| 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 | 70.2 | Confident | 84.9 | Confident | 155 Ų | 155 | 111.5 Ų | 111.5 | 76% | 0.764 | 51% | 0.51 | S | S | * | . | 0 | -62.3 | 0 | -60.6 | -50.9 | -87.9 | 0 | 0 | 112.8 | E3 W4 R5 F380 | M1-E3 PolarHBondContact O-N 3.39Å; M1-W4 PolarHBondContact O-N 2.89Å; M1-R5 PolarHBondContact O-N 3.48Å; M1-F380 HydrophobicContact CE-CE1 3.55Å; M1-F380 HydrophobicContact CE-CZ 4.04Å; M1-F380 HydrophobicContact SD-CE1 3.73Å; M1-F380 HydrophobicContact SD-CZ 4.07Å | |||
| 2 | R | 81.6 | Confident | 85.1 | Confident | 214 Ų | 214 | 108.3 Ų | 108.3 | 81% | 0.808 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -54.5 | -51.4 | -176.2 | -169.6 | -179.2 | -67.6 | 158.5 | -1.5 | 113.7 | W4 R5 T6 | R2-W4 VanDerWaalsContact C-N 3.27Å; R2-W4 PolarHBondContact O-N 2.9Å; R2-R5 WeakPolarHBondContact O-CB 3.33Å; R2-R5 PolarHBondContact O-N 2.98Å; R2-R5 VanDerWaalsContact O-N 3.09Å; R2-T6 PolarHBondContact O-N 3.19Å; R2-T6 PolarHBondContact O-OG1 3.03Å |
| 3 | E | 85.1 | Confident | 85.1 | Confident | 163 Ų | 163 | 108.1 Ų | 108.1 | 76% | 0.762 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -56.7 | -37.9 | 178.6 | -63.2 | 168.1 | 168.6 | 0 | 0 | 113.4 | M1 T6 K7 | M1-E3 PolarHBondContact O-N 3.39Å; E3-T6 PolarHBondContact O-N 3.33Å; E3-K7 WeakPolarHBondContact O-CB 3.36Å; E3-K7 PolarHBondContact O-N 3.44Å |
| 4 | W | 83.3 | Confident | 85.2 | Confident | 127 Ų | 127 | 115.7 Ų | 115.7 | 48% | 0.481 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.9 | -39.3 | 177.2 | -81.8 | 97.2 | 0 | 0 | 0 | 112 | M1 R2 K7 I8 F380 | M1-W4 PolarHBondContact O-N 2.89Å; R2-W4 VanDerWaalsContact C-N 3.27Å; R2-W4 PolarHBondContact O-N 2.9Å; W4-K7 PolarHBondContact O-N 3.38Å; W4-I8 VanDerWaalsContact O-CG1 3.31Å; W4-I8 WeakPolarHBondContact O-CG1 3.5Å; W4-I8 PolarHBondContact O-N 3.42Å; W4-F380 HydrophobicContact CB-CD1 3.94Å; W4-F380 HydrophobicContact CB-CD2 4.5Å; W4-F380 HydrophobicContact CB-CE1 3.81Å; W4-F380 HydrophobicContact CB-CE2 4.39Å; W4-F380 HydrophobicContact CB-CG 4.28Å; W4-F380 HydrophobicContact CB-CZ 4.05Å; W4-F380 HydrophobicContact CG-CZ 4.49Å |
| 5 | R | 84.8 | Confident | 85.2 | Confident | 128 Ų | 128 | 118 Ų | 118 | 48% | 0.483 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.1 | -51.2 | 170.8 | -67.5 | -169.1 | 174.9 | -162 | -3.6 | 111.1 | M1 R2 K7 I8 Q9 F380 | M1-R5 PolarHBondContact O-N 3.48Å; R2-R5 WeakPolarHBondContact O-CB 3.33Å; R2-R5 PolarHBondContact O-N 2.98Å; R2-R5 VanDerWaalsContact O-N 3.09Å; R5-K7 VanDerWaalsContact C-N 3.26Å; R5-K7 PolarHBondContact O-N 2.83Å; R5-I8 PolarHBondContact O-N 3.32Å; R5-Q9 VanDerWaalsContact O-CB 3.3Å; R5-Q9 WeakPolarHBondContact O-CB 3.25Å; R5-Q9 PolarHBondContact O-N 3.21Å; R5-F380 HydrophobicContact CG-CB 4.11Å; R5-F380 HydrophobicContact CG-CD1 3.82Å; R5-F380 HydrophobicContact CG-CG 4.47Å |
| 6 | T | 88.1 | Confident | 84.8 | Confident | 90 Ų | 90 | 116.9 Ų | 116.9 | 55% | 0.552 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -57.8 | -38.6 | 178.2 | -51.6 | 0 | 0 | 0 | 0 | 112.4 | R2 E3 A10 | R2-T6 PolarHBondContact O-N 3.19Å; R2-T6 PolarHBondContact O-OG1 3.03Å; E3-T6 PolarHBondContact O-N 3.33Å; T6-A10 WeakPolarHBondContact O-CB 3.5Å; T6-A10 PolarHBondContact O-N 3.36Å |
| 7 | K | 89 | Confident | 84.2 | Confident | 115 Ų | 115 | 116.9 Ų | 116.9 | 50% | 0.5 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -68.1 | -45 | 176.8 | -175.1 | 178.1 | 178.6 | -178.9 | 0 | 112.5 | E3 W4 R5 A10 Q11 | E3-K7 WeakPolarHBondContact O-CB 3.36Å; E3-K7 PolarHBondContact O-N 3.44Å; W4-K7 PolarHBondContact O-N 3.38Å; R5-K7 VanDerWaalsContact C-N 3.26Å; R5-K7 PolarHBondContact O-N 2.83Å; K7-A10 PolarHBondContact O-N 2.99Å; K7-Q11 WeakPolarHBondContact O-CG 3.35Å; K7-Q11 PolarHBondContact O-N 3.45Å; K7-Q11 VanDerWaalsContact O-N 3.1Å |
| 8 | I | 87.7 | Confident | 83.3 | Confident | 13 Ų | 13 | 113.3 Ų | 113.3 | 7% | 0.067 | 54% | 0.544 | C | S | . | . | H | α-helix | trans | -66.5 | -44.2 | 178.3 | -67.3 | -58.8 | 0 | 0 | 0 | 110.6 | W4 R5 A10 Q11 I12 F380 A381 | W4-I8 VanDerWaalsContact O-CG1 3.31Å; W4-I8 WeakPolarHBondContact O-CG1 3.5Å; W4-I8 PolarHBondContact O-N 3.42Å; R5-I8 PolarHBondContact O-N 3.32Å; I8-A10 PolarHBondContact O-N 2.67Å; I8-Q11 WeakPolarHBondContact O-CB 3.46Å; I8-Q11 PolarHBondContact O-N 3.12Å; I8-Q11 VanDerWaalsContact O-N 3.08Å; I8-I12 HydrophobicContact CG2-CD1 3.88Å; I8-I12 WeakPolarHBondContact O-CG1 3.33Å; I8-I12 PolarHBondContact O-N 3.43Å; I8-F380 HydrophobicContact CB-CB 4.32Å; I8-F380 HydrophobicContact CG1-CB 4.06Å; I8-A381 HydrophobicContact CG2-CB 4.06Å |
| 9 | Q | 86.4 | Confident | 82.3 | Confident | 65 Ų | 65 | 116.2 Ų | 116.2 | 30% | 0.304 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -51.6 | -55.6 | 172.2 | -175.3 | 67.8 | 46.5 | 0 | 0 | 111.2 | R5 Q11 I12 D13 Y386 | R5-Q9 VanDerWaalsContact O-CB 3.3Å; R5-Q9 WeakPolarHBondContact O-CB 3.25Å; R5-Q9 PolarHBondContact O-N 3.21Å; Q9-Q11 PolarHBondContact O-N 2.93Å; Q9-Q11 VanDerWaalsContact O-N 3.14Å; Q9-I12 WeakPolarHBondContact O-CA 3.5Å; Q9-I12 PolarHBondContact O-N 3Å; Q9-D13 WeakPolarHBondContact CG-OD2 3.5Å; Q9-D13 PolarHBondContact NE2-OD1 2.82Å; Q9-D13 PolarHBondContact NE2-OD2 3.49Å; Q9-D13 PolarHBondContact O-N 3.41Å; Q9-Y386 VanDerWaalsContact CD-OH 3.3Å; Q9-Y386 VanDerWaalsContact NE2-CZ 3.28Å; Q9-Y386 PolarHBondContact NE2-OH 3.37Å; Q9-Y386 PolarHBondContact OE1-OH 3.19Å |
| 10 | A | 88.4 | Confident | 81.4 | Confident | 43 Ų | 43 | 118.8 Ų | 118.8 | 36% | 0.355 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.9 | -19.2 | -180 | 0 | 0 | 0 | 0 | 0 | 114.2 | T6 K7 I8 R14 | T6-A10 WeakPolarHBondContact O-CB 3.5Å; T6-A10 PolarHBondContact O-N 3.36Å; K7-A10 PolarHBondContact O-N 2.99Å; I8-A10 PolarHBondContact O-N 2.67Å; A10-R14 VanDerWaalsContact O-CB 3.3Å; A10-R14 WeakPolarHBondContact O-CB 3.44Å; A10-R14 WeakPolarHBondContact O-CD 3.3Å; A10-R14 VanDerWaalsContact O-CG 3.29Å; A10-R14 WeakPolarHBondContact O-CG 3.29Å; A10-R14 PolarHBondContact O-N 3Å |
| 11 | Q | 88.9 | Confident | 80.4 | Confident | 114 Ų | 114 | 121.3 Ų | 121.3 | 53% | 0.533 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -80.3 | -33.1 | 170.2 | -74.7 | -172.9 | -76.9 | 0 | 0 | 112.5 | K7 I8 Q9 F15 | K7-Q11 WeakPolarHBondContact O-CG 3.35Å; K7-Q11 PolarHBondContact O-N 3.45Å; K7-Q11 VanDerWaalsContact O-N 3.1Å; I8-Q11 WeakPolarHBondContact O-CB 3.46Å; I8-Q11 PolarHBondContact O-N 3.12Å; I8-Q11 VanDerWaalsContact O-N 3.08Å; Q9-Q11 PolarHBondContact O-N 2.93Å; Q9-Q11 VanDerWaalsContact O-N 3.14Å; Q11-F15 PolarHBondContact O-N 3.12Å; Q11-F15 VanDerWaalsContact O-N 3.14Å |
| 12 | I | 87.3 | Confident | 80.3 | Confident | 73 Ų | 73 | 115.2 Ų | 115.2 | 37% | 0.374 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -72.2 | -47.4 | 175.3 | -66.1 | 164.1 | 0 | 0 | 0 | 109.7 | I8 Q9 R14 F15 A381 Y386 | I8-I12 HydrophobicContact CG2-CD1 3.88Å; I8-I12 WeakPolarHBondContact O-CG1 3.33Å; I8-I12 PolarHBondContact O-N 3.43Å; Q9-I12 WeakPolarHBondContact O-CA 3.5Å; Q9-I12 PolarHBondContact O-N 3Å; I12-R14 PolarHBondContact O-N 2.99Å; I12-F15 WeakPolarHBondContact O-CB 3.4Å; I12-F15 PolarHBondContact O-N 3.46Å; I12-A381 HydrophobicContact CD1-CB 3.96Å; I12-Y386 WeakPolarHBondContact CB-OH 3.44Å; I12-Y386 WeakPolarHBondContact CD1-OH 3.44Å; I12-Y386 HydrophobicContact CG2-CE1 4.14Å; I12-Y386 WeakPolarHBondContact CG2-OH 3.28Å |
| 13 | D | 85.2 | Confident | 80.3 | Confident | 105 Ų | 105 | 109.2 Ų | 109.2 | 56% | 0.561 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -25.4 | 179.6 | -54.1 | -22.2 | 0 | 0 | 0 | 112.8 | Q9 | Q9-D13 WeakPolarHBondContact CG-OD2 3.5Å; Q9-D13 PolarHBondContact NE2-OD1 2.82Å; Q9-D13 PolarHBondContact NE2-OD2 3.49Å; Q9-D13 PolarHBondContact O-N 3.41Å |
| 14 | R | 87 | Confident | 80.2 | Confident | 215 Ų | 215 | 106.3 Ų | 106.3 | 81% | 0.811 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99 | 5.7 | 174.8 | -69.7 | 179 | 162.1 | -163.9 | -5.4 | 113.5 | A10 I12 | A10-R14 VanDerWaalsContact O-CB 3.3Å; A10-R14 WeakPolarHBondContact O-CB 3.44Å; A10-R14 WeakPolarHBondContact O-CD 3.3Å; A10-R14 VanDerWaalsContact O-CG 3.29Å; A10-R14 WeakPolarHBondContact O-CG 3.29Å; A10-R14 PolarHBondContact O-N 3Å; I12-R14 PolarHBondContact O-N 2.99Å |
| 15 | F | 84.4 | Confident | 80.4 | Confident | 150 Ų | 150 | 105 Ų | 105 | 66% | 0.658 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -65.5 | 127.3 | 178.7 | -169.2 | -90.5 | 0 | 0 | 0 | 108.8 | Q11 I12 I17 | Q11-F15 PolarHBondContact O-N 3.12Å; Q11-F15 VanDerWaalsContact O-N 3.14Å; I12-F15 WeakPolarHBondContact O-CB 3.4Å; I12-F15 PolarHBondContact O-N 3.46Å; F15-I17 PolarHBondContact O-N 3.39Å |
| 16 | P | 79.8 | Confident | 80.5 | Confident | 101 Ų | 101 | 101.4 Ų | 101.4 | 66% | 0.656 | 51% | 0.509 | S | S | * | . | trans | -67.2 | 108.6 | -172.9 | 26.2 | -34 | 0 | 0 | 0 | 110.7 | G18 | P16-G18 PolarHBondContact O-N 3.11Š| ||
| 17 | I | 73.6 | Confident | 80.6 | Confident | 117 Ų | 117 | 102.7 Ų | 102.7 | 60% | 0.6 | 51% | 0.51 | S | S | * | . | trans | -72.7 | 119.2 | 160.4 | -54.8 | 176.3 | 0 | 0 | 0 | 105.4 | F15 W24 | F15-I17 PolarHBondContact O-N 3.39Å; I17-W24 HydrophobicContact CG2-CB 4.35Å; I17-W24 HydrophobicContact CG2-CD2 4.35Å; I17-W24 HydrophobicContact CG2-CG 3.92Å | ||
| 18 | G | 69.1 | Low | 80.6 | Confident | 51 Ų | 51 | 101.5 Ų | 101.5 | 53% | 0.526 | 51% | 0.509 | S | S | . | . | trans | -59 | 146.8 | -172.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | P16 R20 | P16-G18 PolarHBondContact O-N 3.11Å; G18-R20 PolarHBondContact O-N 3.26Å | ||
| 19 | D | 64.4 | Low | 80.9 | Confident | 168 Ų | 168 | 102.9 Ų | 102.9 | 90% | 0.898 | 52% | 0.515 | S | S | * | . | S | Bend | trans | -64 | 14.8 | -167.5 | -50 | -57.1 | 0 | 0 | 0 | 116.2 | E21 | D19-E21 PolarHBondContact O-N 3.31Š|
| 20 | R | 63.8 | Low | 81.1 | Confident | 168 Ų | 168 | 105.6 Ų | 105.6 | 63% | 0.634 | 53% | 0.525 | S | S | * | . | trans | -80.9 | 61.4 | 172.8 | -51.3 | -172.2 | 84.9 | -152.4 | -0.9 | 109.2 | G18 G22 E23 | G18-R20 PolarHBondContact O-N 3.26Å; R20-G22 PolarHBondContact O-N 3.16Å; R20-E23 HydrophobicContact CB-CB 4.14Å; R20-E23 HydrophobicContact CB-CG 4.03Å; R20-E23 VanDerWaalsContact CD-OE2 3.3Å; R20-E23 WeakPolarHBondContact CD-OE2 3.35Å; R20-E23 IonicContact CZ-OE1 3.43Å; R20-E23 IonicContact CZ-OE2 3.59Å; R20-E23 IonicContact NE-OE1 3.83Å; R20-E23 IonicContact NE-OE2 2.77Å; R20-E23 PolarHBondContact NE-OE2 2.83Å; R20-E23 IonicContact NH1-OE1 3.3Å; R20-E23 PolarHBondContact NH1-OE1 3.03Å; R20-E23 IonicContact NH1-OE2 3.61Å; R20-E23 PolarHBondContact NH1-OE2 3.47Å; R20-E23 IonicContact NH2-OE1 2.69Å; R20-E23 PolarHBondContact NH2-OE1 3.04Å; R20-E23 IonicContact NH2-OE2 3.48Å; R20-E23 WeakPolarHBondContact O-CB 3.13Å; R20-E23 PolarHBondContact O-N 3.44Å | ||
| 21 | E | 59.4 | Low | 81.3 | Confident | 173 Ų | 173 | 105.2 Ų | 105.2 | 81% | 0.808 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.9 | 133.4 | 174.5 | -121.3 | 179 | 166.6 | 0 | 0 | 109.9 | D19 E23 | D19-E21 PolarHBondContact O-N 3.31Å; E21-E23 PolarHBondContact O-N 3.02Å |
| 22 | G | 69.5 | Low | 81.5 | Confident | 26 Ų | 26 | 101.8 Ų | 101.8 | 27% | 0.268 | 50% | 0.504 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.5 | -29.9 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | R20 T26 | R20-G22 PolarHBondContact O-N 3.16Å; G22-T26 VanDerWaalsContact O-CB 3.25Å; G22-T26 WeakPolarHBondContact O-CB 3.37Å; G22-T26 PolarHBondContact O-N 2.89Å; G22-T26 PolarHBondContact O-OG1 3.46Å |
| 23 | E | 80.1 | Confident | 81.8 | Confident | 89 Ų | 89 | 98.6 Ų | 98.6 | 42% | 0.416 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -72.6 | -48.6 | 178.5 | -72 | -161.6 | 157.9 | 0 | 0 | 112.4 | R20 E21 Q25 T26 M27 | R20-E23 HydrophobicContact CB-CB 4.14Å; R20-E23 HydrophobicContact CB-CG 4.03Å; R20-E23 VanDerWaalsContact CD-OE2 3.3Å; R20-E23 WeakPolarHBondContact CD-OE2 3.35Å; R20-E23 IonicContact CZ-OE1 3.43Å; R20-E23 IonicContact CZ-OE2 3.59Å; R20-E23 IonicContact NE-OE1 3.83Å; R20-E23 IonicContact NE-OE2 2.77Å; R20-E23 PolarHBondContact NE-OE2 2.83Å; R20-E23 IonicContact NH1-OE1 3.3Å; R20-E23 PolarHBondContact NH1-OE1 3.03Å; R20-E23 IonicContact NH1-OE2 3.61Å; R20-E23 PolarHBondContact NH1-OE2 3.47Å; R20-E23 IonicContact NH2-OE1 2.69Å; R20-E23 PolarHBondContact NH2-OE1 3.04Å; R20-E23 IonicContact NH2-OE2 3.48Å; R20-E23 WeakPolarHBondContact O-CB 3.13Å; R20-E23 PolarHBondContact O-N 3.44Å; E21-E23 PolarHBondContact O-N 3.02Å; E23-Q25 VanDerWaalsContact C-N 3.27Å; E23-Q25 PolarHBondContact O-N 3.49Å; E23-T26 PolarHBondContact O-N 3.14Å; E23-M27 WeakPolarHBondContact O-CB 3.46Å; E23-M27 PolarHBondContact O-N 3.2Å |
| 24 | W | 84 | Confident | 82.1 | Confident | 102 Ų | 102 | 95.3 Ų | 95.3 | 39% | 0.386 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65.7 | -34 | 175.7 | 63.7 | -97.7 | 0 | 0 | 0 | 111.1 | I17 M27 I28 | I17-W24 HydrophobicContact CG2-CB 4.35Å; I17-W24 HydrophobicContact CG2-CD2 4.35Å; I17-W24 HydrophobicContact CG2-CG 3.92Å; W24-M27 WeakPolarHBondContact O-CB 3.38Å; W24-M27 PolarHBondContact O-N 3.45Å; W24-I28 HydrophobicContact CE3-CD1 3.81Å; W24-I28 HydrophobicContact CZ3-CD1 4.12Å; W24-I28 WeakPolarHBondContact O-CG1 3.49Å; W24-I28 PolarHBondContact O-N 2.96Å |
| 25 | Q | 87.3 | Confident | 82.4 | Confident | 99 Ų | 99 | 88.7 Ų | 88.7 | 46% | 0.463 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -66.2 | -46.8 | 175 | -169.5 | 178.8 | 11.4 | 0 | 0 | 111.2 | E23 M27 I28 Q29 | E23-Q25 VanDerWaalsContact C-N 3.27Å; E23-Q25 PolarHBondContact O-N 3.49Å; Q25-M27 VanDerWaalsContact C-N 3.28Å; Q25-M27 PolarHBondContact O-N 2.95Å; Q25-I28 PolarHBondContact O-N 2.99Å; Q25-Q29 WeakPolarHBondContact O-CB 3.42Å; Q25-Q29 VanDerWaalsContact O-CG 3.26Å; Q25-Q29 WeakPolarHBondContact O-CG 3.42Å; Q25-Q29 PolarHBondContact O-N 2.82Å |
| 26 | T | 87.9 | Confident | 82.8 | Confident | 53 Ų | 53 | 82.5 Ų | 82.5 | 33% | 0.325 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -61 | -38 | 173.4 | -59.6 | 0 | 0 | 0 | 0 | 111.3 | G22 E23 Q29 K30 | G22-T26 VanDerWaalsContact O-CB 3.25Å; G22-T26 WeakPolarHBondContact O-CB 3.37Å; G22-T26 PolarHBondContact O-N 2.89Å; G22-T26 PolarHBondContact O-OG1 3.46Å; E23-T26 PolarHBondContact O-N 3.14Å; T26-Q29 PolarHBondContact O-N 3.31Å; T26-K30 HydrophobicContact CG2-CD 4.16Å; T26-K30 WeakPolarHBondContact O-CB 3.26Å; T26-K30 VanDerWaalsContact O-CG 3.29Å; T26-K30 WeakPolarHBondContact O-CG 3.5Å; T26-K30 PolarHBondContact O-N 3.5Å |
| 27 | M | 88.9 | Confident | 83.3 | Confident | 117 Ų | 117 | 78.4 Ų | 78.4 | 58% | 0.576 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -63 | -50 | 175.5 | -173.5 | -171.6 | -60.8 | 0 | 0 | 111.3 | E23 W24 Q25 Q29 K30 M31 | E23-M27 WeakPolarHBondContact O-CB 3.46Å; E23-M27 PolarHBondContact O-N 3.2Å; W24-M27 WeakPolarHBondContact O-CB 3.38Å; W24-M27 PolarHBondContact O-N 3.45Å; Q25-M27 VanDerWaalsContact C-N 3.28Å; Q25-M27 PolarHBondContact O-N 2.95Å; M27-Q29 VanDerWaalsContact C-N 3.34Å; M27-Q29 PolarHBondContact O-N 2.87Å; M27-K30 WeakPolarHBondContact O-CB 3.45Å; M27-K30 PolarHBondContact O-N 3.14Å; M27-M31 HydrophobicContact CG-SD 4.07Å; M27-M31 VanDerWaalsContact O-CG 3.25Å; M27-M31 WeakPolarHBondContact O-CG 3.13Å; M27-M31 PolarHBondContact O-N 3.43Å |
| 28 | I | 90.3 | Very high | 84.2 | Confident | 90 Ų | 90 | 73.3 Ų | 73.3 | 46% | 0.462 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.1 | -43.6 | 177 | -68.6 | 173.6 | 0 | 0 | 0 | 110.6 | W24 Q25 K30 M31 V32 | W24-I28 HydrophobicContact CE3-CD1 3.81Å; W24-I28 HydrophobicContact CZ3-CD1 4.12Å; W24-I28 WeakPolarHBondContact O-CG1 3.49Å; W24-I28 PolarHBondContact O-N 2.96Å; Q25-I28 PolarHBondContact O-N 2.99Å; I28-K30 VanDerWaalsContact C-N 3.34Å; I28-K30 PolarHBondContact O-N 3.47Å; I28-M31 WeakPolarHBondContact O-CB 3.45Å; I28-M31 PolarHBondContact O-N 3.18Å; I28-M31 VanDerWaalsContact O-N 3.13Å; I28-V32 HydrophobicContact CG2-CG2 4.26Å; I28-V32 WeakPolarHBondContact O-CG2 3.28Å; I28-V32 PolarHBondContact O-N 3.33Å |
| 29 | Q | 92.8 | Very high | 85.2 | Confident | 42 Ų | 42 | 73.8 Ų | 73.8 | 20% | 0.196 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -59 | -43.2 | 175.5 | -72.1 | 168.5 | -8.9 | 0 | 0 | 112 | Q25 T26 M27 M31 V32 S33 F48 T52 Q54 | Q25-Q29 WeakPolarHBondContact O-CB 3.42Å; Q25-Q29 VanDerWaalsContact O-CG 3.26Å; Q25-Q29 WeakPolarHBondContact O-CG 3.42Å; Q25-Q29 PolarHBondContact O-N 2.82Å; T26-Q29 PolarHBondContact O-N 3.31Å; M27-Q29 VanDerWaalsContact C-N 3.34Å; M27-Q29 PolarHBondContact O-N 2.87Å; Q29-M31 PolarHBondContact O-N 2.89Å; Q29-V32 PolarHBondContact O-N 3.45Å; Q29-S33 VanDerWaalsContact O-CB 3.28Å; Q29-S33 WeakPolarHBondContact O-CB 3.29Å; Q29-S33 PolarHBondContact O-N 3.13Å; Q29-F48 HydrophobicContact CB-CE1 4.25Å; Q29-F48 HydrophobicContact CB-CZ 4.24Å; Q29-F48 HydrophobicContact CG-CZ 4.17Å; Q29-F48 WeakPolarHBondContact O-CE1 3.47Å; Q29-T52 HydrophobicContact CG-CG2 3.97Å; Q29-Q54 HydrophobicContact CB-CG 4.21Å |
| 30 | K | 91.2 | Very high | 86.4 | Confident | 121 Ų | 121 | 66 Ų | 66 | 53% | 0.526 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.8 | -41.7 | 173.1 | -75.3 | 172 | 179.8 | 174.1 | 0 | 112.4 | T26 M27 I28 S34 | T26-K30 HydrophobicContact CG2-CD 4.16Å; T26-K30 WeakPolarHBondContact O-CB 3.26Å; T26-K30 VanDerWaalsContact O-CG 3.29Å; T26-K30 WeakPolarHBondContact O-CG 3.5Å; T26-K30 PolarHBondContact O-N 3.5Å; M27-K30 WeakPolarHBondContact O-CB 3.45Å; M27-K30 PolarHBondContact O-N 3.14Å; I28-K30 VanDerWaalsContact C-N 3.34Å; I28-K30 PolarHBondContact O-N 3.47Å; K30-S34 WeakPolarHBondContact O-CB 3.5Å; K30-S34 PolarHBondContact O-N 3.41Å |
| 31 | M | 92.4 | Very high | 87.7 | Confident | 35 Ų | 35 | 63.6 Ų | 63.6 | 17% | 0.172 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65.4 | -42.8 | 178.2 | -68.3 | 173.2 | 69.4 | 0 | 0 | 111.9 | M27 I28 Q29 Y35 P355 L356 A359 | M27-M31 HydrophobicContact CG-SD 4.07Å; M27-M31 VanDerWaalsContact O-CG 3.25Å; M27-M31 WeakPolarHBondContact O-CG 3.13Å; M27-M31 PolarHBondContact O-N 3.43Å; I28-M31 WeakPolarHBondContact O-CB 3.45Å; I28-M31 PolarHBondContact O-N 3.18Å; I28-M31 VanDerWaalsContact O-N 3.13Å; Q29-M31 PolarHBondContact O-N 2.89Å; M31-Y35 WeakPolarHBondContact O-CB 3.46Å; M31-Y35 PolarHBondContact O-N 2.85Å; M31-P355 HydrophobicContact CG-CB 4.18Å; M31-L356 HydrophobicContact CB-CB 4.4Å; M31-L356 HydrophobicContact CE-CB 4.29Å; M31-L356 HydrophobicContact CE-CD1 4Å; M31-A359 HydrophobicContact CE-CB 3.85Å |
| 32 | V | 93.6 | Very high | 89.1 | Confident | 43 Ų | 43 | 56 Ų | 56 | 26% | 0.261 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -66.8 | -49.3 | 175.8 | 172.7 | 0 | 0 | 0 | 0 | 110.9 | I28 Q29 S34 Y35 L36 F48 | I28-V32 HydrophobicContact CG2-CG2 4.26Å; I28-V32 WeakPolarHBondContact O-CG2 3.28Å; I28-V32 PolarHBondContact O-N 3.33Å; Q29-V32 PolarHBondContact O-N 3.45Å; V32-S34 PolarHBondContact O-N 3.5Å; V32-Y35 WeakPolarHBondContact O-CB 3.25Å; V32-Y35 PolarHBondContact O-N 3.3Å; V32-Y35 VanDerWaalsContact O-N 3.13Å; V32-L36 HydrophobicContact CG1-CD1 4.06Å; V32-L36 HydrophobicContact CG1-CG 4.34Å; V32-L36 WeakPolarHBondContact O-CG 3.3Å; V32-L36 PolarHBondContact O-N 3Å; V32-F48 HydrophobicContact CB-CE1 4.17Å; V32-F48 HydrophobicContact CB-CE2 4.44Å; V32-F48 HydrophobicContact CB-CZ 3.85Å; V32-F48 HydrophobicContact CG1-CD1 4.48Å; V32-F48 HydrophobicContact CG1-CD2 4.25Å; V32-F48 HydrophobicContact CG1-CE1 4.02Å; V32-F48 HydrophobicContact CG1-CE2 3.76Å; V32-F48 HydrophobicContact CG1-CZ 3.63Å |
| 33 | S | 92.6 | Very high | 90.1 | Very high | 6 Ų | 6 | 58.3 Ų | 58.3 | 4% | 0.042 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -56.7 | -47.9 | 176.6 | -179.1 | 0 | 0 | 0 | 0 | 111.6 | Q29 Y35 L36 V37 | Q29-S33 VanDerWaalsContact O-CB 3.28Å; Q29-S33 WeakPolarHBondContact O-CB 3.29Å; Q29-S33 PolarHBondContact O-N 3.13Å; S33-Y35 VanDerWaalsContact C-N 3.34Å; S33-Y35 PolarHBondContact O-N 2.9Å; S33-L36 PolarHBondContact O-N 2.73Å; S33-V37 WeakPolarHBondContact O-CG2 3.41Å; S33-V37 PolarHBondContact O-N 3.16Å |
| 34 | S | 91.3 | Very high | 90.8 | Very high | 36 Ų | 36 | 58 Ų | 58 | 25% | 0.252 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.9 | -39.3 | 175.8 | 178.6 | 0 | 0 | 0 | 0 | 112.8 | K30 V32 H38 P355 | K30-S34 WeakPolarHBondContact O-CB 3.5Å; K30-S34 PolarHBondContact O-N 3.41Å; V32-S34 PolarHBondContact O-N 3.5Å; S34-H38 WeakPolarHBondContact O-CB 3.44Å; S34-H38 PolarHBondContact O-N 2.94Å; S34-P355 VanDerWaalsContact OG-CD 3.31Å; S34-P355 WeakPolarHBondContact OG-CD 3.44Å |
| 35 | Y | 92.9 | Very high | 91.1 | Very high | 76 Ų | 76 | 53.2 Ų | 53.2 | 30% | 0.298 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.4 | -47.1 | 174.7 | -178.8 | -87.7 | 0 | 0 | 0 | 111.9 | M31 V32 S33 V37 H38 H39 Y41 P354 L356 | M31-Y35 WeakPolarHBondContact O-CB 3.46Å; M31-Y35 PolarHBondContact O-N 2.85Å; V32-Y35 WeakPolarHBondContact O-CB 3.25Å; V32-Y35 PolarHBondContact O-N 3.3Å; V32-Y35 VanDerWaalsContact O-N 3.13Å; S33-Y35 VanDerWaalsContact C-N 3.34Å; S33-Y35 PolarHBondContact O-N 2.9Å; Y35-V37 PolarHBondContact O-N 3.41Å; Y35-H38 PolarHBondContact O-N 3.45Å; Y35-H39 AromaticContact CD2-CD2 3.72Å; Y35-H39 AromaticContact CD2-NE2 3.89Å; Y35-H39 AromaticContact CE1-CD2 3.83Å; Y35-H39 AromaticContact CE2-CD2 3.39Å; Y35-H39 WeakPolarHBondContact CE2-CD2 3.31Å; Y35-H39 AromaticContact CE2-NE2 3.26Å; Y35-H39 VanDerWaalsContact CE2-NE2 3.26Å; Y35-H39 WeakPolarHBondContact CE2-NE2 3.34Å; Y35-H39 AromaticContact CZ-CD2 3.44Å; Y35-H39 VanDerWaalsContact CZ-CD2 3.44Å; Y35-H39 AromaticContact CZ-NE2 3.55Å; Y35-H39 PolarHBondContact O-CD2 2.87Å; Y35-H39 PolarHBondContact O-N 3.33Å; Y35-Y41 HydrophobicContact CE1-CE2 4.16Å; Y35-P354 HydrophobicContact CD2-CB 4.07Å; Y35-P354 HydrophobicContact CD2-CG 3.61Å; Y35-P354 HydrophobicContact CE2-CG 4.26Å; Y35-P354 HydrophobicContact CG-CG 4.5Å; Y35-L356 HydrophobicContact CD2-CB 4.46Å; Y35-L356 HydrophobicContact CD2-CD2 4.18Å; Y35-L356 HydrophobicContact CG-CD2 4.23Å |
| 36 | L | 93.1 | Very high | 91.3 | Very high | 20 Ų | 20 | 51.6 Ų | 51.6 | 11% | 0.105 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.8 | -44.1 | 179 | -65.9 | 172.9 | 0 | 0 | 0 | 111.7 | V32 S33 G40 Y41 T44 A45 F48 | V32-L36 HydrophobicContact CG1-CD1 4.06Å; V32-L36 HydrophobicContact CG1-CG 4.34Å; V32-L36 WeakPolarHBondContact O-CG 3.3Å; V32-L36 PolarHBondContact O-N 3Å; S33-L36 PolarHBondContact O-N 2.73Å; L36-G40 PolarHBondContact O-N 2.86Å; L36-G40 VanDerWaalsContact O-N 3.13Å; L36-Y41 HydrophobicContact CD2-CD2 3.84Å; L36-Y41 HydrophobicContact CD2-CG 4.38Å; L36-Y41 PolarHBondContact O-N 3.27Å; L36-T44 HydrophobicContact CD1-CG2 4.04Å; L36-T44 HydrophobicContact CD2-CG2 3.97Å; L36-A45 HydrophobicContact CB-CB 3.79Å; L36-F48 HydrophobicContact CD1-CB 3.96Å; L36-F48 HydrophobicContact CD1-CD1 4.46Å; L36-F48 HydrophobicContact CD1-CG 4.08Å |
| 37 | V | 91.9 | Very high | 91.6 | Very high | 14 Ų | 14 | 51.4 Ų | 51.4 | 9% | 0.085 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.2 | -45 | 176.6 | 174.5 | 0 | 0 | 0 | 0 | 111.4 | S33 Y35 H39 G40 A45 V56 E58 I63 R66 | S33-V37 WeakPolarHBondContact O-CG2 3.41Å; S33-V37 PolarHBondContact O-N 3.16Å; Y35-V37 PolarHBondContact O-N 3.41Å; V37-H39 PolarHBondContact O-N 3.36Å; V37-G40 PolarHBondContact O-N 2.66Å; V37-A45 HydrophobicContact CG2-CB 3.93Å; V37-V56 HydrophobicContact CG2-CG1 3.9Å; V37-V56 HydrophobicContact CG2-CG2 4.36Å; V37-E58 HydrophobicContact CG1-CB 3.98Å; V37-I63 HydrophobicContact CG1-CD1 3.96Å; V37-I63 HydrophobicContact CG1-CG1 4.37Å; V37-R66 PolarHBondContact O-NH2 3.05Å |
| 38 | H | 91.3 | Very high | 91.8 | Very high | 11 Ų | 11 | 48.3 Ų | 48.3 | 5% | 0.051 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.7 | -47.5 | -179.6 | -178.9 | -73.8 | 0 | 0 | 0 | 112.3 | S34 Y35 G40 R66 N341 L345 K352 P354 | S34-H38 WeakPolarHBondContact O-CB 3.44Å; S34-H38 PolarHBondContact O-N 2.94Å; Y35-H38 PolarHBondContact O-N 3.45Å; H38-G40 VanDerWaalsContact C-N 3.25Å; H38-G40 PolarHBondContact O-N 3.26Å; H38-R66 PolarHBondContact O-NH1 2.86Å; H38-N341 PolarHBondContact CE1-ND2 2.86Å; H38-N341 PolarHBondContact O-ND2 2.71Å; H38-L345 WeakPolarHBondContact CD2-CD1 3.46Å; H38-L345 WeakPolarHBondContact NE2-CD1 3.3Å; H38-K352 PolarHBondContact NE2-O 2.8Å; H38-P354 HydrophobicContact CB-CB 4.19Å; H38-P354 HydrophobicContact CB-CG 4.49Å |
| 39 | H | 90.4 | Very high | 91.9 | Very high | 61 Ų | 61 | 44.6 Ų | 44.6 | 28% | 0.282 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -4.6 | 177 | -75.4 | -85.1 | 0 | 0 | 0 | 114.2 | Y35 V37 Y41 | Y35-H39 AromaticContact CD2-CD2 3.72Å; Y35-H39 AromaticContact CD2-NE2 3.89Å; Y35-H39 AromaticContact CE1-CD2 3.83Å; Y35-H39 AromaticContact CE2-CD2 3.39Å; Y35-H39 WeakPolarHBondContact CE2-CD2 3.31Å; Y35-H39 AromaticContact CE2-NE2 3.26Å; Y35-H39 VanDerWaalsContact CE2-NE2 3.26Å; Y35-H39 WeakPolarHBondContact CE2-NE2 3.34Å; Y35-H39 AromaticContact CZ-CD2 3.44Å; Y35-H39 VanDerWaalsContact CZ-CD2 3.44Å; Y35-H39 AromaticContact CZ-NE2 3.55Å; Y35-H39 PolarHBondContact O-CD2 2.87Å; Y35-H39 PolarHBondContact O-N 3.33Å; V37-H39 PolarHBondContact O-N 3.36Å; H39-Y41 HydrophobicContact CB-CD2 3.77Å; H39-Y41 HydrophobicContact CB-CE2 3.41Å; H39-Y41 VanDerWaalsContact CB-CE2 3.41Å |
