.5 | 179.2 | 174.8 | 0 | 0 | 0 | 0 | 110 | V932 L961 K963 P964 L968 A969 I970 | V932-V966 HydrophobicContact CG2-CG1 4.35Å; L961-V966 HydrophobicContact CB-CG1 4.25Å; L961-V966 HydrophobicContact CD2-CG1 3.71Å; K963-V966 HydrophobicContact CB-CB 4.22Å; K963-V966 HydrophobicContact CB-CG2 3.92Å; K963-V966 HydrophobicContact CD-CG2 4.37Å; K963-V966 WeakPolarHBondContact O-CB 3.45Å; K963-V966 PolarHBondContact O-N 3.41Å; P964-V966 PolarHBondContact O-N 3.12Å; V966-L968 PolarHBondContact O-N 3.5Å; V966-A969 WeakPolarHBondContact O-CA 3.41Å; V966-A969 WeakPolarHBondContact O-CB 3.35Å; V966-A969 PolarHBondContact O-N 3.4Å; V966-I970 HydrophobicContact CG1-CG2 4.45Å; V966-I970 WeakPolarHBondContact O-CG1 3.34Å; V966-I970 PolarHBondContact O-N 3.35Å |
| 967 | V | 88.5 | Confident | 84.4 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.1 | -49.4 | 176.3 | 178.6 | 0 | 0 | 0 | 0 | 111 | V952 V956 K963 P964 A969 I970 T971 A982 A985 I986 L989 | V952-V967 HydrophobicContact CG1-CG1 4.3Å; V956-V967 HydrophobicContact CG2-CG2 3.73Å; K963-V967 PolarHBondContact O-N 3.35Å; P964-V967 PolarHBondContact O-N 3.09Å; V967-A969 PolarHBondContact O-N 3.42Å; V967-I970 WeakPolarHBondContact O-CG1 3.33Å; V967-I970 PolarHBondContact O-N 3.11Å; V967-T971 HydrophobicContact CG1-CG2 4.4Å; V967-T971 WeakPolarHBondContact O-CG2 3.26Å; V967-T971 PolarHBondContact O-N 2.87Å; V967-T971 VanDerWaalsContact O-N 3.13Å; V967-T971 PolarHBondContact O-OG1 3.25Å; V967-A982 HydrophobicContact CG1-CB 4.44Å; V967-A985 HydrophobicContact CG1-CB 3.74Å; V967-I986 HydrophobicContact CB-CD1 4.18Å; V967-I986 HydrophobicContact CB-CG1 3.87Å; V967-I986 HydrophobicContact CG1-CD1 4.13Å; V967-I986 HydrophobicContact CG1-CG1 3.74Å; V967-I986 HydrophobicContact CG2-CG1 4.43Å; V967-L989 HydrophobicContact CG2-CD1 4.41Å |
| 968 | L | 87.1 | Confident | 84.4 | Confident | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58.1 | -34.6 | 175.2 | -68.9 | -178.6 | 0 | 0 | 0 | 112.6 | A173 H176 I177 L226 P964 V966 T971 L973 A982 I986 | A173-L968 HydrophobicContact CB-CD1 3.66Å; A173-L968 HydrophobicContact CB-CG 4.15Å; H176-L968 HydrophobicContact CB-CD1 4.42Å; I177-L968 HydrophobicContact CD1-CD2 3.76Å; I177-L968 HydrophobicContact CG1-CD2 3.6Å; L226-L968 HydrophobicContact CD2-CB 3.59Å; L226-L968 HydrophobicContact CD2-CD1 4.39Å; L226-L968 HydrophobicContact CG-CB 4.48Å; P964-L968 WeakPolarHBondContact O-CG 3.18Å; P964-L968 PolarHBondContact O-N 3.18Å; V966-L968 PolarHBondContact O-N 3.5Å; L968-T971 PolarHBondContact O-OG1 3.07Å; L968-L973 HydrophobicContact CB-CD1 4.31Å; L968-L973 HydrophobicContact CD2-CD1 3.99Å; L968-L973 HydrophobicContact CD2-CD2 4.23Å; L968-A982 HydrophobicContact CD2-CB 4.5Å; L968-I986 HydrophobicContact CD2-CD1 3.6Å; L968-I986 HydrophobicContact CG-CD1 3.76Å |
