| 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 | 37.3 | Very low | 43.3 | Very low | 242 Ų | 242 | 117.1 Ų | 117.1 | 100% | 1.192 | 78% | 0.78 | S | S | * | * | 0 | 110 | 0 | -70.5 | -150.1 | -79.7 | 0 | 0 | 106.8 | G3 | M1-G3 PolarHBondContact O-N 3.15Š| |||
| 2 | A | 35.1 | Very low | 44.9 | Very low | 105 Ų | 105 | 118.4 Ų | 118.4 | 87% | 0.868 | 78% | 0.782 | S | S | * | * | trans | -62.7 | 118.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | T4 | A2-T4 PolarHBondContact O-N 3.05Š| ||
| 3 | G | 38.3 | Very low | 47 | Very low | 69 Ų | 69 | 118.5 Ų | 118.5 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | trans | -56.3 | 130.1 | 171 | 0 | 0 | 0 | 0 | 0 | 108.6 | M1 G5 | M1-G3 PolarHBondContact O-N 3.15Å; G3-G5 PolarHBondContact O-N 3.23Å | ||
| 4 | T | 43.7 | Very low | 49.3 | Very low | 139 Ų | 139 | 118.8 Ų | 118.8 | 85% | 0.853 | 77% | 0.769 | S | S | * | * | trans | -50 | 109.9 | 162.4 | 43.7 | 0 | 0 | 0 | 0 | 107 | A2 L6 | A2-T4 PolarHBondContact O-N 3.05Å; T4-L6 PolarHBondContact O-N 3.29Å | ||
| 5 | G | 40.3 | Very low | 51.6 | Low | 59 Ų | 59 | 115.1 Ų | 115.1 | 61% | 0.608 | 75% | 0.752 | S | S | * | * | trans | -56.9 | 128.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | G3 V7 | G3-G5 PolarHBondContact O-N 3.23Å; G5-V7 PolarHBondContact O-N 3.04Å | ||
| 6 | L | 43.8 | Very low | 54 | Low | 147 Ų | 147 | 108.6 Ų | 108.6 | 77% | 0.77 | 71% | 0.709 | S | S | * | * | trans | -52.8 | 111.7 | 166.5 | -83.1 | 106.4 | 0 | 0 | 0 | 107.7 | T4 E10 | T4-L6 PolarHBondContact O-N 3.29Å; L6-E10 VanDerWaalsContact CD2-OE2 3.24Å; L6-E10 WeakPolarHBondContact CD2-OE2 3.24Å; L6-E10 WeakPolarHBondContact CG-OE2 3.24Å | ||
| 7 | V | 43.1 | Very low | 56.2 | Low | 110 Ų | 110 | 106 Ų | 106 | 67% | 0.667 | 69% | 0.692 | S | S | * | * | trans | -74.6 | 128.5 | 174 | -172.3 | 0 | 0 | 0 | 0 | 106.7 | G5 G9 E10 | G5-V7 PolarHBondContact O-N 3.04Å; V7-G9 PolarHBondContact O-N 3.14Å; V7-E10 PolarHBondContact O-N 3.07Å | ||
| 8 | A | 38.1 | Very low | 58.1 | Low | 107 Ų | 107 | 104.4 Ų | 104.4 | 88% | 0.884 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.3 | 110.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 9 | G | 49 | Very low | 59.8 | Low | 73 Ų | 73 | 101.3 Ų | 101.3 | 75% | 0.753 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 126.6 | 2.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | V7 V11 | V7-G9 PolarHBondContact O-N 3.14Å; G9-V11 PolarHBondContact O-N 3.15Å |
| 10 | E | 51.3 | Low | 61.3 | Low | 117 Ų | 117 | 100.4 Ų | 100.4 | 55% | 0.547 | 64% | 0.635 | S | S | . | * | trans | -63.2 | 93 | 172.6 | -79.8 | -176.2 | -177.8 | 0 | 0 | 111.4 | L6 V7 V12 | L6-E10 VanDerWaalsContact CD2-OE2 3.24Å; L6-E10 WeakPolarHBondContact CD2-OE2 3.24Å; L6-E10 WeakPolarHBondContact CG-OE2 3.24Å; V7-E10 PolarHBondContact O-N 3.07Å; E10-V12 PolarHBondContact O-N 3.35Å | ||
| 11 | V | 56.8 | Low | 62.4 | Low | 120 Ų | 120 | 103 Ų | 103 | 73% | 0.727 | 64% | 0.64 | S | S | * | * | trans | -61.4 | 115 | 155.6 | 178.2 | 0 | 0 | 0 | 0 | 105.7 | G9 V13 | G9-V11 PolarHBondContact O-N 3.15Å; V11-V13 VanDerWaalsContact C-N 3.28Å; V11-V13 HydrophobicContact CB-CG2 4.42Å; V11-V13 HydrophobicContact CG1-CG2 4Å; V11-V13 PolarHBondContact O-N 3.47Å | ||
| 12 | V | 62.1 | Low | 64.7 | Low | 133 Ų | 133 | 93.9 Ų | 93.9 | 81% | 0.806 | 61% | 0.608 | S | S | * | * | trans | -68.1 | 94.6 | 170.7 | -179.8 | 0 | 0 | 0 | 0 | 106.6 | E10 D14 | E10-V12 PolarHBondContact O-N 3.35Å; V12-D14 PolarHBondContact O-N 2.9Å | ||
| 13 | V | 71.9 | Confident | 66.9 | Low | 120 Ų | 120 | 93.3 Ų | 93.3 | 73% | 0.727 | 58% | 0.584 | S | S | * | * | trans | -80.5 | 105.8 | 174.6 | 180 | 0 | 0 | 0 | 0 | 107.1 | V11 | V11-V13 VanDerWaalsContact C-N 3.28Å; V11-V13 HydrophobicContact CB-CG2 4.42Å; V11-V13 HydrophobicContact CG1-CG2 4Å; V11-V13 PolarHBondContact O-N 3.47Å | ||
| 14 | D | 79.1 | Confident | 69 | Low | 122 Ų | 122 | 96.4 Ų | 96.4 | 65% | 0.652 | 58% | 0.58 | S | S | * | * | trans | -88.7 | 124.2 | 173.7 | -166.9 | 12.6 | 0 | 0 | 0 | 110.1 | V12 L16 | V12-D14 PolarHBondContact O-N 2.9Å; D14-L16 WeakPolarHBondContact OD1-CD2 3.43Å | ||
| 15 | A | 83.6 | Confident | 71.2 | Confident | 63 Ų | 63 | 91.9 Ų | 91.9 | 52% | 0.521 | 56% | 0.557 | S | S | . | * | trans | -145.2 | 132.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 107.5 | P17 | A15-P17 WeakPolarHBondContact O-CD 3.31Š| ||
| 16 | L | 90.6 | Very high | 73.6 | Confident | 12 Ų | 12 | 95.5 Ų | 95.5 | 6% | 0.063 | 57% | 0.569 | C | S | . | * | trans | -113.1 | 67.4 | -172.7 | -53.6 | 177.9 | 0 | 0 | 0 | 112.5 | D14 Y18 F19 D20 Q171 A174 L178 | D14-L16 WeakPolarHBondContact OD1-CD2 3.43Å; L16-Y18 PolarHBondContact O-N 3.37Å; L16-F19 HydrophobicContact CB-CB 3.99Å; L16-F19 PolarHBondContact O-N 3Å; L16-D20 PolarHBondContact O-N 3.2Å; L16-Q171 HydrophobicContact CB-CB 4.36Å; L16-Q171 HydrophobicContact CB-CG 4.38Å; L16-Q171 HydrophobicContact CD2-CB 4.1Å; L16-Q171 HydrophobicContact CD2-CG 3.69Å; L16-A174 HydrophobicContact CD1-CB 4.45Å; L16-L178 HydrophobicContact CD1-CD1 3.75Å | ||
| 17 | P | 90.6 | Very high | 75.8 | Confident | 64 Ų | 64 | 90.3 Ų | 90.3 | 42% | 0.416 | 55% | 0.551 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -52.9 | -28.3 | -176.8 | -28.3 | 31 | 0 | 0 | 0 | 116.8 | A15 Y23 | A15-P17 WeakPolarHBondContact O-CD 3.31Å; P17-Y23 HydrophobicContact CB-CE1 4.26Å |
| 18 | Y | 91.4 | Very high | 78.1 | Confident | 77 Ų | 77 | 88.2 Ų | 88.2 | 30% | 0.302 | 54% | 0.539 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -19 | 176.7 | -73.9 | -66.9 | 0 | 0 | 0 | 113.5 | L16 N164 R167 K168 Q171 | L16-Y18 PolarHBondContact O-N 3.37Å; Y18-N164 WeakPolarHBondContact OH-CB 3.33Å; Y18-R167 HydrophobicContact CD2-CG 4.3Å; Y18-R167 HydrophobicContact CE2-CB 4.29Å; Y18-R167 HydrophobicContact CE2-CG 4.17Å; Y18-K168 HydrophobicContact CD1-CB 4.17Å; Y18-K168 HydrophobicContact CD1-CD 4.14Å; Y18-K168 HydrophobicContact CD1-CG 4.01Å; Y18-K168 HydrophobicContact CD2-CB 3.84Å; Y18-K168 HydrophobicContact CD2-CG 4.39Å; Y18-K168 HydrophobicContact CE1-CB 4.37Å; Y18-K168 HydrophobicContact CE1-CD 4.4Å; Y18-K168 HydrophobicContact CE2-CB 4.04Å; Y18-K168 HydrophobicContact CG-CB 3.92Å; Y18-K168 HydrophobicContact CG-CG 3.95Å; Y18-Q171 VanDerWaalsContact CB-OE1 3.3Å; Y18-Q171 VanDerWaalsContact CD2-OE1 3.32Å |
| 19 | F | 90.6 | Very high | 80.6 | Confident | 46 Ų | 46 | 90.2 Ų | 90.2 | 20% | 0.202 | 52% | 0.524 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | -47.7 | 177.9 | -175.5 | -98.5 | 0 | 0 | 0 | 111.6 | L16 Q21 L172 G175 | L16-F19 HydrophobicContact CB-CB 3.99Å; L16-F19 PolarHBondContact O-N 3Å; F19-Q21 PolarHBondContact O-N 3.49Å; F19-L172 HydrophobicContact CD2-CD2 4.3Å; F19-G175 VanDerWaalsContact CE2-CA 3.47Å; F19-G175 WeakPolarHBondContact CZ-O 3.17Å |
| 20 | D | 89.1 | Confident | 82.7 | Confident | 82 Ų | 82 | 92.8 Ų | 92.8 | 44% | 0.439 | 52% | 0.516 | S | S | . | . | trans | -79 | 83.9 | -179.1 | -65.8 | -36.7 | 0 | 0 | 0 | 110.6 | L16 G22 Y23 | L16-D20 PolarHBondContact O-N 3.2Å; D20-G22 VanDerWaalsContact C-N 3.25Å; D20-G22 PolarHBondContact O-N 3.22Å; D20-Y23 WeakPolarHBondContact O-CD1 3.49Å; D20-Y23 WeakPolarHBondContact O-CE1 3.45Å | ||
| 21 | Q | 85.6 | Confident | 84.8 | Confident | 156 Ų | 156 | 89.9 Ų | 89.9 | 73% | 0.729 | 51% | 0.512 | S | S | * | . | G | 310 helix | trans | -79.1 | -8.3 | -178.6 | -63.6 | 179.4 | 7.9 | 0 | 0 | 113.7 | F19 Y23 | F19-Q21 PolarHBondContact O-N 3.49Å; Q21-Y23 VanDerWaalsContact C-N 3.3Å; Q21-Y23 PolarHBondContact O-N 2.89Å |
| 22 | G | 83.7 | Confident | 86.5 | Confident | 51 Ų | 51 | 86.6 Ų | 86.6 | 53% | 0.526 | 50% | 0.497 | S | S | . | . | G | 310 helix | trans | -70.6 | -17.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | D20 E24 A25 | D20-G22 VanDerWaalsContact C-N 3.25Å; D20-G22 PolarHBondContact O-N 3.22Å; G22-E24 PolarHBondContact O-N 3.3Å; G22-A25 VanDerWaalsContact O-CB 3.22Å; G22-A25 WeakPolarHBondContact O-CB 3.32Å; G22-A25 PolarHBondContact O-N 2.98Å; G22-A25 VanDerWaalsContact O-N 3.11Å |
| 23 | Y | 81.6 | Confident | 88 | Confident | 92 Ų | 92 | 83 Ų | 83 | 36% | 0.361 | 48% | 0.481 | S | S | . | . | G | 310 helix | trans | -72 | -13.9 | -179.9 | 71.2 | -96 | 0 | 0 | 0 | 113.8 | P17 D20 Q21 A25 | P17-Y23 HydrophobicContact CB-CE1 4.26Å; D20-Y23 WeakPolarHBondContact O-CD1 3.49Å; D20-Y23 WeakPolarHBondContact O-CE1 3.45Å; Q21-Y23 VanDerWaalsContact C-N 3.3Å; Q21-Y23 PolarHBondContact O-N 2.89Å; Y23-A25 VanDerWaalsContact C-N 3.31Å |
| 24 | E | 82.8 | Confident | 89.1 | Confident | 134 Ų | 134 | 79.8 Ų | 79.8 | 63% | 0.626 | 47% | 0.468 | S | S | * | . | G | 310 helix | trans | -86.5 | -3.8 | 172.5 | -60.4 | -155.7 | 144.8 | 0 | 0 | 112.8 | G22 R29 | G22-E24 PolarHBondContact O-N 3.3Å; E24-R29 IonicContact OE1-NH2 3.49Å |
| 25 | A | 89.1 | Confident | 89.8 | Confident | 45 Ų | 45 | 80 Ų | 80 | 37% | 0.372 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -62.1 | 138.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | G22 Y23 G27 V28 | G22-A25 VanDerWaalsContact O-CB 3.22Å; G22-A25 WeakPolarHBondContact O-CB 3.32Å; G22-A25 PolarHBondContact O-N 2.98Å; G22-A25 VanDerWaalsContact O-N 3.11Å; Y23-A25 VanDerWaalsContact C-N 3.31Å; A25-G27 PolarHBondContact O-N 2.9Å; A25-V28 HydrophobicContact CB-CG2 3.91Å; A25-V28 PolarHBondContact O-N 2.97Å |
| 26 | P | 90.8 | Very high | 90.3 | Very high | 134 Ų | 134 | 81.4 Ų | 81.4 | 87% | 0.87 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | 133.4 | 179.2 | -25.2 | 33.5 | 0 | 0 | 0 | 111.7 | ||
| 27 | G | 90.8 | Very high | 90.4 | Very high | 38 Ų | 38 | 87.6 Ų | 87.6 | 39% | 0.392 | 50% | 0.499 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.4 | -17.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | A25 E30 A31 | A25-G27 PolarHBondContact O-N 2.9Å; G27-E30 WeakPolarHBondContact CA-OE2 3.33Å; G27-E30 PolarHBondContact N-OE2 3.05Å; G27-E30 VanDerWaalsContact N-OE2 3.08Å; G27-A31 VanDerWaalsContact O-CB 3.26Å; G27-A31 WeakPolarHBondContact O-CB 3.44Å; G27-A31 PolarHBondContact O-N 3.24Å |
| 28 | V | 91.6 | Very high | 90.5 | Very high | 66 Ų | 66 | 87.5 Ų | 87.5 | 40% | 0.4 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -70.8 | -42 | -178 | 177.2 | 0 | 0 | 0 | 0 | 111.5 | A25 A31 A32 | A25-V28 HydrophobicContact CB-CG2 3.91Å; A25-V28 PolarHBondContact O-N 2.97Å; V28-A31 PolarHBondContact O-N 3.4Å; V28-A32 WeakPolarHBondContact O-CB 3.41Å; V28-A32 PolarHBondContact O-N 2.94Å |
| 29 | R | 90.4 | Very high | 90.5 | Very high | 150 Ų | 150 | 87.6 Ų | 87.6 | 57% | 0.566 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -67.5 | -40.1 | 178.1 | -68.8 | -173.2 | -176.1 | 176.9 | 3.5 | 111.4 | E24 A32 A33 | E24-R29 IonicContact OE1-NH2 3.49Å; R29-A32 PolarHBondContact O-N 3.44Å; R29-A33 VanDerWaalsContact O-CB 3.3Å; R29-A33 WeakPolarHBondContact O-CB 3.41Å; R29-A33 PolarHBondContact O-N 2.89Å |
| 30 | E | 94 | Very high | 90.4 | Very high | 126 Ų | 126 | 89.3 Ų | 89.3 | 59% | 0.589 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.8 | -44.6 | 177.3 | -63.7 | 78.8 | -175.7 | 0 | 0 | 110.9 | G27 A33 A34 | G27-E30 WeakPolarHBondContact CA-OE2 3.33Å; G27-E30 PolarHBondContact N-OE2 3.05Å; G27-E30 VanDerWaalsContact N-OE2 3.08Å; E30-A33 PolarHBondContact O-N 3.43Å; E30-A34 WeakPolarHBondContact O-CB 3.44Å; E30-A34 PolarHBondContact O-N 3.33Å |
| 31 | A | 93.8 | Very high | 90.4 | Very high | 56 Ų | 56 | 94.2 Ų | 94.2 | 46% | 0.463 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.6 | -45.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | G27 V28 A33 A34 L35 | G27-A31 VanDerWaalsContact O-CB 3.26Å; G27-A31 WeakPolarHBondContact O-CB 3.44Å; G27-A31 PolarHBondContact O-N 3.24Å; V28-A31 PolarHBondContact O-N 3.4Å; A31-A33 PolarHBondContact O-N 2.93Å; A31-A34 PolarHBondContact O-N 3.17Å; A31-L35 WeakPolarHBondContact O-CG 3.43Å; A31-L35 PolarHBondContact O-N 3.36Å; A31-L35 VanDerWaalsContact O-N 3.09Å |