| 40 | G | 89.9 | Confident | 91.8 | Very high | 4 Ų | 4 | 50.9 Ų | 50.9 | 4% | 0.041 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.4 | 29.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | L36 V37 H38 C42 Q67 | L36-G40 PolarHBondContact O-N 2.86Å; L36-G40 VanDerWaalsContact O-N 3.13Å; V37-G40 PolarHBondContact O-N 2.66Å; H38-G40 VanDerWaalsContact C-N 3.25Å; H38-G40 PolarHBondContact O-N 3.26Å; G40-C42 PolarHBondContact O-N 3.01Å; G40-Q67 WeakPolarHBondContact O-CG 3.44Å; G40-Q67 PolarHBondContact O-NE2 2.72Å |
| 41 | Y | 91.4 | Very high | 91.9 | Very high | 117 Ų | 117 | 49.6 Ų | 49.6 | 46% | 0.459 | 27% | 0.268 | S | S | . | . | trans | -81.8 | 59.6 | 174.3 | -58.1 | -52.3 | 0 | 0 | 0 | 111.5 | Y35 L36 H39 A43 T44 A45 | Y35-Y41 HydrophobicContact CE1-CE2 4.16Å; L36-Y41 HydrophobicContact CD2-CD2 3.84Å; L36-Y41 HydrophobicContact CD2-CG 4.38Å; L36-Y41 PolarHBondContact O-N 3.27Å; H39-Y41 HydrophobicContact CB-CD2 3.77Å; H39-Y41 HydrophobicContact CB-CE2 3.41Å; H39-Y41 VanDerWaalsContact CB-CE2 3.41Å; Y41-A43 PolarHBondContact O-N 3.19Å; Y41-T44 PolarHBondContact O-N 3.05Å; Y41-A45 WeakPolarHBondContact O-CB 3.46Å; Y41-A45 PolarHBondContact O-N 3.42Å | ||
| 42 | C | 89.2 | Confident | 91.9 | Very high | 13 Ų | 13 | 49 Ų | 49 | 9% | 0.088 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -45.8 | -58.4 | -170.6 | -68.7 | 0 | 0 | 0 | 0 | 114.7 | G40 T44 A45 E46 I63 Q67 | G40-C42 PolarHBondContact O-N 3.01Å; C42-T44 VanDerWaalsContact C-N 3.3Å; C42-T44 PolarHBondContact O-N 3.09Å; C42-A45 WeakPolarHBondContact O-CB 3.39Å; C42-A45 PolarHBondContact O-N 3.38Å; C42-A45 VanDerWaalsContact O-N 3.16Å; C42-E46 WeakPolarHBondContact O-CB 3.21Å; C42-E46 WeakPolarHBondContact O-CG 3.21Å; C42-E46 PolarHBondContact O-N 2.89Å; C42-I63 WeakPolarHBondContact SG-CG2 3.34Å; C42-Q67 PolarHBondContact SG-NE2 2.78Å |
| 43 | A | 90.4 | Very high | 91.6 | Very high | 75 Ų | 75 | 54.4 Ų | 54.4 | 62% | 0.62 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -60.5 | -40.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112 | Y41 A47 | Y41-A43 PolarHBondContact O-N 3.19Å; A43-A47 WeakPolarHBondContact O-CB 3.34Å; A43-A47 PolarHBondContact O-N 2.85Å |
| 44 | T | 93.5 | Very high | 91.3 | Very high | 82 Ų | 82 | 55.3 Ų | 55.3 | 50% | 0.503 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -67.8 | -43.9 | 175.6 | -42.2 | 0 | 0 | 0 | 0 | 111.4 | L36 Y41 C42 E46 A47 F48 | L36-T44 HydrophobicContact CD1-CG2 4.04Å; L36-T44 HydrophobicContact CD2-CG2 3.97Å; Y41-T44 PolarHBondContact O-N 3.05Å; C42-T44 VanDerWaalsContact C-N 3.3Å; C42-T44 PolarHBondContact O-N 3.09Å; T44-E46 PolarHBondContact O-N 3.25Å; T44-A47 PolarHBondContact O-N 3.22Å; T44-F48 WeakPolarHBondContact O-CB 3.25Å; T44-F48 PolarHBondContact O-N 3.27Å |
| 45 | A | 91.6 | Very high | 90.9 | Very high | 3 Ų | 3 | 59 Ų | 59 | 3% | 0.025 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.7 | -44.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L36 V37 Y41 C42 A49 | L36-A45 HydrophobicContact CB-CB 3.79Å; V37-A45 HydrophobicContact CG2-CB 3.93Å; Y41-A45 WeakPolarHBondContact O-CB 3.46Å; Y41-A45 PolarHBondContact O-N 3.42Å; C42-A45 WeakPolarHBondContact O-CB 3.39Å; C42-A45 PolarHBondContact O-N 3.38Å; C42-A45 VanDerWaalsContact O-N 3.16Å; A45-A49 WeakPolarHBondContact O-CB 3.45Å; A45-A49 PolarHBondContact O-N 3Å |
| 46 | E | 90.3 | Very high | 90.2 | Very high | 64 Ų | 64 | 58.1 Ų | 58.1 | 30% | 0.299 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65.6 | -46.7 | 176.6 | -74.9 | -179 | -150.7 | 0 | 0 | 112.6 | C42 T44 F48 A49 R50 L60 | C42-E46 WeakPolarHBondContact O-CB 3.21Å; C42-E46 WeakPolarHBondContact O-CG 3.21Å; C42-E46 PolarHBondContact O-N 2.89Å; T44-E46 PolarHBondContact O-N 3.25Å; E46-F48 VanDerWaalsContact C-N 3.33Å; E46-F48 PolarHBondContact O-N 3.26Å; E46-A49 PolarHBondContact O-N 3.12Å; E46-R50 WeakPolarHBondContact O-CB 3.46Å; E46-R50 WeakPolarHBondContact O-CG 3.43Å; E46-R50 PolarHBondContact O-N 3.42Å; E46-R50 IonicContact OE2-NH1 3.31Å; E46-R50 PolarHBondContact OE2-NH1 3.17Å; E46-L60 HydrophobicContact CG-CD2 4.38Å; E46-L60 WeakPolarHBondContact OE1-CD2 3.45Å |
| 47 | A | 93.4 | Very high | 89.3 | Confident | 50 Ų | 50 | 64.6 Ų | 64.6 | 41% | 0.413 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.9 | -41.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | A43 T44 S51 | A43-A47 WeakPolarHBondContact O-CB 3.34Å; A43-A47 PolarHBondContact O-N 2.85Å; T44-A47 PolarHBondContact O-N 3.22Å; A47-S51 PolarHBondContact O-N 3.19Å; A47-S51 PolarHBondContact O-OG 2.96Å |
| 48 | F | 94.4 | Very high | 88.9 | Confident | 51 Ų | 51 | 64.7 Ų | 64.7 | 22% | 0.224 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -65.3 | -46.9 | 175.3 | -173.3 | -89.7 | 0 | 0 | 0 | 111.9 | Q29 V32 L36 T44 E46 R50 S51 T52 | Q29-F48 HydrophobicContact CB-CE1 4.25Å; Q29-F48 HydrophobicContact CB-CZ 4.24Å; Q29-F48 HydrophobicContact CG-CZ 4.17Å; Q29-F48 WeakPolarHBondContact O-CE1 3.47Å; V32-F48 HydrophobicContact CB-CE1 4.17Å; V32-F48 HydrophobicContact CB-CE2 4.44Å; V32-F48 HydrophobicContact CB-CZ 3.85Å; V32-F48 HydrophobicContact CG1-CD1 4.48Å; V32-F48 HydrophobicContact CG1-CD2 4.25Å; V32-F48 HydrophobicContact CG1-CE1 4.02Å; V32-F48 HydrophobicContact CG1-CE2 3.76Å; V32-F48 HydrophobicContact CG1-CZ 3.63Å; L36-F48 HydrophobicContact CD1-CB 3.96Å; L36-F48 HydrophobicContact CD1-CD1 4.46Å; L36-F48 HydrophobicContact CD1-CG 4.08Å; T44-F48 WeakPolarHBondContact O-CB 3.25Å; T44-F48 PolarHBondContact O-N 3.27Å; E46-F48 VanDerWaalsContact C-N 3.33Å; E46-F48 PolarHBondContact O-N 3.26Å; F48-R50 VanDerWaalsContact C-N 3.32Å; F48-R50 PolarHBondContact O-N 3.05Å; F48-S51 PolarHBondContact O-N 3.01Å; F48-S51 VanDerWaalsContact O-N 3.12Å; F48-S51 PolarHBondContact O-OG 3.1Å; F48-T52 HydrophobicContact CD1-CG2 4.44Å; F48-T52 WeakPolarHBondContact CD1-OG1 3.27Å; F48-T52 HydrophobicContact CE1-CG2 4.04Å; F48-T52 WeakPolarHBondContact CE1-OG1 3.39Å; F48-T52 HydrophobicContact CE2-CG2 4.16Å; F48-T52 HydrophobicContact CZ-CG2 3.9Å; F48-T52 PolarHBondContact O-N 3.12Å; F48-T52 PolarHBondContact O-OG1 2.83Å |
| 49 | A | 91.5 | Very high | 88.6 | Confident | 12 Ų | 12 | 71 Ų | 71 | 10% | 0.099 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -58.6 | -43.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | A45 E46 S51 T52 D53 Q54 V56 | A45-A49 WeakPolarHBondContact O-CB 3.45Å; A45-A49 PolarHBondContact O-N 3Å; E46-A49 PolarHBondContact O-N 3.12Å; A49-S51 VanDerWaalsContact C-N 3.35Å; A49-S51 PolarHBondContact O-N 3.08Å; A49-T52 PolarHBondContact O-N 3.44Å; A49-D53 WeakPolarHBondContact O-CA 3.2Å; A49-D53 PolarHBondContact O-N 3.13Å; A49-Q54 WeakPolarHBondContact CB-O 3.36Å; A49-Q54 PolarHBondContact O-N 3.42Å; A49-Q54 VanDerWaalsContact O-N 3.16Å; A49-V56 HydrophobicContact CB-CG2 3.95Å |
| 50 | R | 91.6 | Very high | 88.3 | Confident | 175 Ų | 175 | 71.9 Ų | 71.9 | 66% | 0.66 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -63.4 | -34.7 | 174.8 | -73.5 | -173.1 | -64.5 | -100.3 | 2.4 | 113.5 | E46 F48 | E46-R50 WeakPolarHBondContact O-CB 3.46Å; E46-R50 WeakPolarHBondContact O-CG 3.43Å; E46-R50 PolarHBondContact O-N 3.42Å; E46-R50 IonicContact OE2-NH1 3.31Å; E46-R50 PolarHBondContact OE2-NH1 3.17Å; F48-R50 VanDerWaalsContact C-N 3.32Å; F48-R50 PolarHBondContact O-N 3.05Å |
| 51 | S | 93.3 | Very high | 88.2 | Confident | 93 Ų | 93 | 73.8 Ų | 73.8 | 65% | 0.65 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -84.7 | -18.2 | -179.1 | 66.3 | 0 | 0 | 0 | 0 | 114.3 | A47 F48 A49 | A47-S51 PolarHBondContact O-N 3.19Å; A47-S51 PolarHBondContact O-OG 2.96Å; F48-S51 PolarHBondContact O-N 3.01Å; F48-S51 VanDerWaalsContact O-N 3.12Å; F48-S51 PolarHBondContact O-OG 3.1Å; A49-S51 VanDerWaalsContact C-N 3.35Å; A49-S51 PolarHBondContact O-N 3.08Å |
| 52 | T | 91.8 | Very high | 88.2 | Confident | 24 Ų | 24 | 69 Ų | 69 | 15% | 0.147 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -119.5 | 8.5 | -174.7 | 57.1 | 0 | 0 | 0 | 0 | 114.3 | Q29 F48 A49 Q54 | Q29-T52 HydrophobicContact CG-CG2 3.97Å; F48-T52 HydrophobicContact CD1-CG2 4.44Å; F48-T52 WeakPolarHBondContact CD1-OG1 3.27Å; F48-T52 HydrophobicContact CE1-CG2 4.04Å; F48-T52 WeakPolarHBondContact CE1-OG1 3.39Å; F48-T52 HydrophobicContact CE2-CG2 4.16Å; F48-T52 HydrophobicContact CZ-CG2 3.9Å; F48-T52 PolarHBondContact O-N 3.12Å; F48-T52 PolarHBondContact O-OG1 2.83Å; A49-T52 PolarHBondContact O-N 3.44Å; T52-Q54 PolarHBondContact O-N 2.71Å; T52-Q54 PolarHBondContact O-NE2 3.02Å; T52-Q54 VanDerWaalsContact O-NE2 3.11Å; T52-Q54 VanDerWaalsContact OG1-CG 3.25Å; T52-Q54 WeakPolarHBondContact OG1-CG 3.36Å |
| 53 | D | 88.2 | Confident | 88.3 | Confident | 156 Ų | 156 | 68.4 Ų | 68.4 | 83% | 0.834 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.4 | 42.7 | -176.6 | -157.5 | 27.8 | 0 | 0 | 0 | 113.3 | A49 | A49-D53 WeakPolarHBondContact O-CA 3.2Å; A49-D53 PolarHBondContact O-N 3.13Å |
| 54 | Q | 86.6 | Confident | 88.4 | Confident | 24 Ų | 24 | 70.7 Ų | 70.7 | 11% | 0.112 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -97.1 | 138.4 | -179.1 | -62.7 | -58.3 | -38.5 | 0 | 0 | 111.6 | Q29 A49 T52 | Q29-Q54 HydrophobicContact CB-CG 4.21Å; A49-Q54 WeakPolarHBondContact CB-O 3.36Å; A49-Q54 PolarHBondContact O-N 3.42Å; A49-Q54 VanDerWaalsContact O-N 3.16Å; T52-Q54 PolarHBondContact O-N 2.71Å; T52-Q54 PolarHBondContact O-NE2 3.02Å; T52-Q54 VanDerWaalsContact O-NE2 3.11Å; T52-Q54 VanDerWaalsContact OG1-CG 3.25Å; T52-Q54 WeakPolarHBondContact OG1-CG 3.36Å |
| 55 | T | 82.5 | Confident | 88.5 | Confident | 115 Ų | 115 | 69.3 Ų | 69.3 | 71% | 0.706 | 37% | 0.371 | S | S | * | . | P | Polyproline II helix | trans | -82.1 | 131.5 | 175.6 | 52.6 | 0 | 0 | 0 | 0 | 111.5 | ||
| 56 | V | 78.6 | Confident | 88.6 | Confident | 57 Ų | 57 | 69.2 Ų | 69.2 | 35% | 0.345 | 37% | 0.37 | S | S | . | . | P | Polyproline II helix | trans | -91.6 | 117.2 | 170.6 | 177.5 | 0 | 0 | 0 | 0 | 108.1 | V37 A49 E58 I63 | V37-V56 HydrophobicContact CG2-CG1 3.9Å; V37-V56 HydrophobicContact CG2-CG2 4.36Å; A49-V56 HydrophobicContact CB-CG2 3.95Å; V56-E58 WeakPolarHBondContact CG1-O 3.31Å; V56-I63 HydrophobicContact CG1-CD1 4.49Å |
| 57 | L | 73.9 | Confident | 88.8 | Confident | 155 Ų | 155 | 69.4 Ų | 69.4 | 81% | 0.812 | 37% | 0.371 | S | S | * | . | trans | -81.9 | -17.4 | -176.1 | -68.4 | 174.2 | 0 | 0 | 0 | 114.2 | ||||
| 58 | E | 82.8 | Confident | 89 | Confident | 17 Ų | 17 | 74.3 Ų | 74.3 | 8% | 0.079 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -104.8 | 138.5 | -176.1 | -169.2 | -179.1 | 166.2 | 0 | 0 | 111.5 | V37 V56 S62 I63 R66 L350 | V37-E58 HydrophobicContact CG1-CB 3.98Å; V56-E58 WeakPolarHBondContact CG1-O 3.31Å; E58-S62 VanDerWaalsContact OE1-CB 3.25Å; E58-S62 WeakPolarHBondContact OE1-CB 3.49Å; E58-S62 PolarHBondContact OE1-OG 3.45Å; E58-I63 HydrophobicContact CB-CD1 4.36Å; E58-I63 HydrophobicContact CB-CG1 4.16Å; E58-I63 HydrophobicContact CG-CG1 3.86Å; E58-I63 PolarHBondContact OE1-N 3.04Å; E58-R66 VanDerWaalsContact CD-NH2 3.31Å; E58-R66 IonicContact OE1-CZ 3.7Å; E58-R66 IonicContact OE1-NE 2.72Å; E58-R66 PolarHBondContact OE1-NE 2.91Å; E58-R66 IonicContact OE1-NH2 2.89Å; E58-R66 PolarHBondContact OE1-NH2 3.33Å; E58-R66 IonicContact OE2-CZ 2.66Å; E58-R66 IonicContact OE2-NE 3.01Å; E58-R66 IonicContact OE2-NH2 3.26Å; E58-R66 PolarHBondContact OE2-NH2 2.68Å; E58-L350 HydrophobicContact CB-CD1 4.17Å; E58-L350 HydrophobicContact CG-CD1 3.84Å |
| 59 | E | 84.6 | Confident | 89.1 | Confident | 144 Ų | 144 | 72 Ų | 72 | 67% | 0.673 | 37% | 0.369 | S | S | * | . | trans | -66.9 | 137.2 | 177 | -166.9 | -169.2 | 163.8 | 0 | 0 | 111.9 | A61 S62 I63 | E59-A61 HydrophobicContact CG-CB 4.29Å; E59-A61 PolarHBondContact O-N 2.89Å; E59-S62 WeakPolarHBondContact O-CB 3.43Å; E59-S62 PolarHBondContact O-N 3.32Å; E59-I63 PolarHBondContact O-N 3.13Å | ||
| 60 | L | 85.3 | Confident | 89.4 | Confident | 79 Ų | 79 | 72.7 Ų | 72.7 | 41% | 0.414 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -52.8 | -32.1 | 178.1 | -64.8 | 176.6 | 0 | 0 | 0 | 113.6 | E46 I63 K64 | E46-L60 HydrophobicContact CG-CD2 4.38Å; E46-L60 WeakPolarHBondContact OE1-CD2 3.45Å; L60-I63 HydrophobicContact CD2-CD1 4.46Å; L60-K64 WeakPolarHBondContact O-CB 3.36Å; L60-K64 VanDerWaalsContact O-CG 3.31Å; L60-K64 WeakPolarHBondContact O-CG 3.41Å; L60-K64 PolarHBondContact O-N 3.25Å |
| 61 | A | 87.9 | Confident | 89.6 | Confident | 43 Ų | 43 | 72.3 Ų | 72.3 | 36% | 0.355 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -65.1 | -43.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | E59 K64 N65 | E59-A61 HydrophobicContact CG-CB 4.29Å; E59-A61 PolarHBondContact O-N 2.89Å; A61-K64 PolarHBondContact O-N 3.4Å; A61-N65 WeakPolarHBondContact O-CB 3.28Å; A61-N65 PolarHBondContact O-N 3.41Å; A61-N65 PolarHBondContact O-ND2 3.5Å |
| 62 | S | 90.6 | Very high | 89.8 | Confident | 16 Ų | 16 | 68.6 Ų | 68.6 | 11% | 0.112 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.4 | -44.9 | 176 | 178.9 | 0 | 0 | 0 | 0 | 111.4 | E58 E59 K64 N65 R66 | E58-S62 VanDerWaalsContact OE1-CB 3.25Å; E58-S62 WeakPolarHBondContact OE1-CB 3.49Å; E58-S62 PolarHBondContact OE1-OG 3.45Å; E59-S62 WeakPolarHBondContact O-CB 3.43Å; E59-S62 PolarHBondContact O-N 3.32Å; S62-K64 VanDerWaalsContact C-N 3.34Å; S62-K64 PolarHBondContact O-N 2.85Å; S62-N65 WeakPolarHBondContact O-CB 3.49Å; S62-N65 PolarHBondContact O-N 3.43Å; S62-R66 WeakPolarHBondContact O-CG 3.45Å; S62-R66 PolarHBondContact O-N 3.21Å |
| 63 | I | 91.5 | Very high | 90.1 | Very high | 2 Ų | 2 | 67.5 Ų | 67.5 | 1% | 0.01 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62.3 | -43.5 | 179.2 | -48.5 | 168.8 | 0 | 0 | 0 | 110.5 | V37 C42 V56 E58 E59 L60 N65 R66 Q67 | V37-I63 HydrophobicContact CG1-CD1 3.96Å; V37-I63 HydrophobicContact CG1-CG1 4.37Å; C42-I63 WeakPolarHBondContact SG-CG2 3.34Å; V56-I63 HydrophobicContact CG1-CD1 4.49Å; E58-I63 HydrophobicContact CB-CD1 4.36Å; E58-I63 HydrophobicContact CB-CG1 4.16Å; E58-I63 HydrophobicContact CG-CG1 3.86Å; E58-I63 PolarHBondContact OE1-N 3.04Å; E59-I63 PolarHBondContact O-N 3.13Å; L60-I63 HydrophobicContact CD2-CD1 4.46Å; I63-N65 PolarHBondContact O-N 2.97Å; I63-R66 PolarHBondContact O-N 3.5Å; I63-Q67 WeakPolarHBondContact O-CG 3.2Å; I63-Q67 PolarHBondContact O-N 2.88Å |
| 64 | K | 92.3 | Very high | 90.4 | Very high | 122 Ų | 122 | 64 Ų | 64 | 53% | 0.53 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.9 | -37.7 | 175.5 | -74.6 | 175.8 | -179.4 | -180 | 0 | 113 | L60 A61 S62 R68 | L60-K64 WeakPolarHBondContact O-CB 3.36Å; L60-K64 VanDerWaalsContact O-CG 3.31Å; L60-K64 WeakPolarHBondContact O-CG 3.41Å; L60-K64 PolarHBondContact O-N 3.25Å; A61-K64 PolarHBondContact O-N 3.4Å; S62-K64 VanDerWaalsContact C-N 3.34Å; S62-K64 PolarHBondContact O-N 2.85Å; K64-R68 PolarHBondContact O-N 2.95Å |
| 65 | N | 95 | Very high | 90.8 | Very high | 54 Ų | 54 | 65.2 Ų | 65.2 | 29% | 0.289 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64 | -44.3 | 174.6 | -74.7 | -15.5 | 0 | 0 | 0 | 111.6 | A61 S62 I63 R68 I69 L88 Y89 | A61-N65 WeakPolarHBondContact O-CB 3.28Å; A61-N65 PolarHBondContact O-N 3.41Å; A61-N65 PolarHBondContact O-ND2 3.5Å; S62-N65 WeakPolarHBondContact O-CB 3.49Å; S62-N65 PolarHBondContact O-N 3.43Å; I63-N65 PolarHBondContact O-N 2.97Å; N65-R68 PolarHBondContact O-N 2.83Å; N65-I69 PolarHBondContact O-N 2.91Å; N65-L88 HydrophobicContact CB-CD1 3.92Å; N65-Y89 HydrophobicContact CB-CE2 4.45Å; N65-Y89 VanDerWaalsContact CB-OH 3.28Å; N65-Y89 WeakPolarHBondContact CB-OH 3.46Å |
| 66 | R | 95.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.3 | -47.2 | 174.5 | -66.7 | -173.5 | -56.6 | 96.3 | -6.1 | 112 | V37 H38 E58 S62 I63 R68 I69 Q70 N341 I344 | V37-R66 PolarHBondContact O-NH2 3.05Å; H38-R66 PolarHBondContact O-NH1 2.86Å; E58-R66 VanDerWaalsContact CD-NH2 3.31Å; E58-R66 IonicContact OE1-CZ 3.7Å; E58-R66 IonicContact OE1-NE 2.72Å; E58-R66 PolarHBondContact OE1-NE 2.91Å; E58-R66 IonicContact OE1-NH2 2.89Å; E58-R66 PolarHBondContact OE1-NH2 3.33Å; E58-R66 IonicContact OE2-CZ 2.66Å; E58-R66 IonicContact OE2-NE 3.01Å; E58-R66 IonicContact OE2-NH2 3.26Å; E58-R66 PolarHBondContact OE2-NH2 2.68Å; S62-R66 WeakPolarHBondContact O-CG 3.45Å; S62-R66 PolarHBondContact O-N 3.21Å; I63-R66 PolarHBondContact O-N 3.5Å; R66-R68 VanDerWaalsContact C-N 3.28Å; R66-R68 PolarHBondContact O-N 2.95Å; R66-I69 PolarHBondContact O-N 2.99Å; R66-I69 VanDerWaalsContact O-N 3.15Å; R66-Q70 WeakPolarHBondContact O-CB 3.26Å; R66-Q70 VanDerWaalsContact O-CG 3.29Å; R66-Q70 WeakPolarHBondContact O-CG 3.41Å; R66-Q70 PolarHBondContact O-N 2.88Å; R66-N341 WeakPolarHBondContact CD-OD1 3.28Å; R66-N341 PolarHBondContact NH1-OD1 3.07Å; R66-I344 HydrophobicContact CG-CB 4.45Å; R66-I344 HydrophobicContact CG-CG2 3.74Å |
| 67 | Q | 94.8 | Very high | 92.3 | Very high | 69 Ų | 69 | 61.7 Ų | 61.7 | 32% | 0.322 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -51.6 | -46.2 | 173.9 | -76.1 | 178.1 | -32.8 | 0 | 0 | 112 | G40 C42 I63 Q70 K71 | G40-Q67 WeakPolarHBondContact O-CG 3.44Å; G40-Q67 PolarHBondContact O-NE2 2.72Å; C42-Q67 PolarHBondContact SG-NE2 2.78Å; I63-Q67 WeakPolarHBondContact O-CG 3.2Å; I63-Q67 PolarHBondContact O-N 2.88Å; Q67-Q70 PolarHBondContact O-N 3.27Å; Q67-K71 VanDerWaalsContact O-CB 3.31Å; Q67-K71 WeakPolarHBondContact O-CB 3.31Å; Q67-K71 PolarHBondContact O-N 3.17Å |
| 68 | R | 96.4 | Very high | 93.4 | Very high | 153 Ų | 153 | 54.3 Ų | 54.3 | 58% | 0.577 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -60.2 | -46.8 | 179.4 | 178.9 | 177.8 | 174.1 | 155.8 | -1.3 | 111.7 | K64 N65 R66 K71 L72 T84 | K64-R68 PolarHBondContact O-N 2.95Å; N65-R68 PolarHBondContact O-N 2.83Å; R66-R68 VanDerWaalsContact C-N 3.28Å; R66-R68 PolarHBondContact O-N 2.95Å; R68-K71 PolarHBondContact O-N 3.19Å; R68-L72 WeakPolarHBondContact O-CG 3.43Å; R68-L72 PolarHBondContact O-N 2.67Å; R68-T84 HydrophobicContact CG-CG2 4.43Å |
| 69 | I | 97.2 | Very high | 93.9 | Very high | 2 Ų | 2 | 53.7 Ų | 53.7 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.6 | -47.6 | 178.7 | -67.5 | 166.7 | 0 | 0 | 0 | 110.7 | N65 R66 K71 L72 V73 T84 L88 Y89 L340 I344 | N65-I69 PolarHBondContact O-N 2.91Å; R66-I69 PolarHBondContact O-N 2.99Å; R66-I69 VanDerWaalsContact O-N 3.15Å; I69-K71 VanDerWaalsContact C-N 3.31Å; I69-K71 PolarHBondContact O-N 2.61Å; I69-L72 WeakPolarHBondContact O-CB 3.43Å; I69-L72 PolarHBondContact O-N 3.36Å; I69-L72 VanDerWaalsContact O-N 3.11Å; I69-V73 PolarHBondContact O-N 3.15Å; I69-T84 HydrophobicContact CD1-CG2 4.49Å; I69-T84 HydrophobicContact CG1-CG2 3.79Å; I69-L88 HydrophobicContact CD1-CD1 4.35Å; I69-Y89 HydrophobicContact CD1-CD2 3.88Å; I69-Y89 HydrophobicContact CD1-CE2 3.61Å; I69-L340 HydrophobicContact CG2-CD2 3.48Å; I69-L340 VanDerWaalsContact CG2-CD2 3.48Å; I69-L340 HydrophobicContact CG2-CG 4.19Å; I69-I344 HydrophobicContact CD1-CD1 3.9Å; I69-I344 HydrophobicContact CG2-CD1 4.47Å |
| 70 | Q | 96.7 | Very high | 94.5 | Very high | 27 Ų | 27 | 49.5 Ų | 49.5 | 13% | 0.126 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57.7 | -43.3 | 177.8 | -69.7 | 174.1 | -44.9 | 0 | 0 | 111.6 | R66 Q67 L72 V73 L74 N341 | R66-Q70 WeakPolarHBondContact O-CB 3.26Å; R66-Q70 VanDerWaalsContact O-CG 3.29Å; R66-Q70 WeakPolarHBondContact O-CG 3.41Å; R66-Q70 PolarHBondContact O-N 2.88Å; Q67-Q70 PolarHBondContact O-N 3.27Å; Q70-L72 VanDerWaalsContact C-N 3.32Å; Q70-L72 PolarHBondContact O-N 2.69Å; Q70-V73 PolarHBondContact O-N 3.08Å; Q70-L74 WeakPolarHBondContact O-CB 3.19Å; Q70-L74 VanDerWaalsContact O-CG 3.31Å; Q70-L74 WeakPolarHBondContact O-CG 3.39Å; Q70-L74 PolarHBondContact O-N 3.43Å; Q70-N341 VanDerWaalsContact NE2-CG 3.28Å; Q70-N341 PolarHBondContact NE2-OD1 2.92Å |
| 71 | K | 96 | Very high | 95.1 | Very high | 166 Ų | 166 | 45.7 Ų | 45.7 | 72% | 0.722 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -61.5 | -37.2 | 176.7 | -171 | 172.5 | -176.1 | 173.8 | 0 | 112.5 | Q67 R68 I69 A75 | Q67-K71 VanDerWaalsContact O-CB 3.31Å; Q67-K71 WeakPolarHBondContact O-CB 3.31Å; Q67-K71 PolarHBondContact O-N 3.17Å; R68-K71 PolarHBondContact O-N 3.19Å; I69-K71 VanDerWaalsContact C-N 3.31Å; I69-K71 PolarHBondContact O-N 2.61Å; K71-A75 WeakPolarHBondContact O-CB 3.31Å; K71-A75 PolarHBondContact O-N 3.22Å; K71-A75 VanDerWaalsContact O-N 3.08Å |
| 72 | L | 97.3 | Very high | 95.5 | Very high | 16 Ų | 16 | 43.8 Ų | 43.8 | 8% | 0.084 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -67.9 | -46 | 174.8 | -69.6 | 167.5 | 0 | 0 | 0 | 111.8 | R68 I69 Q70 A75 G76 R77 E80 A81 T84 | R68-L72 WeakPolarHBondContact O-CG 3.43Å; R68-L72 PolarHBondContact O-N 2.67Å; I69-L72 WeakPolarHBondContact O-CB 3.43Å; I69-L72 PolarHBondContact O-N 3.36Å; I69-L72 VanDerWaalsContact O-N 3.11Å; Q70-L72 VanDerWaalsContact C-N 3.32Å; Q70-L72 PolarHBondContact O-N 2.69Å; L72-A75 PolarHBondContact O-N 3.33Å; L72-G76 PolarHBondContact O-N 3.49Å; L72-R77 HydrophobicContact CD2-CB 4.16Å; L72-R77 PolarHBondContact O-N 3.49Å; L72-E80 HydrophobicContact CD1-CB 4.26Å; L72-E80 HydrophobicContact CD2-CB 4.18Å; L72-A81 HydrophobicContact CB-CB 3.8Å; L72-T84 HydrophobicContact CD1-CG2 4.45Å; L72-T84 WeakPolarHBondContact CD1-OG1 3.48Å |
| 73 | V | 97.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.5 | -49.9 | 177.1 | 175.9 | 0 | 0 | 0 | 0 | 111.2 | I69 Q70 A75 G76 M78 A81 R333 C337 L340 | I69-V73 PolarHBondContact O-N 3.15Å; Q70-V73 PolarHBondContact O-N 3.08Å; V73-A75 VanDerWaalsContact C-N 3.28Å; V73-A75 PolarHBondContact O-N 3.04Å; V73-G76 PolarHBondContact O-N 3.44Å; V73-M78 HydrophobicContact CB-SD 4.27Å; V73-M78 HydrophobicContact CG1-CE 4.42Å; V73-M78 HydrophobicContact CG1-SD 3.84Å; V73-M78 HydrophobicContact CG2-CE 4.42Å; V73-M78 HydrophobicContact CG2-SD 4.3Å; V73-A81 HydrophobicContact CG2-CB 3.61Å; V73-R333 WeakPolarHBondContact O-CD 3.47Å; V73-C337 HydrophobicContact CB-CB 4.29Å; V73-C337 HydrophobicContact CG1-CB 3.67Å; V73-L340 HydrophobicContact CG2-CD2 4.1Å |
| 74 | L | 95.9 | Very high | 96.1 | Very high | 82 Ų | 82 | 48.1 Ų | 48.1 | 43% | 0.429 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -67.4 | -28 | -178.7 | -65.8 | 174.2 | 0 | 0 | 0 | 112.7 | Q70 G76 R333 E334 C337 | Q70-L74 WeakPolarHBondContact O-CB 3.19Å; Q70-L74 VanDerWaalsContact O-CG 3.31Å; Q70-L74 WeakPolarHBondContact O-CG 3.39Å; Q70-L74 PolarHBondContact O-N 3.43Å; L74-G76 PolarHBondContact O-N 2.99Å; L74-R333 HydrophobicContact CD2-CB 4.29Å; L74-R333 WeakPolarHBondContact O-CD 3.45Å; L74-R333 PolarHBondContact O-NH1 2.89Å; L74-E334 HydrophobicContact CD2-CG 4.13Å; L74-C337 HydrophobicContact CD2-CB 4.12Å; L74-C337 HydrophobicContact CG-CB 4.48Å |
| 75 | A | 95.3 | Very high | 96.4 | Very high | 51 Ų | 51 | 42.3 Ų | 42.3 | 42% | 0.421 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -11.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 114 | K71 L72 V73 R77 | K71-A75 WeakPolarHBondContact O-CB 3.31Å; K71-A75 PolarHBondContact O-N 3.22Å; K71-A75 VanDerWaalsContact O-N 3.08Å; L72-A75 PolarHBondContact O-N 3.33Å; V73-A75 VanDerWaalsContact C-N 3.28Å; V73-A75 PolarHBondContact O-N 3.04Å; A75-R77 HydrophobicContact CB-CG 4.28Å |
| 76 | G | 95.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.8 | 10.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | L72 V73 L74 M78 E110 | L72-G76 PolarHBondContact O-N 3.49Å; V73-G76 PolarHBondContact O-N 3.44Å; L74-G76 PolarHBondContact O-N 2.99Å; G76-M78 VanDerWaalsContact C-N 3.26Å; G76-M78 PolarHBondContact O-N 2.9Å; G76-M78 VanDerWaalsContact O-N 3.12Å; G76-E110 WeakPolarHBondContact O-CB 3.28Å |
| 77 | R | 96 | Very high | 96.5 | Very high | 98 Ų | 98 | 51.1 Ų | 51.1 | 37% | 0.37 | 24% | 0.239 | S | C | . | . | trans | -88.7 | 65 | 178.7 | -60.8 | 172.2 | 72.3 | -165 | 5.7 | 109.2 | L72 A75 E80 A81 S117 | L72-R77 HydrophobicContact CD2-CB 4.16Å; L72-R77 PolarHBondContact O-N 3.49Å; A75-R77 HydrophobicContact CB-CG 4.28Å; R77-E80 IonicContact CZ-OE1 3.15Å; R77-E80 IonicContact CZ-OE2 3.1Å; R77-E80 VanDerWaalsContact CZ-OE2 3.3Å; R77-E80 IonicContact NE-OE1 2.85Å; R77-E80 PolarHBondContact NE-OE1 3.43Å; R77-E80 IonicContact NE-OE2 2.93Å; R77-E80 IonicContact NH1-OE2 2.99Å; R77-E80 IonicContact NH2-OE1 2.71Å; R77-E80 PolarHBondContact NH2-OE1 3.39Å; R77-E80 IonicContact NH2-OE2 2.66Å; R77-E80 PolarHBondContact NH2-OE2 3.06Å; R77-A81 WeakPolarHBondContact O-CB 3.46Å; R77-A81 PolarHBondContact O-N 3.44Å; R77-S117 PolarHBondContact NE-OG 3.02Å | ||