| 969 | A | 83.6 | Confident | 84.7 | Confident | 8 Ų | 8 | 40.6 Ų | 40.6 | 7% | 0.066 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -74.4 | -36.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | L226 V932 L935 K965 V966 V967 | L226-A969 HydrophobicContact CD2-CB 4.25Å; V932-A969 HydrophobicContact CB-CB 4.5Å; V932-A969 HydrophobicContact CG1-CB 3.78Å; V932-A969 HydrophobicContact CG2-CB 4.02Å; L935-A969 HydrophobicContact CD1-CB 3.31Å; L935-A969 WeakPolarHBondContact CD1-O 3.45Å; K965-A969 WeakPolarHBondContact O-CB 3.35Å; K965-A969 PolarHBondContact O-N 3.44Å; V966-A969 WeakPolarHBondContact O-CA 3.41Å; V966-A969 WeakPolarHBondContact O-CB 3.35Å; V966-A969 PolarHBondContact O-N 3.4Å; V967-A969 PolarHBondContact O-N 3.42Å |
| 970 | I | 83.1 | Confident | 85.1 | Confident | 6 Ų | 6 | 39 Ų | 39 | 3% | 0.031 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -86.1 | -20.8 | 179.3 | 65.8 | 179 | 0 | 0 | 0 | 113.4 | V932 M947 L955 V966 V967 | V932-I970 HydrophobicContact CG2-CG2 3.38Å; M947-I970 HydrophobicContact CE-CB 3.96Å; M947-I970 HydrophobicContact CE-CD1 4.47Å; M947-I970 HydrophobicContact CE-CG1 4.2Å; M947-I970 WeakPolarHBondContact CE-O 3.2Å; M947-I970 HydrophobicContact SD-CB 4.4Å; L955-I970 HydrophobicContact CD1-CD1 3.89Å; V966-I970 HydrophobicContact CG1-CG2 4.45Å; V966-I970 WeakPolarHBondContact O-CG1 3.34Å; V966-I970 PolarHBondContact O-N 3.35Å; V967-I970 WeakPolarHBondContact O-CG1 3.33Å; V967-I970 PolarHBondContact O-N 3.11Å |
| 971 | T | 84.6 | Confident | 85.6 | Confident | 8 Ų | 8 | 38.3 Ų | 38.3 | 5% | 0.049 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -89 | 135.4 | 177.9 | 54.5 | 0 | 0 | 0 | 0 | 112.1 | V952 V967 L968 L973 V981 A982 | V952-T971 HydrophobicContact CG1-CG2 4.16Å; V952-T971 HydrophobicContact CG2-CG2 3.94Å; V967-T971 HydrophobicContact CG1-CG2 4.4Å; V967-T971 WeakPolarHBondContact O-CG2 3.26Å; V967-T971 PolarHBondContact O-N 2.87Å; V967-T971 VanDerWaalsContact O-N 3.13Å; V967-T971 PolarHBondContact O-OG1 3.25Å; L968-T971 PolarHBondContact O-OG1 3.07Å; T971-L973 PolarHBondContact O-N 3.48Å; T971-L973 WeakPolarHBondContact OG1-CD2 3.35Å; T971-V981 HydrophobicContact CG2-CG1 4.41Å; T971-A982 HydrophobicContact CG2-CB 4.05Å |
| 972 | D | 81.5 | Confident | 86 | Confident | 58 Ų | 58 | 38.2 Ų | 38.2 | 31% | 0.31 | 20% | 0.197 | S | C | . | . | trans | -73.8 | 97.3 | 170.8 | -175.4 | 3.5 | 0 | 0 | 0 | 111.5 | N974 L975 G978 | D972-N974 PolarHBondContact O-N 2.99Å; D972-N974 WeakPolarHBondContact OD1-CB 3.36Å; D972-N974 PolarHBondContact OD1-N 3.23Å; D972-N974 PolarHBondContact OD1-ND2 2.99Å; D972-L975 HydrophobicContact CB-CD1 4.49Å; D972-L975 PolarHBondContact O-N 3Å; D972-L975 WeakPolarHBondContact OD2-CD1 3.46Å; D972-G978 WeakPolarHBondContact O-CA 2.94Å | ||