| 32 | A | 93.2 | Very high | 90.5 | Very high | 51 Ų | 51 | 94.2 Ų | 94.2 | 42% | 0.421 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.9 | -43.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | V28 R29 L35 V36 | V28-A32 WeakPolarHBondContact O-CB 3.41Å; V28-A32 PolarHBondContact O-N 2.94Å; R29-A32 PolarHBondContact O-N 3.44Å; A32-L35 PolarHBondContact O-N 3.46Å; A32-V36 WeakPolarHBondContact O-CG2 3.46Å; A32-V36 PolarHBondContact O-N 2.9Å |
| 33 | A | 93.8 | Very high | 90.3 | Very high | 57 Ų | 57 | 99.9 Ų | 99.9 | 47% | 0.471 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.4 | -42.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | R29 E30 A31 L35 V36 E37 | R29-A33 VanDerWaalsContact O-CB 3.3Å; R29-A33 WeakPolarHBondContact O-CB 3.41Å; R29-A33 PolarHBondContact O-N 2.89Å; E30-A33 PolarHBondContact O-N 3.43Å; A31-A33 PolarHBondContact O-N 2.93Å; A33-L35 VanDerWaalsContact C-N 3.32Å; A33-L35 PolarHBondContact O-N 2.97Å; A33-V36 PolarHBondContact O-N 3.48Å; A33-E37 WeakPolarHBondContact O-CB 3.42Å; A33-E37 PolarHBondContact O-N 2.95Å |
| 34 | A | 95.1 | Very high | 90 | Very high | 54 Ų | 54 | 105.9 Ų | 105.9 | 45% | 0.446 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.4 | -38.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | E30 A31 E37 E38 | E30-A34 WeakPolarHBondContact O-CB 3.44Å; E30-A34 PolarHBondContact O-N 3.33Å; A31-A34 PolarHBondContact O-N 3.17Å; A34-E37 PolarHBondContact O-N 3.22Å; A34-E38 PolarHBondContact O-N 2.83Å |
| 35 | L | 94.3 | Very high | 89.8 | Confident | 125 Ų | 125 | 105 Ų | 105 | 65% | 0.654 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -66.4 | -42.4 | 174.3 | -67.8 | 173.9 | 0 | 0 | 0 | 111.9 | A31 A32 A33 E37 E38 E39 | A31-L35 WeakPolarHBondContact O-CG 3.43Å; A31-L35 PolarHBondContact O-N 3.36Å; A31-L35 VanDerWaalsContact O-N 3.09Å; A32-L35 PolarHBondContact O-N 3.46Å; A33-L35 VanDerWaalsContact C-N 3.32Å; A33-L35 PolarHBondContact O-N 2.97Å; L35-E37 VanDerWaalsContact C-N 3.32Å; L35-E37 PolarHBondContact O-N 3.34Å; L35-E38 PolarHBondContact O-N 3.48Å; L35-E39 PolarHBondContact O-N 3.48Å; L35-E39 VanDerWaalsContact O-N 3.11Å |
| 36 | V | 92.6 | Very high | 89.1 | Confident | 93 Ų | 93 | 109.6 Ų | 109.6 | 56% | 0.564 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -62.2 | -40.9 | 175.1 | 171.9 | 0 | 0 | 0 | 0 | 111 | A32 A33 E39 T40 | A32-V36 WeakPolarHBondContact O-CG2 3.46Å; A32-V36 PolarHBondContact O-N 2.9Å; A33-V36 PolarHBondContact O-N 3.48Å; V36-E39 PolarHBondContact O-N 3.48Å; V36-T40 WeakPolarHBondContact O-CB 3.22Å; V36-T40 PolarHBondContact O-N 3.33Å; V36-T40 PolarHBondContact O-OG1 3Å |
| 37 | E | 92.6 | Very high | 88.6 | Confident | 142 Ų | 142 | 111.6 Ų | 111.6 | 66% | 0.664 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -65.4 | -44.9 | 178.3 | -174 | 175.6 | -167.5 | 0 | 0 | 112.1 | A33 A34 L35 E39 T40 R41 | A33-E37 WeakPolarHBondContact O-CB 3.42Å; A33-E37 PolarHBondContact O-N 2.95Å; A34-E37 PolarHBondContact O-N 3.22Å; L35-E37 VanDerWaalsContact C-N 3.32Å; L35-E37 PolarHBondContact O-N 3.34Å; E37-E39 VanDerWaalsContact C-N 3.33Å; E37-E39 PolarHBondContact O-N 3.18Å; E37-T40 PolarHBondContact O-N 2.94Å; E37-R41 PolarHBondContact O-N 2.91Å |
| 38 | E | 93.7 | Very high | 88.1 | Confident | 62 Ų | 62 | 114.6 Ų | 114.6 | 29% | 0.29 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -61.8 | -40.4 | 177.1 | 178.8 | 59.2 | -160.4 | 0 | 0 | 111.6 | A34 L35 R41 R42 | A34-E38 PolarHBondContact O-N 2.83Å; L35-E38 PolarHBondContact O-N 3.48Å; E38-R41 WeakPolarHBondContact O-CB 3.42Å; E38-R41 PolarHBondContact O-N 3.09Å; E38-R41 IonicContact OE1-NH2 3.3Å; E38-R41 PolarHBondContact OE1-NH2 3.39Å; E38-R41 IonicContact OE2-CZ 3.77Å; E38-R41 IonicContact OE2-NE 2.97Å; E38-R41 PolarHBondContact OE2-NE 3.48Å; E38-R41 IonicContact OE2-NH2 3.18Å; E38-R41 PolarHBondContact OE2-NH2 3.31Å; E38-R42 WeakPolarHBondContact O-CG 3.48Å; E38-R42 PolarHBondContact O-N 3.04Å; E38-R42 IonicContact OE1-CZ 2.69Å; E38-R42 IonicContact OE1-NE 3.15Å; E38-R42 PolarHBondContact OE1-NE 3.23Å; E38-R42 IonicContact OE1-NH2 2.96Å; E38-R42 PolarHBondContact OE1-NH2 2.91Å |
| 39 | E | 90.7 | Very high | 87.6 | Confident | 80 Ų | 80 | 120.1 Ų | 120.1 | 37% | 0.374 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -68.1 | -39 | 174.3 | -72.7 | -57.8 | 129.2 | 0 | 0 | 112.2 | L35 V36 E37 R41 R42 Y43 | L35-E39 PolarHBondContact O-N 3.48Å; L35-E39 VanDerWaalsContact O-N 3.11Å; V36-E39 PolarHBondContact O-N 3.48Å; E37-E39 VanDerWaalsContact C-N 3.33Å; E37-E39 PolarHBondContact O-N 3.18Å; E39-R41 PolarHBondContact O-N 2.86Å; E39-R42 PolarHBondContact O-N 3.41Å; E39-R42 VanDerWaalsContact O-N 3.14Å; E39-R42 IonicContact OE1-CZ 3.37Å; E39-R42 IonicContact OE1-NH1 2.97Å; E39-R42 PolarHBondContact OE1-NH1 3.03Å; E39-Y43 PolarHBondContact O-N 3.47Å; E39-Y43 WeakPolarHBondContact OE2-CE2 3.38Å |
| 40 | T | 88.1 | Confident | 87.3 | Confident | 82 Ų | 82 | 116.5 Ų | 116.5 | 50% | 0.503 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -64.6 | -30.9 | 174.9 | -55.3 | 0 | 0 | 0 | 0 | 111.6 | V36 E37 Y43 | V36-T40 WeakPolarHBondContact O-CB 3.22Å; V36-T40 PolarHBondContact O-N 3.33Å; V36-T40 PolarHBondContact O-OG1 3Å; E37-T40 PolarHBondContact O-N 2.94Å; T40-Y43 CarbonylContact O-C 3.54Å; T40-Y43 VanDerWaalsContact O-O 3.09Å |
| 41 | R | 89 | Confident | 86.9 | Confident | 185 Ų | 185 | 115 Ų | 115 | 70% | 0.698 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -68.8 | -34.9 | 174.5 | -164.8 | 177.6 | 72.1 | 143.5 | 0.7 | 112.2 | E37 E38 E39 | E37-R41 PolarHBondContact O-N 2.91Å; E38-R41 WeakPolarHBondContact O-CB 3.42Å; E38-R41 PolarHBondContact O-N 3.09Å; E38-R41 IonicContact OE1-NH2 3.3Å; E38-R41 PolarHBondContact OE1-NH2 3.39Å; E38-R41 IonicContact OE2-CZ 3.77Å; E38-R41 IonicContact OE2-NE 2.97Å; E38-R41 PolarHBondContact OE2-NE 3.48Å; E38-R41 IonicContact OE2-NH2 3.18Å; E38-R41 PolarHBondContact OE2-NH2 3.31Å; E39-R41 PolarHBondContact O-N 2.86Å |
| 42 | R | 88.3 | Confident | 86.5 | Confident | 155 Ų | 155 | 120.6 Ų | 120.6 | 59% | 0.585 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -77.6 | -42.8 | 179 | -67.7 | 168.2 | -174.8 | -172.4 | -3.3 | 111.9 | E38 E39 | E38-R42 WeakPolarHBondContact O-CG 3.48Å; E38-R42 PolarHBondContact O-N 3.04Å; E38-R42 IonicContact OE1-CZ 2.69Å; E38-R42 IonicContact OE1-NE 3.15Å; E38-R42 PolarHBondContact OE1-NE 3.23Å; E38-R42 IonicContact OE1-NH2 2.96Å; E38-R42 PolarHBondContact OE1-NH2 2.91Å; E39-R42 PolarHBondContact O-N 3.41Å; E39-R42 VanDerWaalsContact O-N 3.14Å; E39-R42 IonicContact OE1-CZ 3.37Å; E39-R42 IonicContact OE1-NH1 2.97Å; E39-R42 PolarHBondContact OE1-NH1 3.03Å |
| 43 | Y | 80.3 | Confident | 86.2 | Confident | 170 Ų | 170 | 122.5 Ų | 122.5 | 67% | 0.667 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -102.9 | 97.5 | -179.8 | -67.5 | -75.7 | 0 | 0 | 0 | 111 | E39 T40 P45 | E39-Y43 PolarHBondContact O-N 3.47Å; E39-Y43 WeakPolarHBondContact OE2-CE2 3.38Å; T40-Y43 CarbonylContact O-C 3.54Å; T40-Y43 VanDerWaalsContact O-O 3.09Å; Y43-P45 WeakPolarHBondContact O-CD 3.35Å |
| 44 | R | 75.5 | Confident | 85.8 | Confident | 218 Ų | 218 | 126.2 Ų | 126.2 | 82% | 0.823 | 62% | 0.616 | S | S | * | * | trans | -67.6 | 125.7 | 167.6 | -67.3 | -167.5 | -178.2 | -157.8 | 1.1 | 109.3 | T46 | R44-T46 PolarHBondContact O-N 2.94Å; R44-T46 VanDerWaalsContact O-N 3.12Å | ||
| 45 | P | 78 | Confident | 85.3 | Confident | 116 Ų | 116 | 127.6 Ų | 127.6 | 75% | 0.753 | 63% | 0.627 | S | S | * | * | trans | -56.8 | 119.3 | 179 | -24.7 | 33.5 | 0 | 0 | 0 | 111.2 | Y43 | Y43-P45 WeakPolarHBondContact O-CD 3.35Š| ||
| 46 | T | 74.1 | Confident | 85 | Confident | 141 Ų | 141 | 125.4 Ų | 125.4 | 87% | 0.865 | 62% | 0.621 | S | S | * | * | trans | -91.9 | -19.7 | 178.7 | 44.1 | 0 | 0 | 0 | 0 | 113 | R44 | R44-T46 PolarHBondContact O-N 2.94Å; R44-T46 VanDerWaalsContact O-N 3.12Å | ||
| 47 | K | 80.2 | Confident | 84.9 | Confident | 177 Ų | 177 | 125.6 Ų | 125.6 | 77% | 0.77 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -121.7 | 131.2 | 176.6 | -67.8 | -176.1 | 179.9 | -179.7 | 0 | 110 | Y49 | K47-Y49 PolarHBondContact O-N 3.24Š|
| 48 | N | 81.3 | Confident | 84.4 | Confident | 100 Ų | 100 | 128.4 Ų | 128.4 | 54% | 0.535 | 63% | 0.625 | S | S | . | * | trans | -70.6 | 110.1 | 167.8 | -176.7 | -4.9 | 0 | 0 | 0 | 108.2 | L50 S51 | N48-L50 PolarHBondContact O-N 3.36Å; N48-L50 VanDerWaalsContact O-N 3.15Å; N48-L50 WeakPolarHBondContact OD1-CA 3.32Å; N48-L50 WeakPolarHBondContact OD1-CB 3.26Å; N48-L50 PolarHBondContact OD1-N 3.49Å; N48-S51 VanDerWaalsContact O-CB 3.24Å; N48-S51 WeakPolarHBondContact O-CB 3.48Å; N48-S51 PolarHBondContact O-N 2.9Å; N48-S51 PolarHBondContact O-OG 3.26Å | ||
| 49 | Y | 80.3 | Confident | 84.1 | Confident | 183 Ų | 183 | 127.7 Ų | 127.7 | 72% | 0.718 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.1 | -15.7 | 178.4 | 67.9 | -86.3 | 0 | 0 | 0 | 112.4 | K47 Y52 | K47-Y49 PolarHBondContact O-N 3.24Å; Y49-Y52 WeakPolarHBondContact O-CD1 3.46Å; Y49-Y52 WeakPolarHBondContact O-CE1 3.39Å |
| 50 | L | 84.4 | Confident | 83.9 | Confident | 74 Ų | 74 | 126.6 Ų | 126.6 | 39% | 0.387 | 63% | 0.631 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.4 | 2.6 | 174.4 | -55.4 | 173.5 | 0 | 0 | 0 | 113.3 | N48 Y52 L53 | N48-L50 PolarHBondContact O-N 3.36Å; N48-L50 VanDerWaalsContact O-N 3.15Å; N48-L50 WeakPolarHBondContact OD1-CA 3.32Å; N48-L50 WeakPolarHBondContact OD1-CB 3.26Å; N48-L50 PolarHBondContact OD1-N 3.49Å; L50-Y52 PolarHBondContact O-N 2.9Å; L50-Y52 VanDerWaalsContact O-N 3.15Å; L50-L53 HydrophobicContact CB-CD1 4.43Å; L50-L53 HydrophobicContact CD2-CD1 3.82Å; L50-L53 WeakPolarHBondContact O-CB 3.29Å; L50-L53 PolarHBondContact O-N 2.91Å |
| 51 | S | 85.5 | Confident | 84 | Confident | 93 Ų | 93 | 131.8 Ų | 131.8 | 65% | 0.65 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | -20.2 | -176.9 | 54.2 | 0 | 0 | 0 | 0 | 114.6 | N48 L53 | N48-S51 VanDerWaalsContact O-CB 3.24Å; N48-S51 WeakPolarHBondContact O-CB 3.48Å; N48-S51 PolarHBondContact O-N 2.9Å; N48-S51 PolarHBondContact O-OG 3.26Å; S51-L53 VanDerWaalsContact C-N 3.27Å |
| 52 | Y | 85.9 | Confident | 84.1 | Confident | 174 Ų | 174 | 125.5 Ų | 125.5 | 68% | 0.682 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | -15.3 | 173.5 | 72.6 | -91.6 | 0 | 0 | 0 | 112.9 | Y49 L50 | Y49-Y52 WeakPolarHBondContact O-CD1 3.46Å; Y49-Y52 WeakPolarHBondContact O-CE1 3.39Å; L50-Y52 PolarHBondContact O-N 2.9Å; L50-Y52 VanDerWaalsContact O-N 3.15Å |
| 53 | L | 85.6 | Confident | 84.3 | Confident | 91 Ų | 91 | 121.8 Ų | 121.8 | 48% | 0.476 | 62% | 0.62 | S | S | . | * | S | Bend | trans | -88.8 | 133.7 | 176.5 | -62.6 | 173.2 | 0 | 0 | 0 | 109.1 | L50 S51 A55 | L50-L53 HydrophobicContact CB-CD1 4.43Å; L50-L53 HydrophobicContact CD2-CD1 3.82Å; L50-L53 WeakPolarHBondContact O-CB 3.29Å; L50-L53 PolarHBondContact O-N 2.91Å; S51-L53 VanDerWaalsContact C-N 3.27Å; L53-A55 PolarHBondContact O-N 2.83Å |
| 54 | T | 86.3 | Confident | 84.8 | Confident | 135 Ų | 135 | 119.6 Ų | 119.6 | 83% | 0.828 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -59 | 136.8 | 168 | -49.2 | 0 | 0 | 0 | 0 | 109.1 | ||
| 55 | A | 85.5 | Confident | 85.7 | Confident | 83 Ų | 83 | 115.3 Ų | 115.3 | 69% | 0.686 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 128.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109 | L53 D57 | L53-A55 PolarHBondContact O-N 2.83Å; A55-D57 PolarHBondContact O-N 3.41Å |
| 56 | P | 87.3 | Confident | 86.4 | Confident | 80 Ų | 80 | 113.7 Ų | 113.7 | 52% | 0.519 | 60% | 0.596 | S | S | . | * | P | Polyproline II helix | trans | -61.7 | 126.8 | 179.9 | 23.4 | -32.1 | 0 | 0 | 0 | 109.6 | Y58 | P56-Y58 HydrophobicContact CB-CE1 4.4Å; P56-Y58 HydrophobicContact CB-CE2 4.27Å; P56-Y58 HydrophobicContact CG-CD2 4.49Å; P56-Y58 HydrophobicContact CG-CE1 4.22Å; P56-Y58 HydrophobicContact CG-CE2 3.66Å; P56-Y58 VanDerWaalsContact CG-CZ 3.48Å; P56-Y58 WeakPolarHBondContact CG-OH 3.43Å; P56-Y58 VanDerWaalsContact O-CD2 3.31Å; P56-Y58 WeakPolarHBondContact O-CD2 3.36Å; P56-Y58 PolarHBondContact O-N 3.48Å |