| 78 | M | 96.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -69.3 | -36.4 | -169.7 | -68 | -60.4 | -50.7 | 0 | 0 | 112.8 | V73 G76 A81 I82 L103 R106 Q107 E110 D116 V336 | V73-M78 HydrophobicContact CB-SD 4.27Å; V73-M78 HydrophobicContact CG1-CE 4.42Å; V73-M78 HydrophobicContact CG1-SD 3.84Å; V73-M78 HydrophobicContact CG2-CE 4.42Å; V73-M78 HydrophobicContact CG2-SD 4.3Å; G76-M78 VanDerWaalsContact C-N 3.26Å; G76-M78 PolarHBondContact O-N 2.9Å; G76-M78 VanDerWaalsContact O-N 3.12Å; M78-A81 PolarHBondContact O-N 3.03Å; M78-I82 VanDerWaalsContact O-CG1 3.28Å; M78-I82 WeakPolarHBondContact O-CG1 3.45Å; M78-I82 PolarHBondContact O-N 3.36Å; M78-L103 HydrophobicContact CE-CB 4.35Å; M78-L103 HydrophobicContact CE-CD2 3.61Å; M78-R106 HydrophobicContact CE-CB 4.06Å; M78-R106 HydrophobicContact CE-CG 4.05Å; M78-R106 HydrophobicContact CG-CG 4.01Å; M78-R106 HydrophobicContact SD-CB 4.45Å; M78-R106 HydrophobicContact SD-CG 3.81Å; M78-Q107 HydrophobicContact CB-CB 3.65Å; M78-Q107 HydrophobicContact CB-CG 3.92Å; M78-Q107 HydrophobicContact CG-CB 4.5Å; M78-E110 HydrophobicContact CG-CB 4.41Å; M78-E110 HydrophobicContact CG-CG 3.74Å; M78-D116 PolarHBondContact N-OD2 3.37Å; M78-V336 HydrophobicContact CE-CG1 4.13Å |
| 79 | G | 95.2 | Very high | 96.5 | Very high | 4 Ų | 4 | 44.3 Ų | 44.3 | 4% | 0.041 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -56.1 | -55.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A81 I82 E83 D116 | G79-A81 VanDerWaalsContact C-N 3.31Å; G79-A81 PolarHBondContact O-N 2.84Å; G79-I82 WeakPolarHBondContact O-CB 3.28Å; G79-I82 PolarHBondContact O-N 3.2Å; G79-I82 VanDerWaalsContact O-N 3.13Å; G79-E83 PolarHBondContact O-N 3.44Å; G79-D116 PolarHBondContact N-OD2 2.9Å |
| 80 | E | 96.3 | Very high | 96.3 | Very high | 55 Ų | 55 | 49 Ų | 49 | 26% | 0.257 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.3 | -32.7 | 177.3 | -73.2 | 176.5 | -105 | 0 | 0 | 113.5 | L72 R77 I82 T84 S117 | L72-E80 HydrophobicContact CD1-CB 4.26Å; L72-E80 HydrophobicContact CD2-CB 4.18Å; R77-E80 IonicContact CZ-OE1 3.15Å; R77-E80 IonicContact CZ-OE2 3.1Å; R77-E80 VanDerWaalsContact CZ-OE2 3.3Å; R77-E80 IonicContact NE-OE1 2.85Å; R77-E80 PolarHBondContact NE-OE1 3.43Å; R77-E80 IonicContact NE-OE2 2.93Å; R77-E80 IonicContact NH1-OE2 2.99Å; R77-E80 IonicContact NH2-OE1 2.71Å; R77-E80 PolarHBondContact NH2-OE1 3.39Å; R77-E80 IonicContact NH2-OE2 2.66Å; R77-E80 PolarHBondContact NH2-OE2 3.06Å; E80-I82 VanDerWaalsContact C-N 3.35Å; E80-T84 WeakPolarHBondContact O-CB 3.25Å; E80-T84 PolarHBondContact O-N 3.29Å; E80-T84 PolarHBondContact O-OG1 3.2Å; E80-S117 WeakPolarHBondContact OE1-CB 3.34Å; E80-S117 PolarHBondContact OE1-OG 3.4Å |
| 81 | A | 97.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.9 | -41.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L72 V73 R77 M78 G79 T85 | L72-A81 HydrophobicContact CB-CB 3.8Å; V73-A81 HydrophobicContact CG2-CB 3.61Å; R77-A81 WeakPolarHBondContact O-CB 3.46Å; R77-A81 PolarHBondContact O-N 3.44Å; M78-A81 PolarHBondContact O-N 3.03Å; G79-A81 VanDerWaalsContact C-N 3.31Å; G79-A81 PolarHBondContact O-N 2.84Å; A81-T85 WeakPolarHBondContact O-CB 3.4Å; A81-T85 PolarHBondContact O-N 2.89Å; A81-T85 PolarHBondContact O-OG1 2.95Å |
| 82 | I | 97.3 | Very high | 96.1 | Very high | 3 Ų | 3 | 42.5 Ų | 42.5 | 2% | 0.015 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.4 | -48.9 | 176.7 | -67.5 | 164.2 | 0 | 0 | 0 | 110.1 | M78 G79 E80 T85 Q86 L93 L100 L103 K104 | M78-I82 VanDerWaalsContact O-CG1 3.28Å; M78-I82 WeakPolarHBondContact O-CG1 3.45Å; M78-I82 PolarHBondContact O-N 3.36Å; G79-I82 WeakPolarHBondContact O-CB 3.28Å; G79-I82 PolarHBondContact O-N 3.2Å; G79-I82 VanDerWaalsContact O-N 3.13Å; E80-I82 VanDerWaalsContact C-N 3.35Å; I82-T85 WeakPolarHBondContact O-CB 3.42Å; I82-T85 PolarHBondContact O-N 3.15Å; I82-Q86 WeakPolarHBondContact O-CG 3.44Å; I82-Q86 PolarHBondContact O-N 3.06Å; I82-L93 HydrophobicContact CG2-CD1 3.92Å; I82-L100 HydrophobicContact CG2-CD1 4.31Å; I82-L103 HydrophobicContact CD1-CB 3.88Å; I82-L103 HydrophobicContact CG1-CB 3.94Å; I82-L103 HydrophobicContact CG1-CD1 4.36Å; I82-K104 HydrophobicContact CD1-CD 3.88Å; I82-K104 HydrophobicContact CD1-CG 4.21Å |
| 83 | E | 96.8 | Very high | 96 | Very high | 99 Ų | 99 | 42 Ų | 42 | 46% | 0.463 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -60.2 | -48.2 | 177.8 | -69.8 | 176.8 | -178.3 | 0 | 0 | 112.1 | G79 T85 Q86 Q87 | G79-E83 PolarHBondContact O-N 3.44Å; E83-T85 VanDerWaalsContact C-N 3.26Å; E83-T85 PolarHBondContact O-N 3.28Å; E83-Q86 PolarHBondContact O-N 3.36Å; E83-Q86 VanDerWaalsContact O-N 3.12Å; E83-Q87 VanDerWaalsContact O-CG 3.32Å; E83-Q87 WeakPolarHBondContact O-CG 3.43Å; E83-Q87 PolarHBondContact O-N 3.04Å |
| 84 | T | 97.5 | Very high | 95.8 | Very high | 10 Ų | 10 | 49 Ų | 49 | 6% | 0.061 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.5 | -37.7 | 177.2 | -57.8 | 0 | 0 | 0 | 0 | 111 | R68 I69 L72 E80 Q87 L88 | R68-T84 HydrophobicContact CG-CG2 4.43Å; I69-T84 HydrophobicContact CD1-CG2 4.49Å; I69-T84 HydrophobicContact CG1-CG2 3.79Å; L72-T84 HydrophobicContact CD1-CG2 4.45Å; L72-T84 WeakPolarHBondContact CD1-OG1 3.48Å; E80-T84 WeakPolarHBondContact O-CB 3.25Å; E80-T84 PolarHBondContact O-N 3.29Å; E80-T84 PolarHBondContact O-OG1 3.2Å; T84-Q87 PolarHBondContact O-N 3.46Å; T84-L88 HydrophobicContact CG2-CD1 3.64Å; T84-L88 HydrophobicContact CG2-CG 4.28Å; T84-L88 WeakPolarHBondContact O-CB 3.19Å; T84-L88 WeakPolarHBondContact O-CG 3.42Å; T84-L88 PolarHBondContact O-N 2.7Å |
| 85 | T | 97.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.4 | -44.6 | 174.6 | -58.9 | 0 | 0 | 0 | 0 | 111.4 | A81 I82 E83 Q87 L88 Y89 L92 L93 L340 | A81-T85 WeakPolarHBondContact O-CB 3.4Å; A81-T85 PolarHBondContact O-N 2.89Å; A81-T85 PolarHBondContact O-OG1 2.95Å; I82-T85 WeakPolarHBondContact O-CB 3.42Å; I82-T85 PolarHBondContact O-N 3.15Å; E83-T85 VanDerWaalsContact C-N 3.26Å; E83-T85 PolarHBondContact O-N 3.28Å; T85-Q87 VanDerWaalsContact C-N 3.32Å; T85-Q87 PolarHBondContact O-N 2.81Å; T85-L88 PolarHBondContact O-N 3.23Å; T85-Y89 CarbonylContact O-C 3.53Å; T85-Y89 WeakPolarHBondContact O-CA 3.27Å; T85-Y89 WeakPolarHBondContact O-CB 3.48Å; T85-Y89 PolarHBondContact O-N 2.86Å; T85-L92 HydrophobicContact CG2-CD2 4.3Å; T85-L93 HydrophobicContact CG2-CD1 4.12Å; T85-L93 HydrophobicContact CG2-CD2 4.36Å; T85-L93 HydrophobicContact CG2-CG 4.07Å; T85-L340 HydrophobicContact CG2-CD1 3.93Å |
| 86 | Q | 96.4 | Very high | 95.6 | Very high | 99 Ų | 99 | 55.3 Ų | 55.3 | 46% | 0.463 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65.7 | -34.7 | 179.2 | -70.4 | 172.1 | -32.8 | 0 | 0 | 112.5 | I82 E83 L93 | I82-Q86 WeakPolarHBondContact O-CG 3.44Å; I82-Q86 PolarHBondContact O-N 3.06Å; E83-Q86 PolarHBondContact O-N 3.36Å; E83-Q86 VanDerWaalsContact O-N 3.12Å; Q86-L93 HydrophobicContact CG-CD1 3.87Å |
| 87 | Q | 96.8 | Very high | 95.5 | Very high | 140 Ų | 140 | 57.6 Ų | 57.6 | 65% | 0.654 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -71.6 | -43.8 | 177 | -70.3 | 170.2 | 10.7 | 0 | 0 | 112.8 | E83 T84 T85 | E83-Q87 VanDerWaalsContact O-CG 3.32Å; E83-Q87 WeakPolarHBondContact O-CG 3.43Å; E83-Q87 PolarHBondContact O-N 3.04Å; T84-Q87 PolarHBondContact O-N 3.46Å; T85-Q87 VanDerWaalsContact C-N 3.32Å; T85-Q87 PolarHBondContact O-N 2.81Å |
| 88 | L | 95.9 | Very high | 95.4 | Very high | 62 Ų | 62 | 55.4 Ų | 55.4 | 33% | 0.325 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -86.6 | -28.2 | -175.8 | -62.3 | 176.8 | 0 | 0 | 0 | 113.3 | N65 I69 T84 T85 | N65-L88 HydrophobicContact CB-CD1 3.92Å; I69-L88 HydrophobicContact CD1-CD1 4.35Å; T84-L88 HydrophobicContact CG2-CD1 3.64Å; T84-L88 HydrophobicContact CG2-CG 4.28Å; T84-L88 WeakPolarHBondContact O-CB 3.19Å; T84-L88 WeakPolarHBondContact O-CG 3.42Å; T84-L88 PolarHBondContact O-N 2.7Å; T85-L88 PolarHBondContact O-N 3.23Å |
| 89 | Y | 95.2 | Very high | 95.4 | Very high | 17 Ų | 17 | 55.9 Ų | 55.9 | 7% | 0.067 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -133.4 | 70.6 | -176 | -54.9 | -68.1 | 0 | 0 | 0 | 110.4 | N65 I69 T85 L92 I344 H348 | N65-Y89 HydrophobicContact CB-CE2 4.45Å; N65-Y89 VanDerWaalsContact CB-OH 3.28Å; N65-Y89 WeakPolarHBondContact CB-OH 3.46Å; I69-Y89 HydrophobicContact CD1-CD2 3.88Å; I69-Y89 HydrophobicContact CD1-CE2 3.61Å; T85-Y89 CarbonylContact O-C 3.53Å; T85-Y89 WeakPolarHBondContact O-CA 3.27Å; T85-Y89 WeakPolarHBondContact O-CB 3.48Å; T85-Y89 PolarHBondContact O-N 2.86Å; Y89-L92 HydrophobicContact CG-CD1 4.3Å; Y89-L92 VanDerWaalsContact O-CB 3.26Å; Y89-L92 WeakPolarHBondContact O-CB 3.21Å; Y89-L92 PolarHBondContact O-N 2.77Å; Y89-I344 HydrophobicContact CD1-CG2 4.07Å; Y89-I344 HydrophobicContact CD2-CD1 4.1Å; Y89-I344 HydrophobicContact CD2-CG1 3.97Å; Y89-I344 HydrophobicContact CD2-CG2 3.98Å; Y89-I344 HydrophobicContact CE1-CG2 3.66Å; Y89-I344 HydrophobicContact CE2-CD1 3.97Å; Y89-I344 HydrophobicContact CE2-CG1 4.12Å; Y89-I344 HydrophobicContact CE2-CG2 3.55Å; Y89-I344 HydrophobicContact CG-CG1 4.48Å; Y89-I344 HydrophobicContact CG-CG2 4.21Å; Y89-H348 AromaticContact CD1-CE1 3.64Å; Y89-H348 AromaticContact CE1-CE1 3.42Å; Y89-H348 VanDerWaalsContact CE1-CE1 3.42Å; Y89-H348 WeakPolarHBondContact CE1-CE1 3.35Å |
| 90 | P | 93.5 | Very high | 95.4 | Very high | 100 Ų | 100 | 57.2 Ų | 57.2 | 65% | 0.649 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | 146.4 | -178.9 | 23.5 | -34 | 0 | 0 | 0 | 111.8 | L92 | P90-L92 PolarHBondContact O-N 3.17Š|
| 91 | S | 92.3 | Very high | 95.5 | Very high | 49 Ų | 49 | 54.6 Ų | 54.6 | 34% | 0.343 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | -0.8 | -174.1 | -58.3 | 0 | 0 | 0 | 0 | 118 | L93 E94 R95 | S91-L93 PolarHBondContact O-N 3.4Å; S91-E94 VanDerWaalsContact CA-OE2 3.23Å; S91-E94 WeakPolarHBondContact CA-OE2 3.2Å; S91-E94 WeakPolarHBondContact CB-OE2 3.22Å; S91-E94 PolarHBondContact O-N 2.93Å; S91-E94 PolarHBondContact OG-OE2 3.42Å; S91-R95 WeakPolarHBondContact O-CB 3.45Å; S91-R95 VanDerWaalsContact O-CG 3.25Å; S91-R95 WeakPolarHBondContact O-CG 3.36Å; S91-R95 PolarHBondContact O-N 3.42Å |
| 92 | L | 95.4 | Very high | 95.4 | Very high | 7 Ų | 7 | 56 Ų | 56 | 4% | 0.037 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.4 | -49.3 | 176.1 | -176 | 159.5 | 0 | 0 | 0 | 111.6 | T85 Y89 P90 N96 L99 L340 A343 I344 T347 | T85-L92 HydrophobicContact CG2-CD2 4.3Å; Y89-L92 HydrophobicContact CG-CD1 4.3Å; Y89-L92 VanDerWaalsContact O-CB 3.26Å; Y89-L92 WeakPolarHBondContact O-CB 3.21Å; Y89-L92 PolarHBondContact O-N 2.77Å; P90-L92 PolarHBondContact O-N 3.17Å; L92-N96 PolarHBondContact O-N 2.96Å; L92-L99 HydrophobicContact CD2-CD2 4.16Å; L92-L340 HydrophobicContact CD2-CD1 4.37Å; L92-A343 HydrophobicContact CD2-CB 4.16Å; L92-I344 HydrophobicContact CD1-CB 4.17Å; L92-I344 HydrophobicContact CD1-CG1 3.55Å; L92-T347 HydrophobicContact CB-CG2 4.36Å; L92-T347 HydrophobicContact CD1-CG2 3.94Å; L92-T347 HydrophobicContact CG-CG2 3.98Å |
| 93 | L | 95.3 | Very high | 95.4 | Very high | 6 Ų | 6 | 55.9 Ų | 55.9 | 3% | 0.031 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -76.1 | -25.3 | -179.8 | -62.8 | -177.3 | 0 | 0 | 0 | 113.1 | I82 T85 Q86 S91 N96 L99 L100 L103 | I82-L93 HydrophobicContact CG2-CD1 3.92Å; T85-L93 HydrophobicContact CG2-CD1 4.12Å; T85-L93 HydrophobicContact CG2-CD2 4.36Å; T85-L93 HydrophobicContact CG2-CG 4.07Å; Q86-L93 HydrophobicContact CG-CD1 3.87Å; S91-L93 PolarHBondContact O-N 3.4Å; L93-N96 CarbonylContact O-C 3.36Å; L93-L99 HydrophobicContact CD2-CD2 4.23Å; L93-L99 HydrophobicContact CD2-CG 4.31Å; L93-L100 HydrophobicContact CB-CB 4.26Å; L93-L100 HydrophobicContact CB-CD1 4.3Å; L93-L100 HydrophobicContact CD1-CD1 4Å; L93-L103 HydrophobicContact CD1-CD1 4.33Å; L93-L103 HydrophobicContact CD2-CD1 3.59Å |
| 94 | E | 92.6 | Very high | 95.5 | Very high | 146 Ų | 146 | 53.3 Ų | 53.3 | 68% | 0.682 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -69.2 | -42.7 | 173.9 | -59.5 | 175 | 158.8 | 0 | 0 | 111.1 | S91 N96 | S91-E94 VanDerWaalsContact CA-OE2 3.23Å; S91-E94 WeakPolarHBondContact CA-OE2 3.2Å; S91-E94 WeakPolarHBondContact CB-OE2 3.22Å; S91-E94 PolarHBondContact O-N 2.93Å; S91-E94 PolarHBondContact OG-OE2 3.42Å; E94-N96 VanDerWaalsContact C-N 3.28Å; E94-N96 PolarHBondContact O-N 3.17Å |
| 95 | R | 93.3 | Very high | 95.5 | Very high | 213 Ų | 213 | 52.9 Ų | 52.9 | 80% | 0.804 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -72.1 | -21.1 | 177 | -69.7 | 173.7 | -179.1 | -140.7 | 1.9 | 113.1 | S91 | S91-R95 WeakPolarHBondContact O-CB 3.45Å; S91-R95 VanDerWaalsContact O-CG 3.25Å; S91-R95 WeakPolarHBondContact O-CG 3.36Å; S91-R95 PolarHBondContact O-N 3.42Å |
| 96 | N | 94.4 | Very high | 95.5 | Very high | 54 Ų | 54 | 53.2 Ų | 53.2 | 29% | 0.289 | 27% | 0.265 | S | S | . | . | trans | -126.3 | 72.8 | -179.7 | -164.5 | -15.5 | 0 | 0 | 0 | 112 | L92 L93 E94 N98 L99 L100 | L92-N96 PolarHBondContact O-N 2.96Å; L93-N96 CarbonylContact O-C 3.36Å; E94-N96 VanDerWaalsContact C-N 3.28Å; E94-N96 PolarHBondContact O-N 3.17Å; N96-N98 VanDerWaalsContact C-N 3.25Å; N96-N98 PolarHBondContact O-N 3.46Å; N96-L99 HydrophobicContact CB-CB 4.11Å; N96-L99 VanDerWaalsContact CG-CB 3.46Å; N96-L99 WeakPolarHBondContact O-CB 3.31Å; N96-L99 PolarHBondContact O-N 2.93Å; N96-L99 VanDerWaalsContact O-N 3.09Å; N96-L99 WeakPolarHBondContact OD1-CB 3.32Å; N96-L99 PolarHBondContact OD1-N 2.62Å; N96-L100 PolarHBondContact O-N 3.27Å; N96-L100 VanDerWaalsContact O-N 3.09Å | ||
| 97 | P | 93.6 | Very high | 95.5 | Very high | 48 Ų | 48 | 48.5 Ų | 48.5 | 31% | 0.312 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -70.4 | -20.4 | -173.4 | 31 | -38.1 | 0 | 0 | 0 | 112.9 | F101 L293 | P97-F101 WeakPolarHBondContact O-CB 3.48Å; P97-F101 PolarHBondContact O-N 3.31Å; P97-L293 HydrophobicContact CB-CD2 3.95Å; P97-L293 HydrophobicContact CG-CD2 4.1Å |
| 98 | N | 94.1 | Very high | 95.6 | Very high | 51 Ų | 51 | 41.9 Ų | 41.9 | 27% | 0.273 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -70.3 | -37.6 | 171.1 | -74.1 | -77.9 | 0 | 0 | 0 | 112 | N96 T102 N300 N303 | N96-N98 VanDerWaalsContact C-N 3.25Å; N96-N98 PolarHBondContact O-N 3.46Å; N98-T102 WeakPolarHBondContact O-CB 3.34Å; N98-T102 PolarHBondContact O-N 2.96Å; N98-T102 PolarHBondContact O-OG1 3.12Å; N98-N300 PolarHBondContact OD1-ND2 2.83Å; N98-N300 VanDerWaalsContact OD1-ND2 3.15Å; N98-N303 PolarHBondContact OD1-ND2 3.45Å |
| 99 | L | 95.7 | Very high | 95.6 | Very high | 11 Ų | 11 | 39.1 Ų | 39.1 | 6% | 0.058 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -67.6 | -44.7 | 172.6 | 177 | 62.3 | 0 | 0 | 0 | 111 | L92 L93 N96 F101 T102 L103 A339 L340 A343 | L92-L99 HydrophobicContact CD2-CD2 4.16Å; L93-L99 HydrophobicContact CD2-CD2 4.23Å; L93-L99 HydrophobicContact CD2-CG 4.31Å; N96-L99 HydrophobicContact CB-CB 4.11Å; N96-L99 VanDerWaalsContact CG-CB 3.46Å; N96-L99 WeakPolarHBondContact O-CB 3.31Å; N96-L99 PolarHBondContact O-N 2.93Å; N96-L99 VanDerWaalsContact O-N 3.09Å; N96-L99 WeakPolarHBondContact OD1-CB 3.32Å; N96-L99 PolarHBondContact OD1-N 2.62Å; L99-F101 VanDerWaalsContact C-N 3.31Å; L99-F101 PolarHBondContact O-N 2.81Å; L99-T102 WeakPolarHBondContact O-CB 3.26Å; L99-T102 PolarHBondContact O-N 2.93Å; L99-T102 VanDerWaalsContact O-N 3.12Å; L99-L103 HydrophobicContact CD1-CD1 4.37Å; L99-L103 HydrophobicContact CD1-CG 4.34Å; L99-L103 HydrophobicContact CG-CD1 4.08Å; L99-L103 WeakPolarHBondContact O-CG 3.38Å; L99-L103 PolarHBondContact O-N 3.25Å; L99-A339 HydrophobicContact CD1-CB 4.11Å; L99-L340 HydrophobicContact CD2-CD1 4.18Å; L99-A343 HydrophobicContact CD2-CB 3.48Å; L99-A343 VanDerWaalsContact CD2-CB 3.48Å |
| 100 | L | 96.7 | Very high | 95.6 | Very high | 32 Ų | 32 | 38.3 Ų | 38.3 | 17% | 0.168 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -56.3 | -45.5 | 174.7 | 176.8 | 58.7 | 0 | 0 | 0 | 111.7 | I82 L93 N96 L103 K104 | I82-L100 HydrophobicContact CG2-CD1 4.31Å; L93-L100 HydrophobicContact CB-CB 4.26Å; L93-L100 HydrophobicContact CB-CD1 4.3Å; L93-L100 HydrophobicContact CD1-CD1 4Å; N96-L100 PolarHBondContact O-N 3.27Å; N96-L100 VanDerWaalsContact O-N 3.09Å; L100-L103 PolarHBondContact O-N 3.02Å; L100-K104 HydrophobicContact CD1-CG 4.16Å; L100-K104 WeakPolarHBondContact O-CB 3.49Å; L100-K104 WeakPolarHBondContact O-CG 3.49Å; L100-K104 PolarHBondContact O-N 3.24Å |
| 101 | F | 96.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.3 | -42.6 | 175.2 | -177.7 | -101 | 0 | 0 | 0 | 112.4 | P97 L99 L103 K104 V105 L286 M289 L293 N303 L307 | P97-F101 WeakPolarHBondContact O-CB 3.48Å; P97-F101 PolarHBondContact O-N 3.31Å; L99-F101 VanDerWaalsContact C-N 3.31Å; L99-F101 PolarHBondContact O-N 2.81Å; F101-L103 VanDerWaalsContact C-N 3.34Å; F101-L103 PolarHBondContact O-N 2.95Å; F101-K104 PolarHBondContact O-N 3.07Å; F101-V105 HydrophobicContact CD1-CG2 4.04Å; F101-V105 HydrophobicContact CE1-CG2 3.59Å; F101-V105 HydrophobicContact CE2-CG2 4.18Å; F101-V105 HydrophobicContact CZ-CG2 3.69Å; F101-V105 WeakPolarHBondContact O-CG2 3.43Å; F101-V105 PolarHBondContact O-N 3.48Å; F101-L286 HydrophobicContact CD2-CD1 3.95Å; F101-L286 HydrophobicContact CE2-CD1 3.68Å; F101-L286 HydrophobicContact CE2-CG 4.24Å; F101-L286 HydrophobicContact CZ-CD1 4.47Å; F101-M289 HydrophobicContact CB-SD 4.31Å; F101-M289 HydrophobicContact CD2-CB 4.44Å; F101-M289 HydrophobicContact CD2-CG 4.01Å; F101-M289 HydrophobicContact CD2-SD 3.92Å; F101-L293 HydrophobicContact CB-CD1 3.48Å; F101-L293 VanDerWaalsContact CB-CD1 3.48Å; F101-L293 HydrophobicContact CD1-CD1 4.48Å; F101-L293 HydrophobicContact CD2-CD1 3.86Å; F101-L293 HydrophobicContact CG-CD1 3.68Å; F101-N303 HydrophobicContact CD1-CB 3.93Å; F101-N303 HydrophobicContact CE1-CB 3.61Å; F101-L307 HydrophobicContact CZ-CB 4.17Å; F101-L307 HydrophobicContact CZ-CD1 4.1Å; F101-L307 HydrophobicContact CZ-CD2 4.31Å; F101-L307 HydrophobicContact CZ-CG 4.45Å |
| 102 | T | 97 | Very high | 95.7 | Very high | 29 Ų | 29 | 31.3 Ų | 31.3 | 18% | 0.178 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -58.7 | -44.8 | 175.8 | -60.9 | 0 | 0 | 0 | 0 | 111.5 | N98 L99 R106 M306 V336 | N98-T102 WeakPolarHBondContact O-CB 3.34Å; N98-T102 PolarHBondContact O-N 2.96Å; N98-T102 PolarHBondContact O-OG1 3.12Å; L99-T102 WeakPolarHBondContact O-CB 3.26Å; L99-T102 PolarHBondContact O-N 2.93Å; L99-T102 VanDerWaalsContact O-N 3.12Å; T102-R106 PolarHBondContact O-N 3.23Å; T102-M306 HydrophobicContact CG2-CE 3.99Å; T102-M306 HydrophobicContact CG2-SD 4.47Å; T102-V336 HydrophobicContact CG2-CG1 4.49Å; T102-V336 HydrophobicContact CG2-CG2 4.22Å |
| 103 | L | 97.7 | Very high | 95.6 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.1 | -42.9 | 175.1 | -68.4 | 164.8 | 0 | 0 | 0 | 111.9 | M78 I82 L93 L99 L100 F101 R106 Q107 V336 L340 | M78-L103 HydrophobicContact CE-CB 4.35Å; M78-L103 HydrophobicContact CE-CD2 3.61Å; I82-L103 HydrophobicContact CD1-CB 3.88Å; I82-L103 HydrophobicContact CG1-CB 3.94Å; I82-L103 HydrophobicContact CG1-CD1 4.36Å; L93-L103 HydrophobicContact CD1-CD1 4.33Å; L93-L103 HydrophobicContact CD2-CD1 3.59Å; L99-L103 HydrophobicContact CD1-CD1 4.37Å; L99-L103 HydrophobicContact CD1-CG 4.34Å; L99-L103 HydrophobicContact CG-CD1 4.08Å; L99-L103 WeakPolarHBondContact O-CG 3.38Å; L99-L103 PolarHBondContact O-N 3.25Å; L100-L103 PolarHBondContact O-N 3.02Å; F101-L103 VanDerWaalsContact C-N 3.34Å; F101-L103 PolarHBondContact O-N 2.95Å; L103-R106 PolarHBondContact O-N 3.47Å; L103-Q107 PolarHBondContact O-N 2.8Å; L103-V336 HydrophobicContact CD2-CG1 3.5Å; L103-V336 VanDerWaalsContact CD2-CG1 3.5Å; L103-V336 HydrophobicContact CG-CG1 4.36Å; L103-L340 HydrophobicContact CD1-CD1 4.31Å; L103-L340 HydrophobicContact CD1-CD2 4.41Å; L103-L340 HydrophobicContact CD2-CD2 3.97Å |
| 104 | K | 97.6 | Very high | 95.3 | Very high | 44 Ų | 44 | 32.9 Ų | 32.9 | 19% | 0.191 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -70.1 | -36.2 | 178.9 | -72.2 | -73.1 | 178.2 | -172.1 | 0 | 113 | I82 L100 F101 R106 Q107 F108 F282 L286 M289 | I82-K104 HydrophobicContact CD1-CD 3.88Å; I82-K104 HydrophobicContact CD1-CG 4.21Å; L100-K104 HydrophobicContact CD1-CG 4.16Å; L100-K104 WeakPolarHBondContact O-CB 3.49Å; L100-K104 WeakPolarHBondContact O-CG 3.49Å; L100-K104 PolarHBondContact O-N 3.24Å; F101-K104 PolarHBondContact O-N 3.07Å; K104-R106 VanDerWaalsContact C-N 3.35Å; K104-Q107 WeakPolarHBondContact O-CB 3.29Å; K104-Q107 PolarHBondContact O-N 2.77Å; K104-F108 PolarHBondContact O-N 3.43Å; K104-F282 HydrophobicContact CB-CZ 4.16Å; K104-F282 HydrophobicContact CD-CE2 3.85Å; K104-F282 HydrophobicContact CD-CZ 3.48Å; K104-F282 VanDerWaalsContact CD-CZ 3.48Å; K104-F282 HydrophobicContact CG-CZ 4.45Å; K104-F282 VanDerWaalsContact O-CE1 3.28Å; K104-F282 WeakPolarHBondContact O-CE1 3.42Å; K104-L286 HydrophobicContact CB-CD1 3.79Å; K104-M289 HydrophobicContact CG-CE 4.34Å |
| 105 | V | 97.8 | Very high | 95 | Very high | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.006 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62 | -43.1 | 169 | 176.6 | 0 | 0 | 0 | 0 | 110.6 | F101 Q107 F108 I109 L286 M306 L307 A310 | F101-V105 HydrophobicContact CD1-CG2 4.04Å; F101-V105 HydrophobicContact CE1-CG2 3.59Å; F101-V105 HydrophobicContact CE2-CG2 4.18Å; F101-V105 HydrophobicContact CZ-CG2 3.69Å; F101-V105 WeakPolarHBondContact O-CG2 3.43Å; F101-V105 PolarHBondContact O-N 3.48Å; V105-Q107 VanDerWaalsContact C-N 3.35Å; V105-Q107 PolarHBondContact O-N 3.04Å; V105-F108 PolarHBondContact O-N 3.14Å; V105-I109 HydrophobicContact CG1-CD1 4.18Å; V105-I109 WeakPolarHBondContact O-CG1 3.35Å; V105-I109 PolarHBondContact O-N 3Å; V105-L286 HydrophobicContact CB-CD2 4.49Å; V105-L286 HydrophobicContact CG2-CD1 3.98Å; V105-L286 HydrophobicContact CG2-CD2 4.06Å; V105-L286 HydrophobicContact CG2-CG 4.4Å; V105-M306 HydrophobicContact CB-CE 3.69Å; V105-M306 HydrophobicContact CG1-CB 4.29Å; V105-M306 HydrophobicContact CG1-CE 3.74Å; V105-M306 HydrophobicContact CG2-CE 4.17Å; V105-L307 HydrophobicContact CG2-CD1 4.45Å; V105-A310 HydrophobicContact CG1-CB 3.84Å |
| 106 | R | 97.3 | Very high | 94.8 | Very high | 8 Ų | 8 | 17.6 Ų | 17.6 | 3% | 0.03 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -64.1 | -39.9 | 175.4 | -174.1 | 68.3 | -163.6 | 179.1 | 4.8 | 111.8 | M78 T102 L103 K104 F108 I109 E110 Q327 D329 V336 | M78-R106 HydrophobicContact CE-CB 4.06Å; M78-R106 HydrophobicContact CE-CG 4.05Å; M78-R106 HydrophobicContact CG-CG 4.01Å; M78-R106 HydrophobicContact SD-CB 4.45Å; M78-R106 HydrophobicContact SD-CG 3.81Å; T102-R106 PolarHBondContact O-N 3.23Å; L103-R106 PolarHBondContact O-N 3.47Å; K104-R106 VanDerWaalsContact C-N 3.35Å; R106-F108 VanDerWaalsContact C-N 3.34Å; R106-F108 PolarHBondContact O-N 2.71Å; R106-I109 PolarHBondContact O-N 3.44Å; R106-I109 VanDerWaalsContact O-N 3.13Å; R106-E110 HydrophobicContact CG-CG 4.46Å; R106-E110 IonicContact CZ-OE1 2.78Å; R106-E110 IonicContact NE-OE1 2.64Å; R106-E110 PolarHBondContact NE-OE1 3.34Å; R106-E110 IonicContact NH2-OE1 2.69Å; R106-E110 PolarHBondContact NH2-OE1 2.86Å; R106-E110 WeakPolarHBondContact O-CG 3.18Å; R106-E110 PolarHBondContact O-N 3.08Å; R106-Q327 PolarHBondContact NH1-O 3.13Å; R106-Q327 PolarHBondContact NH2-O 3.17Å; R106-D329 PolarHBondContact NH2-O 2.9Å; R106-D329 VanDerWaalsContact NH2-O 3.12Å; R106-V336 HydrophobicContact CB-CG1 4.44Å; R106-V336 HydrophobicContact CB-CG2 4.31Å; R106-V336 HydrophobicContact CG-CG2 4.37Å |
| 107 | Q | 97.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -56.1 | -47.8 | 174.1 | -173.6 | 176.7 | 9.6 | 0 | 0 | 111.4 | M78 L103 K104 V105 I109 E110 M111 E118 F282 | M78-Q107 HydrophobicContact CB-CB 3.65Å; M78-Q107 HydrophobicContact CB-CG 3.92Å; M78-Q107 HydrophobicContact CG-CB 4.5Å; L103-Q107 PolarHBondContact O-N 2.8Å; K104-Q107 WeakPolarHBondContact O-CB 3.29Å; K104-Q107 PolarHBondContact O-N 2.77Å; V105-Q107 VanDerWaalsContact C-N 3.35Å; V105-Q107 PolarHBondContact O-N 3.04Å; Q107-I109 VanDerWaalsContact C-N 3.31Å; Q107-I109 PolarHBondContact O-N 3.05Å; Q107-E110 PolarHBondContact O-N 3.5Å; Q107-E110 VanDerWaalsContact O-N 3.14Å; Q107-M111 HydrophobicContact CG-CG 4.48Å; Q107-M111 HydrophobicContact CG-SD 4.36Å; Q107-M111 VanDerWaalsContact O-CG 3.31Å; Q107-M111 WeakPolarHBondContact O-CG 3.34Å; Q107-M111 PolarHBondContact O-N 2.92Å; Q107-E118 VanDerWaalsContact NE2-CD 3.34Å; Q107-E118 PolarHBondContact NE2-OE1 3.38Å; Q107-F282 HydrophobicContact CB-CE1 4.45Å; Q107-F282 HydrophobicContact CB-CZ 3.85Å; Q107-F282 HydrophobicContact CG-CE2 4.13Å; Q107-F282 HydrophobicContact CG-CZ 3.89Å; Q107-F282 VanDerWaalsContact OE1-CE2 3.23Å |