| 973 | L | 84.4 | Confident | 86.4 | Confident | 15 Ų | 15 | 36.8 Ų | 36.8 | 8% | 0.079 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -8.7 | -178.3 | -57.9 | 176.9 | 0 | 0 | 0 | 113.9 | L180 L226 L968 T971 L975 R979 A982 | L180-L973 HydrophobicContact CD1-CB 3.64Å; L180-L973 HydrophobicContact CD1-CD1 3.85Å; L180-L973 HydrophobicContact CD1-CG 4.34Å; L226-L973 HydrophobicContact CD1-CD1 4.06Å; L968-L973 HydrophobicContact CB-CD1 4.31Å; L968-L973 HydrophobicContact CD2-CD1 3.99Å; L968-L973 HydrophobicContact CD2-CD2 4.23Å; T971-L973 PolarHBondContact O-N 3.48Å; T971-L973 WeakPolarHBondContact OG1-CD2 3.35Å; L973-L975 VanDerWaalsContact C-N 3.26Å; L973-R979 HydrophobicContact CB-CG 4.32Å; L973-R979 HydrophobicContact CD2-CG 4.32Å; L973-R979 WeakPolarHBondContact O-CD 3.43Å; L973-R979 WeakPolarHBondContact O-CG 3.4Å; L973-R979 PolarHBondContact O-NH1 2.96Å; L973-A982 HydrophobicContact CD2-CB 3.83Å |
| 974 | N | 82.6 | Confident | 86.6 | Confident | 141 Ų | 141 | 36.5 Ų | 36.5 | 75% | 0.754 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -30 | 173.9 | -61.2 | -50.1 | 0 | 0 | 0 | 111 | D972 R979 | D972-N974 PolarHBondContact O-N 2.99Å; D972-N974 WeakPolarHBondContact OD1-CB 3.36Å; D972-N974 PolarHBondContact OD1-N 3.23Å; D972-N974 PolarHBondContact OD1-ND2 2.99Å; N974-R979 PolarHBondContact O-NH1 3.49Å |
| 975 | L | 83.3 | Confident | 86.6 | Confident | 47 Ų | 47 | 36 Ų | 36 | 25% | 0.246 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -86.4 | 134.8 | 178.6 | -62.9 | 175.9 | 0 | 0 | 0 | 111.1 | Q887 F949 D972 L973 L977 G978 R979 | Q887-L975 HydrophobicContact CG-CD1 3.93Å; F949-L975 HydrophobicContact CZ-CD1 4.1Å; D972-L975 HydrophobicContact CB-CD1 4.49Å; D972-L975 PolarHBondContact O-N 3Å; D972-L975 WeakPolarHBondContact OD2-CD1 3.46Å; L973-L975 VanDerWaalsContact C-N 3.26Å; L975-L977 PolarHBondContact O-N 3.14Å; L975-G978 PolarHBondContact O-N 3.35Å; L975-R979 PolarHBondContact O-N 3.45Å; L975-R979 VanDerWaalsContact O-N 3.09Å |
| 976 | P | 85.3 | Confident | 87 | Confident | 64 Ų | 64 | 31.8 Ų | 31.8 | 42% | 0.416 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -54.9 | -38.2 | 174.1 | -25.8 | 33.2 | 0 | 0 | 0 | 113.1 | R979 R980 | P976-R979 PolarHBondContact O-N 2.94Å; P976-R980 WeakPolarHBondContact O-CG 3.19Å; P976-R980 PolarHBondContact O-N 3.11Å |
| 977 | L | 84.8 | Confident | 87.1 | Confident | 53 Ų | 53 | 30.7 Ų | 30.7 | 28% | 0.277 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -63.8 | -41.4 | 176.3 | -177.5 | 60.1 | 0 | 0 | 0 | 112 | M879 F949 L975 R980 V981 | M879-L977 HydrophobicContact SD-CD1 3.75Å; F949-L977 HydrophobicContact CD2-CD2 3.67Å; F949-L977 HydrophobicContact CD2-CG 4.1Å; F949-L977 HydrophobicContact CE2-CD2 3.74Å; F949-L977 HydrophobicContact CE2-CG 4.1Å; F949-L977 HydrophobicContact CG-CD2 4.46Å; L975-L977 PolarHBondContact O-N 3.14Å; L977-R980 WeakPolarHBondContact O-CB 3.45Å; L977-R980 PolarHBondContact O-N 3.05Å; L977-V981 HydrophobicContact CD1-CG2 4.45Å; L977-V981 VanDerWaalsContact O-CG2 3.32Å; L977-V981 WeakPolarHBondContact O-CG2 3.37Å; L977-V981 PolarHBondContact O-N 3.07Å |
| 978 | G | 86.3 | Confident | 86.9 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.4 | -39.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | F949 D972 L975 R980 V981 A982 | F949-G978 VanDerWaalsContact CE1-CA 3.4Å; D972-G978 WeakPolarHBondContact O-CA 2.94Å; L975-G978 PolarHBondContact O-N 3.35Å; G978-R980 PolarHBondContact O-N 3.25Å; G978-V981 PolarHBondContact O-N 3.38Å; G978-A982 WeakPolarHBondContact O-CB 3.44Å; G978-A982 PolarHBondContact O-N 3.17Å |