| 57 | D | 89.3 | Confident | 87.2 | Confident | 96 Ų | 96 | 111.2 Ų | 111.2 | 51% | 0.513 | 57% | 0.57 | S | S | . | * | trans | -78.9 | 98.5 | 169.1 | 179.1 | 8.1 | 0 | 0 | 0 | 108.6 | A55 S59 A60 | A55-D57 PolarHBondContact O-N 3.41Å; D57-S59 PolarHBondContact O-N 3.24Å; D57-S59 WeakPolarHBondContact OD1-CA 3.48Å; D57-S59 WeakPolarHBondContact OD1-CB 3.38Å; D57-S59 PolarHBondContact OD1-N 2.97Å; D57-S59 PolarHBondContact OD1-OG 2.93Å; D57-A60 HydrophobicContact CB-CB 4.05Å; D57-A60 WeakPolarHBondContact O-CB 3.46Å; D57-A60 PolarHBondContact O-N 3.49Å; D57-A60 PolarHBondContact OD1-N 2.86Å | ||
| 58 | Y | 83.6 | Confident | 87.7 | Confident | 202 Ų | 202 | 107.4 Ų | 107.4 | 79% | 0.792 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.7 | -15.3 | 177.6 | -64.4 | -77 | 0 | 0 | 0 | 113 | P56 | P56-Y58 HydrophobicContact CB-CE1 4.4Å; P56-Y58 HydrophobicContact CB-CE2 4.27Å; P56-Y58 HydrophobicContact CG-CD2 4.49Å; P56-Y58 HydrophobicContact CG-CE1 4.22Å; P56-Y58 HydrophobicContact CG-CE2 3.66Å; P56-Y58 VanDerWaalsContact CG-CZ 3.48Å; P56-Y58 WeakPolarHBondContact CG-OH 3.43Å; P56-Y58 VanDerWaalsContact O-CD2 3.31Å; P56-Y58 WeakPolarHBondContact O-CD2 3.36Å; P56-Y58 PolarHBondContact O-N 3.48Å |
| 59 | S | 86.3 | Confident | 88.2 | Confident | 46 Ų | 46 | 106.1 Ų | 106.1 | 32% | 0.322 | 55% | 0.549 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | -0.7 | 178 | 68.7 | 0 | 0 | 0 | 0 | 113.9 | D57 F61 E62 | D57-S59 PolarHBondContact O-N 3.24Å; D57-S59 WeakPolarHBondContact OD1-CA 3.48Å; D57-S59 WeakPolarHBondContact OD1-CB 3.38Å; D57-S59 PolarHBondContact OD1-N 2.97Å; D57-S59 PolarHBondContact OD1-OG 2.93Å; S59-F61 PolarHBondContact O-N 3.34Å; S59-E62 VanDerWaalsContact CB-OE2 3.28Å; S59-E62 WeakPolarHBondContact CB-OE2 3.35Å; S59-E62 WeakPolarHBondContact O-CB 3.49Å; S59-E62 PolarHBondContact O-N 3.43Å |
| 60 | A | 87.7 | Confident | 88.8 | Confident | 58 Ų | 58 | 102.2 Ų | 102.2 | 48% | 0.479 | 54% | 0.536 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -28.3 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114 | D57 | D57-A60 HydrophobicContact CB-CB 4.05Å; D57-A60 WeakPolarHBondContact O-CB 3.46Å; D57-A60 PolarHBondContact O-N 3.49Å; D57-A60 PolarHBondContact OD1-N 2.86Å |
| 61 | F | 88.8 | Confident | 89.2 | Confident | 190 Ų | 190 | 104.3 Ų | 104.3 | 83% | 0.833 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.4 | 8.2 | 179.5 | -55.3 | -74.8 | 0 | 0 | 0 | 113 | S59 T63 | S59-F61 PolarHBondContact O-N 3.34Å; F61-T63 PolarHBondContact O-N 2.9Å |
| 62 | E | 91.5 | Very high | 89.6 | Confident | 53 Ų | 53 | 102.1 Ų | 102.1 | 25% | 0.248 | 52% | 0.521 | C | S | . | . | trans | -73.5 | 114.3 | 175.1 | -70.9 | 177.5 | 177.3 | 0 | 0 | 109.9 | S59 R67 F70 | S59-E62 VanDerWaalsContact CB-OE2 3.28Å; S59-E62 WeakPolarHBondContact CB-OE2 3.35Å; S59-E62 WeakPolarHBondContact O-CB 3.49Å; S59-E62 PolarHBondContact O-N 3.43Å; E62-R67 IonicContact OE2-CZ 2.7Å; E62-R67 IonicContact OE2-NH1 3.63Å; E62-R67 PolarHBondContact OE2-NH1 3.45Å; E62-R67 IonicContact OE2-NH2 2.79Å; E62-F70 HydrophobicContact CG-CE2 4.08Å | ||
| 63 | T | 92.2 | Very high | 89.9 | Confident | 78 Ų | 78 | 98.7 Ų | 98.7 | 48% | 0.479 | 51% | 0.514 | S | S | . | . | trans | -73.7 | 159.2 | 164.9 | 62.5 | 0 | 0 | 0 | 0 | 110.1 | F61 I65 M66 R67 | F61-T63 PolarHBondContact O-N 2.9Å; T63-I65 PolarHBondContact O-N 2.95Å; T63-I65 VanDerWaalsContact O-N 3.15Å; T63-M66 WeakPolarHBondContact O-CB 3.48Å; T63-M66 PolarHBondContact O-N 3.33Å; T63-M66 WeakPolarHBondContact OG1-CG 3.45Å; T63-M66 PolarHBondContact OG1-N 2.87Å; T63-R67 PolarHBondContact O-N 3.27Å | ||
| 64 | D | 92.1 | Very high | 90.3 | Very high | 123 Ų | 123 | 98.5 Ų | 98.5 | 66% | 0.658 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -56 | -34.2 | 177.9 | -61.9 | -36 | 0 | 0 | 0 | 112.5 | R67 N68 | D64-R67 PolarHBondContact O-N 2.84Å; D64-N68 VanDerWaalsContact O-CG 3.24Å; D64-N68 PolarHBondContact O-N 2.96Å; D64-N68 PolarHBondContact O-ND2 3.18Å |
| 65 | I | 92.9 | Very high | 90.7 | Very high | 128 Ų | 128 | 95 Ų | 95 | 66% | 0.656 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.4 | -45 | 175.4 | -59.8 | 174.8 | 0 | 0 | 0 | 110.7 | T63 R67 N68 E69 | T63-I65 PolarHBondContact O-N 2.95Å; T63-I65 VanDerWaalsContact O-N 3.15Å; I65-R67 VanDerWaalsContact C-N 3.33Å; I65-R67 PolarHBondContact O-N 2.97Å; I65-N68 PolarHBondContact O-N 3.3Å; I65-E69 WeakPolarHBondContact O-CG 3.33Å; I65-E69 PolarHBondContact O-N 2.97Å |
| 66 | M | 93.1 | Very high | 91.1 | Very high | 83 Ų | 83 | 101.7 Ų | 101.7 | 41% | 0.409 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.4 | -40.7 | 178.1 | -68.8 | 171.7 | 70.2 | 0 | 0 | 111.4 | T63 E69 F70 | T63-M66 WeakPolarHBondContact O-CB 3.48Å; T63-M66 PolarHBondContact O-N 3.33Å; T63-M66 WeakPolarHBondContact OG1-CG 3.45Å; T63-M66 PolarHBondContact OG1-N 2.87Å; M66-E69 PolarHBondContact O-N 2.89Å; M66-F70 HydrophobicContact CB-CD2 4.49Å; M66-F70 HydrophobicContact CB-CE2 4.14Å; M66-F70 HydrophobicContact CE-CE2 4.28Å; M66-F70 HydrophobicContact CE-CZ 4.26Å; M66-F70 WeakPolarHBondContact O-CD2 3.49Å; M66-F70 VanDerWaalsContact O-CG 3.27Å; M66-F70 WeakPolarHBondContact O-CG 3.31Å; M66-F70 PolarHBondContact O-N 3.24Å |
| 67 | R | 91.3 | Very high | 91.4 | Very high | 88 Ų | 88 | 103.4 Ų | 103.4 | 33% | 0.332 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.6 | -48.7 | 177.1 | -166.6 | -179.6 | -52 | -63.9 | -8.2 | 111.3 | E62 T63 D64 I65 E69 F70 E71 | E62-R67 IonicContact OE2-CZ 2.7Å; E62-R67 IonicContact OE2-NH1 3.63Å; E62-R67 PolarHBondContact OE2-NH1 3.45Å; E62-R67 IonicContact OE2-NH2 2.79Å; T63-R67 PolarHBondContact O-N 3.27Å; D64-R67 PolarHBondContact O-N 2.84Å; I65-R67 VanDerWaalsContact C-N 3.33Å; I65-R67 PolarHBondContact O-N 2.97Å; R67-E69 VanDerWaalsContact C-N 3.33Å; R67-E69 PolarHBondContact O-N 3.14Å; R67-F70 PolarHBondContact O-N 3.35Å; R67-E71 WeakPolarHBondContact O-CG 3.23Å; R67-E71 PolarHBondContact O-N 3.33Å |
| 68 | N | 91.5 | Very high | 91.5 | Very high | 97 Ų | 97 | 104.6 Ų | 104.6 | 52% | 0.519 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.5 | -40.9 | 176.7 | -69.1 | -12.8 | 0 | 0 | 0 | 112.2 | D64 I65 E71 R72 | D64-N68 VanDerWaalsContact O-CG 3.24Å; D64-N68 PolarHBondContact O-N 2.96Å; D64-N68 PolarHBondContact O-ND2 3.18Å; I65-N68 PolarHBondContact O-N 3.3Å; N68-E71 PolarHBondContact O-N 2.97Å; N68-R72 WeakPolarHBondContact O-CB 3.43Å; N68-R72 PolarHBondContact O-N 3.12Å |
| 69 | E | 91.4 | Very high | 91.8 | Very high | 74 Ų | 74 | 100 Ų | 100 | 35% | 0.346 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67 | -38.5 | 176.3 | -76.5 | -60.5 | 138.3 | 0 | 0 | 112.6 | I65 M66 R67 R72 L73 | I65-E69 WeakPolarHBondContact O-CG 3.33Å; I65-E69 PolarHBondContact O-N 2.97Å; M66-E69 PolarHBondContact O-N 2.89Å; R67-E69 VanDerWaalsContact C-N 3.33Å; R67-E69 PolarHBondContact O-N 3.14Å; E69-R72 PolarHBondContact O-N 3Å; E69-R72 IonicContact OE1-NE 2.75Å; E69-R72 IonicContact OE2-CZ 3.28Å; E69-R72 IonicContact OE2-NE 3.63Å; E69-R72 PolarHBondContact OE2-NE 3.15Å; E69-R72 IonicContact OE2-NH2 3.46Å; E69-R72 PolarHBondContact OE2-NH2 3.19Å; E69-L73 WeakPolarHBondContact O-CB 3.38Å; E69-L73 WeakPolarHBondContact O-CG 3.5Å; E69-L73 PolarHBondContact O-N 3.15Å |
| 70 | F | 91.8 | Very high | 91.7 | Very high | 100 Ų | 100 | 106.6 Ų | 106.6 | 44% | 0.439 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.6 | -40.5 | 174.2 | -68.1 | -39.7 | 0 | 0 | 0 | 112 | E62 M66 R67 L73 A74 | E62-F70 HydrophobicContact CG-CE2 4.08Å; M66-F70 HydrophobicContact CB-CD2 4.49Å; M66-F70 HydrophobicContact CB-CE2 4.14Å; M66-F70 HydrophobicContact CE-CE2 4.28Å; M66-F70 HydrophobicContact CE-CZ 4.26Å; M66-F70 WeakPolarHBondContact O-CD2 3.49Å; M66-F70 VanDerWaalsContact O-CG 3.27Å; M66-F70 WeakPolarHBondContact O-CG 3.31Å; M66-F70 PolarHBondContact O-N 3.24Å; R67-F70 PolarHBondContact O-N 3.35Å; F70-L73 PolarHBondContact O-N 2.7Å; F70-A74 VanDerWaalsContact O-CB 3.32Å; F70-A74 WeakPolarHBondContact O-CB 3.42Å; F70-A74 PolarHBondContact O-N 3.38Å |
| 71 | E | 92.9 | Very high | 91.6 | Very high | 119 Ų | 119 | 110.8 Ų | 110.8 | 56% | 0.556 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -62.2 | -44.5 | 173.2 | -73.5 | 178.3 | -171.7 | 0 | 0 | 111.7 | R67 N68 L73 A74 A75 | R67-E71 WeakPolarHBondContact O-CG 3.23Å; R67-E71 PolarHBondContact O-N 3.33Å; N68-E71 PolarHBondContact O-N 2.97Å; E71-L73 PolarHBondContact O-N 2.87Å; E71-A74 PolarHBondContact O-N 2.88Å; E71-A75 WeakPolarHBondContact O-CB 3.28Å; E71-A75 PolarHBondContact O-N 3.32Å |
| 72 | R | 94.4 | Very high | 91.2 | Very high | 47 Ų | 47 | 107.7 Ų | 107.7 | 18% | 0.177 | 55% | 0.551 | C | S | . | * | H | α-helix | trans | -57.8 | -47.1 | 174.8 | -174.1 | -172.5 | 65.8 | 89.7 | -6.2 | 111.6 | N68 E69 A75 R76 Q77 P78 | N68-R72 WeakPolarHBondContact O-CB 3.43Å; N68-R72 PolarHBondContact O-N 3.12Å; E69-R72 PolarHBondContact O-N 3Å; E69-R72 IonicContact OE1-NE 2.75Å; E69-R72 IonicContact OE2-CZ 3.28Å; E69-R72 IonicContact OE2-NE 3.63Å; E69-R72 PolarHBondContact OE2-NE 3.15Å; E69-R72 IonicContact OE2-NH2 3.46Å; E69-R72 PolarHBondContact OE2-NH2 3.19Å; R72-A75 CarbonylContact O-C 3.51Å; R72-A75 PolarHBondContact O-N 3.2Å; R72-R76 PolarHBondContact O-N 3.46Å; R72-R76 VanDerWaalsContact O-N 3.11Å; R72-Q77 HydrophobicContact CG-CB 3.65Å; R72-Q77 PolarHBondContact NH1-O 3.35Å; R72-Q77 PolarHBondContact O-N 2.71Å; R72-P78 VanDerWaalsContact NH1-C 3.31Å |
| 73 | L | 93.1 | Very high | 90.5 | Very high | 102 Ų | 102 | 108.8 Ų | 108.8 | 53% | 0.534 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64.4 | -42.6 | 177.5 | -74.5 | 173.4 | 0 | 0 | 0 | 112 | E69 F70 E71 A75 R76 | E69-L73 WeakPolarHBondContact O-CB 3.38Å; E69-L73 WeakPolarHBondContact O-CG 3.5Å; E69-L73 PolarHBondContact O-N 3.15Å; F70-L73 PolarHBondContact O-N 2.7Å; E71-L73 PolarHBondContact O-N 2.87Å; L73-A75 VanDerWaalsContact C-N 3.3Å; L73-A75 PolarHBondContact O-N 2.87Å; L73-R76 WeakPolarHBondContact O-CA 3.24Å; L73-R76 PolarHBondContact O-N 2.87Å |
| 74 | A | 93.3 | Very high | 90 | Very high | 87 Ų | 87 | 110.4 Ų | 110.4 | 72% | 0.719 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -62.1 | -39 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | F70 E71 R76 | F70-A74 VanDerWaalsContact O-CB 3.32Å; F70-A74 WeakPolarHBondContact O-CB 3.42Å; F70-A74 PolarHBondContact O-N 3.38Å; E71-A74 PolarHBondContact O-N 2.88Å; A74-R76 PolarHBondContact O-N 3.24Å |
| 75 | A | 95.4 | Very high | 89.1 | Confident | 62 Ų | 62 | 111.7 Ų | 111.7 | 51% | 0.512 | 57% | 0.568 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.9 | -1.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | E71 R72 L73 Q77 | E71-A75 WeakPolarHBondContact O-CB 3.28Å; E71-A75 PolarHBondContact O-N 3.32Å; R72-A75 CarbonylContact O-C 3.51Å; R72-A75 PolarHBondContact O-N 3.2Å; L73-A75 VanDerWaalsContact C-N 3.3Å; L73-A75 PolarHBondContact O-N 2.87Å; A75-Q77 HydrophobicContact CB-CG 3.98Å; A75-Q77 PolarHBondContact O-N 3.41Å |
| 76 | R | 94.3 | Very high | 88.1 | Confident | 223 Ų | 223 | 113.8 Ų | 113.8 | 84% | 0.842 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 53.2 | 31.3 | -176.2 | -58.6 | -178.6 | 176.3 | -178.3 | -1.3 | 113.2 | R72 L73 A74 P78 | R72-R76 PolarHBondContact O-N 3.46Å; R72-R76 VanDerWaalsContact O-N 3.11Å; L73-R76 WeakPolarHBondContact O-CA 3.24Å; L73-R76 PolarHBondContact O-N 2.87Å; A74-R76 PolarHBondContact O-N 3.24Å; R76-P78 WeakPolarHBondContact O-CD 3.38Å |
| 77 | Q | 93.7 | Very high | 87.4 | Confident | 116 Ų | 116 | 116.9 Ų | 116.9 | 54% | 0.542 | 58% | 0.576 | S | S | . | * | P | Polyproline II helix | trans | -78.2 | 124.3 | 178.1 | -72.9 | -176.5 | -9.5 | 0 | 0 | 109.6 | R72 A75 | R72-Q77 HydrophobicContact CG-CB 3.65Å; R72-Q77 PolarHBondContact NH1-O 3.35Å; R72-Q77 PolarHBondContact O-N 2.71Å; A75-Q77 HydrophobicContact CB-CG 3.98Å; A75-Q77 PolarHBondContact O-N 3.41Å |
| 78 | P | 89.9 | Confident | 87 | Confident | 120 Ų | 120 | 117.9 Ų | 117.9 | 78% | 0.779 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 151.4 | 174.1 | -23.6 | 34.1 | 0 | 0 | 0 | 111.5 | R72 R76 | R72-P78 VanDerWaalsContact NH1-C 3.31Å; R76-P78 WeakPolarHBondContact O-CD 3.38Å |