| 108 | F | 97.4 | Very high | 92.1 | Very high | 1 Ų | 1 | 16.8 Ų | 16.8 | 0% | 0.004 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -56.5 | -42.7 | 175.3 | 177.3 | -91.8 | 0 | 0 | 0 | 112.7 | K104 V105 R106 E110 M111 V112 M279 F282 L286 A310 F311 L314 | K104-F108 PolarHBondContact O-N 3.43Å; V105-F108 PolarHBondContact O-N 3.14Å; R106-F108 VanDerWaalsContact C-N 3.34Å; R106-F108 PolarHBondContact O-N 2.71Å; F108-E110 PolarHBondContact O-N 3.03Å; F108-M111 WeakPolarHBondContact O-CB 3.46Å; F108-M111 PolarHBondContact O-N 3.33Å; F108-V112 HydrophobicContact CD1-CG2 4.16Å; F108-V112 HydrophobicContact CE1-CG2 3.73Å; F108-V112 HydrophobicContact CZ-CG2 4.04Å; F108-V112 WeakPolarHBondContact O-CG2 3.33Å; F108-V112 PolarHBondContact O-N 2.94Å; F108-M279 HydrophobicContact CD2-CG 4.09Å; F108-M279 HydrophobicContact CE2-CG 3.74Å; F108-M279 HydrophobicContact CE2-SD 4.41Å; F108-M279 HydrophobicContact CZ-CG 4.38Å; F108-M279 HydrophobicContact CZ-SD 4.5Å; F108-F282 HydrophobicContact CB-CD1 3.98Å; F108-F282 HydrophobicContact CB-CE1 3.82Å; F108-F282 HydrophobicContact CD2-CD1 4.1Å; F108-L286 HydrophobicContact CB-CD2 3.97Å; F108-L286 HydrophobicContact CG-CD2 4.35Å; F108-A310 HydrophobicContact CD1-CB 4.08Å; F108-A310 HydrophobicContact CE1-CB 4.4Å; F108-F311 HydrophobicContact CD1-CD1 4.33Å; F108-F311 HydrophobicContact CD1-CE1 4.44Å; F108-F311 HydrophobicContact CD2-CE1 4.4Å; F108-F311 AromaticContact CE1-CD1 3.74Å; F108-F311 HydrophobicContact CE1-CD1 3.74Å; F108-F311 HydrophobicContact CE1-CE1 4.17Å; F108-F311 HydrophobicContact CE2-CD1 4.3Å; F108-F311 HydrophobicContact CE2-CE1 4.09Å; F108-F311 AromaticContact CZ-CD1 3.7Å; F108-F311 HydrophobicContact CZ-CD1 3.7Å; F108-F311 AromaticContact CZ-CE1 3.97Å; F108-F311 HydrophobicContact CZ-CE1 3.97Å; F108-L314 HydrophobicContact CZ-CD1 3.87Å; F108-L314 HydrophobicContact CZ-CD2 4.49Å; F108-L314 HydrophobicContact CZ-CG 4.15Å |
| 109 | I | 96.6 | Very high | 90.5 | Very high | 4 Ų | 4 | 14.5 Ų | 14.5 | 2% | 0.021 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -63.5 | -40.8 | 177.4 | -64.8 | 163.3 | 0 | 0 | 0 | 111.3 | V105 R106 Q107 M111 V112 N113 A310 L313 Q327 L328 | V105-I109 HydrophobicContact CG1-CD1 4.18Å; V105-I109 WeakPolarHBondContact O-CG1 3.35Å; V105-I109 PolarHBondContact O-N 3Å; R106-I109 PolarHBondContact O-N 3.44Å; R106-I109 VanDerWaalsContact O-N 3.13Å; Q107-I109 VanDerWaalsContact C-N 3.31Å; Q107-I109 PolarHBondContact O-N 3.05Å; I109-M111 VanDerWaalsContact C-N 3.35Å; I109-V112 WeakPolarHBondContact O-CB 3.42Å; I109-V112 PolarHBondContact O-N 3.35Å; I109-N113 WeakPolarHBondContact O-CB 3.42Å; I109-N113 PolarHBondContact O-N 2.82Å; I109-A310 HydrophobicContact CD1-CB 4.09Å; I109-A310 HydrophobicContact CG1-CB 3.9Å; I109-L313 HydrophobicContact CG1-CD1 4.35Å; I109-L313 HydrophobicContact CG2-CD1 4.44Å; I109-Q327 HydrophobicContact CD1-CB 4.32Å; I109-Q327 HydrophobicContact CG2-CB 4.39Å; I109-Q327 WeakPolarHBondContact CG2-O 3.23Å; I109-L328 HydrophobicContact CG2-CD2 3.92Å |
| 110 | E | 95.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -71.2 | -27.6 | 175.3 | -58.5 | -66.1 | 169.1 | 0 | 0 | 112.7 | G76 M78 R106 Q107 F108 N113 G114 T115 D116 R333 | G76-E110 WeakPolarHBondContact O-CB 3.28Å; M78-E110 HydrophobicContact CG-CB 4.41Å; M78-E110 HydrophobicContact CG-CG 3.74Å; R106-E110 HydrophobicContact CG-CG 4.46Å; R106-E110 IonicContact CZ-OE1 2.78Å; R106-E110 IonicContact NE-OE1 2.64Å; R106-E110 PolarHBondContact NE-OE1 3.34Å; R106-E110 IonicContact NH2-OE1 2.69Å; R106-E110 PolarHBondContact NH2-OE1 2.86Å; R106-E110 WeakPolarHBondContact O-CG 3.18Å; R106-E110 PolarHBondContact O-N 3.08Å; Q107-E110 PolarHBondContact O-N 3.5Å; Q107-E110 VanDerWaalsContact O-N 3.14Å; F108-E110 PolarHBondContact O-N 3.03Å; E110-N113 PolarHBondContact O-N 3.39Å; E110-G114 PolarHBondContact O-N 3.18Å; E110-T115 WeakPolarHBondContact CA-OG1 3.5Å; E110-T115 WeakPolarHBondContact CB-OG1 3.26Å; E110-T115 PolarHBondContact O-N 3.28Å; E110-T115 PolarHBondContact O-OG1 3.5Å; E110-T115 VanDerWaalsContact O-OG1 3.06Å; E110-T115 WeakPolarHBondContact OE2-CB 3.43Å; E110-T115 PolarHBondContact OE2-OG1 2.97Å; E110-D116 HydrophobicContact CB-CB 3.96Å; E110-D116 PolarHBondContact O-N 3.35Å; E110-R333 WeakPolarHBondContact OE1-CG 3.46Å; E110-R333 IonicContact OE1-CZ 3.48Å; E110-R333 IonicContact OE1-NE 2.7Å; E110-R333 PolarHBondContact OE1-NE 3.2Å; E110-R333 IonicContact OE1-NH2 3.95Å; E110-R333 IonicContact OE2-CZ 3.43Å; E110-R333 IonicContact OE2-NE 3.23Å; E110-R333 PolarHBondContact OE2-NE 2.91Å; E110-R333 IonicContact OE2-NH2 3.58Å; E110-R333 PolarHBondContact OE2-NH2 3.44Å |
| 111 | M | 94.4 | Very high | 86.7 | Confident | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -66.5 | -45.3 | 169.3 | -65.6 | 171.4 | 92.6 | 0 | 0 | 111.1 | Q107 F108 I109 N113 G114 D116 V119 C269 M279 F282 | Q107-M111 HydrophobicContact CG-CG 4.48Å; Q107-M111 HydrophobicContact CG-SD 4.36Å; Q107-M111 VanDerWaalsContact O-CG 3.31Å; Q107-M111 WeakPolarHBondContact O-CG 3.34Å; Q107-M111 PolarHBondContact O-N 2.92Å; F108-M111 WeakPolarHBondContact O-CB 3.46Å; F108-M111 PolarHBondContact O-N 3.33Å; I109-M111 VanDerWaalsContact C-N 3.35Å; M111-N113 VanDerWaalsContact C-N 3.3Å; M111-N113 PolarHBondContact O-N 3.1Å; M111-G114 PolarHBondContact O-N 2.95Å; M111-G114 VanDerWaalsContact O-N 3.15Å; M111-D116 HydrophobicContact CG-CB 4.1Å; M111-V119 HydrophobicContact CB-CG2 3.9Å; M111-V119 HydrophobicContact CE-CG2 4.44Å; M111-V119 HydrophobicContact CG-CG2 4.05Å; M111-C269 WeakPolarHBondContact O-CA 3.47Å; M111-C269 PolarHBondContact O-SG 3.44Å; M111-M279 HydrophobicContact CB-CB 4.23Å; M111-M279 HydrophobicContact CB-CG 4.03Å; M111-M279 HydrophobicContact CE-CB 4.35Å; M111-F282 HydrophobicContact CE-CB 4.01Å; M111-F282 HydrophobicContact CE-CD2 4.38Å; M111-F282 HydrophobicContact CE-CG 4.26Å; M111-F282 HydrophobicContact SD-CB 3.99Å; M111-F282 HydrophobicContact SD-CD1 3.99Å; M111-F282 HydrophobicContact SD-CD2 3.95Å; M111-F282 HydrophobicContact SD-CE1 4.47Å; M111-F282 HydrophobicContact SD-CE2 4.4Å; M111-F282 HydrophobicContact SD-CG 3.71Å |
| 112 | V | 93.5 | Very high | 84.6 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -56.7 | -46.1 | 172.8 | 174.4 | 0 | 0 | 0 | 0 | 110.4 | F108 I109 G114 L268 C269 M279 L313 L314 P319 L328 | F108-V112 HydrophobicContact CD1-CG2 4.16Å; F108-V112 HydrophobicContact CE1-CG2 3.73Å; F108-V112 HydrophobicContact CZ-CG2 4.04Å; F108-V112 WeakPolarHBondContact O-CG2 3.33Å; F108-V112 PolarHBondContact O-N 2.94Å; I109-V112 WeakPolarHBondContact O-CB 3.42Å; I109-V112 PolarHBondContact O-N 3.35Å; V112-G114 PolarHBondContact O-N 2.89Å; V112-L268 HydrophobicContact CG1-CD1 4.24Å; V112-L268 HydrophobicContact CG1-CG 4.34Å; V112-C269 PolarHBondContact O-N 3.33Å; V112-M279 HydrophobicContact CB-SD 4.28Å; V112-M279 HydrophobicContact CG2-CG 4.33Å; V112-M279 HydrophobicContact CG2-SD 3.48Å; V112-M279 WeakPolarHBondContact CG2-SD 3.42Å; V112-L313 HydrophobicContact CG1-CB 4.43Å; V112-L313 HydrophobicContact CG1-CD1 4.43Å; V112-L314 HydrophobicContact CG2-CD2 4.17Å; V112-P319 HydrophobicContact CG1-CB 4.19Å; V112-P319 HydrophobicContact CG1-CG 4.23Å; V112-L328 HydrophobicContact CB-CD2 4.31Å; V112-L328 HydrophobicContact CG1-CD2 4.03Å |
| 113 | N | 92.1 | Very high | 82.3 | Confident | 29 Ų | 29 | 32 Ų | 32 | 16% | 0.155 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -69.2 | -15.3 | -180 | -155.3 | 24.4 | 0 | 0 | 0 | 113.8 | I109 E110 M111 T115 W320 L328 | I109-N113 WeakPolarHBondContact O-CB 3.42Å; I109-N113 PolarHBondContact O-N 2.82Å; E110-N113 PolarHBondContact O-N 3.39Å; M111-N113 VanDerWaalsContact C-N 3.3Å; M111-N113 PolarHBondContact O-N 3.1Å; N113-T115 VanDerWaalsContact C-N 3.31Å; N113-W320 WeakPolarHBondContact OD1-CZ2 3.31Å; N113-W320 PolarHBondContact OD1-NE1 3.34Å; N113-W320 VanDerWaalsContact OD1-NE1 3.11Å; N113-L328 HydrophobicContact CB-CD2 3.71Å; N113-L328 PolarHBondContact ND2-O 2.49Å |
| 114 | G | 89.7 | Confident | 79.7 | Confident | 17 Ų | 17 | 35.1 Ų | 35.1 | 18% | 0.175 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.3 | 12.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | E110 M111 V112 | E110-G114 PolarHBondContact O-N 3.18Å; M111-G114 PolarHBondContact O-N 2.95Å; M111-G114 VanDerWaalsContact O-N 3.15Å; V112-G114 PolarHBondContact O-N 2.89Å |
| 115 | T | 86.4 | Confident | 76.7 | Confident | 39 Ų | 39 | 44.8 Ų | 44.8 | 24% | 0.239 | 25% | 0.248 | C | C | . | . | trans | -91.6 | -26.5 | -176.7 | 37 | 0 | 0 | 0 | 0 | 113.6 | E110 N113 | E110-T115 WeakPolarHBondContact CA-OG1 3.5Å; E110-T115 WeakPolarHBondContact CB-OG1 3.26Å; E110-T115 PolarHBondContact O-N 3.28Å; E110-T115 PolarHBondContact O-OG1 3.5Å; E110-T115 VanDerWaalsContact O-OG1 3.06Å; E110-T115 WeakPolarHBondContact OE2-CB 3.43Å; E110-T115 PolarHBondContact OE2-OG1 2.97Å; N113-T115 VanDerWaalsContact C-N 3.31Å | ||
| 116 | D | 87.9 | Confident | 73.8 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -70.5 | 142.9 | 179.2 | -168.9 | -88.2 | 0 | 0 | 0 | 112.5 | M78 G79 E110 M111 E118 V119 R120 | M78-D116 PolarHBondContact N-OD2 3.37Å; G79-D116 PolarHBondContact N-OD2 2.9Å; E110-D116 HydrophobicContact CB-CB 3.96Å; E110-D116 PolarHBondContact O-N 3.35Å; M111-D116 HydrophobicContact CG-CB 4.1Å; D116-E118 VanDerWaalsContact C-N 3.29Å; D116-E118 PolarHBondContact O-N 2.86Å; D116-E118 WeakPolarHBondContact OD1-CB 3.41Å; D116-E118 PolarHBondContact OD1-N 3.28Å; D116-V119 PolarHBondContact O-N 2.9Å; D116-V119 VanDerWaalsContact O-N 3.12Å; D116-R120 PolarHBondContact O-N 2.66Å |
| 117 | S | 70.6 | Confident | 71.2 | Confident | 19 Ų | 19 | 54.9 Ų | 54.9 | 13% | 0.133 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.3 | -32.1 | -175.6 | -58.6 | 0 | 0 | 0 | 0 | 113.9 | R77 E80 V119 R120 C121 | R77-S117 PolarHBondContact NE-OG 3.02Å; E80-S117 WeakPolarHBondContact OE1-CB 3.34Å; E80-S117 PolarHBondContact OE1-OG 3.4Å; S117-V119 PolarHBondContact O-N 2.69Å; S117-R120 PolarHBondContact O-N 2.93Å; S117-C121 PolarHBondContact O-N 2.87Å; S117-C121 PolarHBondContact O-SG 3.29Å; S117-C121 VanDerWaalsContact O-SG 3.37Å |
| 118 | E | 61.7 | Low | 68.3 | Low | 65 Ų | 65 | 63.3 Ų | 63.3 | 30% | 0.304 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -56.4 | -42.9 | 176.3 | -70.6 | -175.1 | -158.5 | 0 | 0 | 109.9 | Q107 D116 R278 | Q107-E118 VanDerWaalsContact NE2-CD 3.34Å; Q107-E118 PolarHBondContact NE2-OE1 3.38Å; D116-E118 VanDerWaalsContact C-N 3.29Å; D116-E118 PolarHBondContact O-N 2.86Å; D116-E118 WeakPolarHBondContact OD1-CB 3.41Å; D116-E118 PolarHBondContact OD1-N 3.28Å; E118-R278 PolarHBondContact O-NH1 3.34Å; E118-R278 PolarHBondContact O-NH2 3.24Å |
| 119 | V | 60.8 | Low | 65.5 | Low | 3 Ų | 3 | 68.7 Ų | 68.7 | 2% | 0.018 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -74.3 | -46.9 | 179.4 | 166.1 | 0 | 0 | 0 | 0 | 111.8 | M111 D116 S117 C121 L122 C269 A275 | M111-V119 HydrophobicContact CB-CG2 3.9Å; M111-V119 HydrophobicContact CE-CG2 4.44Å; M111-V119 HydrophobicContact CG-CG2 4.05Å; D116-V119 PolarHBondContact O-N 2.9Å; D116-V119 VanDerWaalsContact O-N 3.12Å; S117-V119 PolarHBondContact O-N 2.69Å; V119-C121 VanDerWaalsContact C-N 3.31Å; V119-C121 PolarHBondContact O-N 2.93Å; V119-L122 PolarHBondContact O-N 3.43Å; V119-C269 HydrophobicContact CG1-CB 4.05Å; V119-C269 WeakPolarHBondContact CG1-O 3.42Å; V119-A275 HydrophobicContact CB-CB 4.05Å; V119-A275 HydrophobicContact CG1-CB 3.6Å; V119-A275 HydrophobicContact CG2-CB 3.97Å |
| 120 | R | 59.7 | Low | 62.9 | Low | 184 Ų | 184 | 77.3 Ų | 77.3 | 69% | 0.694 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -61.2 | -33.2 | -171.6 | -167.1 | 177.5 | 179.5 | 119.8 | -0.2 | 114.2 | D116 S117 L122 G123 | D116-R120 PolarHBondContact O-N 2.66Å; S117-R120 PolarHBondContact O-N 2.93Å; R120-L122 PolarHBondContact O-N 3.11Å; R120-L122 VanDerWaalsContact O-N 3.1Å; R120-G123 PolarHBondContact O-N 3.47Å |
| 121 | C | 53.4 | Low | 59.9 | Low | 104 Ų | 104 | 84 Ų | 84 | 70% | 0.703 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -13.8 | -177 | -71.2 | 0 | 0 | 0 | 0 | 115.2 | S117 V119 | S117-C121 PolarHBondContact O-N 2.87Å; S117-C121 PolarHBondContact O-SG 3.29Å; S117-C121 VanDerWaalsContact O-SG 3.37Å; V119-C121 VanDerWaalsContact C-N 3.31Å; V119-C121 PolarHBondContact O-N 2.93Å |
| 122 | L | 51.4 | Low | 57 | Low | 89 Ų | 89 | 89.8 Ų | 89.8 | 47% | 0.466 | 51% | 0.508 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | -4.5 | 178.7 | -58.2 | -168.7 | 0 | 0 | 0 | 114.7 | V119 R120 A274 | V119-L122 PolarHBondContact O-N 3.43Å; R120-L122 PolarHBondContact O-N 3.11Å; R120-L122 VanDerWaalsContact O-N 3.1Å; L122-A274 HydrophobicContact CD1-CB 3.53Å |
| 123 | G | 48 | Very low | 54.3 | Low | 64 Ų | 64 | 100.3 Ų | 100.3 | 66% | 0.66 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -95.2 | 8.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | R120 | R120-G123 PolarHBondContact O-N 3.47Š|
| 124 | G | 43.5 | Very low | 52.1 | Low | 65 Ų | 65 | 104.3 Ų | 104.3 | 67% | 0.67 | 58% | 0.577 | S | S | * | * | trans | -112.8 | 32.3 | -157.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 125 | R | 36.1 | Very low | 49.5 | Very low | 247 Ų | 247 | 110.5 Ų | 110.5 | 93% | 0.932 | 61% | 0.611 | S | S | * | * | trans | -101.7 | 93.1 | 161.5 | -76.2 | -165.4 | 179.8 | -147.6 | 0.9 | 109.7 | ||||
| 126 | S | 36 | Very low | 47 | Very low | 95 Ų | 95 | 113.7 Ų | 113.7 | 66% | 0.664 | 64% | 0.635 | S | S | * | * | trans | -66 | 127.9 | 167.7 | -173.9 | 0 | 0 | 0 | 0 | 109.1 | K128 | S126-K128 PolarHBondContact O-N 2.79Å; S126-K128 VanDerWaalsContact O-N 3.15Å | ||
| 127 | P | 42.7 | Very low | 45.3 | Very low | 126 Ų | 126 | 118.9 Ų | 118.9 | 82% | 0.818 | 67% | 0.669 | S | S | * | * | trans | -76.2 | 102.4 | 176.2 | 30.2 | -31.9 | 0 | 0 | 0 | 108.9 | ||||
| 128 | K | 36.5 | Very low | 43.7 | Very low | 177 Ų | 177 | 129.4 Ų | 129.4 | 77% | 0.77 | 71% | 0.706 | S | S | * | * | trans | -121.6 | 129.3 | 168.4 | -80.4 | -171 | 172.4 | -176.9 | 0 | 110.9 | S126 | S126-K128 PolarHBondContact O-N 2.79Å; S126-K128 VanDerWaalsContact O-N 3.15Å | ||
| 129 | S | 39.6 | Very low | 43.1 | Very low | 114 Ų | 114 | 131 Ų | 131 | 80% | 0.797 | 72% | 0.721 | S | S | * | * | trans | 52.3 | 104.2 | 169.5 | 51.6 | 0 | 0 | 0 | 0 | 117.1 | D131 | S129-D131 PolarHBondContact O-N 3.17Š| ||
| 130 | Q | 40.6 | Very low | 41.7 | Very low | 185 Ų | 185 | 140 Ų | 140 | 86% | 0.864 | 76% | 0.761 | S | S | * | * | trans | -49.1 | 127.7 | 133.7 | -72.1 | 164.4 | -85.6 | 0 | 0 | 108.7 | ||||
| 131 | D | 34.2 | Very low | 40.4 | Very low | 141 Ų | 141 | 136 Ų | 136 | 75% | 0.754 | 76% | 0.761 | S | S | * | * | 174.2 | 102.1 | 126 | -91.3 | -18.9 | 0 | 0 | 0 | 110.7 | S129 | S129-D131 PolarHBondContact O-N 3.17Š| |||
| 132 | S | 33.2 | Very low | 39.6 | Very low | 122 Ų | 122 | 136.5 Ų | 136.5 | 85% | 0.853 | 77% | 0.766 | S | S | * | * | trans | -179.8 | 132.4 | 146 | -82.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 133 | Y | 36.6 | Very low | 39.3 | Very low | 221 Ų | 221 | 138.5 Ų | 138.5 | 87% | 0.867 | 78% | 0.784 | S | S | * | * | trans | -76.7 | 159.2 | -170.9 | -76.6 | -93.3 | 0 | 0 | 0 | 114 | ||||
| 134 | P | 45.3 | Very low | 38.6 | Very low | 114 Ų | 114 | 140 Ų | 140 | 74% | 0.74 | 79% | 0.785 | S | S | * | * | trans | -86.5 | 139.6 | -173.4 | 34 | -34.4 | 0 | 0 | 0 | 113.2 | ||||
| 135 | V | 34.4 | Very low | 38.2 | Very low | 146 Ų | 146 | 145 Ų | 145 | 89% | 0.885 | 79% | 0.793 | S | S | * | * | trans | -133.4 | 128.4 | 159.6 | 179.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 136 | S | 35.1 | Very low | 38.3 | Very low | 107 Ų | 107 | 138.4 Ų | 138.4 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | trans | -126.4 | 173.4 | 169.5 | -65.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 137 | P | 51.8 | Low | 38.8 | Very low | 108 Ų | 108 | 140.2 Ų | 140.2 | 70% | 0.701 | 79% | 0.794 | S | S | * | * | -131.3 | 173.3 | -53.6 | 37.7 | -24.4 | 0 | 0 | 0 | 110.8 | |||||
| 138 | R | 37.3 | Very low | 38.5 | Very low | 241 Ų | 241 | 139.1 Ų | 139.1 | 91% | 0.909 | 79% | 0.789 | S | S | * | * | trans | 170.8 | 163.9 | 134.8 | -95 | 168.3 | -166.4 | -93.4 | 0.3 | 113.3 | ||||
| 139 | P | 48.8 | Very low | 38.4 | Very low | 98 Ų | 98 | 140.5 Ų | 140.5 | 64% | 0.636 | 80% | 0.798 | S | S | * | * | trans | -103.4 | 175.8 | -158.1 | 41.4 | -37.4 | 0 | 0 | 0 | 113.9 | ||||
| 140 | F | 32.2 | Very low | 38.1 | Very low | 191 Ų | 191 | 138.5 Ų | 138.5 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | -179.7 | 141.7 | 119.9 | -99.8 | -68.5 | 0 | 0 | 0 | 113.5 | |||||
| 141 | S | 31.6 | Very low | 37.8 | Very low | 102 Ų | 102 | 138.6 Ų | 138.6 | 71% | 0.713 | 80% | 0.798 | S | S | * | * | trans | 37.9 | 130.4 | 149.1 | -57.6 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 142 | S | 36.5 | Very low | 37.6 | Very low | 113 Ų | 113 | 138.1 Ų | 138.1 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | trans | -61.7 | 161.8 | 148.9 | -40.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 143 | P | 46.1 | Very low | 37.7 | Very low | 131 Ų | 131 | 138 Ų | 138 | 85% | 0.851 | 78% | 0.784 | S | S | * | * | -138.5 | 176.6 | 117.7 | 37.5 | -26.4 | 0 | 0 | 0 | 113.8 | |||||
| 144 | S | 33.2 | Very low | 37.7 | Very low | 97 Ų | 97 | 135.4 Ų | 135.4 | 68% | 0.678 | 78% | 0.779 | S | S | * | * | trans | -125.2 | 176.7 | 177.7 | 73 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 145 | M | 34.5 | Very low | 37 | Very low | 169 Ų | 169 | 135.8 Ų | 135.8 | 83% | 0.833 | 78% | 0.775 | S | S | * | * | trans | 97.6 | 140.9 | 171.1 | -61.3 | -62.9 | 119.4 | 0 | 0 | 118.3 | ||||
| 146 | S | 38.4 | Very low | 37.1 | Very low | 109 Ų | 109 | 136 Ų | 136 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | trans | -87.9 | -178.5 | -166.9 | -36.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 147 | P | 45.9 | Very low | 37.1 | Very low | 133 Ų | 133 | 134.7 Ų | 134.7 | 86% | 0.864 | 77% | 0.766 | S | S | * | * | -135.2 | 172.5 | 128.4 | 37 | -25.8 | 0 | 0 | 0 | 115 | |||||
| 148 | S | 35.8 | Very low | 36.2 | Very low | 103 Ų | 103 | 135.7 Ų | 135.7 | 72% | 0.72 | 78% | 0.776 | S | S | * | * | trans | -117.4 | 154.1 | -162.8 | 52.9 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 149 | H | 35.9 | Very low | 35.9 | Very low | 206 Ų | 206 | 127.6 Ų | 127.6 | 95% | 0.954 | 77% | 0.767 | S | S | * | * | trans | -155.9 | 147.9 | 152.6 | -80.3 | -78.6 | 0 | 0 | 0 | 108.2 | ||||
| 150 | G | 32.9 | Very low | 35.2 | Very low | 71 Ų | 71 | 133.1 Ų | 133.1 | 73% | 0.732 | 78% | 0.781 | S | S | * | * | cis | -170.1 | 177.1 | -1.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 151 | M | 33.3 | Very low | 35.2 | Very low | 188 Ų | 188 | 127.2 Ų | 127.2 | 93% | 0.926 | 77% | 0.774 | S | S | * | * | trans | -50.1 | 174.4 | 178.8 | -70.7 | 163.6 | 160.7 | 0 | 0 | 118.4 | ||||
| 152 | N | 31.7 | Very low | 35.3 | Very low | 131 Ų | 131 | 127.7 Ų | 127.7 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | cis | -178.5 | 143.8 | -29.3 | -169.5 | 22.2 | 0 | 0 | 0 | 111 | ||||
| 153 | I | 34.5 | Very low | 35 | Very low | 120 Ų | 120 | 128.9 Ų | 128.9 | 62% | 0.615 | 78% | 0.78 | S | S | * | * | trans | 51.4 | 131.9 | 150.4 | -86 | 167.6 | 0 | 0 | 0 | 124.3 | ||||
| 154 | H | 35.9 | Very low | 34.3 | Very low | 165 Ų | 165 | 126.5 Ų | 126.5 | 76% | 0.764 | 77% | 0.772 | S | S | * | * | 162 | 146.1 | 126.4 | -85.1 | -60.3 | 0 | 0 | 0 | 109.1 | |||||
| 155 | N | 31.9 | Very low | 34.2 | Very low | 123 Ų | 123 | 130.3 Ų | 130.3 | 66% | 0.658 | 78% | 0.778 | S | S | * | * | cis | -158.4 | 165.1 | 0.6 | -130.7 | 11.9 | 0 | 0 | 0 | 113 | ||||
| 156 | L | 36.6 | Very low | 33.8 | Very low | 149 Ų | 149 | 131.7 Ų | 131.7 | 78% | 0.78 | 78% | 0.78 | S | S | * | * | trans | 1.7 | 162 | 153.8 | -82.7 | 69.3 | 0 | 0 | 0 | 122.1 | ||||
| 157 | A | 33.9 | Very low | 33.5 | Very low | 80 Ų | 80 | 130.9 Ų | 130.9 | 66% | 0.661 | 77% | 0.774 | S | S | * | * | cis | 176.5 | 163 | -19.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 158 | S | 33.4 | Very low | 32.6 | Very low | 130 Ų | 130 | 128.1 Ų | 128.1 | 91% | 0.909 | 77% | 0.77 | S | S | * | * | trans | 139.8 | 139.2 | 151.5 | -67.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 159 | G | 31.2 | Very low | 32.3 | Very low | 70 Ų | 70 | 132.5 Ų | 132.5 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | cis | 141.5 | 95.3 | -8.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 160 | K | 34.1 | Very low | 32 | Very low | 215 Ų | 215 | 131 Ų | 131 | 94% | 0.935 | 77% | 0.77 | S | S | * | * | trans | 158.3 | 138.5 | 161 | -91.5 | 160.2 | -177.6 | -178.8 | 0 | 107.2 | ||||
| 161 | G | 31 | Very low | 32 | Very low | 67 Ų | 67 | 132 Ų | 132 | 69% | 0.691 | 77% | 0.765 | S | S | * | * | cis | 105.6 | 126.6 | 25.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 162 | S | 33.8 | Very low | 31.7 | Very low | 112 Ų | 112 | 128.2 Ų | 128.2 | 78% | 0.783 | 76% | 0.756 | S | S | * | * | cis | -164.8 | 171 | 12.2 | -68.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 163 | T | 30.7 | Very low | 32 | Very low | 137 Ų | 137 | 126.8 Ų | 126.8 | 84% | 0.84 | 76% | 0.757 | S | S | * | * | trans | 72.1 | 120.7 | 144.4 | 41 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 164 | A | 32.4 | Very low | 32 | Very low | 82 Ų | 82 | 129 Ų | 129 | 68% | 0.678 | 77% | 0.77 | S | S | * | * | 98.6 | 116.8 | 118.3 | 0 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 165 | H | 30.3 | Very low | 31.8 | Very low | 177 Ų | 177 | 124.6 Ų | 124.6 | 82% | 0.819 | 77% | 0.769 | S | S | * | * | 70.6 | 125 | 129.8 | -80.6 | -91.6 | 0 | 0 | 0 | 125.2 | |||||
| 166 | F | 27.2 | Very low | 31.8 | Very low | 198 Ų | 198 | 125 Ų | 125 | 87% | 0.868 | 78% | 0.776 | S | S | * | * | trans | 77.6 | 169.9 | 135.4 | -135.5 | -105.6 | 0 | 0 | 0 | 121 | ||||
| 167 | S | 31.7 | Very low | 31.7 | Very low | 91 Ų | 91 | 125.5 Ų | 125.5 | 64% | 0.636 | 78% | 0.777 | S | S | * | * | trans | -119 | 149.6 | -153.4 | 56.2 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 168 | G | 27.1 | Very low | 31.6 | Very low | 75 Ų | 75 | 126 Ų | 126 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | trans | 114.8 | 121.4 | 137 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 169 | F | 28.8 | Very low | 31.5 | Very low | 196 Ų | 196 | 127.1 Ų | 127.1 | 86% | 0.86 | 77% | 0.772 | S | S | * | * | trans | 69.5 | 119.8 | 142.1 | -141.9 | -90.4 | 0 | 0 | 0 | 122 | ||||
| 170 | E | 29.1 | Very low | 31.4 | Very low | 175 Ų | 175 | 132.7 Ų | 132.7 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | -179.9 | 131 | 125.7 | -95.3 | -178.4 | 163.4 | 0 | 0 | 108 | |||||
| 171 | S | 32.4 | Very low | 31.3 | Very low | 91 Ų | 91 | 126.6 Ų | 126.6 | 64% | 0.636 | 77% | 0.766 | S | S | * | * | 73.6 | 131.5 | 72.1 | -146.9 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 172 | C | 28.9 | Very low | 31.2 | Very low | 109 Ų | 109 | 131.5 Ų | 131.5 | 74% | 0.736 | 77% | 0.77 | S | S | * | * | cis | -171.7 | 167.4 | -7.8 | 49.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 173 | S | 36.4 | Very low | 31 | Very low | 101 Ų | 101 | 134.9 Ų | 134.9 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | trans | 132.8 | 105.8 | 142.3 | -61.2 | 0 | 0 | 0 | 0 | 119 | ||||
| 174 | N | 35.3 | Very low | 30.8 | Very low | 166 Ų | 166 | 133.5 Ų | 133.5 | 89% | 0.888 | 77% | 0.77 | S | S | * | * | trans | 24 | 141.2 | 133.3 | -52.5 | -20.7 | 0 | 0 | 0 | 121.2 | ||||
| 175 | G | 31.4 | Very low | 30.5 | Very low | 73 Ų | 73 | 140 Ų | 140 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | cis | -168.4 | -141.3 | 6.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 176 | V | 32.1 | Very low | 30.1 | Very low | 132 Ų | 132 | 136.3 Ų | 136.3 | 80% | 0.8 | 77% | 0.771 | S | S | * | * | cis | -155.6 | 140.3 | 1.8 | -176.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 177 | I | 33.6 | Very low | 30.1 | Very low | 158 Ų | 158 | 135 Ų | 135 | 81% | 0.81 | 77% | 0.767 | S | S | * | * | trans | -2.8 | 153.7 | 153 | -41.7 | 168.7 | 0 | 0 | 0 | 120.3 | ||||
| 178 | S | 32.3 | Very low | 29.8 | Very low | 90 Ų | 90 | 135.1 Ų | 135.1 | 63% | 0.629 | 77% | 0.768 | S | S | * | * | cis | 173 | 147.5 | -34.1 | -168.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 179 | N | 31 | Very low | 29.7 | Very low | 155 Ų | 155 | 138.8 Ų | 138.8 | 83% | 0.829 | 77% | 0.77 | S | S | * | * | trans | 43.3 | 130.7 | 153.3 | -68.9 | -9.8 | 0 | 0 | 0 | 123.5 | ||||
| 180 | K | 29.7 | Very low | 29.7 | Very low | 187 Ų | 187 | 139 Ų | 139 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | -160.3 | 147.9 | 108.1 | -142.9 | 172.3 | -178.6 | 178.7 | 0 | 113.8 | |||||
| 181 | A | 31.6 | Very low | 29.6 | Very low | 86 Ų | 86 | 139 Ų | 139 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | trans | -122.5 | 156.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 182 | H | 29.4 | Very low | 29.3 | Very low | 171 Ų | 171 | 143.4 Ų | 143.4 | 79% | 0.792 | 78% | 0.781 | S | S | * | * | trans | -157.7 | 150.1 | 157.5 | -96.6 | -62.6 | 0 | 0 | 0 | 112.2 | ||||