| 979 | R | 90.1 | Very high | 86.8 | Confident | 28 Ų | 28 | 36.3 Ų | 36.3 | 11% | 0.106 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.9 | -42.8 | 172.1 | -67.3 | -167.1 | -64.5 | -90.1 | 9.1 | 112.5 | I118 I177 E181 L973 N974 L975 P976 A982 A983 | I118-R979 HydrophobicContact CD1-CB 4.46Å; I177-R979 HydrophobicContact CG2-CB 4.02Å; I177-R979 HydrophobicContact CG2-CG 4.45Å; E181-R979 IonicContact OE2-CZ 3.23Å; E181-R979 VanDerWaalsContact OE2-CZ 3.24Å; E181-R979 IonicContact OE2-NE 3.34Å; E181-R979 PolarHBondContact OE2-NE 3.45Å; E181-R979 IonicContact OE2-NH2 3.18Å; E181-R979 PolarHBondContact OE2-NH2 3.33Å; L973-R979 HydrophobicContact CB-CG 4.32Å; L973-R979 HydrophobicContact CD2-CG 4.32Å; L973-R979 WeakPolarHBondContact O-CD 3.43Å; L973-R979 WeakPolarHBondContact O-CG 3.4Å; L973-R979 PolarHBondContact O-NH1 2.96Å; N974-R979 PolarHBondContact O-NH1 3.49Å; L975-R979 PolarHBondContact O-N 3.45Å; L975-R979 VanDerWaalsContact O-N 3.09Å; P976-R979 PolarHBondContact O-N 2.94Å; R979-A982 PolarHBondContact O-N 3.38Å; R979-A983 VanDerWaalsContact O-CB 3.31Å; R979-A983 WeakPolarHBondContact O-CB 3.34Å; R979-A983 PolarHBondContact O-N 3.33Å |
| 980 | R | 90.3 | Very high | 86.9 | Confident | 80 Ų | 80 | 37.7 Ų | 37.7 | 30% | 0.302 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -61.5 | -44.8 | 175.7 | -75.4 | 175.2 | -164.6 | -179.7 | -0.9 | 112.5 | A114 E115 I118 P976 L977 G978 A983 K984 | A114-R980 HydrophobicContact CB-CB 3.94Å; A114-R980 HydrophobicContact CB-CG 4.49Å; E115-R980 WeakPolarHBondContact OE1-CD 3.47Å; E115-R980 IonicContact OE1-CZ 3.06Å; E115-R980 IonicContact OE1-NE 3.36Å; E115-R980 PolarHBondContact OE1-NE 3.41Å; E115-R980 IonicContact OE1-NH1 2.68Å; E115-R980 PolarHBondContact OE1-NH1 2.66Å; E115-R980 IonicContact OE1-NH2 2.84Å; E115-R980 PolarHBondContact OE1-NH2 3.25Å; I118-R980 HydrophobicContact CD1-CG 4.35Å; I118-R980 HydrophobicContact CG1-CB 4.49Å; I118-R980 HydrophobicContact CG1-CG 3.82Å; P976-R980 WeakPolarHBondContact O-CG 3.19Å; P976-R980 PolarHBondContact O-N 3.11Å; L977-R980 WeakPolarHBondContact O-CB 3.45Å; L977-R980 PolarHBondContact O-N 3.05Å; G978-R980 PolarHBondContact O-N 3.25Å; R980-A983 PolarHBondContact O-N 3.01Å; R980-K984 WeakPolarHBondContact O-CB 3.47Å; R980-K984 PolarHBondContact O-N 3.4Å |
| 981 | V | 89.4 | Confident | 87.1 | Confident | 14 Ų | 14 | 39.4 Ų | 39.4 | 9% | 0.085 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.9 | -45.8 | 178.3 | 171.6 | 0 | 0 | 0 | 0 | 110.8 | M879 F949 V952 T971 L977 G978 K984 A985 | M879-V981 HydrophobicContact CE-CG2 3.91Å; F949-V981 HydrophobicContact CB-CG2 4.1Å; F949-V981 HydrophobicContact CD1-CB 4.34Å; F949-V981 HydrophobicContact CD1-CG1 4.46Å; F949-V981 HydrophobicContact CD1-CG2 4.12Å; F949-V981 HydrophobicContact