| 79 | I | 90.1 | Very high | 86.6 | Confident | 106 Ų | 106 | 118.4 Ų | 118.4 | 54% | 0.544 | 59% | 0.586 | S | S | . | * | P | Polyproline II helix | trans | -70.6 | 137.1 | 175.6 | -165.1 | 166.5 | 0 | 0 | 0 | 108.4 | L81 | I79-L81 HydrophobicContact CG2-CD2 4.39Å; I79-L81 PolarHBondContact O-N 3.19Å |
| 80 | E | 85.4 | Confident | 86.1 | Confident | 184 Ų | 184 | 117.8 Ų | 117.8 | 86% | 0.86 | 59% | 0.588 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 119.7 | 170.3 | -170.4 | 173.1 | -176.9 | 0 | 0 | 108.2 | ||
| 81 | L | 83.9 | Confident | 85.8 | Confident | 147 Ų | 147 | 116.7 Ų | 116.7 | 77% | 0.77 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -72 | 134.7 | 178.4 | -65.1 | 174.3 | 0 | 0 | 0 | 109.1 | I79 S83 | I79-L81 HydrophobicContact CG2-CD2 4.39Å; I79-L81 PolarHBondContact O-N 3.19Å; L81-S83 PolarHBondContact O-N 2.9Å |
| 82 | L | 81.1 | Confident | 85.5 | Confident | 125 Ų | 125 | 111.6 Ų | 111.6 | 65% | 0.654 | 58% | 0.575 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 122.4 | 173.4 | -165.2 | 89.2 | 0 | 0 | 0 | 109.4 | M84 Y87 | L82-M84 HydrophobicContact CD2-CE 4.28Å; L82-M84 HydrophobicContact CD2-SD 4.22Å; L82-M84 PolarHBondContact O-N 3.39Å; L82-Y87 HydrophobicContact CD2-CE2 4.27Å |
| 83 | S | 77.9 | Confident | 85.2 | Confident | 75 Ų | 75 | 112.3 Ų | 112.3 | 52% | 0.524 | 59% | 0.587 | S | S | . | * | trans | -70.5 | 114.1 | 174.9 | -179.2 | 0 | 0 | 0 | 0 | 110.5 | L81 K85 | L81-S83 PolarHBondContact O-N 2.9Å; S83-K85 VanDerWaalsContact C-N 3.27Å; S83-K85 PolarHBondContact O-N 3.42Å | ||
| 84 | M | 80.3 | Confident | 84.7 | Confident | 113 Ų | 113 | 112.4 Ų | 112.4 | 56% | 0.557 | 60% | 0.597 | S | S | * | * | G | 310 helix | trans | -77.4 | -11.9 | 175.1 | -66.9 | -60.3 | -170.5 | 0 | 0 | 113.4 | L82 R86 Y87 | L82-M84 HydrophobicContact CD2-CE 4.28Å; L82-M84 HydrophobicContact CD2-SD 4.22Å; L82-M84 PolarHBondContact O-N 3.39Å; M84-R86 PolarHBondContact O-N 2.89Å; M84-Y87 PolarHBondContact O-N 2.96Å; M84-Y87 HydrophobicContact SD-CD2 3.99Å; M84-Y87 HydrophobicContact SD-CE2 4.33Å |
| 85 | K | 73.1 | Confident | 84.4 | Confident | 149 Ų | 149 | 112 Ų | 112 | 65% | 0.648 | 60% | 0.601 | S | S | * | * | G | 310 helix | trans | -56.6 | -27.8 | -180 | -67.9 | -174.9 | 176.4 | -178.6 | 0 | 113.1 | S83 Y87 E88 | S83-K85 VanDerWaalsContact C-N 3.27Å; S83-K85 PolarHBondContact O-N 3.42Å; K85-Y87 PolarHBondContact O-N 3Å; K85-E88 PolarHBondContact O-N 3.39Å |
| 86 | R | 72.9 | Confident | 84 | Confident | 173 Ų | 173 | 113.2 Ų | 113.2 | 65% | 0.653 | 60% | 0.596 | S | S | * | * | G | 310 helix | trans | -64.7 | -25.3 | 176.4 | -176.3 | -180 | -70 | -165.5 | 0.1 | 113 | M84 N109 Q113 | M84-R86 PolarHBondContact O-N 2.89Å; R86-N109 PolarHBondContact O-OD1 3.35Å; R86-Q113 PolarHBondContact O-NE2 3.01Å |
| 87 | Y | 78.8 | Confident | 83.6 | Confident | 148 Ų | 148 | 108.2 Ų | 108.2 | 58% | 0.58 | 58% | 0.58 | S | S | * | * | G | 310 helix | trans | -99.2 | 1.4 | -179.3 | -55.4 | -68.6 | 0 | 0 | 0 | 113.1 | L82 M84 K85 | L82-Y87 HydrophobicContact CD2-CE2 4.27Å; M84-Y87 PolarHBondContact O-N 2.96Å; M84-Y87 HydrophobicContact SD-CD2 3.99Å; M84-Y87 HydrophobicContact SD-CE2 4.33Å; K85-Y87 PolarHBondContact O-N 3Å |
| 88 | E | 81.7 | Confident | 83.3 | Confident | 108 Ų | 108 | 110.5 Ų | 110.5 | 51% | 0.505 | 60% | 0.596 | S | S | . | * | S | Bend | trans | -107 | 158.8 | 176.3 | -64.3 | 173.8 | -177.6 | 0 | 0 | 109.4 | K85 P90 N109 Q113 | K85-E88 PolarHBondContact O-N 3.39Å; E88-P90 WeakPolarHBondContact O-CD 3.43Å; E88-N109 PolarHBondContact O-ND2 3.35Å; E88-Q113 PolarHBondContact O-NE2 3.29Å |
| 89 | L | 82.8 | Confident | 83.4 | Confident | 108 Ų | 108 | 107.8 Ų | 107.8 | 57% | 0.565 | 58% | 0.575 | S | S | * | * | trans | -110.1 | 62.2 | 173 | -67.2 | 164.6 | 0 | 0 | 0 | 110.1 | S110 Q113 | L89-S110 WeakPolarHBondContact CD2-OG 3.33Å; L89-Q113 HydrophobicContact CD2-CB 4.47Å; L89-Q113 VanDerWaalsContact CD2-OE1 3.3Å | ||
| 90 | P | 82.6 | Confident | 83.5 | Confident | 61 Ų | 61 | 109.1 Ų | 109.1 | 40% | 0.396 | 58% | 0.582 | S | S | . | * | P | Polyproline II helix | trans | -69.9 | 137.2 | 179.8 | 31.1 | -34.3 | 0 | 0 | 0 | 109.7 | E88 C106 | E88-P90 WeakPolarHBondContact O-CD 3.43Å; P90-C106 PolarHBondContact O-SG 3.38Å |
| 91 | A | 84.3 | Confident | 83.8 | Confident | 78 Ų | 78 | 104.2 Ų | 104.2 | 65% | 0.645 | 57% | 0.565 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 158.9 | 164.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | S93 | A91-S93 PolarHBondContact O-N 2.96Š|
| 92 | P | 86.7 | Confident | 84 | Confident | 11 Ų | 11 | 97.5 Ų | 97.5 | 7% | 0.071 | 53% | 0.531 | C | S | . | . | P | Polyproline II helix | trans | -54.6 | 143 | 171.8 | -24.4 | 34.6 | 0 | 0 | 0 | 110.8 | Q96 A102 W103 C106 | P92-Q96 HydrophobicContact CB-CB 4.22Å; P92-A102 HydrophobicContact CB-CB 4.18Å; P92-W103 HydrophobicContact CG-CD2 3.6Å; P92-W103 HydrophobicContact CG-CE3 3.8Å; P92-W103 HydrophobicContact CG-CG 4.01Å; P92-W103 HydrophobicContact CG-CH2 4.33Å; P92-W103 HydrophobicContact CG-CZ2 4.15Å; P92-W103 HydrophobicContact CG-CZ3 4.16Å; P92-C106 VanDerWaalsContact CD-SG 3.54Å |
| 93 | S | 87.5 | Confident | 84.4 | Confident | 62 Ų | 62 | 97.2 Ų | 97.2 | 43% | 0.434 | 52% | 0.521 | S | S | . | . | P | Polyproline II helix | trans | -59.2 | 156.3 | 178.4 | 70.6 | 0 | 0 | 0 | 0 | 111.1 | A91 G95 Q96 K97 | A91-S93 PolarHBondContact O-N 2.96Å; S93-G95 PolarHBondContact O-N 3.28Å; S93-Q96 PolarHBondContact O-N 2.85Å; S93-Q96 VanDerWaalsContact OG-CD 3.3Å; S93-Q96 WeakPolarHBondContact OG-CG 3.24Å; S93-Q96 PolarHBondContact OG-OE1 3.2Å; S93-K97 PolarHBondContact O-N 2.89Å |
| 94 | S | 83.9 | Confident | 85.1 | Confident | 105 Ų | 105 | 99.1 Ų | 99.1 | 73% | 0.734 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | -29.4 | -175.9 | -62.1 | 0 | 0 | 0 | 0 | 114.2 | ||
| 95 | G | 85.6 | Confident | 85.5 | Confident | 78 Ų | 78 | 100.2 Ų | 100.2 | 80% | 0.804 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -13.3 | 176 | 0 | 0 | 0 | 0 | 0 | 115.2 | S93 | S93-G95 PolarHBondContact O-N 3.28Š|
| 96 | Q | 87.8 | Confident | 86.2 | Confident | 88 Ų | 88 | 94.4 Ų | 94.4 | 41% | 0.411 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | 5.5 | -176.7 | -68.5 | 173.5 | -53.2 | 0 | 0 | 113 | P92 S93 N98 D99 A102 | P92-Q96 HydrophobicContact CB-CB 4.22Å; S93-Q96 PolarHBondContact O-N 2.85Å; S93-Q96 VanDerWaalsContact OG-CD 3.3Å; S93-Q96 WeakPolarHBondContact OG-CG 3.24Å; S93-Q96 PolarHBondContact OG-OE1 3.2Å; Q96-N98 PolarHBondContact O-N 3.11Å; Q96-D99 HydrophobicContact CB-CB 4.48Å; Q96-D99 WeakPolarHBondContact O-CB 3.28Å; Q96-D99 PolarHBondContact O-N 3.46Å; Q96-A102 HydrophobicContact CB-CB 3.9Å |
| 97 | K | 85.1 | Confident | 87 | Confident | 117 Ų | 117 | 89.4 Ų | 89.4 | 51% | 0.509 | 49% | 0.492 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -22.6 | -177.4 | -70.9 | -174.7 | 175.3 | -178.9 | 0 | 114.5 | S93 W103 | S93-K97 PolarHBondContact O-N 2.89Å; K97-W103 PolarHBondContact O-NE1 3.42Å |
| 98 | N | 88.6 | Confident | 87.6 | Confident | 164 Ų | 164 | 86.5 Ų | 86.5 | 88% | 0.877 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | -2.4 | 175.6 | -62.3 | -20.1 | 0 | 0 | 0 | 112.4 | Q96 | Q96-N98 PolarHBondContact O-N 3.11Š|
| 99 | D | 91.6 | Very high | 88 | Confident | 63 Ų | 63 | 83.1 Ų | 83.1 | 34% | 0.337 | 47% | 0.471 | S | S | . | . | trans | -90.3 | 111.3 | 179.5 | -178.5 | 2.4 | 0 | 0 | 0 | 110 | Q96 T101 A102 W103 | Q96-D99 HydrophobicContact CB-CB 4.48Å; Q96-D99 WeakPolarHBondContact O-CB 3.28Å; Q96-D99 PolarHBondContact O-N 3.46Å; D99-T101 PolarHBondContact O-N 2.86Å; D99-T101 WeakPolarHBondContact OD1-CB 3.45Å; D99-T101 PolarHBondContact OD1-N 3.48Å; D99-T101 PolarHBondContact OD1-OG1 2.71Å; D99-T101 PolarHBondContact OD2-OG1 3Å; D99-T101 VanDerWaalsContact OD2-OG1 3.1Å; D99-A102 HydrophobicContact CB-CB 4.14Å; D99-A102 PolarHBondContact O-N 3.23Å; D99-W103 VanDerWaalsContact O-CD1 3.26Å; D99-W103 PolarHBondContact O-N 3.47Å | ||
| 100 | I | 91.8 | Very high | 88.3 | Confident | 134 Ų | 134 | 80.5 Ų | 80.5 | 69% | 0.687 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -61.5 | -33.6 | -179.5 | -61.4 | 170.6 | 0 | 0 | 0 | 110.8 | W103 Q104 | I100-W103 PolarHBondContact O-N 3.45Å; I100-Q104 WeakPolarHBondContact O-CB 3.33Å; I100-Q104 PolarHBondContact O-N 3.43Å |
| 101 | T | 91.6 | Very high | 88.8 | Confident | 82 Ų | 82 | 82.9 Ų | 82.9 | 50% | 0.503 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -68.6 | -42.5 | -177.8 | 65.7 | 0 | 0 | 0 | 0 | 111.4 | D99 W103 Q104 E105 | D99-T101 PolarHBondContact O-N 2.86Å; D99-T101 WeakPolarHBondContact OD1-CB 3.45Å; D99-T101 PolarHBondContact OD1-N 3.48Å; D99-T101 PolarHBondContact OD1-OG1 2.71Å; D99-T101 PolarHBondContact OD2-OG1 3Å; D99-T101 VanDerWaalsContact OD2-OG1 3.1Å; T101-W103 VanDerWaalsContact C-N 3.32Å; T101-W103 PolarHBondContact O-N 3.43Å; T101-Q104 PolarHBondContact O-N 3.31Å; T101-Q104 VanDerWaalsContact O-N 3.11Å; T101-E105 WeakPolarHBondContact O-CG 3.34Å; T101-E105 PolarHBondContact O-N 3.09Å |
| 102 | A | 88.4 | Confident | 89.1 | Confident | 6 Ų | 6 | 81.3 Ų | 81.3 | 5% | 0.05 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -61.3 | -38.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | P92 Q96 D99 C106 | P92-A102 HydrophobicContact CB-CB 4.18Å; Q96-A102 HydrophobicContact CB-CB 3.9Å; D99-A102 HydrophobicContact CB-CB 4.14Å; D99-A102 PolarHBondContact O-N 3.23Å; A102-C106 PolarHBondContact O-N 3.01Å; A102-C106 VanDerWaalsContact O-N 3.15Å; A102-C106 PolarHBondContact O-SG 2.89Å; A102-C106 VanDerWaalsContact O-SG 3.39Å |
| 103 | W | 89.5 | Confident | 89.2 | Confident | 118 Ų | 118 | 82 Ų | 82 | 45% | 0.447 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -66.7 | -40.9 | 172.7 | -78 | 105.3 | 0 | 0 | 0 | 112.6 | P92 K97 D99 I100 T101 E105 C106 V107 | P92-W103 HydrophobicContact CG-CD2 3.6Å; P92-W103 HydrophobicContact CG-CE3 3.8Å; P92-W103 HydrophobicContact CG-CG 4.01Å; P92-W103 HydrophobicContact CG-CH2 4.33Å; P92-W103 HydrophobicContact CG-CZ2 4.15Å; P92-W103 HydrophobicContact CG-CZ3 4.16Å; K97-W103 PolarHBondContact O-NE1 3.42Å; D99-W103 VanDerWaalsContact O-CD1 3.26Å; D99-W103 PolarHBondContact O-N 3.47Å; I100-W103 PolarHBondContact O-N 3.45Å; T101-W103 VanDerWaalsContact C-N 3.32Å; T101-W103 PolarHBondContact O-N 3.43Å; W103-E105 VanDerWaalsContact C-N 3.33Å; W103-E105 PolarHBondContact O-N 2.96Å; W103-C106 PolarHBondContact O-N 2.92Å; W103-V107 WeakPolarHBondContact O-CB 3.24Å; W103-V107 VanDerWaalsContact O-CG2 3.3Å; W103-V107 WeakPolarHBondContact O-CG2 3.45Å; W103-V107 PolarHBondContact O-N 2.93Å |
| 104 | Q | 91.7 | Very high | 89.4 | Confident | 116 Ų | 116 | 84.7 Ų | 84.7 | 54% | 0.542 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -64.9 | -37.7 | 178.3 | -169.6 | 159.8 | 4.2 | 0 | 0 | 111.7 | I100 T101 V107 N108 | I100-Q104 WeakPolarHBondContact O-CB 3.33Å; I100-Q104 PolarHBondContact O-N 3.43Å; T101-Q104 PolarHBondContact O-N 3.31Å; T101-Q104 VanDerWaalsContact O-N 3.11Å; Q104-V107 PolarHBondContact O-N 3.48Å; Q104-N108 WeakPolarHBondContact O-CB 3.44Å; Q104-N108 PolarHBondContact O-N 2.84Å; Q104-N108 PolarHBondContact O-ND2 3.47Å |
| 105 | E | 88.6 | Confident | 89.9 | Confident | 136 Ų | 136 | 85.7 Ų | 85.7 | 64% | 0.636 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -61.9 | -47 | 172 | -72.4 | 180 | 174.9 | 0 | 0 | 112.4 | T101 W103 V107 N108 N109 | T101-E105 WeakPolarHBondContact O-CG 3.34Å; T101-E105 PolarHBondContact O-N 3.09Å; W103-E105 VanDerWaalsContact C-N 3.33Å; W103-E105 PolarHBondContact O-N 2.96Å; E105-V107 VanDerWaalsContact C-N 3.32Å; E105-V107 PolarHBondContact O-N 3.22Å; E105-N108 PolarHBondContact O-N 3.43Å; E105-N109 WeakPolarHBondContact O-CB 3.28Å; E105-N109 PolarHBondContact O-N 3.32Å |