| 183 | Q | 29.7 | Very low | 29.2 | Very low | 182 Ų | 182 | 143 Ų | 143 | 85% | 0.85 | 78% | 0.78 | S | S | * | * | trans | -81.3 | 156.8 | 171.8 | -62.6 | 165.7 | -27.4 | 0 | 0 | 111.3 | ||||
| 184 | S | 26.7 | Very low | 28.8 | Very low | 109 Ų | 109 | 143.7 Ų | 143.7 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | 160.7 | 135.3 | 108.9 | 53.4 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 185 | Y | 25.1 | Very low | 28.3 | Very low | 219 Ų | 219 | 142.9 Ų | 142.9 | 86% | 0.859 | 78% | 0.78 | S | S | * | * | trans | 54 | 145.6 | 141.1 | -90.2 | -80.9 | 0 | 0 | 0 | 126.5 | ||||
| 186 | C | 23.1 | Very low | 28.1 | Very low | 99 Ų | 99 | 146.9 Ų | 146.9 | 67% | 0.669 | 78% | 0.783 | S | S | * | * | trans | 91.3 | 104.6 | 144.7 | -73.4 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 187 | H | 26 | Very low | 27.9 | Very low | 169 Ų | 169 | 148.1 Ų | 148.1 | 78% | 0.782 | 79% | 0.785 | S | S | * | * | 66.1 | 116.1 | 119.5 | -78 | -55.5 | 0 | 0 | 0 | 125.2 | |||||
| 188 | S | 25.6 | Very low | 27.9 | Very low | 94 Ų | 94 | 146 Ų | 146 | 66% | 0.657 | 78% | 0.78 | S | S | * | * | 88.6 | 137.4 | 117.9 | -60.3 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 189 | N | 25 | Very low | 28.1 | Very low | 152 Ų | 152 | 147.7 Ų | 147.7 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | trans | 66.2 | 112.1 | 147.3 | -81.6 | -4.6 | 0 | 0 | 0 | 121.3 | ||||
| 190 | K | 28.6 | Very low | 28 | Very low | 200 Ų | 200 | 148.3 Ų | 148.3 | 87% | 0.87 | 79% | 0.786 | S | S | * | * | -175.9 | 159.2 | 91.7 | -107 | 175.1 | -178.5 | 177.4 | 0 | 114.4 | |||||
| 191 | H | 28.4 | Very low | 28 | Very low | 176 Ų | 176 | 146.2 Ų | 146.2 | 82% | 0.815 | 78% | 0.783 | S | S | * | * | trans | -54.7 | 162.7 | 160.6 | -61.4 | -94 | 0 | 0 | 0 | 110.6 | ||||
| 192 | Q | 26.5 | Very low | 27.9 | Very low | 184 Ų | 184 | 149.3 Ų | 149.3 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | -177.3 | 164.2 | 63.1 | -163.4 | 155.6 | -4 | 0 | 0 | 112.8 | |||||
| 193 | S | 25.6 | Very low | 27.8 | Very low | 101 Ų | 101 | 146.1 Ų | 146.1 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | trans | -69.8 | 146 | -180 | 52.2 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 194 | S | 28.6 | Very low | 27.9 | Very low | 114 Ų | 114 | 145.8 Ų | 145.8 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | trans | -172.1 | 114.6 | 130.4 | 49.7 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 195 | N | 24.5 | Very low | 28 | Very low | 149 Ų | 149 | 147.5 Ų | 147.5 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | trans | 15.1 | 138.1 | 138.3 | -74.7 | -26.1 | 0 | 0 | 0 | 122.6 | ||||
| 196 | L | 27.8 | Very low | 28.2 | Very low | 158 Ų | 158 | 144.8 Ų | 144.8 | 83% | 0.827 | 79% | 0.785 | S | S | * | * | trans | 63.9 | 108 | 140.7 | -61 | 167.7 | 0 | 0 | 0 | 118.7 | ||||
| 197 | N | 27.5 | Very low | 28.4 | Very low | 158 Ų | 158 | 144.3 Ų | 144.3 | 85% | 0.845 | 78% | 0.783 | S | S | * | * | -154.2 | 145.6 | 108.6 | -143.3 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 198 | V | 33.5 | Very low | 28.7 | Very low | 114 Ų | 114 | 146.3 Ų | 146.3 | 69% | 0.691 | 78% | 0.783 | S | S | * | * | trans | -92.8 | 145.1 | 168.7 | 175.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 199 | P | 36.8 | Very low | 28.8 | Very low | 125 Ų | 125 | 147.3 Ų | 147.3 | 81% | 0.812 | 79% | 0.79 | S | S | * | * | -125.1 | 143.1 | 128.5 | 1.2 | 19.6 | 0 | 0 | 0 | 112.8 | |||||
| 200 | E | 27.6 | Very low | 29.1 | Very low | 167 Ų | 167 | 146.8 Ų | 146.8 | 78% | 0.78 | 78% | 0.783 | S | S | * | * | trans | -84.2 | 178.3 | 174.1 | -168.9 | 174.4 | -175.3 | 0 | 0 | 111 | ||||
| 201 | L | 29.6 | Very low | 29.1 | Very low | 143 Ų | 143 | 146.4 Ų | 146.4 | 75% | 0.749 | 78% | 0.784 | S | S | * | * | trans | 78.9 | 118.5 | 175.6 | -47.9 | 170.5 | 0 | 0 | 0 | 114.2 | ||||
| 202 | N | 30.1 | Very low | 29.2 | Very low | 151 Ų | 151 | 143.2 Ų | 143.2 | 81% | 0.807 | 78% | 0.777 | S | S | * | * | -155.9 | 148.7 | 53 | -88.5 | -56.1 | 0 | 0 | 0 | 114.1 | |||||
| 203 | S | 27.8 | Very low | 29.3 | Very low | 105 Ų | 105 | 141.2 Ų | 141.2 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | trans | -65.5 | 147.4 | 159.7 | -38.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 204 | I | 32.3 | Very low | 29.4 | Very low | 175 Ų | 175 | 143.1 Ų | 143.1 | 90% | 0.897 | 77% | 0.774 | S | S | * | * | trans | -169.2 | 141.5 | 133.8 | -95.9 | 148.7 | 0 | 0 | 0 | 111.4 | ||||
| 205 | N | 27.6 | Very low | 29.6 | Very low | 144 Ų | 144 | 146.6 Ų | 146.6 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | trans | -53.4 | 179.5 | 176.8 | -165 | 7.2 | 0 | 0 | 0 | 117 | ||||
| 206 | M | 28.9 | Very low | 30 | Very low | 163 Ų | 163 | 145.3 Ų | 145.3 | 80% | 0.803 | 77% | 0.773 | S | S | * | * | trans | 87.6 | 140.7 | 173.8 | -66 | -134.2 | 142.1 | 0 | 0 | 117.3 | ||||
| 207 | S | 28.5 | Very low | 30.1 | Very low | 89 Ų | 89 | 142.2 Ų | 142.2 | 62% | 0.622 | 76% | 0.764 | S | S | * | * | cis | -156.6 | 152.6 | -7.9 | -115.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 208 | R | 31.2 | Very low | 30.3 | Very low | 211 Ų | 211 | 141.5 Ų | 141.5 | 80% | 0.796 | 76% | 0.761 | S | S | * | * | trans | -68.9 | 123.3 | 170.9 | -176.9 | -170.3 | -162 | -173.8 | 6.7 | 110.6 | ||||
| 209 | S | 28.8 | Very low | 30.5 | Very low | 114 Ų | 114 | 143.4 Ų | 143.4 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | trans | -125.2 | 115.1 | 159.9 | 48.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 210 | Q | 30.6 | Very low | 30.8 | Very low | 142 Ų | 142 | 143.1 Ų | 143.1 | 66% | 0.664 | 76% | 0.763 | S | S | * | * | trans | -79.9 | 129 | 170.2 | -67.2 | 164.9 | -72 | 0 | 0 | 108.3 | ||||
| 211 | Q | 29.3 | Very low | 31.2 | Very low | 191 Ų | 191 | 142.5 Ų | 142.5 | 89% | 0.893 | 77% | 0.765 | S | S | * | * | trans | -123.4 | 114.9 | 151.6 | -82 | -168.2 | -33.6 | 0 | 0 | 109.2 | ||||
| 212 | V | 30.2 | Very low | 32.2 | Very low | 110 Ų | 110 | 143 Ų | 143 | 67% | 0.667 | 77% | 0.766 | S | S | * | * | trans | -87.1 | 116.9 | 178.1 | -172.4 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 213 | N | 27.9 | Very low | 32.6 | Very low | 141 Ų | 141 | 144.1 Ų | 144.1 | 75% | 0.754 | 77% | 0.766 | S | S | * | * | trans | -118.4 | 98.6 | 166.9 | -92.6 | -6.6 | 0 | 0 | 0 | 109 | F215 | N213-F215 PolarHBondContact O-N 3.22Š| ||
| 214 | N | 29.3 | Very low | 33.2 | Very low | 142 Ų | 142 | 144.5 Ų | 144.5 | 76% | 0.759 | 76% | 0.764 | S | S | * | * | trans | -67.4 | 118.5 | 166.5 | -72.7 | -21.3 | 0 | 0 | 0 | 108.9 | ||||
| 215 | F | 32.4 | Very low | 33.2 | Very low | 186 Ų | 186 | 142.9 Ų | 142.9 | 82% | 0.816 | 76% | 0.757 | S | S | * | * | trans | -130.9 | 135.4 | 155 | -79.6 | -74.6 | 0 | 0 | 0 | 110.6 | N213 | N213-F215 PolarHBondContact O-N 3.22Š| ||
| 216 | T | 31.7 | Very low | 33.6 | Very low | 123 Ų | 123 | 144.2 Ų | 144.2 | 76% | 0.755 | 76% | 0.758 | S | S | * | * | trans | -47.5 | 127.6 | -168.8 | 46.9 | 0 | 0 | 0 | 0 | 114.6 | N218 | T216-N218 PolarHBondContact O-N 2.73Š| ||
| 217 | S | 29.7 | Very low | 33.8 | Very low | 92 Ų | 92 | 147.6 Ų | 147.6 | 64% | 0.643 | 76% | 0.764 | S | S | * | * | trans | -60.3 | 129.7 | 161.8 | -171.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 218 | N | 32.1 | Very low | 34 | Very low | 143 Ų | 143 | 148.2 Ų | 148.2 | 77% | 0.765 | 77% | 0.768 | S | S | * | * | trans | -115.9 | 96.9 | 155.5 | -79.8 | -29.4 | 0 | 0 | 0 | 105.8 | T216 V220 | T216-N218 PolarHBondContact O-N 2.73Å; N218-V220 PolarHBondContact O-N 2.97Å | ||
| 219 | D | 37.2 | Very low | 34.4 | Very low | 154 Ų | 154 | 146.4 Ų | 146.4 | 82% | 0.824 | 77% | 0.774 | S | S | * | * | trans | -58.9 | 126.4 | 168 | -94.5 | -54.8 | 0 | 0 | 0 | 109 | ||||
| 220 | V | 43.1 | Very low | 34.5 | Very low | 120 Ų | 120 | 144 Ų | 144 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | trans | -124.5 | 96.9 | 165.6 | -177.6 | 0 | 0 | 0 | 0 | 105.8 | N218 M222 | N218-V220 PolarHBondContact O-N 2.97Å; V220-M222 PolarHBondContact O-N 3.27Å | ||
| 221 | D | 37.5 | Very low | 34.7 | Very low | 154 Ų | 154 | 143.6 Ų | 143.6 | 82% | 0.824 | 78% | 0.775 | S | S | * | * | trans | -57.7 | 124.5 | 175.6 | -134.5 | -22.6 | 0 | 0 | 0 | 108.9 | ||||
| 222 | M | 49.5 | Very low | 34.8 | Very low | 154 Ų | 154 | 137.9 Ų | 137.9 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | trans | -102.8 | 93.5 | 174.6 | -90.1 | -69.5 | -56.1 | 0 | 0 | 107.9 | V220 T224 | V220-M222 PolarHBondContact O-N 3.27Å; M222-T224 PolarHBondContact O-N 3.38Å | ||
| 223 | E | 39.1 | Very low | 34.8 | Very low | 174 Ų | 174 | 141 Ų | 141 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | trans | -52.4 | 125.1 | 169.1 | -66.3 | -171.9 | 144.7 | 0 | 0 | 109.1 | D225 | E223-D225 PolarHBondContact O-N 3.39Š| ||
| 224 | T | 41.4 | Very low | 34.9 | Very low | 113 Ų | 113 | 140.9 Ų | 140.9 | 69% | 0.693 | 78% | 0.778 | S | S | * | * | trans | -88.1 | 98.2 | -178.3 | -62.5 | 0 | 0 | 0 | 0 | 108.5 | M222 H226 | M222-T224 PolarHBondContact O-N 3.38Å; T224-H226 PolarHBondContact O-CD2 2.91Å; T224-H226 PolarHBondContact O-N 2.85Å | ||
| 225 | D | 32.1 | Very low | 35 | Very low | 141 Ų | 141 | 139.8 Ų | 139.8 | 75% | 0.754 | 78% | 0.782 | S | S | * | * | trans | -60.5 | 99.4 | 172.9 | -85.5 | -39.8 | 0 | 0 | 0 | 110.6 | E223 Y227 | E223-D225 PolarHBondContact O-N 3.39Å; D225-Y227 PolarHBondContact O-N 3.28Å; D225-Y227 VanDerWaalsContact O-N 3.12Å | ||
| 226 | H | 35.8 | Very low | 35 | Very low | 172 Ų | 172 | 136.2 Ų | 136.2 | 80% | 0.796 | 78% | 0.78 | S | S | * | * | trans | -67.4 | 105.7 | 172 | -80.2 | -87.4 | 0 | 0 | 0 | 110 | T224 S228 | T224-H226 PolarHBondContact O-CD2 2.91Å; T224-H226 PolarHBondContact O-N 2.85Å; H226-S228 PolarHBondContact O-N 2.72Å | ||
| 227 | Y | 32.3 | Very low | 35.1 | Very low | 233 Ų | 233 | 138 Ų | 138 | 91% | 0.914 | 79% | 0.785 | S | S | * | * | trans | -67.4 | 84.9 | 163.4 | -87.2 | -94.5 | 0 | 0 | 0 | 110.1 | D225 | D225-Y227 PolarHBondContact O-N 3.28Å; D225-Y227 VanDerWaalsContact O-N 3.12Å | ||
| 228 | S | 33.2 | Very low | 35.2 | Very low | 103 Ų | 103 | 136.5 Ų | 136.5 | 72% | 0.72 | 79% | 0.785 | S | S | * | * | trans | -81.8 | 123.9 | 169.1 | -169.6 | 0 | 0 | 0 | 0 | 109.7 | H226 G230 | H226-S228 PolarHBondContact O-N 2.72Å; S228-G230 PolarHBondContact O-N 3.12Å | ||
| 229 | N | 39.1 | Very low | 35.3 | Very low | 172 Ų | 172 | 139.8 Ų | 139.8 | 92% | 0.92 | 79% | 0.792 | S | S | * | * | trans | -71 | 81.4 | 166.8 | -98.2 | -11.2 | 0 | 0 | 0 | 109.1 | ||||
| 230 | G | 31.7 | Very low | 35.1 | Very low | 64 Ų | 64 | 140.7 Ų | 140.7 | 66% | 0.66 | 80% | 0.796 | S | S | * | * | trans | -89.2 | 111.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | S228 G232 | S228-G230 PolarHBondContact O-N 3.12Å; G230-G232 PolarHBondContact O-N 3.11Å | ||
| 231 | V | 34.8 | Very low | 34.6 | Very low | 134 Ų | 134 | 143.1 Ų | 143.1 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | trans | -62.4 | 125.2 | 164.3 | 172.8 | 0 | 0 | 0 | 0 | 108.4 | E233 | V231-E233 PolarHBondContact O-N 3.04Š| ||
| 232 | G | 30 | Very low | 34.2 | Very low | 71 Ų | 71 | 138.4 Ų | 138.4 | 73% | 0.732 | 79% | 0.793 | S | S | * | * | trans | -75.1 | 90.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | G230 | G230-G232 PolarHBondContact O-N 3.11Š| ||
| 233 | E | 31.5 | Very low | 33.3 | Very low | 176 Ų | 176 | 137.1 Ų | 137.1 | 82% | 0.822 | 80% | 0.799 | S | S | * | * | trans | -68.7 | 129.6 | 166.8 | -66.5 | -170.2 | 154.8 | 0 | 0 | 110.5 | V231 S235 | V231-E233 PolarHBondContact O-N 3.04Å; E233-S235 PolarHBondContact O-N 2.93Å | ||
| 234 | T | 30 | Very low | 33.2 | Very low | 137 Ų | 137 | 134.9 Ų | 134.9 | 84% | 0.84 | 80% | 0.803 | S | S | * | * | trans | -81.2 | 97.3 | -174.6 | 45.8 | 0 | 0 | 0 | 0 | 111.7 | S236 | T234-S236 PolarHBondContact O-N 3.41Š| ||
| 235 | S | 31.6 | Very low | 32.9 | Very low | 119 Ų | 119 | 138.9 Ų | 138.9 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | trans | -69.9 | 96 | 171.9 | -68 | 0 | 0 | 0 | 0 | 111.8 | E233 N237 | E233-S235 PolarHBondContact O-N 2.93Å; S235-N237 PolarHBondContact O-N 3.05Å | ||
| 236 | S | 32.1 | Very low | 33 | Very low | 112 Ų | 112 | 140.4 Ų | 140.4 | 78% | 0.783 | 81% | 0.813 | S | S | * | * | trans | -70.5 | 118.2 | 171.4 | 177.3 | 0 | 0 | 0 | 0 | 111.4 | T234 | T234-S236 PolarHBondContact O-N 3.41Š| ||
| 237 | N | 33.3 | Very low | 32.8 | Very low | 159 Ų | 159 | 139.1 Ų | 139.1 | 85% | 0.85 | 81% | 0.812 | S | S | * | * | trans | -103.9 | 106.2 | 165.3 | -90.2 | -17.9 | 0 | 0 | 0 | 109.2 | S235 | S235-N237 PolarHBondContact O-N 3.05Š| ||
| 238 | G | 31.7 | Very low | 33 | Very low | 62 Ų | 62 | 135.8 Ų | 135.8 | 64% | 0.639 | 80% | 0.804 | S | S | * | * | trans | -83 | 134.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 239 | F | 34.7 | Very low | 33 | Very low | 211 Ų | 211 | 138.8 Ų | 138.8 | 93% | 0.925 | 81% | 0.807 | S | S | * | * | trans | -133.2 | 135.1 | 152.2 | -89.2 | -82 | 0 | 0 | 0 | 109.4 | ||||
| 240 | L | 32.5 | Very low | 33 | Very low | 173 Ų | 173 | 139.4 Ų | 139.4 | 91% | 0.906 | 81% | 0.806 | S | S | * | * | trans | -99.7 | 164.9 | -177 | -81.8 | 156.9 | 0 | 0 | 0 | 111.2 | ||||
| 241 | N | 31.8 | Very low | 33.3 | Very low | 172 Ų | 172 | 145.6 Ų | 145.6 | 92% | 0.92 | 82% | 0.818 | S | S | * | * | trans | 80.8 | 134.1 | 170.1 | -144.3 | 31.5 | 0 | 0 | 0 | 115 | ||||
| 242 | G | 30.6 | Very low | 33.4 | Very low | 54 Ų | 54 | 146.2 Ų | 146.2 | 56% | 0.557 | 82% | 0.817 | S | S | * | * | cis | 172.3 | 144.3 | -7.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 243 | S | 30.8 | Very low | 33.5 | Very low | 127 Ų | 127 | 147.8 Ų | 147.8 | 89% | 0.888 | 82% | 0.815 | S | S | * | * | trans | 54.9 | 117.7 | 167.6 | 65.6 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 244 | S | 36 | Very low | 33.9 | Very low | 127 Ų | 127 | 146.6 Ų | 146.6 | 89% | 0.888 | 82% | 0.815 | S | S | * | * | -158.1 | 148.4 | 121.4 | -169.5 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 245 | K | 34.6 | Very low | 34.5 | Very low | 198 Ų | 198 | 145.3 Ų | 145.3 | 86% | 0.861 | 81% | 0.807 | S | S | * | * | trans | -95.7 | 142.4 | -179.4 | -63.5 | 177.3 | 176 | -176.3 | 0 | 110.7 | ||||
| 246 | H | 35.1 | Very low | 34.9 | Very low | 172 Ų | 172 | 147.9 Ų | 147.9 | 80% | 0.796 | 81% | 0.806 | S | S | * | * | trans | -152.1 | 130 | 142.1 | -151.4 | -76.8 | 0 | 0 | 0 | 109.7 | ||||
| 247 | D | 31 | Very low | 35.5 | Very low | 146 Ų | 146 | 151 Ų | 151 | 78% | 0.781 | 81% | 0.81 | S | S | * | * | trans | -68.3 | 142.7 | 167.8 | -77.9 | -58.1 | 0 | 0 | 0 | 109.7 | ||||
| 248 | H | 37.5 | Very low | 36.1 | Very low | 163 Ų | 163 | 152 Ų | 152 | 76% | 0.755 | 81% | 0.809 | S | S | * | * | trans | -154.5 | 134.8 | 131.7 | -109.1 | -61.6 | 0 | 0 | 0 | 111.6 | ||||
| 249 | E | 33.2 | Very low | 36.6 | Very low | 166 Ų | 166 | 154.8 Ų | 154.8 | 78% | 0.776 | 81% | 0.814 | S | S | * | * | trans | -52.7 | 135.7 | -174.3 | -65.8 | 150.2 | 139 | 0 | 0 | 115 | ||||
| 250 | M | 38.8 | Very low | 36.7 | Very low | 184 Ų | 184 | 151.8 Ų | 151.8 | 91% | 0.906 | 81% | 0.808 | S | S | * | * | trans | 4.5 | 114 | 142.2 | -56.7 | -80.1 | -78.5 | 0 | 0 | 116.8 | ||||
| 251 | E | 38.4 | Very low | 36.9 | Very low | 194 Ų | 194 | 147.5 Ų | 147.5 | 91% | 0.907 | 79% | 0.792 | S | S | * | * | trans | -134.6 | 119.1 | 145 | -148.5 | 166 | -145.9 | 0 | 0 | 109 | ||||
| 252 | D | 36 | Very low | 37.4 | Very low | 147 Ų | 147 | 144.5 Ų | 144.5 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | trans | -87 | 109.5 | -172.6 | -167.1 | 20.2 | 0 | 0 | 0 | 108.5 | ||||
| 253 | C | 32 | Very low | 38.1 | Very low | 104 Ų | 104 | 150.2 Ų | 150.2 | 70% | 0.703 | 80% | 0.797 | S | S | * | * | trans | -124.7 | 99.3 | 179.3 | -139 | 0 | 0 | 0 | 0 | 108.4 | T255 | C253-T255 PolarHBondContact O-N 3.32Å; C253-T255 PolarHBondContact O-OG1 2.94Å | ||
| 254 | D | 40.3 | Very low | 39.1 | Very low | 152 Ų | 152 | 151.9 Ų | 151.9 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | trans | -55.5 | 78.6 | 167.3 | -83.2 | -47.1 | 0 | 0 | 0 | 110 | E256 | D254-E256 PolarHBondContact O-N 3.26Š| ||
| 255 | T | 42.2 | Very low | 40.5 | Very low | 110 Ų | 110 | 156.3 Ų | 156.3 | 68% | 0.675 | 79% | 0.792 | S | S | * | * | trans | -84.3 | 97.2 | 168.8 | -53.6 | 0 | 0 | 0 | 0 | 105.3 | C253 M257 | C253-T255 PolarHBondContact O-N 3.32Å; C253-T255 PolarHBondContact O-OG1 2.94Å; T255-M257 PolarHBondContact O-N 3.23Å | ||
| 256 | E | 40.8 | Very low | 42.4 | Very low | 172 Ų | 172 | 155.5 Ų | 155.5 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | -47.6 | 108.7 | 167.8 | -63.9 | -174.5 | 161.3 | 0 | 0 | 107.8 | D254 E258 | D254-E256 PolarHBondContact O-N 3.26Å; E256-E258 PolarHBondContact O-N 2.96Å | ||
| 257 | M | 44.6 | Very low | 44.7 | Very low | 179 Ų | 179 | 152.6 Ų | 152.6 | 88% | 0.882 | 77% | 0.771 | S | S | * | * | trans | -70.9 | 82.6 | 173 | -78.2 | -162.6 | -90.7 | 0 | 0 | 107.2 | T255 V259 | T255-M257 PolarHBondContact O-N 3.23Å; M257-V259 PolarHBondContact O-N 3.25Å | ||
| 258 | E | 45.6 | Very low | 47.3 | Very low | 178 Ų | 178 | 147.8 Ų | 147.8 | 83% | 0.832 | 75% | 0.745 | S | S | * | * | trans | -51.8 | 112.2 | 159.6 | -78.2 | -140.4 | 147.5 | 0 | 0 | 106.3 | E256 D260 | E256-E258 PolarHBondContact O-N 2.96Å; E258-D260 VanDerWaalsContact C-N 3.31Å; E258-D260 PolarHBondContact O-N 3.05Å | ||
| 259 | V | 42.3 | Very low | 49.5 | Very low | 122 Ų | 122 | 140.1 Ų | 140.1 | 74% | 0.739 | 71% | 0.709 | S | S | * | * | trans | -63.8 | 98.5 | 176.7 | 176.1 | 0 | 0 | 0 | 0 | 106.1 | M257 S261 | M257-V259 PolarHBondContact O-N 3.25Å; V259-S261 PolarHBondContact O-N 3.38Å; V259-S261 PolarHBondContact O-OG 2.92Å | ||
| 260 | D | 36.4 | Very low | 51.9 | Low | 147 Ų | 147 | 134.7 Ų | 134.7 | 79% | 0.786 | 70% | 0.698 | S | S | * | * | trans | -60.6 | 87 | 176.1 | -175.3 | 16.5 | 0 | 0 | 0 | 108.3 | E258 S262 | E258-D260 VanDerWaalsContact C-N 3.31Å; E258-D260 PolarHBondContact O-N 3.05Å; D260-S262 PolarHBondContact O-N 3.36Å | ||
| 261 | S | 37.2 | Very low | 54 | Low | 84 Ų | 84 | 127.8 Ų | 127.8 | 59% | 0.587 | 67% | 0.674 | S | S | * | * | trans | -75.4 | 89.3 | -176.4 | -67 | 0 | 0 | 0 | 0 | 105.2 | V259 Q263 | V259-S261 PolarHBondContact O-N 3.38Å; V259-S261 PolarHBondContact O-OG 2.92Å; S261-Q263 PolarHBondContact O-N 3.11Å | ||
| 262 | S | 42.4 | Very low | 56.3 | Low | 109 Ų | 109 | 119.7 Ų | 119.7 | 76% | 0.762 | 64% | 0.639 | S | S | * | * | trans | -63.4 | 28 | -174.9 | 57.1 | 0 | 0 | 0 | 0 | 115.3 | D260 L264 | D260-S262 PolarHBondContact O-N 3.36Å; S262-L264 PolarHBondContact O-N 3.31Å | ||
| 263 | Q | 45.5 | Very low | 58.7 | Low | 174 Ų | 174 | 118.3 Ų | 118.3 | 81% | 0.813 | 63% | 0.628 | S | S | * | * | trans | -61.2 | 85.8 | 143.1 | -64.5 | -172.2 | 11 | 0 | 0 | 108.9 | S261 R265 | S261-Q263 PolarHBondContact O-N 3.11Å; Q263-R265 PolarHBondContact O-N 3.17Å | ||
| 264 | L | 52.2 | Low | 61.5 | Low | 162 Ų | 162 | 115.3 Ų | 115.3 | 85% | 0.848 | 61% | 0.61 | S | S | * | * | trans | -40.1 | 101.8 | 163.7 | -177.6 | 76.8 | 0 | 0 | 0 | 109 | S262 R266 | S262-L264 PolarHBondContact O-N 3.31Å; L264-R266 PolarHBondContact O-N 3.12Å | ||
| 265 | R | 63.6 | Low | 63.8 | Low | 220 Ų | 220 | 108 Ų | 108 | 83% | 0.83 | 57% | 0.572 | S | S | * | * | trans | -52.9 | 113.3 | -174.5 | -89 | -171.3 | 176.7 | 179.4 | 2.2 | 108.1 | Q263 Q267 | Q263-R265 PolarHBondContact O-N 3.17Å; R265-Q267 WeakPolarHBondContact O-CG 3.35Å; R265-Q267 PolarHBondContact O-N 3.44Å; R265-Q267 VanDerWaalsContact O-N 3.12Å | ||
| 266 | R | 76.3 | Confident | 66.1 | Low | 180 Ų | 180 | 105.1 Ų | 105.1 | 68% | 0.679 | 55% | 0.552 | S | S | * | * | trans | -65.3 | 115.6 | 175.9 | -65.5 | -175.4 | -178.6 | 179.4 | 1.4 | 107.3 | L264 W320 | L264-R266 PolarHBondContact O-N 3.12Å; R266-W320 HydrophobicContact CB-CD2 4.06Å; R266-W320 HydrophobicContact CB-CE3 3.87Å; R266-W320 HydrophobicContact CB-CH2 3.68Å; R266-W320 HydrophobicContact CB-CZ2 3.82Å; R266-W320 HydrophobicContact CB-CZ3 3.69Å; R266-W320 VanDerWaalsContact O-CZ3 3.26Å; R266-W320 WeakPolarHBondContact O-CZ3 3.48Å | ||
| 267 | Q | 83 | Confident | 68.6 | Low | 112 Ų | 112 | 102.2 Ų | 102.2 | 52% | 0.523 | 54% | 0.538 | S | S | . | . | trans | -103.6 | 135.2 | -178.1 | -71.2 | 173.6 | 24.4 | 0 | 0 | 109.3 | R265 C269 G270 | R265-Q267 WeakPolarHBondContact O-CG 3.35Å; R265-Q267 PolarHBondContact O-N 3.44Å; R265-Q267 VanDerWaalsContact O-N 3.12Å; Q267-C269 PolarHBondContact O-N 3.2Å; Q267-G270 WeakPolarHBondContact O-CA 3.47Å; Q267-G270 PolarHBondContact O-N 3.22Å | ||
| 268 | L | 84.9 | Confident | 70.9 | Confident | 45 Ų | 45 | 97.7 Ų | 97.7 | 24% | 0.236 | 51% | 0.511 | C | S | . | . | G | 310 helix | trans | -54.3 | 132.2 | 174.3 | -178.2 | 151.7 | 0 | 0 | 0 | 109.4 | V112 G270 G271 I276 M279 L314 P319 | V112-L268 HydrophobicContact CG1-CD1 4.24Å; V112-L268 HydrophobicContact CG1-CG 4.34Å; L268-G270 PolarHBondContact O-N 3.46Å; L268-G270 VanDerWaalsContact O-N 3.11Å; L268-G271 PolarHBondContact O-N 3.08Å; L268-I276 HydrophobicContact CD2-CD1 4.22Å; L268-I276 HydrophobicContact CD2-CG1 3.78Å; L268-I276 HydrophobicContact CD2-CG2 4.36Å; L268-M279 HydrophobicContact CD2-CE 4.09Å; L268-M279 HydrophobicContact CD2-SD 4.12Å; L268-L314 HydrophobicContact CD1-CD2 3.85Å; L268-P319 HydrophobicContact CD1-CG 3.91Å |
| 269 | C | 84.8 | Confident | 73.2 | Confident | 1 Ų | 1 | 89.3 Ų | 89.3 | 1% | 0.007 | 47% | 0.472 | C | S | . | . | G | 310 helix | trans | 51.3 | 29.7 | -173.1 | -59.1 | 0 | 0 | 0 | 0 | 114.8 | M111 V112 V119 Q267 G271 A275 I276 M279 | M111-C269 WeakPolarHBondContact O-CA 3.47Å; M111-C269 PolarHBondContact O-SG 3.44Å; V112-C269 PolarHBondContact O-N 3.33Å; V119-C269 HydrophobicContact CG1-CB 4.05Å; V119-C269 WeakPolarHBondContact CG1-O 3.42Å; Q267-C269 PolarHBondContact O-N 3.2Å; C269-G271 PolarHBondContact O-N 3.25Å; C269-A275 HydrophobicContact CB-CB 3.77Å; C269-I276 HydrophobicContact CB-CG1 3.91Å; C269-M279 PolarHBondContact SG-SD 2.73Å |
| 270 | G | 82.9 | Confident | 75.7 | Confident | 52 Ų | 52 | 86.6 Ų | 86.6 | 54% | 0.536 | 45% | 0.453 | S | S | . | . | G | 310 helix | trans | 64.3 | 20.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q267 L268 S272 | Q267-G270 WeakPolarHBondContact O-CA 3.47Å; Q267-G270 PolarHBondContact O-N 3.22Å; L268-G270 PolarHBondContact O-N 3.46Å; L268-G270 VanDerWaalsContact O-N 3.11Å; G270-S272 VanDerWaalsContact C-N 3.3Å; G270-S272 PolarHBondContact O-N 2.9Å |
| 271 | G | 82.9 | Confident | 78.5 | Confident | 40 Ų | 40 | 85 Ų | 85 | 41% | 0.412 | 44% | 0.44 | S | S | . | . | G | 310 helix | trans | 81.2 | -2.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | L268 C269 | L268-G271 PolarHBondContact O-N 3.08Å; C269-G271 PolarHBondContact O-N 3.25Å |
| 272 | S | 86 | Confident | 81.4 | Confident | 24 Ų | 24 | 81.7 Ų | 81.7 | 17% | 0.168 | 42% | 0.415 | C | S | . | . | trans | -85.2 | 115.9 | -178.3 | -178.1 | 0 | 0 | 0 | 0 | 111.6 | G270 A274 A275 I276 | G270-S272 VanDerWaalsContact C-N 3.3Å; G270-S272 PolarHBondContact O-N 2.9Å; S272-A274 VanDerWaalsContact C-N 3.28Å; S272-A274 PolarHBondContact O-N 3.29Å; S272-A275 WeakPolarHBondContact O-CA 3.38Å; S272-A275 VanDerWaalsContact O-CB 3.29Å; S272-A275 WeakPolarHBondContact O-CB 3.48Å; S272-A275 PolarHBondContact O-N 3.27Å; S272-I276 WeakPolarHBondContact O-CG1 3.48Å; S272-I276 PolarHBondContact O-N 3.33Å | ||
| 273 | Q | 87.9 | Confident | 83.9 | Confident | 117 Ų | 117 | 77 Ų | 77 | 55% | 0.547 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -52.7 | -44 | 176.6 | 178.3 | 62 | 17.4 | 0 | 0 | 112.6 | A275 I276 E277 | Q273-A275 PolarHBondContact O-N 2.98Å; Q273-I276 WeakPolarHBondContact O-CB 3.4Å; Q273-I276 PolarHBondContact O-N 3.06Å; Q273-I276 VanDerWaalsContact O-N 3.13Å; Q273-E277 WeakPolarHBondContact CG-OE1 3.38Å; Q273-E277 PolarHBondContact NE2-OE1 2.83Å; Q273-E277 WeakPolarHBondContact O-CG 3.44Å; Q273-E277 PolarHBondContact O-N 3.35Å |
| 274 | A | 89.4 | Confident | 86.4 | Confident | 41 Ų | 41 | 77.2 Ų | 77.2 | 34% | 0.339 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -69.1 | -16.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | L122 S272 R278 | L122-A274 HydrophobicContact CD1-CB 3.53Å; S272-A274 VanDerWaalsContact C-N 3.28Å; S272-A274 PolarHBondContact O-N 3.29Å; A274-R278 WeakPolarHBondContact O-CG 3.39Å; A274-R278 PolarHBondContact O-NE 3.24Å |
| 275 | A | 89.4 | Confident | 88.5 | Confident | 0 Ų | 0 | 74.5 Ų | 74.5 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -82.9 | -38.8 | 168.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V119 C269 S272 Q273 R278 M279 | V119-A275 HydrophobicContact CB-CB 4.05Å; V119-A275 HydrophobicContact CG1-CB 3.6Å; V119-A275 HydrophobicContact CG2-CB 3.97Å; C269-A275 HydrophobicContact CB-CB 3.77Å; S272-A275 WeakPolarHBondContact O-CA 3.38Å; S272-A275 VanDerWaalsContact O-CB 3.29Å; S272-A275 WeakPolarHBondContact O-CB 3.48Å; S272-A275 PolarHBondContact O-N 3.27Å; Q273-A275 PolarHBondContact O-N 2.98Å; A275-R278 PolarHBondContact O-N 3.03Å; A275-M279 WeakPolarHBondContact O-CB 3.16Å; A275-M279 PolarHBondContact O-N 3.15Å |