CG-CG2 4.3Å; V952-V981 HydrophobicContact CB-CG1 3.77Å; V952-V981 HydrophobicContact CG1-CG1 3.93Å; V952-V981 HydrophobicContact CG2-CG1 3.93Å; T971-V981 HydrophobicContact CG2-CG1 4.41Å; L977-V981 HydrophobicContact CD1-CG2 4.45Å; L977-V981 VanDerWaalsContact O-CG2 3.32Å; L977-V981 WeakPolarHBondContact O-CG2 3.37Å; L977-V981 PolarHBondContact O-N 3.07Å; G978-V981 PolarHBondContact O-N 3.38Å; V981-K984 PolarHBondContact O-N 3.22Å; V981-A985 WeakPolarHBondContact O-CB 3.46Å; V981-A985 PolarHBondContact O-N 3.25Å |
| 982 | A | 90.6 | Very high | 87.3 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.6 | -46.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | I177 V967 L968 T971 L973 G978 R979 K984 A985 I986 | I177-A982 HydrophobicContact CD1-CB 3.77Å; I177-A982 HydrophobicContact CG1-CB 4.49Å; V967-A982 HydrophobicContact CG1-CB 4.44Å; L968-A982 HydrophobicContact CD2-CB 4.5Å; T971-A982 HydrophobicContact CG2-CB 4.05Å; L973-A982 HydrophobicContact CD2-CB 3.83Å; G978-A982 WeakPolarHBondContact O-CB 3.44Å; G978-A982 PolarHBondContact O-N 3.17Å; R979-A982 PolarHBondContact O-N 3.38Å; A982-K984 VanDerWaalsContact C-N 3.34Å; A982-K984 PolarHBondContact O-N 3.03Å; A982-A985 PolarHBondContact O-N 3.05Å; A982-I986 WeakPolarHBondContact O-CB 3.43Å; A982-I986 VanDerWaalsContact O-CG1 3.25Å; A982-I986 WeakPolarHBondContact O-CG1 3.45Å; A982-I986 PolarHBondContact O-N 3.33Å |
| 983 | A | 92.4 | Very high | 87.6 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.6 | -45 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | C117 I118 I177 R979 R980 S987 | C117-A983 HydrophobicContact CB-CB 4.03Å; I118-A983 HydrophobicContact CD1-CB 3.67Å; I118-A983 HydrophobicContact CG1-CB 4.21Å; I177-A983 HydrophobicContact CD1-CB 4.19Å; I177-A983 HydrophobicContact CG2-CB 4.45Å; R979-A983 VanDerWaalsContact O-CB 3.31Å; R979-A983 WeakPolarHBondContact O-CB 3.34Å; R979-A983 PolarHBondContact O-N 3.33Å; R980-A983 PolarHBondContact O-N 3.01Å; A983-S987 WeakPolarHBondContact O-CB 3.49Å; A983-S987 PolarHBondContact O-N 3.2Å; A983-S987 PolarHBondContact O-OG 2.83Å |
| 984 | K | 91.4 | Very high | 87.8 | Confident | 110 Ų | 110 | 41.7 Ų | 41.7 | 48% | 0.478 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -63.6 | -46 | 177.8 | -172.5 | -180 | -177.9 | -174.9 | 0 | 112.2 | R980 V981 A982 A988 | R980-K984 WeakPolarHBondContact O-CB 3.47Å; R980-K984 PolarHBondContact O-N 3.4Å; V981-K984 PolarHBondContact O-N 3.22Å; A982-K984 VanDerWaalsContact C-N 3.34Å; A982-K984 PolarHBondContact O-N 3.03Å; K984-A988 PolarHBondContact O-N 3.15Å |
| 985 | A | 90.1 | Very high | 88.2 | Confident | 12 Ų | 12 | 35.1 Ų | 35.1 | 10% | 0.099 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.1 | -48 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | V952 V956 V967 V981 A982 A988 L989 | V952-A985 HydrophobicContact CG1-CB 4.04Å; V956-A985 HydrophobicContact CG2-CB 4.12Å; V967-A985 HydrophobicContact CG1-CB 3.74Å; V981-A985 WeakPolarHBondContact O-CB 3.46Å; V981-A985 PolarHBondContact O-N 3.25Å; A982-A985 PolarHBondContact O-N 3.05Å; A985-A988 PolarHBondContact O-N 2.71Å; A985-L989 PolarHBondContact O-N 3Å |