| 106 | C | 88.7 | Confident | 90.2 | Very high | 26 Ų | 26 | 88 Ų | 88 | 18% | 0.176 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -60.2 | -41.6 | 176.1 | -72.8 | 0 | 0 | 0 | 0 | 112.1 | P90 P92 A102 W103 S110 | P90-C106 PolarHBondContact O-SG 3.38Å; P92-C106 VanDerWaalsContact CD-SG 3.54Å; A102-C106 PolarHBondContact O-N 3.01Å; A102-C106 VanDerWaalsContact O-N 3.15Å; A102-C106 PolarHBondContact O-SG 2.89Å; A102-C106 VanDerWaalsContact O-SG 3.39Å; W103-C106 PolarHBondContact O-N 2.92Å; C106-S110 WeakPolarHBondContact O-CB 3.49Å; C106-S110 PolarHBondContact O-N 3.26Å; C106-S110 PolarHBondContact O-OG 3.05Å |
| 107 | V | 90.6 | Very high | 90.5 | Very high | 69 Ų | 69 | 88.4 Ų | 88.4 | 42% | 0.418 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -67.3 | -45.2 | 178.2 | 168.4 | 0 | 0 | 0 | 0 | 111.1 | W103 Q104 E105 N109 S110 M111 | W103-V107 WeakPolarHBondContact O-CB 3.24Å; W103-V107 VanDerWaalsContact O-CG2 3.3Å; W103-V107 WeakPolarHBondContact O-CG2 3.45Å; W103-V107 PolarHBondContact O-N 2.93Å; Q104-V107 PolarHBondContact O-N 3.48Å; E105-V107 VanDerWaalsContact C-N 3.32Å; E105-V107 PolarHBondContact O-N 3.22Å; V107-N109 PolarHBondContact O-N 3.08Å; V107-S110 WeakPolarHBondContact O-CB 3.39Å; V107-S110 PolarHBondContact O-N 3.26Å; V107-S110 VanDerWaalsContact O-N 3.17Å; V107-M111 HydrophobicContact CG1-CE 3.3Å; V107-M111 WeakPolarHBondContact O-CG 3.41Å; V107-M111 PolarHBondContact O-N 2.88Å |
| 108 | N | 90.7 | Very high | 91 | Very high | 87 Ų | 87 | 85.2 Ų | 85.2 | 47% | 0.465 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -60.6 | -43.5 | 175.5 | -71.1 | -16.2 | 0 | 0 | 0 | 111.9 | Q104 E105 S110 M111 A112 | Q104-N108 WeakPolarHBondContact O-CB 3.44Å; Q104-N108 PolarHBondContact O-N 2.84Å; Q104-N108 PolarHBondContact O-ND2 3.47Å; E105-N108 PolarHBondContact O-N 3.43Å; N108-S110 VanDerWaalsContact C-N 3.32Å; N108-S110 PolarHBondContact O-N 3.42Å; N108-M111 PolarHBondContact O-N 2.93Å; N108-A112 WeakPolarHBondContact O-CB 3.36Å; N108-A112 PolarHBondContact O-N 3.36Å |
| 109 | N | 89.6 | Confident | 91.4 | Very high | 36 Ų | 36 | 80.6 Ų | 80.6 | 19% | 0.193 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -62.6 | -39.6 | 175.3 | -176.7 | 58.2 | 0 | 0 | 0 | 111.6 | R86 E88 E105 V107 A112 Q113 | R86-N109 PolarHBondContact O-OD1 3.35Å; E88-N109 PolarHBondContact O-ND2 3.35Å; E105-N109 WeakPolarHBondContact O-CB 3.28Å; E105-N109 PolarHBondContact O-N 3.32Å; V107-N109 PolarHBondContact O-N 3.08Å; N109-A112 PolarHBondContact O-N 3.43Å; N109-Q113 PolarHBondContact ND2-NE2 3.22Å; N109-Q113 WeakPolarHBondContact O-CG 3.36Å; N109-Q113 PolarHBondContact O-N 2.96Å |
| 110 | S | 90.1 | Very high | 91.6 | Very high | 54 Ų | 54 | 84.8 Ų | 84.8 | 38% | 0.378 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -64.6 | -43.1 | 176.5 | -55.4 | 0 | 0 | 0 | 0 | 112.2 | L89 C106 V107 N108 Q113 L114 | L89-S110 WeakPolarHBondContact CD2-OG 3.33Å; C106-S110 WeakPolarHBondContact O-CB 3.49Å; C106-S110 PolarHBondContact O-N 3.26Å; C106-S110 PolarHBondContact O-OG 3.05Å; V107-S110 WeakPolarHBondContact O-CB 3.39Å; V107-S110 PolarHBondContact O-N 3.26Å; V107-S110 VanDerWaalsContact O-N 3.17Å; N108-S110 VanDerWaalsContact C-N 3.32Å; N108-S110 PolarHBondContact O-N 3.42Å; S110-Q113 PolarHBondContact O-N 2.92Å; S110-L114 PolarHBondContact O-N 3.37Å |
| 111 | M | 91.5 | Very high | 91.9 | Very high | 111 Ų | 111 | 83 Ų | 83 | 55% | 0.547 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -62.6 | -46.4 | 174.6 | -67.5 | -167.8 | -140.8 | 0 | 0 | 111.3 | V107 N108 Q113 L114 E115 | V107-M111 HydrophobicContact CG1-CE 3.3Å; V107-M111 WeakPolarHBondContact O-CG 3.41Å; V107-M111 PolarHBondContact O-N 2.88Å; N108-M111 PolarHBondContact O-N 2.93Å; M111-Q113 VanDerWaalsContact C-N 3.29Å; M111-Q113 PolarHBondContact O-N 2.86Å; M111-L114 WeakPolarHBondContact O-CB 3.5Å; M111-L114 PolarHBondContact O-N 3.5Å; M111-E115 PolarHBondContact O-N 3.44Å; M111-E115 VanDerWaalsContact O-N 3.12Å |
| 112 | A | 90.6 | Very high | 92.2 | Very high | 45 Ų | 45 | 84.7 Ų | 84.7 | 37% | 0.372 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -59 | -41.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | N108 N109 E115 H116 | N108-A112 WeakPolarHBondContact O-CB 3.36Å; N108-A112 PolarHBondContact O-N 3.36Å; N109-A112 PolarHBondContact O-N 3.43Å; A112-E115 PolarHBondContact O-N 2.95Å; A112-H116 PolarHBondContact O-CD2 2.86Å; A112-H116 PolarHBondContact O-N 3.25Å |
| 113 | Q | 90.3 | Very high | 92.6 | Very high | 25 Ų | 25 | 88.6 Ų | 88.6 | 12% | 0.117 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -67.5 | -38 | 176.7 | -76.6 | -171.7 | 21.3 | 0 | 0 | 113.3 | R86 E88 L89 N109 S110 M111 E115 H116 Q117 | R86-Q113 PolarHBondContact O-NE2 3.01Å; E88-Q113 PolarHBondContact O-NE2 3.29Å; L89-Q113 HydrophobicContact CD2-CB 4.47Å; L89-Q113 VanDerWaalsContact CD2-OE1 3.3Å; N109-Q113 PolarHBondContact ND2-NE2 3.22Å; N109-Q113 WeakPolarHBondContact O-CG 3.36Å; N109-Q113 PolarHBondContact O-N 2.96Å; S110-Q113 PolarHBondContact O-N 2.92Å; M111-Q113 VanDerWaalsContact C-N 3.29Å; M111-Q113 PolarHBondContact O-N 2.86Å; Q113-E115 VanDerWaalsContact C-N 3.33Å; Q113-E115 PolarHBondContact O-N 3.38Å; Q113-H116 PolarHBondContact O-N 2.95Å; Q113-Q117 WeakPolarHBondContact O-CG 3.43Å; Q113-Q117 PolarHBondContact O-N 2.95Å |
| 114 | L | 92.1 | Very high | 93 | Very high | 119 Ų | 119 | 86.9 Ų | 86.9 | 62% | 0.623 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -58.4 | -48.1 | 175.4 | -179.4 | 64.4 | 0 | 0 | 0 | 110.8 | S110 M111 H116 Q117 A118 | S110-L114 PolarHBondContact O-N 3.37Å; M111-L114 WeakPolarHBondContact O-CB 3.5Å; M111-L114 PolarHBondContact O-N 3.5Å; L114-H116 PolarHBondContact O-N 3.39Å; L114-Q117 PolarHBondContact O-N 3.5Å; L114-A118 PolarHBondContact O-N 2.82Å |
| 115 | E | 93.6 | Very high | 93.3 | Very high | 125 Ų | 125 | 86.6 Ų | 86.6 | 58% | 0.584 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -63.1 | -42 | 176.8 | -64.3 | -56.4 | 149.4 | 0 | 0 | 111.7 | M111 A112 Q113 Q117 A118 V119 | M111-E115 PolarHBondContact O-N 3.44Å; M111-E115 VanDerWaalsContact O-N 3.12Å; A112-E115 PolarHBondContact O-N 2.95Å; Q113-E115 VanDerWaalsContact C-N 3.33Å; Q113-E115 PolarHBondContact O-N 3.38Å; E115-Q117 VanDerWaalsContact C-N 3.3Å; E115-Q117 PolarHBondContact O-N 3.38Å; E115-A118 WeakPolarHBondContact O-CB 3.37Å; E115-A118 PolarHBondContact O-N 2.93Å; E115-V119 WeakPolarHBondContact O-CG2 3.34Å; E115-V119 PolarHBondContact O-N 3.48Å |
| 116 | H | 92.4 | Very high | 93.7 | Very high | 127 Ų | 127 | 84.1 Ų | 84.1 | 59% | 0.588 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -60.7 | -36.4 | 174.3 | -80.3 | -57.1 | 0 | 0 | 0 | 113 | A112 Q113 L114 R120 | A112-H116 PolarHBondContact O-CD2 2.86Å; A112-H116 PolarHBondContact O-N 3.25Å; Q113-H116 PolarHBondContact O-N 2.95Å; L114-H116 PolarHBondContact O-N 3.39Å; H116-R120 VanDerWaalsContact O-CB 3.25Å; H116-R120 WeakPolarHBondContact O-CB 2.96Å; H116-R120 PolarHBondContact O-N 3.23Å |
| 117 | Q | 92.8 | Very high | 94.2 | Very high | 96 Ų | 96 | 88.5 Ų | 88.5 | 45% | 0.449 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -69.7 | -39.4 | 175 | -67.4 | -62 | -18.8 | 0 | 0 | 111.7 | Q113 L114 E115 R120 I121 | Q113-Q117 WeakPolarHBondContact O-CG 3.43Å; Q113-Q117 PolarHBondContact O-N 2.95Å; L114-Q117 PolarHBondContact O-N 3.5Å; E115-Q117 VanDerWaalsContact C-N 3.3Å; E115-Q117 PolarHBondContact O-N 3.38Å; Q117-R120 WeakPolarHBondContact O-CB 3.07Å; Q117-R120 PolarHBondContact O-N 3.36Å; Q117-I121 WeakPolarHBondContact O-CG1 3.41Å; Q117-I121 PolarHBondContact O-N 3.34Å |
| 118 | A | 96 | Very high | 94.5 | Very high | 50 Ų | 50 | 90 Ų | 90 | 41% | 0.413 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -59.6 | -49.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | L114 E115 R120 I121 E122 | L114-A118 PolarHBondContact O-N 2.82Å; E115-A118 WeakPolarHBondContact O-CB 3.37Å; E115-A118 PolarHBondContact O-N 2.93Å; A118-R120 VanDerWaalsContact C-N 3.3Å; A118-R120 PolarHBondContact O-N 3.29Å; A118-I121 PolarHBondContact O-N 3.02Å; A118-I121 VanDerWaalsContact O-N 3.17Å; A118-E122 PolarHBondContact O-N 3.03Å; A118-E122 VanDerWaalsContact O-N 3.09Å |
| 119 | V | 96.9 | Very high | 94.8 | Very high | 68 Ų | 68 | 91.7 Ų | 91.7 | 41% | 0.412 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.1 | -37.3 | 175.6 | 172.8 | 0 | 0 | 0 | 0 | 111.7 | E115 I121 E122 N123 | E115-V119 WeakPolarHBondContact O-CG2 3.34Å; E115-V119 PolarHBondContact O-N 3.48Å; V119-I121 VanDerWaalsContact C-N 3.35Å; V119-E122 PolarHBondContact O-N 2.95Å; V119-N123 WeakPolarHBondContact O-CB 3.45Å; V119-N123 VanDerWaalsContact O-CG 3.32Å; V119-N123 PolarHBondContact O-N 3.08Å; V119-N123 PolarHBondContact O-ND2 3.27Å |
| 120 | R | 96.4 | Very high | 95.1 | Very high | 151 Ų | 151 | 95.3 Ų | 95.3 | 57% | 0.57 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.6 | -42.1 | 175.9 | 179.8 | 178.7 | -180 | 160.6 | 0.2 | 111.6 | H116 Q117 A118 N123 L124 | H116-R120 VanDerWaalsContact O-CB 3.25Å; H116-R120 WeakPolarHBondContact O-CB 2.96Å; H116-R120 PolarHBondContact O-N 3.23Å; Q117-R120 WeakPolarHBondContact O-CB 3.07Å; Q117-R120 PolarHBondContact O-N 3.36Å; A118-R120 VanDerWaalsContact C-N 3.3Å; A118-R120 PolarHBondContact O-N 3.29Å; R120-N123 PolarHBondContact O-N 3.32Å; R120-L124 HydrophobicContact CG-CD1 4.09Å; R120-L124 HydrophobicContact CG-CG 4.4Å; R120-L124 WeakPolarHBondContact O-CB 3.42Å; R120-L124 VanDerWaalsContact O-CG 3.24Å; R120-L124 WeakPolarHBondContact O-CG 3.48Å; R120-L124 PolarHBondContact O-N 3.11Å |
| 121 | I | 97.8 | Very high | 95.5 | Very high | 96 Ų | 96 | 93.9 Ų | 93.9 | 49% | 0.492 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.1 | -48.8 | 176.9 | -68.6 | 164.6 | 0 | 0 | 0 | 109.6 | Q117 A118 V119 N123 L124 E125 | Q117-I121 WeakPolarHBondContact O-CG1 3.41Å; Q117-I121 PolarHBondContact O-N 3.34Å; A118-I121 PolarHBondContact O-N 3.02Å; A118-I121 VanDerWaalsContact O-N 3.17Å; V119-I121 VanDerWaalsContact C-N 3.35Å; I121-N123 VanDerWaalsContact C-N 3.34Å; I121-N123 PolarHBondContact O-N 2.63Å; I121-L124 PolarHBondContact O-N 3.19Å; I121-L124 VanDerWaalsContact O-N 3.09Å; I121-E125 HydrophobicContact CG2-CG 4.45Å; I121-E125 WeakPolarHBondContact O-CG 3.44Å; I121-E125 PolarHBondContact O-N 3.05Å |
| 122 | E | 97.7 | Very high | 95.7 | Very high | 117 Ų | 117 | 93.1 Ų | 93.1 | 55% | 0.547 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -56.7 | -45.9 | 176.8 | -174.1 | -179.9 | -175.3 | 0 | 0 | 112 | A118 V119 L124 E125 L126 | A118-E122 PolarHBondContact O-N 3.03Å; A118-E122 VanDerWaalsContact O-N 3.09Å; V119-E122 PolarHBondContact O-N 2.95Å; E122-L124 VanDerWaalsContact C-N 3.35Å; E122-L124 PolarHBondContact O-N 3.38Å; E122-E125 PolarHBondContact O-N 3.28Å; E122-L126 WeakPolarHBondContact O-CG 3.4Å; E122-L126 PolarHBondContact O-N 3.26Å |
| 123 | N | 97.8 | Very high | 96 | Very high | 89 Ų | 89 | 95.7 Ų | 95.7 | 48% | 0.476 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.2 | -38.4 | 176.2 | -75.7 | -32 | 0 | 0 | 0 | 112.8 | V119 R120 I121 L126 M127 | V119-N123 WeakPolarHBondContact O-CB 3.45Å; V119-N123 VanDerWaalsContact O-CG 3.32Å; V119-N123 PolarHBondContact O-N 3.08Å; V119-N123 PolarHBondContact O-ND2 3.27Å; R120-N123 PolarHBondContact O-N 3.32Å; I121-N123 VanDerWaalsContact C-N 3.34Å; I121-N123 PolarHBondContact O-N 2.63Å; N123-L126 PolarHBondContact O-N 2.87Å; N123-M127 VanDerWaalsContact O-CB 3.32Å; N123-M127 WeakPolarHBondContact O-CB 3.3Å; N123-M127 PolarHBondContact O-N 3.45Å |
| 124 | L | 97.9 | Very high | 96.4 | Very high | 81 Ų | 81 | 97.5 Ų | 97.5 | 42% | 0.424 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68.7 | -36.1 | 176.4 | -74.3 | 174.3 | 0 | 0 | 0 | 111.6 | R120 I121 E122 M127 S128 | R120-L124 HydrophobicContact CG-CD1 4.09Å; R120-L124 HydrophobicContact CG-CG 4.4Å; R120-L124 WeakPolarHBondContact O-CB 3.42Å; R120-L124 VanDerWaalsContact O-CG 3.24Å; R120-L124 WeakPolarHBondContact O-CG 3.48Å; R120-L124 PolarHBondContact O-N 3.11Å; I121-L124 PolarHBondContact O-N 3.19Å; I121-L124 VanDerWaalsContact O-N 3.09Å; E122-L124 VanDerWaalsContact C-N 3.35Å; E122-L124 PolarHBondContact O-N 3.38Å; L124-M127 HydrophobicContact CD2-CE 3.61Å; L124-M127 PolarHBondContact O-N 2.89Å; L124-S128 VanDerWaalsContact O-CB 3.27Å; L124-S128 WeakPolarHBondContact O-CB 3.44Å; L124-S128 PolarHBondContact O-N 3.34Å |