| 276 | I | 91.1 | Very high | 90.1 | Very high | 49 Ų | 49 | 64.1 Ų | 64.1 | 25% | 0.251 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -58.8 | -47.8 | 172.8 | -59.2 | 175 | 0 | 0 | 0 | 110.1 | L268 C269 S272 Q273 R278 M279 I280 | L268-I276 HydrophobicContact CD2-CD1 4.22Å; L268-I276 HydrophobicContact CD2-CG1 3.78Å; L268-I276 HydrophobicContact CD2-CG2 4.36Å; C269-I276 HydrophobicContact CB-CG1 3.91Å; S272-I276 WeakPolarHBondContact O-CG1 3.48Å; S272-I276 PolarHBondContact O-N 3.33Å; Q273-I276 WeakPolarHBondContact O-CB 3.4Å; Q273-I276 PolarHBondContact O-N 3.06Å; Q273-I276 VanDerWaalsContact O-N 3.13Å; I276-R278 VanDerWaalsContact C-N 3.34Å; I276-R278 PolarHBondContact O-N 2.56Å; I276-M279 HydrophobicContact CG2-CE 4.31Å; I276-M279 WeakPolarHBondContact O-CB 3.21Å; I276-M279 PolarHBondContact O-N 3.34Å; I276-I280 HydrophobicContact CG2-CG1 4.46Å; I276-I280 WeakPolarHBondContact O-CG1 3.49Å; I276-I280 PolarHBondContact O-N 2.71Å |
| 277 | E | 92.1 | Very high | 91 | Very high | 111 Ų | 111 | 59 Ų | 59 | 52% | 0.519 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60 | -41.9 | 179.1 | -73.6 | 169.4 | -168 | 0 | 0 | 112.4 | Q273 I280 H281 | Q273-E277 WeakPolarHBondContact CG-OE1 3.38Å; Q273-E277 PolarHBondContact NE2-OE1 2.83Å; Q273-E277 WeakPolarHBondContact O-CG 3.44Å; Q273-E277 PolarHBondContact O-N 3.35Å; E277-I280 PolarHBondContact O-N 2.85Å; E277-H281 PolarHBondContact O-N 3.34Å |
| 278 | R | 92.6 | Very high | 91.7 | Very high | 83 Ų | 83 | 56.2 Ų | 56.2 | 31% | 0.313 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -69.8 | -38.6 | 176 | -73.3 | -178.9 | -63.5 | 142.6 | 14.4 | 112.8 | E118 A274 A275 I276 I280 H281 F282 | E118-R278 PolarHBondContact O-NH1 3.34Å; E118-R278 PolarHBondContact O-NH2 3.24Å; A274-R278 WeakPolarHBondContact O-CG 3.39Å; A274-R278 PolarHBondContact O-NE 3.24Å; A275-R278 PolarHBondContact O-N 3.03Å; I276-R278 VanDerWaalsContact C-N 3.34Å; I276-R278 PolarHBondContact O-N 2.56Å; R278-I280 VanDerWaalsContact C-N 3.32Å; R278-I280 PolarHBondContact O-N 3.3Å; R278-H281 PolarHBondContact O-N 3.24Å; R278-F282 WeakPolarHBondContact O-CB 3.45Å; R278-F282 PolarHBondContact O-N 3.37Å |
| 279 | M | 94.6 | Very high | 92.2 | Very high | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.01 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.1 | -41 | 171.1 | 178.1 | -150.1 | 65.1 | 0 | 0 | 111.5 | F108 M111 V112 L268 C269 A275 I276 F282 G283 L314 | F108-M279 HydrophobicContact CD2-CG 4.09Å; F108-M279 HydrophobicContact CE2-CG 3.74Å; F108-M279 HydrophobicContact CE2-SD 4.41Å; F108-M279 HydrophobicContact CZ-CG 4.38Å; F108-M279 HydrophobicContact CZ-SD 4.5Å; M111-M279 HydrophobicContact CB-CB 4.23Å; M111-M279 HydrophobicContact CB-CG 4.03Å; M111-M279 HydrophobicContact CE-CB 4.35Å; V112-M279 HydrophobicContact CB-SD 4.28Å; V112-M279 HydrophobicContact CG2-CG 4.33Å; V112-M279 HydrophobicContact CG2-SD 3.48Å; V112-M279 WeakPolarHBondContact CG2-SD 3.42Å; L268-M279 HydrophobicContact CD2-CE 4.09Å; L268-M279 HydrophobicContact CD2-SD 4.12Å; C269-M279 PolarHBondContact SG-SD 2.73Å; A275-M279 WeakPolarHBondContact O-CB 3.16Å; A275-M279 PolarHBondContact O-N 3.15Å; I276-M279 HydrophobicContact CG2-CE 4.31Å; I276-M279 WeakPolarHBondContact O-CB 3.21Å; I276-M279 PolarHBondContact O-N 3.34Å; M279-F282 PolarHBondContact O-N 3.36Å; M279-G283 PolarHBondContact O-N 3.07Å; M279-L314 HydrophobicContact CE-CD1 4.14Å; M279-L314 HydrophobicContact CE-CD2 3.67Å; M279-L314 HydrophobicContact SD-CD2 3.97Å |
| 280 | I | 94.4 | Very high | 92.7 | Very high | 66 Ų | 66 | 58 Ų | 58 | 34% | 0.338 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -67.2 | -40.5 | 175.9 | -67.1 | -66.3 | 0 | 0 | 0 | 111.6 | I276 E277 R278 G283 R284 L314 | I276-I280 HydrophobicContact CG2-CG1 4.46Å; I276-I280 WeakPolarHBondContact O-CG1 3.49Å; I276-I280 PolarHBondContact O-N 2.71Å; E277-I280 PolarHBondContact O-N 2.85Å; R278-I280 VanDerWaalsContact C-N 3.32Å; R278-I280 PolarHBondContact O-N 3.3Å; I280-G283 PolarHBondContact O-N 3.12Å; I280-R284 WeakPolarHBondContact O-CG 3.48Å; I280-R284 PolarHBondContact O-N 2.74Å; I280-L314 HydrophobicContact CD1-CD1 3.9Å |
| 281 | H | 95.7 | Very high | 93.2 | Very high | 113 Ų | 113 | 59.1 Ų | 59.1 | 52% | 0.523 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59.5 | -52.7 | 173.2 | -172.6 | -80.7 | 0 | 0 | 0 | 111.1 | E277 R278 G283 R284 E285 | E277-H281 PolarHBondContact O-N 3.34Å; R278-H281 PolarHBondContact O-N 3.24Å; H281-G283 VanDerWaalsContact C-N 3.27Å; H281-G283 PolarHBondContact O-N 2.98Å; H281-R284 WeakPolarHBondContact O-CA 3.33Å; H281-R284 WeakPolarHBondContact O-CB 3.15Å; H281-R284 PolarHBondContact O-N 3.31Å; H281-E285 VanDerWaalsContact CE1-CD 3.41Å; H281-E285 IonicContact CE1-OE1 3.82Å; H281-E285 IonicContact CE1-OE2 3.28Å; H281-E285 PolarHBondContact CE1-OE2 2.98Å; H281-E285 VanDerWaalsContact CE1-OE2 3.28Å; H281-E285 IonicContact CG-OE2 2.71Å; H281-E285 VanDerWaalsContact ND1-CD 3.34Å; H281-E285 IonicContact ND1-OE2 2.75Å; H281-E285 PolarHBondContact ND1-OE2 2.9Å; H281-E285 PolarHBondContact O-N 2.74Å; H281-E285 VanDerWaalsContact O-N 3.12Å |
| 282 | F | 96.9 | Very high | 93.7 | Very high | 15 Ų | 15 | 61.2 Ų | 61.2 | 7% | 0.066 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -56.5 | -39.9 | 177.4 | -173.3 | -78.5 | 0 | 0 | 0 | 112.2 | K104 Q107 F108 M111 R278 M279 R284 E285 L286 | K104-F282 HydrophobicContact CB-CZ 4.16Å; K104-F282 HydrophobicContact CD-CE2 3.85Å; K104-F282 HydrophobicContact CD-CZ 3.48Å; K104-F282 VanDerWaalsContact CD-CZ 3.48Å; K104-F282 HydrophobicContact CG-CZ 4.45Å; K104-F282 VanDerWaalsContact O-CE1 3.28Å; K104-F282 WeakPolarHBondContact O-CE1 3.42Å; Q107-F282 HydrophobicContact CB-CE1 4.45Å; Q107-F282 HydrophobicContact CB-CZ 3.85Å; Q107-F282 HydrophobicContact CG-CE2 4.13Å; Q107-F282 HydrophobicContact CG-CZ 3.89Å; Q107-F282 VanDerWaalsContact OE1-CE2 3.23Å; F108-F282 HydrophobicContact CB-CD1 3.98Å; F108-F282 HydrophobicContact CB-CE1 3.82Å; F108-F282 HydrophobicContact CD2-CD1 4.1Å; M111-F282 HydrophobicContact CE-CB 4.01Å; M111-F282 HydrophobicContact CE-CD2 4.38Å; M111-F282 HydrophobicContact CE-CG 4.26Å; M111-F282 HydrophobicContact SD-CB 3.99Å; M111-F282 HydrophobicContact SD-CD1 3.99Å; M111-F282 HydrophobicContact SD-CD2 3.95Å; M111-F282 HydrophobicContact SD-CE1 4.47Å; M111-F282 HydrophobicContact SD-CE2 4.4Å; M111-F282 HydrophobicContact SD-CG 3.71Å; R278-F282 WeakPolarHBondContact O-CB 3.45Å; R278-F282 PolarHBondContact O-N 3.37Å; M279-F282 PolarHBondContact O-N 3.36Å; F282-R284 VanDerWaalsContact C-N 3.29Å; F282-R284 PolarHBondContact O-N 2.9Å; F282-E285 PolarHBondContact O-N 2.97Å; F282-L286 HydrophobicContact CE1-CB 4.46Å; F282-L286 HydrophobicContact CE1-CD2 4.4Å; F282-L286 VanDerWaalsContact O-CB 3.31Å; F282-L286 WeakPolarHBondContact O-CB 3.28Å; F282-L286 PolarHBondContact O-N 3.43Å |
| 283 | G | 96.8 | Very high | 94 | Very high | 9 Ų | 9 | 60.7 Ų | 60.7 | 9% | 0.093 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.4 | -36.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | M279 I280 H281 Q287 F311 | M279-G283 PolarHBondContact O-N 3.07Å; I280-G283 PolarHBondContact O-N 3.12Å; H281-G283 VanDerWaalsContact C-N 3.27Å; H281-G283 PolarHBondContact O-N 2.98Å; G283-Q287 PolarHBondContact O-N 2.96Å; G283-F311 VanDerWaalsContact O-CZ 3.3Å; G283-F311 WeakPolarHBondContact O-CZ 3.4Å |
| 284 | R | 97.1 | Very high | 94.3 | Very high | 180 Ų | 180 | 61.9 Ų | 61.9 | 68% | 0.679 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -70.5 | -41.6 | 174.8 | -63.8 | 175.6 | -172.5 | -79.4 | -0 | 111.8 | I280 H281 F282 L286 Q287 A288 | I280-R284 WeakPolarHBondContact O-CG 3.48Å; I280-R284 PolarHBondContact O-N 2.74Å; H281-R284 WeakPolarHBondContact O-CA 3.33Å; H281-R284 WeakPolarHBondContact O-CB 3.15Å; H281-R284 PolarHBondContact O-N 3.31Å; F282-R284 VanDerWaalsContact C-N 3.29Å; F282-R284 PolarHBondContact O-N 2.9Å; R284-L286 VanDerWaalsContact C-N 3.33Å; R284-Q287 PolarHBondContact O-N 3.34Å; R284-A288 PolarHBondContact O-N 3.01Å |
| 285 | E | 96.9 | Very high | 94.4 | Very high | 105 Ų | 105 | 67 Ų | 67 | 49% | 0.491 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.3 | -41.3 | 174.8 | -64.8 | 175.8 | 99 | 0 | 0 | 111.5 | H281 F282 A288 M289 | H281-E285 VanDerWaalsContact CE1-CD 3.41Å; H281-E285 IonicContact CE1-OE1 3.82Å; H281-E285 IonicContact CE1-OE2 3.28Å; H281-E285 PolarHBondContact CE1-OE2 2.98Å; H281-E285 VanDerWaalsContact CE1-OE2 3.28Å; H281-E285 IonicContact CG-OE2 2.71Å; H281-E285 VanDerWaalsContact ND1-CD 3.34Å; H281-E285 IonicContact ND1-OE2 2.75Å; H281-E285 PolarHBondContact ND1-OE2 2.9Å; H281-E285 PolarHBondContact O-N 2.74Å; H281-E285 VanDerWaalsContact O-N 3.12Å; F282-E285 PolarHBondContact O-N 2.97Å; E285-A288 PolarHBondContact O-N 3.13Å; E285-M289 WeakPolarHBondContact O-CB 3.49Å; E285-M289 PolarHBondContact O-N 3.12Å |
| 286 | L | 96.3 | Very high | 94.5 | Very high | 2 Ų | 2 | 72 Ų | 72 | 1% | 0.01 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.9 | -39.6 | 176.8 | -174.2 | 64.9 | 0 | 0 | 0 | 112.4 | F101 K104 V105 F108 F282 R284 M289 S290 L307 F311 | F101-L286 HydrophobicContact CD2-CD1 3.95Å; F101-L286 HydrophobicContact CE2-CD1 3.68Å; F101-L286 HydrophobicContact CE2-CG 4.24Å; F101-L286 HydrophobicContact CZ-CD1 4.47Å; K104-L286 HydrophobicContact CB-CD1 3.79Å; V105-L286 HydrophobicContact CB-CD2 4.49Å; V105-L286 HydrophobicContact CG2-CD1 3.98Å; V105-L286 HydrophobicContact CG2-CD2 4.06Å; V105-L286 HydrophobicContact CG2-CG 4.4Å; F108-L286 HydrophobicContact CB-CD2 3.97Å; F108-L286 HydrophobicContact CG-CD2 4.35Å; F282-L286 HydrophobicContact CE1-CB 4.46Å; F282-L286 HydrophobicContact CE1-CD2 4.4Å; F282-L286 VanDerWaalsContact O-CB 3.31Å; F282-L286 WeakPolarHBondContact O-CB 3.28Å; F282-L286 PolarHBondContact O-N 3.43Å; R284-L286 VanDerWaalsContact C-N 3.33Å; L286-M289 PolarHBondContact O-N 3.3Å; L286-S290 PolarHBondContact O-N 2.89Å; L286-L307 HydrophobicContact CD2-CD1 3.66Å; L286-L307 HydrophobicContact CG-CD1 3.66Å; L286-F311 HydrophobicContact CD2-CE1 4.14Å; L286-F311 HydrophobicContact CD2-CZ 4.33Å |
| 287 | Q | 96.1 | Very high | 94.2 | Very high | 71 Ų | 71 | 73.5 Ų | 73.5 | 33% | 0.332 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.5 | -46.6 | 171.6 | 176.5 | 62.8 | 28.9 | 0 | 0 | 111.2 | G283 R284 M289 S290 E291 F311 | G283-Q287 PolarHBondContact O-N 2.96Å; R284-Q287 PolarHBondContact O-N 3.34Å; Q287-M289 VanDerWaalsContact C-N 3.34Å; Q287-M289 PolarHBondContact O-N 3.3Å; Q287-S290 WeakPolarHBondContact O-CB 3.33Å; Q287-S290 PolarHBondContact O-N 3.38Å; Q287-E291 PolarHBondContact NE2-OE1 3.06Å; Q287-E291 PolarHBondContact O-N 3.1Å; Q287-F311 HydrophobicContact CB-CE2 4.33Å; Q287-F311 HydrophobicContact CB-CZ 4.45Å |
| 288 | A | 96.4 | Very high | 94 | Very high | 55 Ų | 55 | 69.8 Ų | 69.8 | 46% | 0.455 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.3 | -41.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | R284 E285 S290 E291 Q292 | R284-A288 PolarHBondContact O-N 3.01Å; E285-A288 PolarHBondContact O-N 3.13Å; A288-S290 PolarHBondContact O-N 3.41Å; A288-E291 PolarHBondContact O-N 2.72Å; A288-Q292 PolarHBondContact O-N 2.99Å |
| 289 | M | 95.3 | Very high | 93.8 | Very high | 62 Ų | 62 | 75.5 Ų | 75.5 | 31% | 0.305 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.2 | -41.9 | 173.6 | -173.9 | -177.4 | -69.3 | 0 | 0 | 112 | F101 K104 E285 L286 Q287 E291 Q292 L293 | F101-M289 HydrophobicContact CB-SD 4.31Å; F101-M289 HydrophobicContact CD2-CB 4.44Å; F101-M289 HydrophobicContact CD2-CG 4.01Å; F101-M289 HydrophobicContact CD2-SD 3.92Å; K104-M289 HydrophobicContact CG-CE 4.34Å; E285-M289 WeakPolarHBondContact O-CB 3.49Å; E285-M289 PolarHBondContact O-N 3.12Å; L286-M289 PolarHBondContact O-N 3.3Å; Q287-M289 VanDerWaalsContact C-N 3.34Å; Q287-M289 PolarHBondContact O-N 3.3Å; M289-E291 VanDerWaalsContact C-N 3.29Å; M289-E291 PolarHBondContact O-N 2.86Å; M289-Q292 PolarHBondContact O-N 3.01Å; M289-L293 HydrophobicContact CG-CD1 4.38Å; M289-L293 WeakPolarHBondContact O-CB 3.49Å; M289-L293 PolarHBondContact O-N 3.49Å |
| 290 | S | 95.1 | Very high | 93.6 | Very high | 21 Ų | 21 | 78.3 Ų | 78.3 | 15% | 0.147 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -63.6 | -35.2 | 175.3 | -174.6 | 0 | 0 | 0 | 0 | 112.6 | L286 Q287 A288 R294 | L286-S290 PolarHBondContact O-N 2.89Å; Q287-S290 WeakPolarHBondContact O-CB 3.33Å; Q287-S290 PolarHBondContact O-N 3.38Å; A288-S290 PolarHBondContact O-N 3.41Å; S290-R294 WeakPolarHBondContact O-CB 3.47Å; S290-R294 PolarHBondContact O-N 3.47Å; S290-R294 VanDerWaalsContact O-N 3.08Å |
| 291 | E | 94.3 | Very high | 93.5 | Very high | 76 Ų | 76 | 80.8 Ų | 80.8 | 36% | 0.355 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -74.3 | -35.2 | 177.9 | -71.8 | -179.4 | -165.6 | 0 | 0 | 112.4 | Q287 A288 M289 R294 R295 | Q287-E291 PolarHBondContact NE2-OE1 3.06Å; Q287-E291 PolarHBondContact O-N 3.1Å; A288-E291 PolarHBondContact O-N 2.72Å; M289-E291 VanDerWaalsContact C-N 3.29Å; M289-E291 PolarHBondContact O-N 2.86Å; E291-R294 PolarHBondContact O-N 3.34Å; E291-R295 WeakPolarHBondContact O-CG 3.42Å; E291-R295 PolarHBondContact O-N 2.68Å; E291-R295 VanDerWaalsContact O-N 3.15Å; E291-R295 PolarHBondContact O-NE 3.21Å |
| 292 | Q | 93.7 | Very high | 93.3 | Very high | 83 Ų | 83 | 78 Ų | 78 | 39% | 0.388 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -60.7 | -55.2 | 170.4 | -172.2 | 66.3 | 35.9 | 0 | 0 | 110.7 | A288 M289 R294 R295 D296 | A288-Q292 PolarHBondContact O-N 2.99Å; M289-Q292 PolarHBondContact O-N 3.01Å; Q292-R294 PolarHBondContact O-N 3.16Å; Q292-R295 WeakPolarHBondContact O-CA 3.34Å; Q292-R295 WeakPolarHBondContact O-CB 3.4Å; Q292-R295 PolarHBondContact O-N 3.33Å; Q292-R295 VanDerWaalsContact OE1-CZ 3.27Å; Q292-D296 WeakPolarHBondContact CG-OD2 3.38Å; Q292-D296 VanDerWaalsContact NE2-CG 3.32Å; Q292-D296 PolarHBondContact NE2-OD1 2.95Å; Q292-D296 VanDerWaalsContact NE2-OD1 3.12Å; Q292-D296 PolarHBondContact NE2-OD2 3.02Å; Q292-D296 PolarHBondContact O-N 3.01Å |
| 293 | L | 93 | Very high | 93.1 | Very high | 14 Ų | 14 | 78 Ų | 78 | 7% | 0.073 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -54.6 | -38 | 176 | -90.6 | 163.7 | 0 | 0 | 0 | 113.2 | P97 F101 M289 R295 C297 | P97-L293 HydrophobicContact CB-CD2 3.95Å; P97-L293 HydrophobicContact CG-CD2 4.1Å; F101-L293 HydrophobicContact CB-CD1 3.48Å; F101-L293 VanDerWaalsContact CB-CD1 3.48Å; F101-L293 HydrophobicContact CD1-CD1 4.48Å; F101-L293 HydrophobicContact CD2-CD1 3.86Å; F101-L293 HydrophobicContact CG-CD1 3.68Å; M289-L293 HydrophobicContact CG-CD1 4.38Å; M289-L293 WeakPolarHBondContact O-CB 3.49Å; M289-L293 PolarHBondContact O-N 3.49Å; L293-R295 VanDerWaalsContact C-N 3.33Å; L293-C297 WeakPolarHBondContact O-CA 3.07Å; L293-C297 WeakPolarHBondContact O-CB 2.97Å; L293-C297 PolarHBondContact O-N 3.05Å |
| 294 | R | 92.5 | Very high | 92.9 | Very high | 142 Ų | 142 | 85 Ų | 85 | 54% | 0.536 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -67 | -32.8 | 176.3 | -176.3 | -174.9 | 63.3 | 173.2 | -5.5 | 112.9 | S290 E291 Q292 G298 | S290-R294 WeakPolarHBondContact O-CB 3.47Å; S290-R294 PolarHBondContact O-N 3.47Å; S290-R294 VanDerWaalsContact O-N 3.08Å; E291-R294 PolarHBondContact O-N 3.34Å; Q292-R294 PolarHBondContact O-N 3.16Å; R294-G298 WeakPolarHBondContact CA-O 3.46Å; R294-G298 VanDerWaalsContact O-CA 3.28Å; R294-G298 WeakPolarHBondContact O-CA 3.32Å; R294-G298 PolarHBondContact O-N 2.95Å |
| 295 | R | 92.4 | Very high | 92.8 | Very high | 147 Ų | 147 | 82.7 Ų | 82.7 | 56% | 0.555 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -76.1 | -41.7 | 176.9 | -75.5 | -177.9 | -83.4 | 97.9 | -5.8 | 111.2 | E291 Q292 L293 | E291-R295 WeakPolarHBondContact O-CG 3.42Å; E291-R295 PolarHBondContact O-N 2.68Å; E291-R295 VanDerWaalsContact O-N 3.15Å; E291-R295 PolarHBondContact O-NE 3.21Å; Q292-R295 WeakPolarHBondContact O-CA 3.34Å; Q292-R295 WeakPolarHBondContact O-CB 3.4Å; Q292-R295 PolarHBondContact O-N 3.33Å; Q292-R295 VanDerWaalsContact OE1-CZ 3.27Å; L293-R295 VanDerWaalsContact C-N 3.33Å |
| 296 | D | 90.4 | Very high | 92.7 | Very high | 106 Ų | 106 | 80.3 Ų | 80.3 | 57% | 0.567 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -86.8 | -36 | -171.8 | -55.6 | -14.4 | 0 | 0 | 0 | 113.1 | Q292 | Q292-D296 WeakPolarHBondContact CG-OD2 3.38Å; Q292-D296 VanDerWaalsContact NE2-CG 3.32Å; Q292-D296 PolarHBondContact NE2-OD1 2.95Å; Q292-D296 VanDerWaalsContact NE2-OD1 3.12Å; Q292-D296 PolarHBondContact NE2-OD2 3.02Å; Q292-D296 PolarHBondContact O-N 3.01Å |
| 297 | C | 85.8 | Confident | 92.6 | Very high | 80 Ų | 80 | 80.6 Ų | 80.6 | 54% | 0.541 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -117.4 | 1 | -175.3 | -55.5 | 0 | 0 | 0 | 0 | 113.9 | L293 | L293-C297 WeakPolarHBondContact O-CA 3.07Å; L293-C297 WeakPolarHBondContact O-CB 2.97Å; L293-C297 PolarHBondContact O-N 3.05Å |
| 298 | G | 88.6 | Confident | 92.6 | Very high | 33 Ų | 33 | 84.1 Ų | 84.1 | 34% | 0.34 | 43% | 0.425 | S | S | . | . | trans | 79.2 | -163.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115 | R294 N300 | R294-G298 WeakPolarHBondContact CA-O 3.46Å; R294-G298 VanDerWaalsContact O-CA 3.28Å; R294-G298 WeakPolarHBondContact O-CA 3.32Å; R294-G298 PolarHBondContact O-N 2.95Å; G298-N300 PolarHBondContact O-N 3.12Å | ||
| 299 | K | 87.7 | Confident | 92.5 | Very high | 203 Ų | 203 | 82.6 Ų | 82.6 | 88% | 0.883 | 41% | 0.409 | S | S | * | . | trans | -80.4 | 102.4 | -171.5 | -66.9 | 177.4 | -176.3 | 171.2 | 0 | 112 | ||||
| 300 | N | 90.1 | Very high | 92.6 | Very high | 62 Ų | 62 | 79.6 Ų | 79.6 | 33% | 0.332 | 39% | 0.394 | S | S | . | . | trans | -95.3 | 113.8 | 167.3 | -174.7 | -26.4 | 0 | 0 | 0 | 110.8 | N98 G298 A302 N303 K304 | N98-N300 PolarHBondContact OD1-ND2 2.83Å; N98-N300 VanDerWaalsContact OD1-ND2 3.15Å; G298-N300 PolarHBondContact O-N 3.12Å; N300-A302 WeakPolarHBondContact OD1-CB 3.38Å; N300-A302 PolarHBondContact OD1-N 3.5Å; N300-N303 HydrophobicContact CB-CB 4.06Å; N300-N303 PolarHBondContact ND2-ND2 3.48Å; N300-N303 PolarHBondContact ND2-OD1 3.24Å; N300-N303 PolarHBondContact OD1-N 3.02Å; N300-N303 VanDerWaalsContact OD1-N 3.07Å; N300-K304 PolarHBondContact O-N 2.71Å | ||
| 301 | T | 92.3 | Very high | 92.7 | Very high | 118 Ų | 118 | 81.3 Ų | 81.3 | 72% | 0.724 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -72.3 | -33.4 | -179.7 | 48.9 | 0 | 0 | 0 | 0 | 113.1 | K305 | T301-K305 WeakPolarHBondContact O-CB 3.26Å; T301-K305 PolarHBondContact O-N 3.33Å |
| 302 | A | 92.1 | Very high | 92.7 | Very high | 55 Ų | 55 | 79.4 Ų | 79.4 | 46% | 0.455 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -67.4 | -48.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | N300 K304 K305 M306 | N300-A302 WeakPolarHBondContact OD1-CB 3.38Å; N300-A302 PolarHBondContact OD1-N 3.5Å; A302-K304 VanDerWaalsContact C-N 3.31Å; A302-K304 PolarHBondContact O-N 3.34Å; A302-K305 PolarHBondContact O-N 2.96Å; A302-K305 VanDerWaalsContact O-N 3.1Å; A302-M306 PolarHBondContact O-N 3.02Å |
| 303 | N | 91.4 | Very high | 92.8 | Very high | 13 Ų | 13 | 75.4 Ų | 75.4 | 7% | 0.07 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -57.4 | -44.8 | 175.7 | -67.6 | 10.9 | 0 | 0 | 0 | 111.2 | N98 F101 N300 K305 M306 L307 | N98-N303 PolarHBondContact OD1-ND2 3.45Å; F101-N303 HydrophobicContact CD1-CB 3.93Å; F101-N303 HydrophobicContact CE1-CB 3.61Å; N300-N303 HydrophobicContact CB-CB 4.06Å; N300-N303 PolarHBondContact ND2-ND2 3.48Å; N300-N303 PolarHBondContact ND2-OD1 3.24Å; N300-N303 PolarHBondContact OD1-N 3.02Å; N300-N303 VanDerWaalsContact OD1-N 3.07Å; N303-K305 VanDerWaalsContact C-N 3.35Å; N303-K305 PolarHBondContact O-N 3.35Å; N303-M306 PolarHBondContact O-N 2.91Å; N303-L307 WeakPolarHBondContact O-CB 3.41Å; N303-L307 PolarHBondContact O-N 3.33Å |
| 304 | K | 93.3 | Very high | 92.8 | Very high | 158 Ų | 158 | 77.8 Ų | 77.8 | 69% | 0.687 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -62 | -40.5 | 176.7 | -175.8 | -178.9 | 177.5 | -174.7 | 0 | 112.2 | N300 A302 K308 | N300-K304 PolarHBondContact O-N 2.71Å; A302-K304 VanDerWaalsContact C-N 3.31Å; A302-K304 PolarHBondContact O-N 3.34Å; K304-K308 WeakPolarHBondContact O-CB 3.26Å; K304-K308 PolarHBondContact O-N 3.26Å; K304-K308 VanDerWaalsContact O-N 3.13Å |
| 305 | K | 94.8 | Very high | 92.9 | Very high | 131 Ų | 131 | 74.9 Ų | 74.9 | 57% | 0.57 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -65.2 | -53.6 | 177 | -176.7 | -177.2 | -177.8 | -63.3 | 0 | 110.6 | T301 A302 N303 L307 K308 D309 | T301-K305 WeakPolarHBondContact O-CB 3.26Å; T301-K305 PolarHBondContact O-N 3.33Å; A302-K305 PolarHBondContact O-N 2.96Å; A302-K305 VanDerWaalsContact O-N 3.1Å; N303-K305 VanDerWaalsContact C-N 3.35Å; N303-K305 PolarHBondContact O-N 3.35Å; K305-L307 VanDerWaalsContact C-N 3.32Å; K305-L307 PolarHBondContact O-N 3.11Å; K305-K308 PolarHBondContact O-N 3.28Å; K305-K308 VanDerWaalsContact O-N 3.12Å; K305-D309 WeakPolarHBondContact CG-OD2 3.3Å; K305-D309 IonicContact NZ-OD2 3.99Å; K305-D309 PolarHBondContact NZ-OD2 2.75Å; K305-D309 PolarHBondContact O-N 3.42Å |
| 306 | M | 94.4 | Very high | 92.9 | Very high | 54 Ų | 54 | 73.1 Ų | 73.1 | 27% | 0.266 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -52.4 | -47.5 | 178.2 | -88.5 | -177.2 | 57.7 | 0 | 0 | 112.7 | T102 V105 A302 N303 D309 A310 | T102-M306 HydrophobicContact CG2-CE 3.99Å; T102-M306 HydrophobicContact CG2-SD 4.47Å; V105-M306 HydrophobicContact CB-CE 3.69Å; V105-M306 HydrophobicContact CG1-CB 4.29Å; V105-M306 HydrophobicContact CG1-CE 3.74Å; V105-M306 HydrophobicContact CG2-CE 4.17Å; A302-M306 PolarHBondContact O-N 3.02Å; N303-M306 PolarHBondContact O-N 2.91Å; M306-D309 PolarHBondContact O-N 2.98Å; M306-A310 VanDerWaalsContact O-CB 3.32Å; M306-A310 WeakPolarHBondContact O-CB 3.34Å; M306-A310 PolarHBondContact O-N 3.12Å |
| 307 | L | 95.4 | Very high | 92.7 | Very high | 9 Ų | 9 | 74.8 Ų | 74.8 | 5% | 0.047 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -63.8 | -43.4 | 178.9 | -170.3 | 66.7 | 0 | 0 | 0 | 112.2 | F101 V105 L286 N303 K305 F311 | F101-L307 HydrophobicContact CZ-CB 4.17Å; F101-L307 HydrophobicContact CZ-CD1 4.1Å; F101-L307 HydrophobicContact CZ-CD2 4.31Å; F101-L307 HydrophobicContact CZ-CG 4.45Å; V105-L307 HydrophobicContact CG2-CD1 4.45Å; L286-L307 HydrophobicContact CD2-CD1 3.66Å; L286-L307 HydrophobicContact CG-CD1 3.66Å; N303-L307 WeakPolarHBondContact O-CB 3.41Å; N303-L307 PolarHBondContact O-N 3.33Å; K305-L307 VanDerWaalsContact C-N 3.32Å; K305-L307 PolarHBondContact O-N 3.11Å; L307-F311 HydrophobicContact CD1-CD2 4.23Å; L307-F311 HydrophobicContact CD1-CE1 3.97Å; L307-F311 HydrophobicContact CD1-CE2 3.58Å; L307-F311 HydrophobicContact CD1-CZ 3.43Å; L307-F311 VanDerWaalsContact CD1-CZ 3.43Å; L307-F311 HydrophobicContact CD2-CE2 4.12Å; L307-F311 HydrophobicContact CG-CD2 4.03Å; L307-F311 HydrophobicContact CG-CE2 3.66Å; L307-F311 HydrophobicContact CG-CZ 4.07Å; L307-F311 WeakPolarHBondContact O-CB 3.5Å; L307-F311 WeakPolarHBondContact O-CG 3.42Å; L307-F311 PolarHBondContact O-N 2.96Å |
| 308 | K | 95.5 | Very high | 92.9 | Very high | 144 Ų | 144 | 73.9 Ų | 73.9 | 63% | 0.626 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -62.6 | -46 | 177.4 | -170.9 | -162.5 | 174.4 | -161.7 | 0 | 111 | K304 K305 F311 S312 | K304-K308 WeakPolarHBondContact O-CB 3.26Å; K304-K308 PolarHBondContact O-N 3.26Å; K304-K308 VanDerWaalsContact O-N 3.13Å; K305-K308 PolarHBondContact O-N 3.28Å; K305-K308 VanDerWaalsContact O-N 3.12Å; K308-F311 PolarHBondContact O-N 3.46Å; K308-S312 WeakPolarHBondContact O-CB 3.48Å; K308-S312 PolarHBondContact O-N 2.88Å; K308-S312 PolarHBondContact O-OG 3.26Å |
| 309 | D | 95.4 | Very high | 93.1 | Very high | 23 Ų | 23 | 72.5 Ų | 72.5 | 12% | 0.123 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -65.3 | -44.8 | -178.3 | -62.7 | -11.8 | 0 | 0 | 0 | 110.2 | K305 M306 S312 V324 | K305-D309 WeakPolarHBondContact CG-OD2 3.3Å; K305-D309 IonicContact NZ-OD2 3.99Å; K305-D309 PolarHBondContact NZ-OD2 2.75Å; K305-D309 PolarHBondContact O-N 3.42Å; M306-D309 PolarHBondContact O-N 2.98Å; D309-S312 WeakPolarHBondContact O-CB 3.49Å; D309-S312 PolarHBondContact O-N 2.89Å; D309-V324 HydrophobicContact CB-CG1 4.27Å |