| 986 | I | 91.7 | Very high | 88.5 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -70.2 | -34.6 | -178 | -64.8 | 176.5 | 0 | 0 | 0 | 111.7 | K170 A173 L174 I177 P964 V967 L968 A982 A988 L989 | K170-I986 WeakPolarHBondContact CD-O 3.37Å; K170-I986 HydrophobicContact CG-CG2 3.79Å; A173-I986 HydrophobicContact CB-CD1 3.86Å; A173-I986 HydrophobicContact CB-CG2 4.2Å; L174-I986 HydrophobicContact CD2-CB 4.01Å; L174-I986 HydrophobicContact CD2-CG2 3.69Å; L174-I986 HydrophobicContact CG-CG2 3.95Å; I177-I986 HydrophobicContact CD1-CD1 4.04Å; P964-I986 HydrophobicContact CB-CD1 4.36Å; P964-I986 HydrophobicContact CB-CG1 4.43Å; P964-I986 HydrophobicContact CB-CG2 4.1Å; P964-I986 HydrophobicContact CG-CG2 4.44Å; V967-I986 HydrophobicContact CB-CD1 4.18Å; V967-I986 HydrophobicContact CB-CG1 3.87Å; V967-I986 HydrophobicContact CG1-CD1 4.13Å; V967-I986 HydrophobicContact CG1-CG1 3.74Å; V967-I986 HydrophobicContact CG2-CG1 4.43Å; L968-I986 HydrophobicContact CD2-CD1 3.6Å; L968-I986 HydrophobicContact CG-CD1 3.76Å; A982-I986 WeakPolarHBondContact O-CB 3.43Å; A982-I986 VanDerWaalsContact O-CG1 3.25Å; A982-I986 WeakPolarHBondContact O-CG1 3.45Å; A982-I986 PolarHBondContact O-N 3.33Å; I986-A988 PolarHBondContact O-N 3.39Å; I986-L989 WeakPolarHBondContact O-CB 3.44Å; I986-L989 PolarHBondContact O-N 2.85Å |
| 987 | S | 88.4 | Confident | 88.8 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -69.5 | -17.4 | 176.7 | -59.3 | 0 | 0 | 0 | 0 | 113.5 | N109 C110 A983 | N109-S987 WeakPolarHBondContact CA-O 3.34Å; C110-S987 PolarHBondContact N-O 3.18Å; C110-S987 WeakPolarHBondContact O-CB 3.44Å; A983-S987 WeakPolarHBondContact O-CB 3.49Å; A983-S987 PolarHBondContact O-N 3.2Å; A983-S987 PolarHBondContact O-OG 2.83Å |
| 988 | A | 84.6 | Confident | 89.1 | Confident | 54 Ų | 54 | 30.2 Ų | 30.2 | 45% | 0.446 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -91.5 | -13.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | K984 A985 I986 | K984-A988 PolarHBondContact O-N 3.15Å; A985-A988 PolarHBondContact O-N 2.71Å; I986-A988 PolarHBondContact O-N 3.39Å |
| 989 | L | 83.8 | Confident | 89.4 | Confident | 64 Ų | 64 | 32.9 Ų | 32.9 | 34% | 0.335 | 17% | 0.168 | S | C | . | . | trans | -75.2 | 0 | 170.2 | -63.9 | 176.4 | 0 | 0 | 0 | 110.8 | K170 V956 A962 P964 V967 A985 I986 | K170-L989 WeakPolarHBondContact CD-OXT 3.17Å; K170-L989 PolarHBondContact NZ-OXT 2.96Å; V956-L989 HydrophobicContact CG1-CD2 3.66Å; V956-L989 HydrophobicContact CG1-CG 4.35Å; A962-L989 HydrophobicContact CB-CD2 3.77Å; P964-L989 HydrophobicContact CG-CD1 3.99Å; V967-L989 HydrophobicContact CG2-CD1 4.41Å; A985-L989 PolarHBondContact O-N 3Å; I986-L989 WeakPolarHBondContact O-CB 3.44Å; I986-L989 PolarHBondContact O-N 2.85Å |
Retrieved 989 of 989 residues in 572.7 ms
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