| 125 | E | 97.6 | Very high | 96.7 | Very high | 111 Ų | 111 | 99.4 Ų | 99.4 | 52% | 0.519 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.9 | -47 | 173.4 | -72.3 | 177 | 175.3 | 0 | 0 | 110.8 | I121 E122 M127 S128 Q129 | I121-E125 HydrophobicContact CG2-CG 4.45Å; I121-E125 WeakPolarHBondContact O-CG 3.44Å; I121-E125 PolarHBondContact O-N 3.05Å; E122-E125 PolarHBondContact O-N 3.28Å; E125-M127 PolarHBondContact O-N 3.36Å; E125-S128 PolarHBondContact O-N 2.86Å; E125-Q129 VanDerWaalsContact O-CG 3.27Å; E125-Q129 WeakPolarHBondContact O-CG 3.37Å; E125-Q129 PolarHBondContact O-N 3.49Å |
| 126 | L | 97.7 | Very high | 96.9 | Very high | 84 Ų | 84 | 99.5 Ų | 99.5 | 44% | 0.44 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.7 | -44.9 | 174.3 | -72.5 | 173.2 | 0 | 0 | 0 | 112 | E122 N123 S128 Q129 H130 | E122-L126 WeakPolarHBondContact O-CG 3.4Å; E122-L126 PolarHBondContact O-N 3.26Å; N123-L126 PolarHBondContact O-N 2.87Å; L126-S128 VanDerWaalsContact C-N 3.35Å; L126-S128 PolarHBondContact O-N 3.45Å; L126-Q129 PolarHBondContact O-N 3.41Å; L126-H130 PolarHBondContact O-N 2.92Å |
| 127 | M | 97.3 | Very high | 97.1 | Very high | 117 Ų | 117 | 97.2 Ų | 97.2 | 58% | 0.576 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.6 | -39.4 | 177.3 | -173.4 | -179 | 72.2 | 0 | 0 | 111.6 | N123 L124 E125 Q129 G131 | N123-M127 VanDerWaalsContact O-CB 3.32Å; N123-M127 WeakPolarHBondContact O-CB 3.3Å; N123-M127 PolarHBondContact O-N 3.45Å; L124-M127 HydrophobicContact CD2-CE 3.61Å; L124-M127 PolarHBondContact O-N 2.89Å; E125-M127 PolarHBondContact O-N 3.36Å; M127-Q129 VanDerWaalsContact C-N 3.28Å; M127-Q129 PolarHBondContact O-N 3.45Å; M127-G131 VanDerWaalsContact O-CA 3.23Å; M127-G131 WeakPolarHBondContact O-CA 3.26Å; M127-G131 PolarHBondContact O-N 3.28Å |
| 128 | S | 96.9 | Very high | 97.4 | Very high | 101 Ų | 101 | 98 Ų | 98 | 71% | 0.706 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.1 | -35.5 | 176.1 | -173 | 0 | 0 | 0 | 0 | 111.8 | L124 E125 L126 | L124-S128 VanDerWaalsContact O-CB 3.27Å; L124-S128 WeakPolarHBondContact O-CB 3.44Å; L124-S128 PolarHBondContact O-N 3.34Å; E125-S128 PolarHBondContact O-N 2.86Å; L126-S128 VanDerWaalsContact C-N 3.35Å; L126-S128 PolarHBondContact O-N 3.45Å |
| 129 | Q | 97 | Very high | 97.5 | Very high | 123 Ų | 123 | 98.6 Ų | 98.6 | 58% | 0.575 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -77.1 | -41.5 | -179.9 | -70 | 174.6 | 36.7 | 0 | 0 | 112.7 | E125 L126 M127 | E125-Q129 VanDerWaalsContact O-CG 3.27Å; E125-Q129 WeakPolarHBondContact O-CG 3.37Å; E125-Q129 PolarHBondContact O-N 3.49Å; L126-Q129 PolarHBondContact O-N 3.41Å; M127-Q129 VanDerWaalsContact C-N 3.28Å; M127-Q129 PolarHBondContact O-N 3.45Å |
| 130 | H | 97.4 | Very high | 97.6 | Very high | 111 Ų | 111 | 100.9 Ų | 100.9 | 51% | 0.514 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -117.7 | -20.1 | -167.8 | -59.5 | -59.9 | 0 | 0 | 0 | 115.1 | L126 C132 N133 A134 | L126-H130 PolarHBondContact O-N 2.92Å; H130-C132 PolarHBondContact O-N 2.97Å; H130-N133 PolarHBondContact O-N 3.47Å; H130-N133 VanDerWaalsContact O-N 3.15Å; H130-A134 WeakPolarHBondContact O-CB 3.26Å; H130-A134 PolarHBondContact O-N 2.75Å |
| 131 | G | 97.2 | Very high | 97.7 | Very high | 25 Ų | 25 | 98 Ų | 98 | 26% | 0.258 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.3 | -45.3 | -170.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | M127 N133 A134 W135 | M127-G131 VanDerWaalsContact O-CA 3.23Å; M127-G131 WeakPolarHBondContact O-CA 3.26Å; M127-G131 PolarHBondContact O-N 3.28Å; G131-N133 VanDerWaalsContact C-N 3.34Å; G131-N133 PolarHBondContact O-N 3.02Å; G131-A134 PolarHBondContact O-N 2.93Å; G131-W135 WeakPolarHBondContact O-CB 3.45Å; G131-W135 PolarHBondContact O-N 3.04Å |
| 132 | C | 97 | Very high | 97.7 | Very high | 95 Ų | 95 | 96.2 Ų | 96.2 | 64% | 0.642 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -60.9 | -41.5 | 178.7 | -69.8 | 0 | 0 | 0 | 0 | 112.7 | H130 K136 | H130-C132 PolarHBondContact O-N 2.97Å; C132-K136 WeakPolarHBondContact O-CG 3.03Å; C132-K136 PolarHBondContact O-N 3.38Å; C132-K136 VanDerWaalsContact O-N 3.15Å |
| 133 | N | 97.1 | Very high | 97.7 | Very high | 99 Ų | 99 | 94.2 Ų | 94.2 | 53% | 0.529 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -74.8 | -41.7 | -179 | -69.8 | -25.4 | 0 | 0 | 0 | 111.2 | H130 G131 W135 K136 V137 | H130-N133 PolarHBondContact O-N 3.47Å; H130-N133 VanDerWaalsContact O-N 3.15Å; G131-N133 VanDerWaalsContact C-N 3.34Å; G131-N133 PolarHBondContact O-N 3.02Å; N133-W135 VanDerWaalsContact C-N 3.28Å; N133-W135 PolarHBondContact O-N 3.44Å; N133-K136 PolarHBondContact O-N 2.9Å; N133-V137 WeakPolarHBondContact O-CG2 3.11Å; N133-V137 PolarHBondContact O-N 2.99Å; N133-V137 VanDerWaalsContact O-N 3.14Å |
| 134 | A | 97.8 | Very high | 97.8 | Very high | 62 Ų | 62 | 95.7 Ų | 95.7 | 51% | 0.512 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.6 | -41.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | H130 G131 K136 V137 Y138 | H130-A134 WeakPolarHBondContact O-CB 3.26Å; H130-A134 PolarHBondContact O-N 2.75Å; G131-A134 PolarHBondContact O-N 2.93Å; A134-K136 PolarHBondContact O-N 3.42Å; A134-V137 PolarHBondContact O-N 3.36Å; A134-Y138 WeakPolarHBondContact O-CB 3.41Å; A134-Y138 PolarHBondContact O-N 2.93Å |
| 135 | W | 97.8 | Very high | 97.8 | Very high | 159 Ų | 159 | 98 Ų | 98 | 60% | 0.602 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66.5 | -37 | 178.4 | -162.8 | -112.9 | 0 | 0 | 0 | 113 | G131 N133 Y138 N139 | G131-W135 WeakPolarHBondContact O-CB 3.45Å; G131-W135 PolarHBondContact O-N 3.04Å; N133-W135 VanDerWaalsContact C-N 3.28Å; N133-W135 PolarHBondContact O-N 3.44Å; W135-Y138 HydrophobicContact CD2-CD1 4.45Å; W135-Y138 AromaticContact CE3-CD1 3.98Å; W135-Y138 HydrophobicContact CE3-CD1 3.98Å; W135-Y138 AromaticContact CH2-CD1 3.96Å; W135-Y138 HydrophobicContact CH2-CD1 3.96Å; W135-Y138 AromaticContact CH2-CE1 3.93Å; W135-Y138 HydrophobicContact CH2-CE1 3.93Å; W135-Y138 HydrophobicContact CZ2-CD1 4.42Å; W135-Y138 AromaticContact CZ3-CD1 3.72Å; W135-Y138 HydrophobicContact CZ3-CD1 3.72Å; W135-Y138 HydrophobicContact CZ3-CE1 4Å; W135-Y138 PolarHBondContact O-N 3.48Å; W135-N139 PolarHBondContact NE1-ND2 2.96Å; W135-N139 VanDerWaalsContact O-CG 3.27Å; W135-N139 PolarHBondContact O-N 2.83Å; W135-N139 PolarHBondContact O-ND2 3.35Å |
| 136 | K | 97.9 | Very high | 97.8 | Very high | 127 Ų | 127 | 97.4 Ų | 97.4 | 55% | 0.552 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.9 | -48.7 | 174.3 | -74 | 172.7 | -176.6 | 179.4 | 0 | 111.6 | C132 N133 A134 Y138 N139 E140 | C132-K136 WeakPolarHBondContact O-CG 3.03Å; C132-K136 PolarHBondContact O-N 3.38Å; C132-K136 VanDerWaalsContact O-N 3.15Å; N133-K136 PolarHBondContact O-N 2.9Å; A134-K136 PolarHBondContact O-N 3.42Å; K136-Y138 VanDerWaalsContact C-N 3.31Å; K136-Y138 PolarHBondContact O-N 3.5Å; K136-N139 WeakPolarHBondContact O-CB 3.36Å; K136-N139 PolarHBondContact O-N 3.16Å; K136-N139 VanDerWaalsContact O-N 3.14Å; K136-E140 WeakPolarHBondContact O-CG 3.47Å; K136-E140 PolarHBondContact O-N 3.3Å |
| 137 | V | 98.1 | Very high | 97.9 | Very high | 79 Ų | 79 | 97.1 Ų | 97.1 | 48% | 0.479 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.1 | -41.7 | 176.7 | 175.7 | 0 | 0 | 0 | 0 | 111.1 | N133 A134 N139 E140 N141 | N133-V137 WeakPolarHBondContact O-CG2 3.11Å; N133-V137 PolarHBondContact O-N 2.99Å; N133-V137 VanDerWaalsContact O-N 3.14Å; A134-V137 PolarHBondContact O-N 3.36Å; V137-N139 VanDerWaalsContact C-N 3.33Å; V137-N139 PolarHBondContact O-N 3.46Å; V137-E140 PolarHBondContact O-N 3.29Å; V137-N141 PolarHBondContact O-N 2.95Å |
| 138 | Y | 98.1 | Very high | 97.9 | Very high | 114 Ų | 114 | 97.2 Ų | 97.2 | 45% | 0.447 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.6 | -42.8 | 175.1 | -180 | -106.7 | 0 | 0 | 0 | 112.1 | A134 W135 K136 E140 N141 L142 | A134-Y138 WeakPolarHBondContact O-CB 3.41Å; A134-Y138 PolarHBondContact O-N 2.93Å; W135-Y138 HydrophobicContact CD2-CD1 4.45Å; W135-Y138 AromaticContact CE3-CD1 3.98Å; W135-Y138 HydrophobicContact CE3-CD1 3.98Å; W135-Y138 AromaticContact CH2-CD1 3.96Å; W135-Y138 HydrophobicContact CH2-CD1 3.96Å; W135-Y138 AromaticContact CH2-CE1 3.93Å; W135-Y138 HydrophobicContact CH2-CE1 3.93Å; W135-Y138 HydrophobicContact CZ2-CD1 4.42Å; W135-Y138 AromaticContact CZ3-CD1 3.72Å; W135-Y138 HydrophobicContact CZ3-CD1 3.72Å; W135-Y138 HydrophobicContact CZ3-CE1 4Å; W135-Y138 PolarHBondContact O-N 3.48Å; K136-Y138 VanDerWaalsContact C-N 3.31Å; K136-Y138 PolarHBondContact O-N 3.5Å; Y138-E140 PolarHBondContact O-N 2.87Å; Y138-N141 WeakPolarHBondContact O-CB 3.31Å; Y138-N141 PolarHBondContact O-N 3.17Å; Y138-L142 HydrophobicContact CD1-CD1 3.97Å; Y138-L142 HydrophobicContact CD1-CG 4.36Å; Y138-L142 HydrophobicContact CE1-CD1 3.42Å; Y138-L142 VanDerWaalsContact CE1-CD1 3.42Å; Y138-L142 HydrophobicContact CE1-CD2 4.43Å; Y138-L142 HydrophobicContact CE1-CG 3.95Å; Y138-L142 HydrophobicContact CE2-CG 4.5Å; Y138-L142 WeakPolarHBondContact O-CG 3.33Å; Y138-L142 PolarHBondContact O-N 2.86Å |
| 139 | N | 98.3 | Very high | 98 | Very high | 62 Ų | 62 | 95.2 Ų | 95.2 | 33% | 0.332 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.1 | -39.2 | 175.5 | -71.9 | -38.5 | 0 | 0 | 0 | 112.4 | W135 K136 V137 N141 L142 V143 | W135-N139 PolarHBondContact NE1-ND2 2.96Å; W135-N139 VanDerWaalsContact O-CG 3.27Å; W135-N139 PolarHBondContact O-N 2.83Å; W135-N139 PolarHBondContact O-ND2 3.35Å; K136-N139 WeakPolarHBondContact O-CB 3.36Å; K136-N139 PolarHBondContact O-N 3.16Å; K136-N139 VanDerWaalsContact O-N 3.14Å; V137-N139 VanDerWaalsContact C-N 3.33Å; V137-N139 PolarHBondContact O-N 3.46Å; N139-N141 VanDerWaalsContact C-N 3.32Å; N139-N141 PolarHBondContact O-N 3.35Å; N139-L142 PolarHBondContact O-N 2.95Å; N139-V143 WeakPolarHBondContact O-CG2 3Å; N139-V143 PolarHBondContact O-N 2.95Å |
| 140 | E | 98.3 | Very high | 98.1 | Very high | 116 Ų | 116 | 95.2 Ų | 95.2 | 54% | 0.542 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.5 | -43.6 | 174 | -71.3 | 169.9 | -173.5 | 0 | 0 | 111.3 | K136 V137 Y138 L142 V143 H144 | K136-E140 WeakPolarHBondContact O-CG 3.47Å; K136-E140 PolarHBondContact O-N 3.3Å; V137-E140 PolarHBondContact O-N 3.29Å; Y138-E140 PolarHBondContact O-N 2.87Å; E140-L142 PolarHBondContact O-N 3.46Å; E140-V143 PolarHBondContact O-N 3.39Å; E140-H144 PolarHBondContact O-CD2 3.11Å; E140-H144 VanDerWaalsContact O-CD2 3.26Å; E140-H144 PolarHBondContact O-N 2.93Å |
| 141 | N | 98.3 | Very high | 98.1 | Very high | 89 Ų | 89 | 95.7 Ų | 95.7 | 48% | 0.476 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.1 | -43.5 | 174.6 | -69.5 | -24.1 | 0 | 0 | 0 | 112 | V137 Y138 N139 V143 H144 M145 | V137-N141 PolarHBondContact O-N 2.95Å; Y138-N141 WeakPolarHBondContact O-CB 3.31Å; Y138-N141 PolarHBondContact O-N 3.17Å; N139-N141 VanDerWaalsContact C-N 3.32Å; N139-N141 PolarHBondContact O-N 3.35Å; N141-V143 PolarHBondContact O-N 2.87Å; N141-H144 PolarHBondContact O-N 3.45Å; N141-M145 WeakPolarHBondContact O-CG 3.22Å; N141-M145 PolarHBondContact O-N 3.29Å |
| 142 | L | 98.3 | Very high | 98.2 | Very high | 59 Ų | 59 | 98.4 Ų | 98.4 | 31% | 0.309 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62 | -42.5 | 176.6 | -72 | -178.5 | 0 | 0 | 0 | 112.1 | Y138 N139 E140 H144 M145 I146 | Y138-L142 HydrophobicContact CD1-CD1 3.97Å; Y138-L142 HydrophobicContact CD1-CG 4.36Å; Y138-L142 HydrophobicContact CE1-CD1 3.42Å; Y138-L142 VanDerWaalsContact CE1-CD1 3.42Å; Y138-L142 HydrophobicContact CE1-CD2 4.43Å; Y138-L142 HydrophobicContact CE1-CG 3.95Å; Y138-L142 HydrophobicContact CE2-CG 4.5Å; Y138-L142 WeakPolarHBondContact O-CG 3.33Å; Y138-L142 PolarHBondContact O-N 2.86Å; N139-L142 PolarHBondContact O-N 2.95Å; E140-L142 PolarHBondContact O-N 3.46Å; L142-H144 VanDerWaalsContact C-N 3.35Å; L142-H144 PolarHBondContact O-N 3.37Å; L142-M145 PolarHBondContact O-N 2.92Å; L142-I146 WeakPolarHBondContact O-CG1 3.39Å; L142-I146 PolarHBondContact O-N 2.87Å |