| 310 | A | 96.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -59.4 | -48.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | V105 F108 I109 M306 S312 L313 | V105-A310 HydrophobicContact CG1-CB 3.84Å; F108-A310 HydrophobicContact CD1-CB 4.08Å; F108-A310 HydrophobicContact CE1-CB 4.4Å; I109-A310 HydrophobicContact CD1-CB 4.09Å; I109-A310 HydrophobicContact CG1-CB 3.9Å; M306-A310 VanDerWaalsContact O-CB 3.32Å; M306-A310 WeakPolarHBondContact O-CB 3.34Å; M306-A310 PolarHBondContact O-N 3.12Å; A310-S312 VanDerWaalsContact C-N 3.28Å; A310-S312 PolarHBondContact O-N 3.08Å; A310-L313 WeakPolarHBondContact O-CB 3.39Å; A310-L313 WeakPolarHBondContact O-CG 3.42Å; A310-L313 PolarHBondContact O-N 2.96Å |
| 311 | F | 96.8 | Very high | 93.5 | Very high | 57 Ų | 57 | 68.7 Ų | 68.7 | 25% | 0.25 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -69.9 | -24.1 | 177.4 | -67.5 | -16.3 | 0 | 0 | 0 | 113.4 | F108 G283 L286 Q287 L307 K308 L313 L314 | F108-F311 HydrophobicContact CD1-CD1 4.33Å; F108-F311 HydrophobicContact CD1-CE1 4.44Å; F108-F311 HydrophobicContact CD2-CE1 4.4Å; F108-F311 AromaticContact CE1-CD1 3.74Å; F108-F311 HydrophobicContact CE1-CD1 3.74Å; F108-F311 HydrophobicContact CE1-CE1 4.17Å; F108-F311 HydrophobicContact CE2-CD1 4.3Å; F108-F311 HydrophobicContact CE2-CE1 4.09Å; F108-F311 AromaticContact CZ-CD1 3.7Å; F108-F311 HydrophobicContact CZ-CD1 3.7Å; F108-F311 AromaticContact CZ-CE1 3.97Å; F108-F311 HydrophobicContact CZ-CE1 3.97Å; G283-F311 VanDerWaalsContact O-CZ 3.3Å; G283-F311 WeakPolarHBondContact O-CZ 3.4Å; L286-F311 HydrophobicContact CD2-CE1 4.14Å; L286-F311 HydrophobicContact CD2-CZ 4.33Å; Q287-F311 HydrophobicContact CB-CE2 4.33Å; Q287-F311 HydrophobicContact CB-CZ 4.45Å; L307-F311 HydrophobicContact CD1-CD2 4.23Å; L307-F311 HydrophobicContact CD1-CE1 3.97Å; L307-F311 HydrophobicContact CD1-CE2 3.58Å; L307-F311 HydrophobicContact CD1-CZ 3.43Å; L307-F311 VanDerWaalsContact CD1-CZ 3.43Å; L307-F311 HydrophobicContact CD2-CE2 4.12Å; L307-F311 HydrophobicContact CG-CD2 4.03Å; L307-F311 HydrophobicContact CG-CE2 3.66Å; L307-F311 HydrophobicContact CG-CZ 4.07Å; L307-F311 WeakPolarHBondContact O-CB 3.5Å; L307-F311 WeakPolarHBondContact O-CG 3.42Å; L307-F311 PolarHBondContact O-N 2.96Å; K308-F311 PolarHBondContact O-N 3.46Å; F311-L313 PolarHBondContact O-N 3.44Å; F311-L314 PolarHBondContact O-N 2.97Å; F311-L314 VanDerWaalsContact O-N 3.14Å |
| 312 | S | 96.2 | Very high | 93.6 | Very high | 35 Ų | 35 | 63.6 Ų | 63.6 | 25% | 0.245 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.3 | -22 | 176.3 | -61.8 | 0 | 0 | 0 | 0 | 112.5 | K308 D309 A310 L314 A315 Y316 | K308-S312 WeakPolarHBondContact O-CB 3.48Å; K308-S312 PolarHBondContact O-N 2.88Å; K308-S312 PolarHBondContact O-OG 3.26Å; D309-S312 WeakPolarHBondContact O-CB 3.49Å; D309-S312 PolarHBondContact O-N 2.89Å; A310-S312 VanDerWaalsContact C-N 3.28Å; A310-S312 PolarHBondContact O-N 3.08Å; S312-L314 PolarHBondContact O-N 3.3Å; S312-A315 WeakPolarHBondContact O-CB 3.29Å; S312-A315 PolarHBondContact O-N 3.12Å; S312-A315 VanDerWaalsContact O-N 3.14Å; S312-Y316 VanDerWaalsContact O-CD2 3.26Å; S312-Y316 WeakPolarHBondContact O-CD2 3.43Å; S312-Y316 WeakPolarHBondContact O-CE2 3.45Å |
| 313 | L | 95.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 35% | 0.348 | C | S | . | . | G | 310 helix | trans | -57.8 | -34 | 172 | -66.8 | 169.1 | 0 | 0 | 0 | 112.6 | I109 V112 A310 F311 A315 P319 V324 Q327 L328 | I109-L313 HydrophobicContact CG1-CD1 4.35Å; I109-L313 HydrophobicContact CG2-CD1 4.44Å; V112-L313 HydrophobicContact CG1-CB 4.43Å; V112-L313 HydrophobicContact CG1-CD1 4.43Å; A310-L313 WeakPolarHBondContact O-CB 3.39Å; A310-L313 WeakPolarHBondContact O-CG 3.42Å; A310-L313 PolarHBondContact O-N 2.96Å; F311-L313 PolarHBondContact O-N 3.44Å; L313-A315 VanDerWaalsContact C-N 3.27Å; L313-A315 PolarHBondContact O-N 3.48Å; L313-P319 HydrophobicContact CB-CB 4.38Å; L313-P319 HydrophobicContact CD2-CB 4.31Å; L313-V324 HydrophobicContact CD2-CG2 3.91Å; L313-V324 HydrophobicContact CG-CG2 4.21Å; L313-Q327 HydrophobicContact CD1-CB 4.47Å; L313-L328 HydrophobicContact CD1-CD2 4.15Å; L313-L328 HydrophobicContact CD1-CG 4.27Å; L313-L328 HydrophobicContact CD2-CD1 4Å; L313-L328 HydrophobicContact CD2-CG 4.22Å |
| 314 | L | 93.2 | Very high | 93.8 | Very high | 64 Ų | 64 | 66.5 Ų | 66.5 | 34% | 0.335 | 35% | 0.352 | S | S | . | . | G | 310 helix | trans | -76.6 | -10.1 | 179.9 | -59.7 | -171.6 | 0 | 0 | 0 | 113.9 | F108 V112 L268 M279 I280 F311 S312 Y316 | F108-L314 HydrophobicContact CZ-CD1 3.87Å; F108-L314 HydrophobicContact CZ-CD2 4.49Å; F108-L314 HydrophobicContact CZ-CG 4.15Å; V112-L314 HydrophobicContact CG2-CD2 4.17Å; L268-L314 HydrophobicContact CD1-CD2 3.85Å; M279-L314 HydrophobicContact CE-CD1 4.14Å; M279-L314 HydrophobicContact CE-CD2 3.67Å; M279-L314 HydrophobicContact SD-CD2 3.97Å; I280-L314 HydrophobicContact CD1-CD1 3.9Å; F311-L314 PolarHBondContact O-N 2.97Å; F311-L314 VanDerWaalsContact O-N 3.14Å; S312-L314 PolarHBondContact O-N 3.3Å; L314-Y316 VanDerWaalsContact C-N 3.26Å; L314-Y316 PolarHBondContact O-N 2.88Å |
| 315 | A | 93 | Very high | 93.9 | Very high | 81 Ų | 81 | 59.2 Ų | 59.2 | 67% | 0.669 | 32% | 0.323 | S | S | * | . | G | 310 helix | trans | -81.9 | -4.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | S312 L313 | S312-A315 WeakPolarHBondContact O-CB 3.29Å; S312-A315 PolarHBondContact O-N 3.12Å; S312-A315 VanDerWaalsContact O-N 3.14Å; L313-A315 VanDerWaalsContact C-N 3.27Å; L313-A315 PolarHBondContact O-N 3.48Å |
| 316 | Y | 92.4 | Very high | 93.9 | Very high | 110 Ų | 110 | 57 Ų | 57 | 43% | 0.431 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -120.9 | 140.9 | -176.8 | -61.4 | -93 | 0 | 0 | 0 | 110.3 | S312 L314 D318 S322 P323 | S312-Y316 VanDerWaalsContact O-CD2 3.26Å; S312-Y316 WeakPolarHBondContact O-CD2 3.43Å; S312-Y316 WeakPolarHBondContact O-CE2 3.45Å; L314-Y316 VanDerWaalsContact C-N 3.26Å; L314-Y316 PolarHBondContact O-N 2.88Å; Y316-D318 PolarHBondContact O-N 3.26Å; Y316-S322 VanDerWaalsContact CD2-CB 3.46Å; Y316-P323 HydrophobicContact CE1-CG 4.44Å; Y316-P323 WeakPolarHBondContact OH-CD 3.4Å |
| 317 | S | 87.8 | Confident | 93.9 | Very high | 140 Ų | 140 | 56.1 Ų | 56.1 | 98% | 0.979 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -61.8 | -27 | 175.4 | -46.3 | 0 | 0 | 0 | 0 | 112.8 | ||
| 318 | D | 90 | Very high | 93.9 | Very high | 62 Ų | 62 | 55.9 Ų | 55.9 | 33% | 0.332 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -124.5 | 106.6 | 171.8 | 179.8 | -10.9 | 0 | 0 | 0 | 109.2 | Y316 W320 N321 | Y316-D318 PolarHBondContact O-N 3.26Å; D318-W320 VanDerWaalsContact C-N 3.32Å; D318-W320 PolarHBondContact O-N 3.26Å; D318-W320 PolarHBondContact OD1-N 3.01Å; D318-N321 HydrophobicContact CB-CB 4.33Å; D318-N321 PolarHBondContact OD1-N 3.13Å; D318-N321 PolarHBondContact OD2-ND2 3.14Å |
| 319 | P | 92.6 | Very high | 93.9 | Very high | 4 Ų | 4 | 52.4 Ų | 52.4 | 3% | 0.026 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -62.1 | -32.8 | 178 | -26.5 | 35.7 | 0 | 0 | 0 | 114.6 | V112 L268 L313 S322 G325 L328 | V112-P319 HydrophobicContact CG1-CB 4.19Å; V112-P319 HydrophobicContact CG1-CG 4.23Å; L268-P319 HydrophobicContact CD1-CG 3.91Å; L313-P319 HydrophobicContact CB-CB 4.38Å; L313-P319 HydrophobicContact CD2-CB 4.31Å; P319-S322 WeakPolarHBondContact O-CB 3.43Å; P319-S322 PolarHBondContact O-N 3.42Å; P319-S322 PolarHBondContact O-OG 2.89Å; P319-G325 WeakPolarHBondContact O-CA 3.4Å; P319-L328 HydrophobicContact CB-CD1 3.75Å |
| 320 | W | 93.3 | Very high | 93.9 | Very high | 47 Ų | 47 | 55 Ų | 55 | 18% | 0.178 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -31.2 | -175.6 | -66.7 | -87.7 | 0 | 0 | 0 | 111.7 | N113 R266 D318 S322 L328 | N113-W320 WeakPolarHBondContact OD1-CZ2 3.31Å; N113-W320 PolarHBondContact OD1-NE1 3.34Å; N113-W320 VanDerWaalsContact OD1-NE1 3.11Å; R266-W320 HydrophobicContact CB-CD2 4.06Å; R266-W320 HydrophobicContact CB-CE3 3.87Å; R266-W320 HydrophobicContact CB-CH2 3.68Å; R266-W320 HydrophobicContact CB-CZ2 3.82Å; R266-W320 HydrophobicContact CB-CZ3 3.69Å; R266-W320 VanDerWaalsContact O-CZ3 3.26Å; R266-W320 WeakPolarHBondContact O-CZ3 3.48Å; D318-W320 VanDerWaalsContact C-N 3.32Å; D318-W320 PolarHBondContact O-N 3.26Å; D318-W320 PolarHBondContact OD1-N 3.01Å; W320-S322 VanDerWaalsContact C-N 3.32Å; W320-L328 HydrophobicContact CD2-CD1 4.07Å; W320-L328 HydrophobicContact CG-CD1 3.87Å |
| 321 | N | 92.2 | Very high | 93.9 | Very high | 137 Ų | 137 | 59.7 Ų | 59.7 | 73% | 0.733 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | 6.6 | 172.9 | -80.9 | -48.4 | 0 | 0 | 0 | 114.1 | D318 | D318-N321 HydrophobicContact CB-CB 4.33Å; D318-N321 PolarHBondContact OD1-N 3.13Å; D318-N321 PolarHBondContact OD2-ND2 3.14Å |
| 322 | S | 93.9 | Very high | 93.8 | Very high | 11 Ų | 11 | 60 Ų | 60 | 8% | 0.077 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -74.8 | 160.3 | 177.1 | 76.3 | 0 | 0 | 0 | 0 | 112.7 | Y316 P319 W320 V324 G325 | Y316-S322 VanDerWaalsContact CD2-CB 3.46Å; P319-S322 WeakPolarHBondContact O-CB 3.43Å; P319-S322 PolarHBondContact O-N 3.42Å; P319-S322 PolarHBondContact O-OG 2.89Å; W320-S322 VanDerWaalsContact C-N 3.32Å; S322-V324 PolarHBondContact O-N 3.35Å; S322-V324 PolarHBondContact OG-N 3.21Å; S322-G325 PolarHBondContact O-N 2.95Å; S322-G325 PolarHBondContact OG-N 3.49Å; S322-G325 VanDerWaalsContact OG-N 3.08Å |
| 323 | P | 94.6 | Very high | 93.9 | Very high | 104 Ų | 104 | 59.4 Ų | 59.4 | 68% | 0.675 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -11.5 | 174.5 | -24.5 | 35.3 | 0 | 0 | 0 | 115.2 | Y316 | Y316-P323 HydrophobicContact CE1-CG 4.44Å; Y316-P323 WeakPolarHBondContact OH-CD 3.4Å |
| 324 | V | 94.7 | Very high | 93.9 | Very high | 25 Ų | 25 | 64.8 Ų | 64.8 | 15% | 0.152 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119 | 17.1 | 175.4 | -67.2 | 0 | 0 | 0 | 0 | 111.6 | D309 L313 S322 N326 Q327 | D309-V324 HydrophobicContact CB-CG1 4.27Å; L313-V324 HydrophobicContact CD2-CG2 3.91Å; L313-V324 HydrophobicContact CG-CG2 4.21Å; S322-V324 PolarHBondContact O-N 3.35Å; S322-V324 PolarHBondContact OG-N 3.21Å; V324-N326 PolarHBondContact O-N 3.33Å; V324-N326 VanDerWaalsContact O-N 3.12Å; V324-Q327 HydrophobicContact CB-CG 4.29Å; V324-Q327 VanDerWaalsContact O-CB 3.3Å; V324-Q327 WeakPolarHBondContact O-CB 3.34Å; V324-Q327 VanDerWaalsContact O-CG 3.26Å; V324-Q327 WeakPolarHBondContact O-CG 3.48Å; V324-Q327 PolarHBondContact O-N 2.87Å |
| 325 | G | 93.5 | Very high | 94 | Very high | 6 Ų | 6 | 65.5 Ų | 65.5 | 6% | 0.062 | 37% | 0.37 | C | S | . | . | G | 310 helix | trans | -57.9 | -28.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | P319 S322 Q327 L328 | P319-G325 WeakPolarHBondContact O-CA 3.4Å; S322-G325 PolarHBondContact O-N 2.95Å; S322-G325 PolarHBondContact OG-N 3.49Å; S322-G325 VanDerWaalsContact OG-N 3.08Å; G325-Q327 PolarHBondContact O-N 3.14Å; G325-L328 WeakPolarHBondContact O-CB 3.47Å; G325-L328 PolarHBondContact O-N 2.99Å |
| 326 | N | 95.6 | Very high | 94.1 | Very high | 83 Ų | 83 | 62.3 Ų | 62.3 | 44% | 0.444 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -57.2 | -19.4 | 173.2 | 71.3 | 3 | 0 | 0 | 0 | 114.4 | V324 L328 D329 Q332 | V324-N326 PolarHBondContact O-N 3.33Å; V324-N326 VanDerWaalsContact O-N 3.12Å; N326-L328 PolarHBondContact O-N 3.43Å; N326-D329 WeakPolarHBondContact CA-OD2 3.25Å; N326-D329 WeakPolarHBondContact O-CB 3.32Å; N326-D329 PolarHBondContact O-N 3.49Å; N326-Q332 WeakPolarHBondContact O-CG 3.38Å |
| 327 | Q | 95.3 | Very high | 94.4 | Very high | 37 Ų | 37 | 57.5 Ų | 57.5 | 17% | 0.173 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -62.1 | -30.4 | 172.9 | -65.6 | -54.6 | -70.2 | 0 | 0 | 111.7 | R106 I109 L313 V324 G325 D329 | R106-Q327 PolarHBondContact NH1-O 3.13Å; R106-Q327 PolarHBondContact NH2-O 3.17Å; I109-Q327 HydrophobicContact CD1-CB 4.32Å; I109-Q327 HydrophobicContact CG2-CB 4.39Å; I109-Q327 WeakPolarHBondContact CG2-O 3.23Å; L313-Q327 HydrophobicContact CD1-CB 4.47Å; V324-Q327 HydrophobicContact CB-CG 4.29Å; V324-Q327 VanDerWaalsContact O-CB 3.3Å; V324-Q327 WeakPolarHBondContact O-CB 3.34Å; V324-Q327 VanDerWaalsContact O-CG 3.26Å; V324-Q327 WeakPolarHBondContact O-CG 3.48Å; V324-Q327 PolarHBondContact O-N 2.87Å; G325-Q327 PolarHBondContact O-N 3.14Å; Q327-D329 VanDerWaalsContact C-N 3.26Å; Q327-D329 PolarHBondContact O-N 3.31Å |
| 328 | L | 94.9 | Very high | 94.7 | Very high | 4 Ų | 4 | 53.8 Ų | 53.8 | 2% | 0.021 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -77.6 | -10.4 | 179.9 | -61.7 | 162.5 | 0 | 0 | 0 | 112.9 | I109 V112 N113 L313 P319 W320 G325 N326 | I109-L328 HydrophobicContact CG2-CD2 3.92Å; V112-L328 HydrophobicContact CB-CD2 4.31Å; V112-L328 HydrophobicContact CG1-CD2 4.03Å; N113-L328 HydrophobicContact CB-CD2 3.71Å; N113-L328 PolarHBondContact ND2-O 2.49Å; L313-L328 HydrophobicContact CD1-CD2 4.15Å; L313-L328 HydrophobicContact CD1-CG 4.27Å; L313-L328 HydrophobicContact CD2-CD1 4Å; L313-L328 HydrophobicContact CD2-CG 4.22Å; P319-L328 HydrophobicContact CB-CD1 3.75Å; W320-L328 HydrophobicContact CD2-CD1 4.07Å; W320-L328 HydrophobicContact CG-CD1 3.87Å; G325-L328 WeakPolarHBondContact O-CB 3.47Å; G325-L328 PolarHBondContact O-N 2.99Å; N326-L328 PolarHBondContact O-N 3.43Å |
| 329 | D | 95.2 | Very high | 95 | Very high | 70 Ų | 70 | 52.8 Ų | 52.8 | 37% | 0.374 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -65 | 139.6 | -179.9 | -65.5 | -30.2 | 0 | 0 | 0 | 111.1 | R106 N326 Q327 I331 Q332 | R106-D329 PolarHBondContact NH2-O 2.9Å; R106-D329 VanDerWaalsContact NH2-O 3.12Å; N326-D329 WeakPolarHBondContact CA-OD2 3.25Å; N326-D329 WeakPolarHBondContact O-CB 3.32Å; N326-D329 PolarHBondContact O-N 3.49Å; Q327-D329 VanDerWaalsContact C-N 3.26Å; Q327-D329 PolarHBondContact O-N 3.31Å; D329-I331 HydrophobicContact CB-CG2 3.95Å; D329-I331 PolarHBondContact O-N 3.3Å; D329-Q332 HydrophobicContact CB-CG 4.38Å; D329-Q332 WeakPolarHBondContact O-CB 3.45Å; D329-Q332 PolarHBondContact O-N 3.04Å |
| 330 | P | 94.6 | Very high | 95.2 | Very high | 79 Ų | 79 | 52.7 Ų | 52.7 | 51% | 0.513 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | -58.9 | -30.9 | 177.3 | -27 | 35.8 | 0 | 0 | 0 | 114 | Q332 R333 | P330-Q332 PolarHBondContact O-N 3.05Å; P330-R333 WeakPolarHBondContact O-CB 3.26Å; P330-R333 WeakPolarHBondContact O-CD 3.48Å; P330-R333 WeakPolarHBondContact O-CG 3.42Å; P330-R333 PolarHBondContact O-N 2.84Å |
| 331 | I | 95.9 | Very high | 95.3 | Very high | 98 Ų | 98 | 50.7 Ų | 50.7 | 50% | 0.503 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -60.4 | -29.4 | 179 | -163.7 | 170.1 | 0 | 0 | 0 | 112.5 | D329 R333 E334 | D329-I331 HydrophobicContact CB-CG2 3.95Å; D329-I331 PolarHBondContact O-N 3.3Å; I331-R333 PolarHBondContact O-N 3.28Å; I331-R333 VanDerWaalsContact O-N 3.08Å; I331-E334 WeakPolarHBondContact O-CB 3.33Å; I331-E334 PolarHBondContact O-N 3.33Å |
| 332 | Q | 96.2 | Very high | 95.4 | Very high | 64 Ų | 64 | 45 Ų | 45 | 30% | 0.299 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -70.4 | -2.5 | 176.8 | -59.8 | -59.1 | -32.3 | 0 | 0 | 113.4 | N326 D329 P330 | N326-Q332 WeakPolarHBondContact O-CG 3.38Å; D329-Q332 HydrophobicContact CB-CG 4.38Å; D329-Q332 WeakPolarHBondContact O-CB 3.45Å; D329-Q332 PolarHBondContact O-N 3.04Å; P330-Q332 PolarHBondContact O-N 3.05Å |
| 333 | R | 97.1 | Very high | 95.5 | Very high | 21 Ų | 21 | 44.8 Ų | 44.8 | 8% | 0.079 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -77.2 | -29.5 | 168.3 | -60.6 | 168.3 | 179.8 | 164.4 | 3.3 | 112.1 | V73 L74 E110 P330 I331 V336 C337 | V73-R333 WeakPolarHBondContact O-CD 3.47Å; L74-R333 HydrophobicContact CD2-CB 4.29Å; L74-R333 WeakPolarHBondContact O-CD 3.45Å; L74-R333 PolarHBondContact O-NH1 2.89Å; E110-R333 WeakPolarHBondContact OE1-CG 3.46Å; E110-R333 IonicContact OE1-CZ 3.48Å; E110-R333 IonicContact OE1-NE 2.7Å; E110-R333 PolarHBondContact OE1-NE 3.2Å; E110-R333 IonicContact OE1-NH2 3.95Å; E110-R333 IonicContact OE2-CZ 3.43Å; E110-R333 IonicContact OE2-NE 3.23Å; E110-R333 PolarHBondContact OE2-NE 2.91Å; E110-R333 IonicContact OE2-NH2 3.58Å; E110-R333 PolarHBondContact OE2-NH2 3.44Å; P330-R333 WeakPolarHBondContact O-CB 3.26Å; P330-R333 WeakPolarHBondContact O-CD 3.48Å; P330-R333 WeakPolarHBondContact O-CG 3.42Å; P330-R333 PolarHBondContact O-N 2.84Å; I331-R333 PolarHBondContact O-N 3.28Å; I331-R333 VanDerWaalsContact O-N 3.08Å; R333-V336 PolarHBondContact O-N 3.48Å; R333-C337 VanDerWaalsContact O-CB 3.32Å; R333-C337 WeakPolarHBondContact O-CB 3.48Å; R333-C337 PolarHBondContact O-N 2.69Å |
| 334 | E | 95.7 | Very high | 95.5 | Very high | 114 Ų | 114 | 40 Ų | 40 | 53% | 0.533 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -62.3 | -44.2 | -173.7 | -62.2 | 177.2 | -171.4 | 0 | 0 | 113.9 | L74 I331 V336 C337 S338 | L74-E334 HydrophobicContact CD2-CG 4.13Å; I331-E334 WeakPolarHBondContact O-CB 3.33Å; I331-E334 PolarHBondContact O-N 3.33Å; E334-V336 VanDerWaalsContact C-N 3.28Å; E334-V336 PolarHBondContact O-N 2.71Å; E334-C337 WeakPolarHBondContact O-CB 3.34Å; E334-C337 PolarHBondContact O-N 3.39Å; E334-S338 WeakPolarHBondContact O-CB 3.32Å; E334-S338 PolarHBondContact O-N 3.37Å |
| 335 | P | 95.5 | Very high | 95.4 | Very high | 79 Ų | 79 | 39 Ų | 39 | 51% | 0.513 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -62.1 | -37.8 | 178 | -22.9 | 34.9 | 0 | 0 | 0 | 112.3 | A339 | P335-A339 WeakPolarHBondContact O-CB 3.32Å; P335-A339 PolarHBondContact O-N 3.32Å |
| 336 | V | 96.3 | Very high | 95.3 | Very high | 14 Ų | 14 | 43.1 Ų | 43.1 | 9% | 0.085 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -70.9 | -42.4 | 178.7 | -177 | 0 | 0 | 0 | 0 | 110.7 | M78 T102 L103 R106 R333 E334 A339 L340 | M78-V336 HydrophobicContact CE-CG1 4.13Å; T102-V336 HydrophobicContact CG2-CG1 4.49Å; T102-V336 HydrophobicContact CG2-CG2 4.22Å; L103-V336 HydrophobicContact CD2-CG1 3.5Å; L103-V336 VanDerWaalsContact CD2-CG1 3.5Å; L103-V336 HydrophobicContact CG-CG1 4.36Å; R106-V336 HydrophobicContact CB-CG1 4.44Å; R106-V336 HydrophobicContact CB-CG2 4.31Å; R106-V336 HydrophobicContact CG-CG2 4.37Å; R333-V336 PolarHBondContact O-N 3.48Å; E334-V336 VanDerWaalsContact C-N 3.28Å; E334-V336 PolarHBondContact O-N 2.71Å; V336-A339 PolarHBondContact O-N 3.23Å; V336-L340 WeakPolarHBondContact O-CB 3.41Å; V336-L340 PolarHBondContact O-N 2.78Å |
| 337 | C | 96.9 | Very high | 95 | Very high | 9 Ų | 9 | 42.4 Ų | 42.4 | 6% | 0.061 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.9 | -45.8 | 174.3 | -169.9 | 0 | 0 | 0 | 0 | 111.8 | V73 L74 R333 E334 L340 N341 | V73-C337 HydrophobicContact CB-CB 4.29Å; V73-C337 HydrophobicContact CG1-CB 3.67Å; L74-C337 HydrophobicContact CD2-CB 4.12Å; L74-C337 HydrophobicContact CG-CB 4.48Å; R333-C337 VanDerWaalsContact O-CB 3.32Å; R333-C337 WeakPolarHBondContact O-CB 3.48Å; R333-C337 PolarHBondContact O-N 2.69Å; E334-C337 WeakPolarHBondContact O-CB 3.34Å; E334-C337 PolarHBondContact O-N 3.39Å; C337-L340 PolarHBondContact O-N 3.03Å; C337-N341 WeakPolarHBondContact O-CB 3.5Å; C337-N341 PolarHBondContact O-N 2.97Å |
| 338 | S | 94.5 | Very high | 94.7 | Very high | 61 Ų | 61 | 44.8 Ų | 44.8 | 43% | 0.427 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -65.2 | -44.2 | 177.6 | -175.9 | 0 | 0 | 0 | 0 | 112.2 | E334 L340 N341 S342 | E334-S338 WeakPolarHBondContact O-CB 3.32Å; E334-S338 PolarHBondContact O-N 3.37Å; S338-L340 PolarHBondContact O-N 3.4Å; S338-N341 PolarHBondContact O-N 3.27Å; S338-S342 WeakPolarHBondContact O-CB 3.44Å; S338-S342 PolarHBondContact O-N 3.4Å; S338-S342 PolarHBondContact O-OG 3.49Å |
| 339 | A | 95.7 | Very high | 94.4 | Very high | 42 Ų | 42 | 52.2 Ų | 52.2 | 35% | 0.347 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.2 | -41 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L99 P335 V336 S342 A343 | L99-A339 HydrophobicContact CD1-CB 4.11Å; P335-A339 WeakPolarHBondContact O-CB 3.32Å; P335-A339 PolarHBondContact O-N 3.32Å; V336-A339 PolarHBondContact O-N 3.23Å; A339-S342 PolarHBondContact O-N 3.48Å; A339-A343 PolarHBondContact O-N 3.14Å; A339-A343 VanDerWaalsContact O-N 3.1Å |
| 340 | L | 96.8 | Very high | 94 | Very high | 2 Ų | 2 | 50.7 Ų | 50.7 | 1% | 0.01 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67.3 | -46.5 | 176.1 | 179.3 | 54.1 | 0 | 0 | 0 | 112.1 | I69 V73 T85 L92 L99 L103 V336 C337 S338 S342 A343 I344 | I69-L340 HydrophobicContact CG2-CD2 3.48Å; I69-L340 VanDerWaalsContact CG2-CD2 3.48Å; I69-L340 HydrophobicContact CG2-CG 4.19Å; V73-L340 HydrophobicContact CG2-CD2 4.1Å; T85-L340 HydrophobicContact CG2-CD1 3.93Å; L92-L340 HydrophobicContact CD2-CD1 4.37Å; L99-L340 HydrophobicContact CD2-CD1 4.18Å; L103-L340 HydrophobicContact CD1-CD1 4.31Å; L103-L340 HydrophobicContact CD1-CD2 4.41Å; L103-L340 HydrophobicContact CD2-CD2 3.97Å; V336-L340 WeakPolarHBondContact O-CB 3.41Å; V336-L340 PolarHBondContact O-N 2.78Å; C337-L340 PolarHBondContact O-N 3.03Å; S338-L340 PolarHBondContact O-N 3.4Å; L340-S342 VanDerWaalsContact C-N 3.29Å; L340-S342 PolarHBondContact O-N 3Å; L340-A343 PolarHBondContact O-N 2.95Å; L340-A343 VanDerWaalsContact O-N 3.16Å; L340-I344 HydrophobicContact CD1-CD1 4.12Å; L340-I344 HydrophobicContact CD1-CG1 4.31Å; L340-I344 HydrophobicContact CG-CD1 4.09Å; L340-I344 WeakPolarHBondContact O-CG1 3.37Å; L340-I344 PolarHBondContact O-N 2.95Å |
| 341 | N | 95.9 | Very high | 93.6 | Very high | 4 Ų | 4 | 50.2 Ų | 50.2 | 2% | 0.021 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58.2 | -42.9 | 174.9 | -171.3 | 54.5 | 0 | 0 | 0 | 111.5 | H38 R66 Q70 C337 S338 A343 I344 L345 | H38-N341 PolarHBondContact CE1-ND2 2.86Å; H38-N341 PolarHBondContact O-ND2 2.71Å; R66-N341 WeakPolarHBondContact CD-OD1 3.28Å; R66-N341 PolarHBondContact NH1-OD1 3.07Å; Q70-N341 VanDerWaalsContact NE2-CG 3.28Å; Q70-N341 PolarHBondContact NE2-OD1 2.92Å; C337-N341 WeakPolarHBondContact O-CB 3.5Å; C337-N341 PolarHBondContact O-N 2.97Å; S338-N341 PolarHBondContact O-N 3.27Å; N341-A343 VanDerWaalsContact C-N 3.31Å; N341-A343 PolarHBondContact O-N 3.32Å; N341-I344 PolarHBondContact O-N 3.14Å; N341-L345 WeakPolarHBondContact O-CG 3.4Å; N341-L345 PolarHBondContact O-N 3.25Å |
| 342 | S | 94.9 | Very high | 93.3 | Very high | 17 Ų | 17 | 50.1 Ų | 50.1 | 12% | 0.119 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.7 | -39.3 | 176.6 | -59.2 | 0 | 0 | 0 | 0 | 112.7 | S338 A339 L340 E346 K352 | S338-S342 WeakPolarHBondContact O-CB 3.44Å; S338-S342 PolarHBondContact O-N 3.4Å; S338-S342 PolarHBondContact O-OG 3.49Å; A339-S342 PolarHBondContact O-N 3.48Å; L340-S342 VanDerWaalsContact C-N 3.29Å; L340-S342 PolarHBondContact O-N 3Å; S342-E346 WeakPolarHBondContact O-CB 3.48Å; S342-E346 PolarHBondContact O-N 2.94Å; S342-K352 PolarHBondContact OG-O 2.98Å |
| 343 | A | 95.5 | Very high | 92.9 | Very high | 8 Ų | 8 | 52 Ų | 52 | 7% | 0.066 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -71.9 | -38.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L92 L99 A339 L340 N341 E346 T347 | L92-A343 HydrophobicContact CD2-CB 4.16Å; L99-A343 HydrophobicContact CD2-CB 3.48Å; L99-A343 VanDerWaalsContact CD2-CB 3.48Å; A339-A343 PolarHBondContact O-N 3.14Å; A339-A343 VanDerWaalsContact O-N 3.1Å; L340-A343 PolarHBondContact O-N 2.95Å; L340-A343 VanDerWaalsContact O-N 3.16Å; N341-A343 VanDerWaalsContact C-N 3.31Å; N341-A343 PolarHBondContact O-N 3.32Å; A343-E346 PolarHBondContact O-N 3.2Å; A343-T347 PolarHBondContact O-N 2.64Å |
| 344 | I | 95 | Very high | 92.7 | Very high | 2 Ų | 2 | 51.1 Ų | 51.1 | 1% | 0.01 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.3 | -42.2 | 175 | -63.2 | 162.5 | 0 | 0 | 0 | 110.5 | R66 I69 Y89 L92 L340 N341 T347 H348 | R66-I344 HydrophobicContact CG-CB 4.45Å; R66-I344 HydrophobicContact CG-CG2 3.74Å; I69-I344 HydrophobicContact CD1-CD1 3.9Å; I69-I344 HydrophobicContact CG2-CD1 4.47Å; Y89-I344 HydrophobicContact CD1-CG2 4.07Å; Y89-I344 HydrophobicContact CD2-CD1 4.1Å; Y89-I344 HydrophobicContact CD2-CG1 3.97Å; Y89-I344 HydrophobicContact CD2-CG2 3.98Å; Y89-I344 HydrophobicContact CE1-CG2 3.66Å; Y89-I344 HydrophobicContact CE2-CD1 3.97Å; Y89-I344 HydrophobicContact CE2-CG1 4.12Å; Y89-I344 HydrophobicContact CE2-CG2 3.55Å; Y89-I344 HydrophobicContact CG-CG1 4.48Å; Y89-I344 HydrophobicContact CG-CG2 4.21Å; L92-I344 HydrophobicContact CD1-CB 4.17Å; L92-I344 HydrophobicContact CD1-CG1 3.55Å; L340-I344 HydrophobicContact CD1-CD1 4.12Å; L340-I344 HydrophobicContact CD1-CG1 4.31Å; L340-I344 HydrophobicContact CG-CD1 4.09Å; L340-I344 WeakPolarHBondContact O-CG1 3.37Å; L340-I344 PolarHBondContact O-N 2.95Å; N341-I344 PolarHBondContact O-N 3.14Å; I344-T347 PolarHBondContact O-N 3.35Å; I344-T347 PolarHBondContact O-OG1 2.9Å; I344-H348 PolarHBondContact O-ND1 3.5Å |