| 143 | V | 98.5 | Very high | 98.3 | Very high | 75 Ų | 75 | 97.8 Ų | 97.8 | 46% | 0.455 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.2 | -46.5 | 176 | 171.5 | 0 | 0 | 0 | 0 | 110.2 | N139 E140 N141 M145 I146 E147 | N139-V143 WeakPolarHBondContact O-CG2 3Å; N139-V143 PolarHBondContact O-N 2.95Å; E140-V143 PolarHBondContact O-N 3.39Å; N141-V143 PolarHBondContact O-N 2.87Å; V143-M145 PolarHBondContact O-N 3.46Å; V143-I146 PolarHBondContact O-N 3.4Å; V143-E147 HydrophobicContact CG1-CG 4.41Å; V143-E147 WeakPolarHBondContact O-CG 3.33Å; V143-E147 PolarHBondContact O-N 3.42Å |
| 144 | H | 98.4 | Very high | 98.3 | Very high | 121 Ų | 121 | 98.6 Ų | 98.6 | 56% | 0.56 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -60.2 | -41.4 | 176.3 | -77.7 | -50.6 | 0 | 0 | 0 | 113.3 | E140 N141 L142 E147 H148 | E140-H144 PolarHBondContact O-CD2 3.11Å; E140-H144 VanDerWaalsContact O-CD2 3.26Å; E140-H144 PolarHBondContact O-N 2.93Å; N141-H144 PolarHBondContact O-N 3.45Å; L142-H144 VanDerWaalsContact C-N 3.35Å; L142-H144 PolarHBondContact O-N 3.37Å; H144-E147 PolarHBondContact O-N 3.41Å; H144-H148 WeakPolarHBondContact O-CB 2.98Å; H144-H148 PolarHBondContact O-N 2.92Å |
| 145 | M | 98.4 | Very high | 98.4 | Very high | 130 Ų | 130 | 101.9 Ų | 101.9 | 64% | 0.64 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.4 | -43.4 | 176.3 | -71.7 | 176.4 | 67.5 | 0 | 0 | 111.9 | N141 L142 V143 H148 A149 | N141-M145 WeakPolarHBondContact O-CG 3.22Å; N141-M145 PolarHBondContact O-N 3.29Å; L142-M145 PolarHBondContact O-N 2.92Å; V143-M145 PolarHBondContact O-N 3.46Å; M145-H148 PolarHBondContact O-N 3.21Å; M145-A149 WeakPolarHBondContact O-CB 2.87Å; M145-A149 PolarHBondContact O-N 3.49Å |
| 146 | I | 98.6 | Very high | 98.4 | Very high | 97 Ų | 97 | 99 Ų | 99 | 50% | 0.497 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.6 | -48.4 | 177.7 | -69.7 | 167.7 | 0 | 0 | 0 | 110.4 | L142 V143 H148 A149 Q150 | L142-I146 WeakPolarHBondContact O-CG1 3.39Å; L142-I146 PolarHBondContact O-N 2.87Å; V143-I146 PolarHBondContact O-N 3.4Å; I146-H148 VanDerWaalsContact C-N 3.3Å; I146-H148 PolarHBondContact O-N 3.27Å; I146-A149 PolarHBondContact O-N 3.02Å; I146-Q150 HydrophobicContact CG2-CG 4.3Å; I146-Q150 WeakPolarHBondContact O-CB 3.47Å; I146-Q150 WeakPolarHBondContact O-CG 3.27Å; I146-Q150 PolarHBondContact O-N 3.44Å |
| 147 | E | 98.6 | Very high | 98.5 | Very high | 78 Ų | 78 | 99.5 Ų | 99.5 | 36% | 0.364 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.4 | -41.8 | 178.5 | -74.6 | -177.9 | -179.6 | 0 | 0 | 112 | V143 H144 Q150 K151 | V143-E147 HydrophobicContact CG1-CG 4.41Å; V143-E147 WeakPolarHBondContact O-CG 3.33Å; V143-E147 PolarHBondContact O-N 3.42Å; H144-E147 PolarHBondContact O-N 3.41Å; E147-Q150 PolarHBondContact O-N 2.96Å; E147-K151 WeakPolarHBondContact O-CB 3.29Å; E147-K151 VanDerWaalsContact O-CG 3.24Å; E147-K151 WeakPolarHBondContact O-CG 3.41Å; E147-K151 PolarHBondContact O-N 3.27Å; E147-K151 IonicContact OE2-NZ 3.67Å |
| 148 | H | 98.5 | Very high | 98.5 | Very high | 120 Ų | 120 | 101.6 Ų | 101.6 | 56% | 0.556 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -61.7 | -50.1 | 176.4 | -179.3 | -87.5 | 0 | 0 | 0 | 111.2 | H144 M145 I146 Q150 K151 E152 | H144-H148 WeakPolarHBondContact O-CB 2.98Å; H144-H148 PolarHBondContact O-N 2.92Å; M145-H148 PolarHBondContact O-N 3.21Å; I146-H148 VanDerWaalsContact C-N 3.3Å; I146-H148 PolarHBondContact O-N 3.27Å; H148-Q150 VanDerWaalsContact C-N 3.32Å; H148-Q150 PolarHBondContact O-N 3.15Å; H148-K151 PolarHBondContact O-N 3.04Å; H148-E152 PolarHBondContact O-N 3.38Å |
| 149 | A | 98.6 | Very high | 98.5 | Very high | 59 Ų | 59 | 101.3 Ų | 101.3 | 49% | 0.488 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.3 | -40.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | M145 I146 E152 L153 | M145-A149 WeakPolarHBondContact O-CB 2.87Å; M145-A149 PolarHBondContact O-N 3.49Å; I146-A149 PolarHBondContact O-N 3.02Å; A149-E152 PolarHBondContact O-N 3.41Å; A149-L153 WeakPolarHBondContact O-CB 3.38Å; A149-L153 PolarHBondContact O-N 2.98Å |
| 150 | Q | 98.6 | Very high | 98.5 | Very high | 122 Ų | 122 | 102.3 Ų | 102.3 | 57% | 0.57 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.3 | -40.3 | 176.2 | -73.4 | 177.1 | -13.8 | 0 | 0 | 112.5 | I146 E147 H148 L153 Q154 | I146-Q150 HydrophobicContact CG2-CG 4.3Å; I146-Q150 WeakPolarHBondContact O-CB 3.47Å; I146-Q150 WeakPolarHBondContact O-CG 3.27Å; I146-Q150 PolarHBondContact O-N 3.44Å; E147-Q150 PolarHBondContact O-N 2.96Å; H148-Q150 VanDerWaalsContact C-N 3.32Å; H148-Q150 PolarHBondContact O-N 3.15Å; Q150-L153 PolarHBondContact O-N 3.29Å; Q150-Q154 WeakPolarHBondContact O-CB 3.32Å; Q150-Q154 PolarHBondContact O-N 3.32Å |
| 151 | K | 98.6 | Very high | 98.5 | Very high | 121 Ų | 121 | 102.9 Ų | 102.9 | 53% | 0.526 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.7 | -45.7 | 175.3 | -75.7 | 168.4 | -171.6 | 167.1 | 0 | 111.3 | E147 H148 Q154 K155 | E147-K151 WeakPolarHBondContact O-CB 3.29Å; E147-K151 VanDerWaalsContact O-CG 3.24Å; E147-K151 WeakPolarHBondContact O-CG 3.41Å; E147-K151 PolarHBondContact O-N 3.27Å; E147-K151 IonicContact OE2-NZ 3.67Å; H148-K151 PolarHBondContact O-N 3.04Å; K151-Q154 PolarHBondContact O-N 2.98Å; K151-K155 WeakPolarHBondContact O-CG 3.45Å; K151-K155 PolarHBondContact O-N 3.45Å |
| 152 | E | 98.6 | Very high | 98.5 | Very high | 82 Ų | 82 | 102.1 Ų | 102.1 | 38% | 0.383 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.6 | -42.8 | 177 | -68.8 | -53.8 | 113.4 | 0 | 0 | 111.9 | H148 A149 Q154 K155 L156 | H148-E152 PolarHBondContact O-N 3.38Å; A149-E152 PolarHBondContact O-N 3.41Å; E152-Q154 VanDerWaalsContact C-N 3.32Å; E152-Q154 PolarHBondContact O-N 2.95Å; E152-K155 PolarHBondContact O-N 2.9Å; E152-K155 WeakPolarHBondContact OE1-CD 3.39Å; E152-K155 WeakPolarHBondContact OE1-CE 3.34Å; E152-K155 IonicContact OE1-NZ 4Å; E152-K155 PolarHBondContact OE1-NZ 3.39Å; E152-L156 PolarHBondContact O-N 3.22Å |
| 153 | L | 98.6 | Very high | 98.5 | Very high | 82 Ų | 82 | 102.8 Ų | 102.8 | 43% | 0.429 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.9 | -43.5 | 174.4 | 179.8 | 63.8 | 0 | 0 | 0 | 111.9 | A149 Q150 L156 R157 | A149-L153 WeakPolarHBondContact O-CB 3.38Å; A149-L153 PolarHBondContact O-N 2.98Å; Q150-L153 PolarHBondContact O-N 3.29Å; L153-L156 PolarHBondContact O-N 2.69Å; L153-R157 HydrophobicContact CD1-CG 4.42Å; L153-R157 WeakPolarHBondContact O-CB 3.12Å; L153-R157 WeakPolarHBondContact O-CG 3.38Å; L153-R157 PolarHBondContact O-N 3.44Å |
| 154 | Q | 98.6 | Very high | 98.4 | Very high | 117 Ų | 117 | 101.7 Ų | 101.7 | 55% | 0.547 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.1 | -40.1 | 179.7 | -173.1 | 61.4 | 16.9 | 0 | 0 | 112 | Q150 K151 E152 R157 K158 | Q150-Q154 WeakPolarHBondContact O-CB 3.32Å; Q150-Q154 PolarHBondContact O-N 3.32Å; K151-Q154 PolarHBondContact O-N 2.98Å; E152-Q154 VanDerWaalsContact C-N 3.32Å; E152-Q154 PolarHBondContact O-N 2.95Å; Q154-R157 PolarHBondContact O-N 2.87Å; Q154-K158 WeakPolarHBondContact O-CB 3.36Å; Q154-K158 PolarHBondContact O-N 2.7Å |
| 155 | K | 98.6 | Very high | 98.4 | Very high | 130 Ų | 130 | 103.9 Ų | 103.9 | 57% | 0.565 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -59.5 | -47.6 | 173.3 | -72.2 | 173.6 | -172.9 | 171 | 0 | 111 | K151 E152 K158 H159 | K151-K155 WeakPolarHBondContact O-CG 3.45Å; K151-K155 PolarHBondContact O-N 3.45Å; E152-K155 PolarHBondContact O-N 2.9Å; E152-K155 WeakPolarHBondContact OE1-CD 3.39Å; E152-K155 WeakPolarHBondContact OE1-CE 3.34Å; E152-K155 IonicContact OE1-NZ 4Å; E152-K155 PolarHBondContact OE1-NZ 3.39Å; K155-K158 PolarHBondContact O-N 2.79Å; K155-H159 PolarHBondContact O-N 3.47Å |
| 156 | L | 98.6 | Very high | 98.3 | Very high | 98 Ų | 98 | 102.7 Ų | 102.7 | 51% | 0.513 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.7 | -44 | 179.7 | -176.4 | 62.5 | 0 | 0 | 0 | 111.7 | E152 L153 K158 H159 I160 | E152-L156 PolarHBondContact O-N 3.22Å; L153-L156 PolarHBondContact O-N 2.69Å; L156-K158 VanDerWaalsContact C-N 3.34Å; L156-K158 PolarHBondContact O-N 2.9Å; L156-H159 PolarHBondContact O-N 2.98Å; L156-I160 HydrophobicContact CD1-CD1 4.32Å; L156-I160 HydrophobicContact CD1-CG1 4.48Å; L156-I160 HydrophobicContact CG-CD1 3.96Å; L156-I160 VanDerWaalsContact O-CG1 3.31Å; L156-I160 WeakPolarHBondContact O-CG1 3.34Å; L156-I160 PolarHBondContact O-N 3.29Å |
| 157 | R | 98.5 | Very high | 98.1 | Very high | 138 Ų | 138 | 104.1 Ų | 104.1 | 52% | 0.521 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -58.7 | -45.2 | 175.5 | -78.1 | 177.1 | 173.2 | -179 | -1.8 | 112 | L153 Q154 I160 Q161 | L153-R157 HydrophobicContact CD1-CG 4.42Å; L153-R157 WeakPolarHBondContact O-CB 3.12Å; L153-R157 WeakPolarHBondContact O-CG 3.38Å; L153-R157 PolarHBondContact O-N 3.44Å; Q154-R157 PolarHBondContact O-N 2.87Å; R157-I160 PolarHBondContact O-N 2.93Å; R157-Q161 VanDerWaalsContact O-CG 3.32Å; R157-Q161 WeakPolarHBondContact O-CG 3.28Å; R157-Q161 PolarHBondContact O-N 3.03Å |
| 158 | K | 98.6 | Very high | 98 | Very high | 124 Ų | 124 | 105 Ų | 105 | 54% | 0.539 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.5 | -46.5 | 175.9 | -175.5 | -179.5 | 176.6 | -177.9 | 0 | 110.9 | Q154 K155 L156 I160 Q161 D162 | Q154-K158 WeakPolarHBondContact O-CB 3.36Å; Q154-K158 PolarHBondContact O-N 2.7Å; K155-K158 PolarHBondContact O-N 2.79Å; L156-K158 VanDerWaalsContact C-N 3.34Å; L156-K158 PolarHBondContact O-N 2.9Å; K158-I160 PolarHBondContact O-N 3.4Å; K158-Q161 WeakPolarHBondContact O-CB 3.49Å; K158-Q161 PolarHBondContact O-N 3.02Å; K158-Q161 VanDerWaalsContact O-N 3.16Å; K158-D162 VanDerWaalsContact O-CG 3.28Å; K158-D162 PolarHBondContact O-N 2.95Å |
| 159 | H | 98.4 | Very high | 97.9 | Very high | 107 Ų | 107 | 102.6 Ų | 102.6 | 50% | 0.495 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.6 | -43.7 | 178.6 | -174 | 58.6 | 0 | 0 | 0 | 112.7 | K155 L156 Q161 D162 L163 | K155-H159 PolarHBondContact O-N 3.47Å; L156-H159 PolarHBondContact O-N 2.98Å; H159-Q161 VanDerWaalsContact C-N 3.33Å; H159-Q161 PolarHBondContact O-N 3.38Å; H159-D162 PolarHBondContact O-N 3.43Å; H159-L163 WeakPolarHBondContact O-CG 3.35Å; H159-L163 PolarHBondContact O-N 2.96Å |
| 160 | I | 98.3 | Very high | 97.7 | Very high | 83 Ų | 83 | 106.5 Ų | 106.5 | 43% | 0.426 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.7 | -43.3 | 174.9 | -68.6 | 166.5 | 0 | 0 | 0 | 110.8 | L156 R157 K158 L163 N164 | L156-I160 HydrophobicContact CD1-CD1 4.32Å; L156-I160 HydrophobicContact CD1-CG1 4.48Å; L156-I160 HydrophobicContact CG-CD1 3.96Å; L156-I160 VanDerWaalsContact O-CG1 3.31Å; L156-I160 WeakPolarHBondContact O-CG1 3.34Å; L156-I160 PolarHBondContact O-N 3.29Å; R157-I160 PolarHBondContact O-N 2.93Å; K158-I160 PolarHBondContact O-N 3.4Å; I160-L163 PolarHBondContact O-N 3.19Å; I160-N164 WeakPolarHBondContact O-CB 3.42Å; I160-N164 VanDerWaalsContact O-CG 3.3Å; I160-N164 PolarHBondContact O-N 3.3Å; I160-N164 PolarHBondContact O-ND2 2.96Å |
| 161 | Q | 98.2 | Very high | 97.5 | Very high | 128 Ų | 128 | 101.6 Ų | 101.6 | 60% | 0.598 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -63.7 | -45.1 | 177.7 | -74.9 | 175.8 | -7.8 | 0 | 0 | 112 | R157 K158 H159 L163 N164 W165 | R157-Q161 VanDerWaalsContact O-CG 3.32Å; R157-Q161 WeakPolarHBondContact O-CG 3.28Å; R157-Q161 PolarHBondContact O-N 3.03Å; K158-Q161 WeakPolarHBondContact O-CB 3.49Å; K158-Q161 PolarHBondContact O-N 3.02Å; K158-Q161 VanDerWaalsContact O-N 3.16Å; H159-Q161 VanDerWaalsContact C-N 3.33Å; H159-Q161 PolarHBondContact O-N 3.38Å; Q161-L163 PolarHBondContact O-N 2.99Å; Q161-N164 PolarHBondContact O-N 3.49Å; Q161-W165 WeakPolarHBondContact O-CB 3.31Å; Q161-W165 PolarHBondContact O-N 3.21Å |
| 162 | D | 98.3 | Very high | 97.3 | Very high | 73 Ų | 73 | 99.2 Ų | 99.2 | 39% | 0.39 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.1 | -44.8 | 178.4 | -68.3 | -21.4 | 0 | 0 | 0 | 110.9 | K158 H159 W165 Q166 | K158-D162 VanDerWaalsContact O-CG 3.28Å; K158-D162 PolarHBondContact O-N 2.95Å; H159-D162 PolarHBondContact O-N 3.43Å; D162-W165 PolarHBondContact O-N 3.43Å; D162-Q166 WeakPolarHBondContact O-CG 3.32Å; D162-Q166 PolarHBondContact O-N 2.96Å |