| 345 | L | 92.9 | Very high | 92.5 | Very high | 5 Ų | 5 | 48.2 Ų | 48.2 | 3% | 0.026 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.6 | -43.7 | 174.8 | -69.3 | 168.9 | 0 | 0 | 0 | 111.5 | H38 N341 T347 H348 N349 L350 | H38-L345 WeakPolarHBondContact CD2-CD1 3.46Å; H38-L345 WeakPolarHBondContact NE2-CD1 3.3Å; N341-L345 WeakPolarHBondContact O-CG 3.4Å; N341-L345 PolarHBondContact O-N 3.25Å; L345-T347 VanDerWaalsContact C-N 3.31Å; L345-T347 PolarHBondContact O-N 3.39Å; L345-H348 CarbonylContact O-C 3.49Å; L345-H348 PolarHBondContact O-N 3.46Å; L345-N349 PolarHBondContact O-N 3.48Å; L345-L350 CarbonylContact C-O 3.55Å; L345-L350 HydrophobicContact CB-CB 3.98Å; L345-L350 HydrophobicContact CD2-CB 3.88Å; L345-L350 HydrophobicContact CD2-CD1 3.74Å; L345-L350 HydrophobicContact CD2-CG 4.48Å; L345-L350 WeakPolarHBondContact O-CB 3.37Å; L345-L350 PolarHBondContact O-N 2.88Å |
| 346 | E | 91.4 | Very high | 92.3 | Very high | 92 Ų | 92 | 47.8 Ų | 47.8 | 43% | 0.43 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -57.9 | -39.3 | 175.3 | 177.6 | 168.6 | -133.6 | 0 | 0 | 112.9 | S342 A343 H348 N349 K352 | S342-E346 WeakPolarHBondContact O-CB 3.48Å; S342-E346 PolarHBondContact O-N 2.94Å; A343-E346 PolarHBondContact O-N 3.2Å; E346-H348 PolarHBondContact O-N 2.89Å; E346-H348 VanDerWaalsContact O-N 3.11Å; E346-N349 PolarHBondContact O-N 2.88Å; E346-K352 HydrophobicContact CB-CG 4.38Å; E346-K352 WeakPolarHBondContact OE1-CE 3.19Å; E346-K352 IonicContact OE1-NZ 2.77Å; E346-K352 PolarHBondContact OE1-NZ 3.12Å; E346-K352 WeakPolarHBondContact OE2-CE 3.34Å; E346-K352 IonicContact OE2-NZ 3.52Å; E346-K352 PolarHBondContact OE2-NZ 2.98Å |
| 347 | T | 89.4 | Confident | 91.9 | Very high | 68 Ų | 68 | 48.8 Ų | 48.8 | 42% | 0.417 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.5 | -18.5 | 176.8 | 50.9 | 0 | 0 | 0 | 0 | 114.4 | L92 A343 I344 L345 | L92-T347 HydrophobicContact CB-CG2 4.36Å; L92-T347 HydrophobicContact CD1-CG2 3.94Å; L92-T347 HydrophobicContact CG-CG2 3.98Å; A343-T347 PolarHBondContact O-N 2.64Å; I344-T347 PolarHBondContact O-N 3.35Å; I344-T347 PolarHBondContact O-OG1 2.9Å; L345-T347 VanDerWaalsContact C-N 3.31Å; L345-T347 PolarHBondContact O-N 3.39Å |
| 348 | H | 87.8 | Confident | 91.7 | Very high | 88 Ų | 88 | 51.9 Ų | 51.9 | 41% | 0.407 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | 11.7 | 175.2 | -58.4 | 86.8 | 0 | 0 | 0 | 112.8 | Y89 I344 L345 E346 L350 | Y89-H348 AromaticContact CD1-CE1 3.64Å; Y89-H348 AromaticContact CE1-CE1 3.42Å; Y89-H348 VanDerWaalsContact CE1-CE1 3.42Å; Y89-H348 WeakPolarHBondContact CE1-CE1 3.35Å; I344-H348 PolarHBondContact O-ND1 3.5Å; L345-H348 CarbonylContact O-C 3.49Å; L345-H348 PolarHBondContact O-N 3.46Å; E346-H348 PolarHBondContact O-N 2.89Å; E346-H348 VanDerWaalsContact O-N 3.11Å; H348-L350 HydrophobicContact CB-CD1 4.12Å; H348-L350 HydrophobicContact CB-CG 4.13Å; H348-L350 PolarHBondContact O-N 3.28Å |
| 349 | N | 88.3 | Confident | 91.5 | Very high | 160 Ų | 160 | 50.8 Ų | 50.8 | 86% | 0.856 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.3 | 24.7 | -172.2 | -52.4 | -77.9 | 0 | 0 | 0 | 114.1 | L345 E346 | L345-N349 PolarHBondContact O-N 3.48Å; E346-N349 PolarHBondContact O-N 2.88Å |
| 350 | L | 88.1 | Confident | 91.3 | Very high | 38 Ų | 38 | 52.9 Ų | 52.9 | 20% | 0.199 | 29% | 0.288 | C | S | . | . | trans | -87.9 | 152.9 | 175.1 | -65.3 | 174.7 | 0 | 0 | 0 | 110.8 | E58 L345 H348 K352 | E58-L350 HydrophobicContact CB-CD1 4.17Å; E58-L350 HydrophobicContact CG-CD1 3.84Å; L345-L350 CarbonylContact C-O 3.55Å; L345-L350 HydrophobicContact CB-CB 3.98Å; L345-L350 HydrophobicContact CD2-CB 3.88Å; L345-L350 HydrophobicContact CD2-CD1 3.74Å; L345-L350 HydrophobicContact CD2-CG 4.48Å; L345-L350 WeakPolarHBondContact O-CB 3.37Å; L345-L350 PolarHBondContact O-N 2.88Å; H348-L350 HydrophobicContact CB-CD1 4.12Å; H348-L350 HydrophobicContact CB-CG 4.13Å; H348-L350 PolarHBondContact O-N 3.28Å; L350-K352 PolarHBondContact O-N 2.83Å | ||
| 351 | P | 86.6 | Confident | 91 | Very high | 69 Ų | 69 | 54.7 Ų | 54.7 | 45% | 0.448 | 31% | 0.307 | S | S | . | . | trans | -65.7 | 128.7 | -175.9 | 25.9 | -34.8 | 0 | 0 | 0 | 112.2 | Q353 | P351-Q353 PolarHBondContact O-N 3.09Š| ||
| 352 | K | 88.8 | Confident | 90.8 | Very high | 96 Ų | 96 | 60.6 Ų | 60.6 | 42% | 0.417 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -58.2 | -31.5 | 179 | -64.5 | -173.9 | -174.9 | -168.9 | 0 | 113.8 | H38 S342 E346 L350 | H38-K352 PolarHBondContact NE2-O 2.8Å; S342-K352 PolarHBondContact OG-O 2.98Å; E346-K352 HydrophobicContact CB-CG 4.38Å; E346-K352 WeakPolarHBondContact OE1-CE 3.19Å; E346-K352 IonicContact OE1-NZ 2.77Å; E346-K352 PolarHBondContact OE1-NZ 3.12Å; E346-K352 WeakPolarHBondContact OE2-CE 3.34Å; E346-K352 IonicContact OE2-NZ 3.52Å; E346-K352 PolarHBondContact OE2-NZ 2.98Å; L350-K352 PolarHBondContact O-N 2.83Å |
| 353 | Q | 88.9 | Confident | 90.7 | Very high | 102 Ų | 102 | 61.9 Ų | 61.9 | 48% | 0.477 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -132.3 | 142.9 | 179.8 | -68.5 | -177.7 | -12.7 | 0 | 0 | 109 | P351 L358 | P351-Q353 PolarHBondContact O-N 3.09Å; Q353-L358 HydrophobicContact CB-CD1 4.47Å; Q353-L358 HydrophobicContact CB-CD2 4.31Å; Q353-L358 HydrophobicContact CB-CG 4.09Å; Q353-L358 VanDerWaalsContact OE1-CD2 3.23Å |
| 354 | P | 91.3 | Very high | 90.5 | Very high | 3 Ų | 3 | 65.2 Ų | 65.2 | 2% | 0.019 | 37% | 0.366 | C | S | . | . | trans | -68.6 | 145.2 | 176.6 | 28.9 | -32.2 | 0 | 0 | 0 | 109.7 | Y35 H38 L356 A357 L358 | Y35-P354 HydrophobicContact CD2-CB 4.07Å; Y35-P354 HydrophobicContact CD2-CG 3.61Å; Y35-P354 HydrophobicContact CE2-CG 4.26Å; Y35-P354 HydrophobicContact CG-CG 4.5Å; H38-P354 HydrophobicContact CB-CB 4.19Å; H38-P354 HydrophobicContact CB-CG 4.49Å; P354-L356 PolarHBondContact O-N 3.09Å; P354-A357 HydrophobicContact CG-CB 3.88Å; P354-A357 PolarHBondContact O-N 3.26Å; P354-L358 PolarHBondContact O-N 3.46Å | ||
| 355 | P | 91.1 | Very high | 90.4 | Very high | 53 Ų | 53 | 71.4 Ų | 71.4 | 34% | 0.344 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -55.1 | -29.5 | -179 | -28.3 | 36.1 | 0 | 0 | 0 | 114.1 | M31 S34 L358 A359 | M31-P355 HydrophobicContact CG-CB 4.18Å; S34-P355 VanDerWaalsContact OG-CD 3.31Å; S34-P355 WeakPolarHBondContact OG-CD 3.44Å; P355-L358 PolarHBondContact O-N 2.64Å; P355-A359 WeakPolarHBondContact O-CB 3.46Å; P355-A359 PolarHBondContact O-N 2.64Å |
| 356 | L | 91.3 | Very high | 90.4 | Very high | 71 Ų | 71 | 74.3 Ų | 74.3 | 37% | 0.372 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62 | -44.8 | 175.1 | -173.9 | 60.8 | 0 | 0 | 0 | 112.8 | M31 Y35 P354 A359 M360 | M31-L356 HydrophobicContact CB-CB 4.4Å; M31-L356 HydrophobicContact CE-CB 4.29Å; M31-L356 HydrophobicContact CE-CD1 4Å; Y35-L356 HydrophobicContact CD2-CB 4.46Å; Y35-L356 HydrophobicContact CD2-CD2 4.18Å; Y35-L356 HydrophobicContact CG-CD2 4.23Å; P354-L356 PolarHBondContact O-N 3.09Å; L356-A359 PolarHBondContact O-N 3.2Å; L356-M360 WeakPolarHBondContact O-CB 3.49Å; L356-M360 PolarHBondContact O-N 2.91Å |
| 357 | A | 89.5 | Confident | 90.4 | Very high | 34 Ų | 34 | 71.9 Ų | 71.9 | 28% | 0.281 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -68.4 | -36.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | P354 G361 | P354-A357 HydrophobicContact CG-CB 3.88Å; P354-A357 PolarHBondContact O-N 3.26Å; A357-G361 PolarHBondContact O-N 3.13Å |
| 358 | L | 91.6 | Very high | 90.5 | Very high | 74 Ų | 74 | 70.4 Ų | 70.4 | 39% | 0.387 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -63.6 | -46.4 | 174.4 | -72.3 | 170 | 0 | 0 | 0 | 111.7 | Q353 P354 P355 M360 G361 Q362 | Q353-L358 HydrophobicContact CB-CD1 4.47Å; Q353-L358 HydrophobicContact CB-CD2 4.31Å; Q353-L358 HydrophobicContact CB-CG 4.09Å; Q353-L358 VanDerWaalsContact OE1-CD2 3.23Å; P354-L358 PolarHBondContact O-N 3.46Å; P355-L358 PolarHBondContact O-N 2.64Å; L358-M360 PolarHBondContact O-N 3.42Å; L358-G361 PolarHBondContact O-N 3.12Å; L358-Q362 WeakPolarHBondContact O-CB 3.5Å; L358-Q362 VanDerWaalsContact O-CG 3.26Å; L358-Q362 WeakPolarHBondContact O-CG 3.37Å; L358-Q362 PolarHBondContact O-N 3.25Å |
| 359 | A | 91.2 | Very high | 90.8 | Very high | 39 Ų | 39 | 70.5 Ų | 70.5 | 32% | 0.322 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.8 | -43.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | M31 P355 L356 Q362 A363 | M31-A359 HydrophobicContact CE-CB 3.85Å; P355-A359 WeakPolarHBondContact O-CB 3.46Å; P355-A359 PolarHBondContact O-N 2.64Å; L356-A359 PolarHBondContact O-N 3.2Å; A359-Q362 PolarHBondContact O-N 3.39Å; A359-A363 WeakPolarHBondContact O-CB 3.41Å; A359-A363 PolarHBondContact O-N 2.96Å |
| 360 | M | 90.8 | Very high | 91 | Very high | 86 Ų | 86 | 65.8 Ų | 65.8 | 42% | 0.424 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.1 | -44.5 | 176 | -169.4 | 169.8 | 66.6 | 0 | 0 | 111.8 | L356 L358 Q362 A363 T364 V383 L387 | L356-M360 WeakPolarHBondContact O-CB 3.49Å; L356-M360 PolarHBondContact O-N 2.91Å; L358-M360 PolarHBondContact O-N 3.42Å; M360-Q362 PolarHBondContact O-N 3.01Å; M360-A363 PolarHBondContact O-N 2.87Å; M360-T364 PolarHBondContact O-N 3.07Å; M360-T364 PolarHBondContact O-OG1 3.36Å; M360-T364 VanDerWaalsContact O-OG1 3.07Å; M360-V383 HydrophobicContact CG-CG1 3.95Å; M360-L387 HydrophobicContact SD-CD1 3.87Å; M360-L387 HydrophobicContact SD-CD2 4.08Å |
| 361 | G | 90.7 | Very high | 91.2 | Very high | 40 Ų | 40 | 66.8 Ų | 66.8 | 41% | 0.412 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.2 | -40 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | A357 L358 T364 Q365 | A357-G361 PolarHBondContact O-N 3.13Å; L358-G361 PolarHBondContact O-N 3.12Å; G361-T364 PolarHBondContact O-N 2.96Å; G361-Q365 WeakPolarHBondContact O-CB 3.3Å; G361-Q365 PolarHBondContact O-N 3.31Å |
| 362 | Q | 92.8 | Very high | 91.5 | Very high | 128 Ų | 128 | 73.9 Ų | 73.9 | 60% | 0.598 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -64.7 | -42.4 | 174.7 | -76.1 | 173.3 | -12.9 | 0 | 0 | 112 | L358 A359 M360 Q365 C366 | L358-Q362 WeakPolarHBondContact O-CB 3.5Å; L358-Q362 VanDerWaalsContact O-CG 3.26Å; L358-Q362 WeakPolarHBondContact O-CG 3.37Å; L358-Q362 PolarHBondContact O-N 3.25Å; A359-Q362 PolarHBondContact O-N 3.39Å; M360-Q362 PolarHBondContact O-N 3.01Å; Q362-Q365 PolarHBondContact O-N 3.46Å; Q362-C366 VanDerWaalsContact O-CB 3.22Å; Q362-C366 WeakPolarHBondContact O-CB 3.37Å; Q362-C366 PolarHBondContact O-N 3.1Å |
| 363 | A | 92 | Very high | 91.8 | Very high | 43 Ų | 43 | 73.9 Ų | 73.9 | 36% | 0.355 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -61.3 | -47.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | A359 M360 Q365 C366 L367 V383 | A359-A363 WeakPolarHBondContact O-CB 3.41Å; A359-A363 PolarHBondContact O-N 2.96Å; M360-A363 PolarHBondContact O-N 2.87Å; A363-Q365 PolarHBondContact O-N 3.36Å; A363-C366 WeakPolarHBondContact O-CB 3.41Å; A363-C366 PolarHBondContact O-N 3.28Å; A363-L367 PolarHBondContact O-N 3.28Å; A363-V383 HydrophobicContact CB-CG2 3.97Å |
| 364 | T | 91.9 | Very high | 91.9 | Very high | 78 Ų | 78 | 72.1 Ų | 72.1 | 48% | 0.479 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -60.8 | -44.3 | 176.1 | -57.7 | 0 | 0 | 0 | 0 | 111.9 | M360 G361 L367 G368 V383 | M360-T364 PolarHBondContact O-N 3.07Å; M360-T364 PolarHBondContact O-OG1 3.36Å; M360-T364 VanDerWaalsContact O-OG1 3.07Å; G361-T364 PolarHBondContact O-N 2.96Å; T364-L367 PolarHBondContact O-N 3.12Å; T364-G368 PolarHBondContact O-N 2.95Å; T364-G368 VanDerWaalsContact O-N 3.14Å; T364-V383 WeakPolarHBondContact OG1-CG2 3.46Å |
| 365 | Q | 92.9 | Very high | 91.8 | Very high | 133 Ų | 133 | 75.6 Ų | 75.6 | 62% | 0.621 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -66.6 | -37.1 | 176.9 | -170.7 | 175.6 | 42.8 | 0 | 0 | 112.1 | G361 Q362 A363 G368 L369 | G361-Q365 WeakPolarHBondContact O-CB 3.3Å; G361-Q365 PolarHBondContact O-N 3.31Å; Q362-Q365 PolarHBondContact O-N 3.46Å; A363-Q365 PolarHBondContact O-N 3.36Å; Q365-G368 PolarHBondContact O-N 3.35Å; Q365-L369 HydrophobicContact CG-CD1 4.45Å; Q365-L369 WeakPolarHBondContact O-CG 3.49Å; Q365-L369 PolarHBondContact O-N 3.23Å |
| 366 | C | 92.6 | Very high | 91.5 | Very high | 66 Ų | 66 | 75.4 Ų | 75.4 | 45% | 0.446 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -60.5 | -49.4 | 176.2 | -170.8 | 0 | 0 | 0 | 0 | 111 | Q362 A363 G368 L369 M370 | Q362-C366 VanDerWaalsContact O-CB 3.22Å; Q362-C366 WeakPolarHBondContact O-CB 3.37Å; Q362-C366 PolarHBondContact O-N 3.1Å; A363-C366 WeakPolarHBondContact O-CB 3.41Å; A363-C366 PolarHBondContact O-N 3.28Å; C366-G368 VanDerWaalsContact C-N 3.29Å; C366-G368 PolarHBondContact O-N 2.85Å; C366-L369 PolarHBondContact O-N 2.95Å; C366-L369 VanDerWaalsContact O-N 3.08Å; C366-M370 VanDerWaalsContact O-CG 3.27Å; C366-M370 WeakPolarHBondContact O-CG 3.46Å; C366-M370 PolarHBondContact O-N 3.41Å |
| 367 | L | 91.3 | Very high | 91.2 | Very high | 41 Ų | 41 | 74.8 Ų | 74.8 | 22% | 0.215 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -56.7 | -42.4 | 173.9 | -70.3 | 171.9 | 0 | 0 | 0 | 112.1 | A363 T364 L369 M370 A371 C378 A381 V383 | A363-L367 PolarHBondContact O-N 3.28Å; T364-L367 PolarHBondContact O-N 3.12Å; L367-L369 PolarHBondContact O-N 3.18Å; L367-M370 HydrophobicContact CD2-SD 4.46Å; L367-M370 PolarHBondContact O-N 3.03Å; L367-A371 WeakPolarHBondContact O-CB 3.49Å; L367-A371 PolarHBondContact O-N 3.15Å; L367-C378 HydrophobicContact CD2-CB 3.87Å; L367-A381 HydrophobicContact CD2-CB 4.46Å; L367-V383 HydrophobicContact CD1-CG2 3.82Å |
| 368 | G | 90.8 | Very high | 91.2 | Very high | 37 Ų | 37 | 73.7 Ų | 73.7 | 38% | 0.381 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -63.4 | -36.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | T364 Q365 C366 R372 | T364-G368 PolarHBondContact O-N 2.95Å; T364-G368 VanDerWaalsContact O-N 3.14Å; Q365-G368 PolarHBondContact O-N 3.35Å; C366-G368 VanDerWaalsContact C-N 3.29Å; C366-G368 PolarHBondContact O-N 2.85Å; G368-R372 WeakPolarHBondContact O-CG 3.47Å; G368-R372 PolarHBondContact O-N 3.35Å |
| 369 | L | 93.6 | Very high | 90.9 | Very high | 90 Ų | 90 | 73.7 Ų | 73.7 | 47% | 0.471 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -71.1 | -44.8 | 173.4 | -70.3 | 173.4 | 0 | 0 | 0 | 111.4 | Q365 C366 L367 A371 R372 S373 | Q365-L369 HydrophobicContact CG-CD1 4.45Å; Q365-L369 WeakPolarHBondContact O-CG 3.49Å; Q365-L369 PolarHBondContact O-N 3.23Å; C366-L369 PolarHBondContact O-N 2.95Å; C366-L369 VanDerWaalsContact O-N 3.08Å; L367-L369 PolarHBondContact O-N 3.18Å; L369-A371 VanDerWaalsContact C-N 3.26Å; L369-A371 PolarHBondContact O-N 3.28Å; L369-R372 PolarHBondContact O-N 2.94Å; L369-R372 VanDerWaalsContact O-N 3.12Å; L369-S373 PolarHBondContact O-N 2.77Å; L369-S373 PolarHBondContact O-OG 3.49Å |
| 370 | M | 93.4 | Very high | 90.7 | Very high | 60 Ų | 60 | 73.6 Ų | 73.6 | 30% | 0.296 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -55.8 | -41.7 | 175.2 | -69.2 | 175 | 73.3 | 0 | 0 | 111.6 | C366 L367 S373 G374 I375 C378 | C366-M370 VanDerWaalsContact O-CG 3.27Å; C366-M370 WeakPolarHBondContact O-CG 3.46Å; C366-M370 PolarHBondContact O-N 3.41Å; L367-M370 HydrophobicContact CD2-SD 4.46Å; L367-M370 PolarHBondContact O-N 3.03Å; M370-S373 CarbonylContact O-C 3.58Å; M370-S373 PolarHBondContact O-N 2.9Å; M370-G374 PolarHBondContact O-N 3.29Å; M370-I375 HydrophobicContact CB-CB 4.18Å; M370-I375 HydrophobicContact CB-CD1 4.07Å; M370-I375 HydrophobicContact CE-CD1 4.26Å; M370-I375 HydrophobicContact CE-CG2 3.93Å; M370-I375 HydrophobicContact CG-CD1 4.03Å; M370-I375 WeakPolarHBondContact O-CB 3.31Å; M370-I375 PolarHBondContact O-N 2.98Å; M370-C378 HydrophobicContact CB-CB 3.86Å; M370-C378 HydrophobicContact CE-CB 4.27Å; M370-C378 HydrophobicContact SD-CB 4.47Å |
| 371 | A | 92.1 | Very high | 90.5 | Very high | 60 Ų | 60 | 70 Ų | 70 | 50% | 0.496 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -62.5 | -45.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L367 L369 S373 G374 C378 | L367-A371 WeakPolarHBondContact O-CB 3.49Å; L367-A371 PolarHBondContact O-N 3.15Å; L369-A371 VanDerWaalsContact C-N 3.26Å; L369-A371 PolarHBondContact O-N 3.28Å; A371-S373 VanDerWaalsContact C-N 3.27Å; A371-S373 PolarHBondContact O-N 2.75Å; A371-G374 PolarHBondContact O-N 2.87Å; A371-C378 WeakPolarHBondContact CA-SG 3.36Å; A371-C378 PolarHBondContact N-SG 3.08Å |
| 372 | R | 93.1 | Very high | 90.2 | Very high | 218 Ų | 218 | 70.6 Ų | 70.6 | 82% | 0.823 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -67.1 | -27.3 | 176.8 | -69.7 | 175.7 | 66 | -166 | -0.7 | 113.1 | G368 L369 G374 | G368-R372 WeakPolarHBondContact O-CG 3.47Å; G368-R372 PolarHBondContact O-N 3.35Å; L369-R372 PolarHBondContact O-N 2.94Å; L369-R372 VanDerWaalsContact O-N 3.12Å; R372-G374 VanDerWaalsContact C-N 3.26Å |
| 373 | S | 94.3 | Very high | 89.9 | Confident | 96 Ų | 96 | 66 Ų | 66 | 67% | 0.671 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | 2.8 | 171.7 | -65.9 | 0 | 0 | 0 | 0 | 113.8 | L369 M370 A371 | L369-S373 PolarHBondContact O-N 2.77Å; L369-S373 PolarHBondContact O-OG 3.49Å; M370-S373 CarbonylContact O-C 3.58Å; M370-S373 PolarHBondContact O-N 2.9Å; A371-S373 VanDerWaalsContact C-N 3.27Å; A371-S373 PolarHBondContact O-N 2.75Å |
| 374 | G | 90.9 | Very high | 89.6 | Confident | 65 Ų | 65 | 70.6 Ų | 70.6 | 67% | 0.67 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.9 | 15.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | M370 A371 R372 G376 | M370-G374 PolarHBondContact O-N 3.29Å; A371-G374 PolarHBondContact O-N 2.87Å; R372-G374 VanDerWaalsContact C-N 3.26Å; G374-G376 PolarHBondContact O-N 3.26Å |
| 375 | I | 90.1 | Very high | 89.2 | Confident | 75 Ų | 75 | 70.7 Ų | 70.7 | 39% | 0.385 | 43% | 0.425 | S | S | . | . | trans | -77.5 | 86.5 | 179.2 | -55.5 | 176.5 | 0 | 0 | 0 | 109 | M370 S377 C378 | M370-I375 HydrophobicContact CB-CB 4.18Å; M370-I375 HydrophobicContact CB-CD1 4.07Å; M370-I375 HydrophobicContact CE-CD1 4.26Å; M370-I375 HydrophobicContact CE-CG2 3.93Å; M370-I375 HydrophobicContact CG-CD1 4.03Å; M370-I375 WeakPolarHBondContact O-CB 3.31Å; M370-I375 PolarHBondContact O-N 2.98Å; I375-S377 PolarHBondContact O-N 3.01Å; I375-C378 PolarHBondContact O-N 3.44Å; I375-C378 PolarHBondContact O-SG 3.22Å | ||
| 376 | G | 85.2 | Confident | 88.5 | Confident | 50 Ų | 50 | 68.9 Ų | 68.9 | 52% | 0.515 | 41% | 0.413 | S | S | . | . | G | 310 helix | trans | -53.3 | -25.5 | -174 | 0 | 0 | 0 | 0 | 0 | 115.5 | G374 C378 A379 F380 | G374-G376 PolarHBondContact O-N 3.26Å; G376-C378 VanDerWaalsContact C-N 3.28Å; G376-C378 PolarHBondContact O-N 3.03Å; G376-A379 PolarHBondContact O-N 3.21Å; G376-F380 WeakPolarHBondContact O-CD2 3.4Å; G376-F380 WeakPolarHBondContact O-CE2 3.42Å |
| 377 | S | 85.3 | Confident | 87.6 | Confident | 57 Ų | 57 | 70.7 Ų | 70.7 | 40% | 0.399 | 42% | 0.418 | S | S | . | . | G | 310 helix | trans | -59.3 | -31.7 | 175.7 | -56 | 0 | 0 | 0 | 0 | 114 | I375 A379 F380 | I375-S377 PolarHBondContact O-N 3.01Å; S377-A379 PolarHBondContact O-N 3.42Å; S377-F380 PolarHBondContact O-N 2.93Å |
| 378 | C | 88 | Confident | 85.7 | Confident | 12 Ų | 12 | 79.6 Ų | 79.6 | 8% | 0.081 | 46% | 0.458 | C | S | . | . | G | 310 helix | trans | -72 | -17.9 | -178.1 | 74.6 | 0 | 0 | 0 | 0 | 113 | L367 M370 A371 I375 G376 F380 A381 | L367-C378 HydrophobicContact CD2-CB 3.87Å; M370-C378 HydrophobicContact CB-CB 3.86Å; M370-C378 HydrophobicContact CE-CB 4.27Å; M370-C378 HydrophobicContact SD-CB 4.47Å; A371-C378 WeakPolarHBondContact CA-SG 3.36Å; A371-C378 PolarHBondContact N-SG 3.08Å; I375-C378 PolarHBondContact O-N 3.44Å; I375-C378 PolarHBondContact O-SG 3.22Å; G376-C378 VanDerWaalsContact C-N 3.28Å; G376-C378 PolarHBondContact O-N 3.03Å; C378-F380 PolarHBondContact O-N 2.95Å; C378-F380 VanDerWaalsContact O-N 3.17Å; C378-A381 PolarHBondContact O-N 3.19Å |
| 379 | A | 85.4 | Confident | 85.4 | Confident | 73 Ų | 73 | 81.8 Ų | 81.8 | 60% | 0.603 | 46% | 0.462 | S | S | * | . | G | 310 helix | trans | -70.2 | -5.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | G376 S377 | G376-A379 PolarHBondContact O-N 3.21Å; S377-A379 PolarHBondContact O-N 3.42Å |
| 380 | F | 87.7 | Confident | 85 | Confident | 37 Ų | 37 | 81.3 Ų | 81.3 | 16% | 0.162 | 46% | 0.461 | C | S | . | . | G | 310 helix | trans | -112 | 3 | 179.9 | -58.9 | -76.2 | 0 | 0 | 0 | 113.7 | M1 W4 R5 I8 G376 S377 C378 | M1-F380 HydrophobicContact CE-CE1 3.55Å; M1-F380 HydrophobicContact CE-CZ 4.04Å; M1-F380 HydrophobicContact SD-CE1 3.73Å; M1-F380 HydrophobicContact SD-CZ 4.07Å; W4-F380 HydrophobicContact CB-CD1 3.94Å; W4-F380 HydrophobicContact CB-CD2 4.5Å; W4-F380 HydrophobicContact CB-CE1 3.81Å; W4-F380 HydrophobicContact CB-CE2 4.39Å; W4-F380 HydrophobicContact CB-CG 4.28Å; W4-F380 HydrophobicContact CB-CZ 4.05Å; W4-F380 HydrophobicContact CG-CZ 4.49Å; R5-F380 HydrophobicContact CG-CB 4.11Å; R5-F380 HydrophobicContact CG-CD1 3.82Å; R5-F380 HydrophobicContact CG-CG 4.47Å; I8-F380 HydrophobicContact CB-CB 4.32Å; I8-F380 HydrophobicContact CG1-CB 4.06Å; G376-F380 WeakPolarHBondContact O-CD2 3.4Å; G376-F380 WeakPolarHBondContact O-CE2 3.42Å; S377-F380 PolarHBondContact O-N 2.93Å; C378-F380 PolarHBondContact O-N 2.95Å; C378-F380 VanDerWaalsContact O-N 3.17Å |
| 381 | A | 85.6 | Confident | 84.5 | Confident | 12 Ų | 12 | 82.5 Ų | 82.5 | 10% | 0.099 | 47% | 0.47 | C | S | . | . | trans | -130.4 | 129.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | I8 I12 L367 C378 | I8-A381 HydrophobicContact CG2-CB 4.06Å; I12-A381 HydrophobicContact CD1-CB 3.96Å; L367-A381 HydrophobicContact CD2-CB 4.46Å; C378-A381 PolarHBondContact O-N 3.19Å | ||
| 382 | T | 86 | Confident | 84.1 | Confident | 52 Ų | 52 | 83.8 Ų | 83.8 | 32% | 0.319 | 47% | 0.469 | S | S | . | . | trans | -120.1 | 155.2 | 167.2 | 76.8 | 0 | 0 | 0 | 0 | 109 | E384 D385 Y386 | T382-E384 VanDerWaalsContact C-N 3.26Å; T382-D385 WeakPolarHBondContact CB-OD2 3.47Å; T382-D385 PolarHBondContact N-OD2 3.39Å; T382-D385 PolarHBondContact OG1-N 2.91Å; T382-D385 VanDerWaalsContact OG1-N 3.12Å; T382-D385 PolarHBondContact OG1-OD2 3.29Å; T382-Y386 VanDerWaalsContact O-CD2 3.28Å; T382-Y386 WeakPolarHBondContact O-CD2 3.48Å | ||
| 383 | V | 86.1 | Confident | 83.5 | Confident | 31 Ų | 31 | 75.4 Ų | 75.4 | 19% | 0.188 | 45% | 0.447 | C | S | . | . | S | Bend | trans | -69.8 | -31.1 | 173.6 | -176.2 | 0 | 0 | 0 | 0 | 110.5 | M360 A363 T364 L367 D385 Y386 | M360-V383 HydrophobicContact CG-CG1 3.95Å; A363-V383 HydrophobicContact CB-CG2 3.97Å; T364-V383 WeakPolarHBondContact OG1-CG2 3.46Å; L367-V383 HydrophobicContact CD1-CG2 3.82Å; V383-D385 VanDerWaalsContact C-N 3.33Å; V383-D385 PolarHBondContact O-N 3.15Å; V383-Y386 PolarHBondContact O-N 2.75Å; V383-Y386 VanDerWaalsContact O-N 3.12Å |
| 384 | E | 85.3 | Confident | 82.8 | Confident | 140 Ų | 140 | 74.1 Ų | 74.1 | 65% | 0.654 | 43% | 0.432 | S | S | * | . | G | 310 helix | trans | -62.6 | -35.8 | -179.9 | -66.5 | 166.6 | -173.9 | 0 | 0 | 112.5 | T382 Y386 L387 H388 | T382-E384 VanDerWaalsContact C-N 3.26Å; E384-Y386 PolarHBondContact O-N 3.46Å; E384-L387 PolarHBondContact O-N 2.88Å; E384-H388 PolarHBondContact O-CD2 3.12Å; E384-H388 VanDerWaalsContact O-CD2 3.26Å |
| 385 | D | 83.4 | Confident | 82.2 | Confident | 80 Ų | 80 | 74.7 Ų | 74.7 | 43% | 0.428 | 42% | 0.415 | S | S | . | . | G | 310 helix | trans | -57.8 | -16.9 | 174.6 | -66 | -55.2 | 0 | 0 | 0 | 113.3 | T382 V383 | T382-D385 WeakPolarHBondContact CB-OD2 3.47Å; T382-D385 PolarHBondContact N-OD2 3.39Å; T382-D385 PolarHBondContact OG1-N 2.91Å; T382-D385 VanDerWaalsContact OG1-N 3.12Å; T382-D385 PolarHBondContact OG1-OD2 3.29Å; V383-D385 VanDerWaalsContact C-N 3.33Å; V383-D385 PolarHBondContact O-N 3.15Å |
| 386 | Y | 78.2 | Confident | 81.6 | Confident | 94 Ų | 94 | 74.7 Ų | 74.7 | 37% | 0.369 | 42% | 0.417 | S | S | . | . | G | 310 helix | trans | -107.4 | 5.9 | -179.8 | -63.1 | -96 | 0 | 0 | 0 | 114.1 | Q9 I12 T382 V383 E384 | Q9-Y386 VanDerWaalsContact CD-OH 3.3Å; Q9-Y386 VanDerWaalsContact NE2-CZ 3.28Å; Q9-Y386 PolarHBondContact NE2-OH 3.37Å; Q9-Y386 PolarHBondContact OE1-OH 3.19Å; I12-Y386 WeakPolarHBondContact CB-OH 3.44Å; I12-Y386 WeakPolarHBondContact CD1-OH 3.44Å; I12-Y386 HydrophobicContact CG2-CE1 4.14Å; I12-Y386 WeakPolarHBondContact CG2-OH 3.28Å; T382-Y386 VanDerWaalsContact O-CD2 3.28Å; T382-Y386 WeakPolarHBondContact O-CD2 3.48Å; V383-Y386 PolarHBondContact O-N 2.75Å; V383-Y386 VanDerWaalsContact O-N 3.12Å; E384-Y386 PolarHBondContact O-N 3.46Å |
| 387 | L | 74.8 | Confident | 81.4 | Confident | 105 Ų | 105 | 76.8 Ų | 76.8 | 55% | 0.55 | 41% | 0.409 | S | S | . | . | trans | -104.9 | 12.5 | -178.4 | -63.1 | 177.2 | 0 | 0 | 0 | 113.5 | M360 E384 | M360-L387 HydrophobicContact SD-CD1 3.87Å; M360-L387 HydrophobicContact SD-CD2 4.08Å; E384-L387 PolarHBondContact O-N 2.88Å | ||
| 388 | H | 50.5 | Low | 81 | Confident | 228 Ų | 228 | 78.5 Ų | 78.5 | 100% | 1.056 | 41% | 0.41 | S | S | * | . | trans | -125.5 | 0 | -169.9 | -69.9 | -49.8 | 0 | 0 | 0 | 113.3 | E384 | E384-H388 PolarHBondContact O-CD2 3.12Å; E384-H388 VanDerWaalsContact O-CD2 3.26Å |
Retrieved 388 of 388 residues in 241 ms
(Link to these results)