| 163 | L | 97.8 | Very high | 97.2 | Very high | 74 Ų | 74 | 99.3 Ų | 99.3 | 39% | 0.387 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62.2 | -45.7 | 175.3 | -74.8 | 176.5 | 0 | 0 | 0 | 112.3 | H159 I160 Q161 W165 Q166 R167 | H159-L163 WeakPolarHBondContact O-CG 3.35Å; H159-L163 PolarHBondContact O-N 2.96Å; I160-L163 PolarHBondContact O-N 3.19Å; Q161-L163 PolarHBondContact O-N 2.99Å; L163-W165 VanDerWaalsContact C-N 3.3Å; L163-W165 PolarHBondContact O-N 3.23Å; L163-Q166 PolarHBondContact O-N 3.38Å; L163-R167 WeakPolarHBondContact O-CB 3.46Å; L163-R167 PolarHBondContact O-N 3.26Å |
| 164 | N | 96.8 | Very high | 96.9 | Very high | 52 Ų | 52 | 97.4 Ų | 97.4 | 28% | 0.278 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -64.7 | -36.8 | 178.1 | -78.3 | -17.4 | 0 | 0 | 0 | 111.8 | Y18 I160 Q161 R167 K168 | Y18-N164 WeakPolarHBondContact OH-CB 3.33Å; I160-N164 WeakPolarHBondContact O-CB 3.42Å; I160-N164 VanDerWaalsContact O-CG 3.3Å; I160-N164 PolarHBondContact O-N 3.3Å; I160-N164 PolarHBondContact O-ND2 2.96Å; Q161-N164 PolarHBondContact O-N 3.49Å; N164-R167 PolarHBondContact O-N 2.92Å; N164-R167 PolarHBondContact OD1-NH1 3.28Å; N164-K168 VanDerWaalsContact O-CB 3.29Å; N164-K168 WeakPolarHBondContact O-CB 3.15Å; N164-K168 PolarHBondContact O-N 3.22Å |
| 165 | W | 97.8 | Very high | 96.7 | Very high | 166 Ų | 166 | 91.9 Ų | 91.9 | 63% | 0.629 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -64.2 | -47.3 | 175.1 | -179.3 | 81.1 | 0 | 0 | 0 | 111.6 | Q161 D162 L163 R167 K168 N169 | Q161-W165 WeakPolarHBondContact O-CB 3.31Å; Q161-W165 PolarHBondContact O-N 3.21Å; D162-W165 PolarHBondContact O-N 3.43Å; L163-W165 VanDerWaalsContact C-N 3.3Å; L163-W165 PolarHBondContact O-N 3.23Å; W165-R167 PolarHBondContact O-N 3.19Å; W165-K168 PolarHBondContact O-N 2.99Å; W165-N169 WeakPolarHBondContact CH2-ND2 3.27Å; W165-N169 WeakPolarHBondContact CZ2-ND2 3.46Å; W165-N169 PolarHBondContact O-N 3.41Å |
| 166 | Q | 96.9 | Very high | 96.5 | Very high | 105 Ų | 105 | 89.3 Ų | 89.3 | 49% | 0.491 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -58.8 | -48.1 | 174.6 | -71 | 175 | 9.2 | 0 | 0 | 111.4 | D162 L163 K168 N169 M170 | D162-Q166 WeakPolarHBondContact O-CG 3.32Å; D162-Q166 PolarHBondContact O-N 2.96Å; L163-Q166 PolarHBondContact O-N 3.38Å; Q166-K168 PolarHBondContact O-N 3.46Å; Q166-N169 PolarHBondContact O-N 3.46Å; Q166-M170 WeakPolarHBondContact O-CG 3.33Å; Q166-M170 PolarHBondContact O-N 3.46Å |
| 167 | R | 95.1 | Very high | 96.4 | Very high | 127 Ų | 127 | 90.5 Ų | 90.5 | 48% | 0.479 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -58.6 | -46.9 | 177.6 | -172.4 | -177.9 | -64.2 | 146.7 | -1.1 | 111.5 | Y18 L163 N164 W165 N169 M170 Q171 | Y18-R167 HydrophobicContact CD2-CG 4.3Å; Y18-R167 HydrophobicContact CE2-CB 4.29Å; Y18-R167 HydrophobicContact CE2-CG 4.17Å; L163-R167 WeakPolarHBondContact O-CB 3.46Å; L163-R167 PolarHBondContact O-N 3.26Å; N164-R167 PolarHBondContact O-N 2.92Å; N164-R167 PolarHBondContact OD1-NH1 3.28Å; W165-R167 PolarHBondContact O-N 3.19Å; R167-N169 PolarHBondContact O-N 3.49Å; R167-M170 PolarHBondContact O-N 3.27Å; R167-Q171 HydrophobicContact CG-CG 4.31Å; R167-Q171 WeakPolarHBondContact O-CB 3.44Å; R167-Q171 VanDerWaalsContact O-CG 3.26Å; R167-Q171 WeakPolarHBondContact O-CG 3.33Å; R167-Q171 PolarHBondContact O-N 3.5Å |
| 168 | K | 95.5 | Very high | 96.2 | Very high | 98 Ų | 98 | 88.1 Ų | 88.1 | 43% | 0.426 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -58.9 | -46.2 | 178.2 | -178.4 | 174.9 | 180 | 178.5 | 0 | 111.6 | Y18 N164 W165 Q166 Q171 L172 | Y18-K168 HydrophobicContact CD1-CB 4.17Å; Y18-K168 HydrophobicContact CD1-CD 4.14Å; Y18-K168 HydrophobicContact CD1-CG 4.01Å; Y18-K168 HydrophobicContact CD2-CB 3.84Å; Y18-K168 HydrophobicContact CD2-CG 4.39Å; Y18-K168 HydrophobicContact CE1-CB 4.37Å; Y18-K168 HydrophobicContact CE1-CD 4.4Å; Y18-K168 HydrophobicContact CE2-CB 4.04Å; Y18-K168 HydrophobicContact CG-CB 3.92Å; Y18-K168 HydrophobicContact CG-CG 3.95Å; N164-K168 VanDerWaalsContact O-CB 3.29Å; N164-K168 WeakPolarHBondContact O-CB 3.15Å; N164-K168 PolarHBondContact O-N 3.22Å; W165-K168 PolarHBondContact O-N 2.99Å; Q166-K168 PolarHBondContact O-N 3.46Å; K168-Q171 PolarHBondContact O-N 3.26Å; K168-L172 HydrophobicContact CD-CD1 4.49Å; K168-L172 HydrophobicContact CG-CD1 3.84Å; K168-L172 HydrophobicContact CG-CG 4.27Å; K168-L172 WeakPolarHBondContact O-CB 3.44Å; K168-L172 VanDerWaalsContact O-CG 3.27Å; K168-L172 WeakPolarHBondContact O-CG 3.48Å; K168-L172 PolarHBondContact O-N 3.28Å |
| 169 | N | 96.6 | Very high | 96 | Very high | 68 Ų | 68 | 89.9 Ų | 89.9 | 36% | 0.364 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -62.6 | -45.1 | 179.2 | -71 | -15.9 | 0 | 0 | 0 | 112.1 | W165 Q166 R167 S173 | W165-N169 WeakPolarHBondContact CH2-ND2 3.27Å; W165-N169 WeakPolarHBondContact CZ2-ND2 3.46Å; W165-N169 PolarHBondContact O-N 3.41Å; Q166-N169 PolarHBondContact O-N 3.46Å; R167-N169 PolarHBondContact O-N 3.49Å; N169-S173 WeakPolarHBondContact O-CB 3.48Å; N169-S173 PolarHBondContact O-N 3.26Å |
| 170 | M | 94.6 | Very high | 95.9 | Very high | 141 Ų | 141 | 90.1 Ų | 90.1 | 70% | 0.695 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -60.1 | -47.7 | 176.5 | -71.5 | 178.4 | 65 | 0 | 0 | 111.6 | Q166 R167 S173 A174 | Q166-M170 WeakPolarHBondContact O-CG 3.33Å; Q166-M170 PolarHBondContact O-N 3.46Å; R167-M170 PolarHBondContact O-N 3.27Å; M170-S173 PolarHBondContact O-N 3.03Å; M170-A174 WeakPolarHBondContact O-CB 3.48Å; M170-A174 PolarHBondContact O-N 2.92Å |
| 171 | Q | 94.5 | Very high | 95.9 | Very high | 19 Ų | 19 | 91.2 Ų | 91.2 | 9% | 0.089 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -66.9 | -40.8 | -178.1 | -68.5 | -174.2 | 1.7 | 0 | 0 | 112.6 | L16 Y18 R167 K168 A174 G175 | L16-Q171 HydrophobicContact CB-CB 4.36Å; L16-Q171 HydrophobicContact CB-CG 4.38Å; L16-Q171 HydrophobicContact CD2-CB 4.1Å; L16-Q171 HydrophobicContact CD2-CG 3.69Å; Y18-Q171 VanDerWaalsContact CB-OE1 3.3Å; Y18-Q171 VanDerWaalsContact CD2-OE1 3.32Å; R167-Q171 HydrophobicContact CG-CG 4.31Å; R167-Q171 WeakPolarHBondContact O-CB 3.44Å; R167-Q171 VanDerWaalsContact O-CG 3.26Å; R167-Q171 WeakPolarHBondContact O-CG 3.33Å; R167-Q171 PolarHBondContact O-N 3.5Å; K168-Q171 PolarHBondContact O-N 3.26Å; Q171-A174 PolarHBondContact O-N 3.45Å; Q171-G175 PolarHBondContact O-N 2.99Å |
| 172 | L | 94.8 | Very high | 95.8 | Very high | 72 Ų | 72 | 91.2 Ų | 91.2 | 38% | 0.377 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -67 | -37.6 | 176.8 | -69.7 | 177.9 | 0 | 0 | 0 | 112.1 | F19 K168 S176 | F19-L172 HydrophobicContact CD2-CD2 4.3Å; K168-L172 HydrophobicContact CD-CD1 4.49Å; K168-L172 HydrophobicContact CG-CD1 3.84Å; K168-L172 HydrophobicContact CG-CG 4.27Å; K168-L172 WeakPolarHBondContact O-CB 3.44Å; K168-L172 VanDerWaalsContact O-CG 3.27Å; K168-L172 WeakPolarHBondContact O-CG 3.48Å; K168-L172 PolarHBondContact O-N 3.28Å; L172-S176 WeakPolarHBondContact O-CB 3.32Å; L172-S176 PolarHBondContact O-N 3.48Å |
| 173 | S | 95.3 | Very high | 95.8 | Very high | 84 Ų | 84 | 91.4 Ų | 91.4 | 59% | 0.587 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -65.8 | -48 | 175.3 | -178.6 | 0 | 0 | 0 | 0 | 111.7 | N169 M170 S176 K177 | N169-S173 WeakPolarHBondContact O-CB 3.48Å; N169-S173 PolarHBondContact O-N 3.26Å; M170-S173 PolarHBondContact O-N 3.03Å; S173-S176 PolarHBondContact O-N 3.34Å; S173-K177 PolarHBondContact O-N 3.05Å |
| 174 | A | 93.9 | Very high | 95.8 | Very high | 42 Ų | 42 | 91.8 Ų | 91.8 | 35% | 0.347 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -61.3 | -45.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L16 M170 Q171 S176 K177 L178 | L16-A174 HydrophobicContact CD1-CB 4.45Å; M170-A174 WeakPolarHBondContact O-CB 3.48Å; M170-A174 PolarHBondContact O-N 2.92Å; Q171-A174 PolarHBondContact O-N 3.45Å; A174-S176 PolarHBondContact O-N 3.22Å; A174-K177 WeakPolarHBondContact O-CA 3.48Å; A174-K177 WeakPolarHBondContact O-CB 3.36Å; A174-K177 PolarHBondContact O-N 2.93Å; A174-L178 PolarHBondContact O-N 3.4Å |
| 175 | G | 93.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 97.2 Ų | 97.2 | 0% | 0 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -62.7 | -37.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | F19 Q171 K177 L178 R179 | F19-G175 VanDerWaalsContact CE2-CA 3.47Å; F19-G175 WeakPolarHBondContact CZ-O 3.17Å; Q171-G175 PolarHBondContact O-N 2.99Å; G175-K177 VanDerWaalsContact C-N 3.26Å; G175-K177 PolarHBondContact O-N 3.41Å; G175-L178 PolarHBondContact O-N 3.4Å; G175-R179 PolarHBondContact O-N 3.24Å |
| 176 | S | 94.8 | Very high | 95.9 | Very high | 76 Ų | 76 | 92.6 Ų | 92.6 | 53% | 0.531 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -59.9 | -39.9 | 171.9 | -173.3 | 0 | 0 | 0 | 0 | 111.8 | L172 S173 A174 R179 E180 | L172-S176 WeakPolarHBondContact O-CB 3.32Å; L172-S176 PolarHBondContact O-N 3.48Å; S173-S176 PolarHBondContact O-N 3.34Å; A174-S176 PolarHBondContact O-N 3.22Å; S176-R179 PolarHBondContact O-N 3.15Å; S176-E180 PolarHBondContact O-N 2.89Å; S176-E180 VanDerWaalsContact O-N 3.08Å |
| 177 | K | 95.5 | Very high | 95.9 | Very high | 124 Ų | 124 | 91 Ų | 91 | 54% | 0.539 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -70.4 | -36.8 | 177.8 | -170.8 | 145.8 | -175.5 | 166.6 | 0 | 112.1 | S173 A174 G175 E180 M181 | S173-K177 PolarHBondContact O-N 3.05Å; A174-K177 WeakPolarHBondContact O-CA 3.48Å; A174-K177 WeakPolarHBondContact O-CB 3.36Å; A174-K177 PolarHBondContact O-N 2.93Å; G175-K177 VanDerWaalsContact C-N 3.26Å; G175-K177 PolarHBondContact O-N 3.41Å; K177-E180 PolarHBondContact O-N 3.43Å; K177-M181 HydrophobicContact CD-CE 4.36Å; K177-M181 HydrophobicContact CG-CE 3.88Å; K177-M181 HydrophobicContact CG-SD 4.45Å; K177-M181 WeakPolarHBondContact O-CB 3.42Å; K177-M181 VanDerWaalsContact O-CG 3.28Å; K177-M181 WeakPolarHBondContact O-CG 3.5Å; K177-M181 PolarHBondContact O-N 2.94Å |
| 178 | L | 94.6 | Very high | 96 | Very high | 88 Ų | 88 | 90 Ų | 90 | 46% | 0.461 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -60.3 | -45.5 | 171.8 | -71 | 174.7 | 0 | 0 | 0 | 111.5 | L16 A174 G175 E180 M181 E182 | L16-L178 HydrophobicContact CD1-CD1 3.75Å; A174-L178 PolarHBondContact O-N 3.4Å; G175-L178 PolarHBondContact O-N 3.4Å; L178-E180 VanDerWaalsContact C-N 3.34Å; L178-E180 PolarHBondContact O-N 3.14Å; L178-M181 PolarHBondContact O-N 3.5Å; L178-E182 WeakPolarHBondContact O-CB 3.39Å; L178-E182 PolarHBondContact O-N 2.91Å |
| 179 | R | 94.8 | Very high | 96.1 | Very high | 161 Ų | 161 | 88.6 Ų | 88.6 | 61% | 0.608 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -62.4 | -40 | 177.1 | -170.7 | -177.2 | -63.9 | 170.8 | 1.2 | 112.5 | G175 S176 E182 S183 | G175-R179 PolarHBondContact O-N 3.24Å; S176-R179 PolarHBondContact O-N 3.15Å; R179-E182 PolarHBondContact O-N 3.1Å; R179-S183 WeakPolarHBondContact O-CB 3.47Å; R179-S183 PolarHBondContact O-N 3.39Å |
| 180 | E | 97.2 | Very high | 96.2 | Very high | 112 Ų | 112 | 87.9 Ų | 87.9 | 52% | 0.523 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62.6 | -46.5 | 174.4 | -174.2 | -170.7 | 168.6 | 0 | 0 | 111.2 | S176 K177 L178 E182 S183 N184 | S176-E180 PolarHBondContact O-N 2.89Å; S176-E180 VanDerWaalsContact O-N 3.08Å; K177-E180 PolarHBondContact O-N 3.43Å; L178-E180 VanDerWaalsContact C-N 3.34Å; L178-E180 PolarHBondContact O-N 3.14Å; E180-E182 VanDerWaalsContact C-N 3.35Å; E180-E182 PolarHBondContact O-N 2.69Å; E180-S183 PolarHBondContact O-N 3.36Å; E180-N184 WeakPolarHBondContact O-CB 3.45Å; E180-N184 VanDerWaalsContact O-CG 3.23Å; E180-N184 PolarHBondContact O-N 3.38Å; E180-N184 PolarHBondContact O-ND2 3.31Å |
| 181 | M | 97.3 | Very high | 96.3 | Very high | 106 Ų | 106 | 87.1 Ų | 87.1 | 52% | 0.522 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -61.9 | -41.3 | 177.1 | -72.7 | 177.3 | 176.4 | 0 | 0 | 112.1 | K177 L178 N184 W185 | K177-M181 HydrophobicContact CD-CE 4.36Å; K177-M181 HydrophobicContact CG-CE 3.88Å; K177-M181 HydrophobicContact CG-SD 4.45Å; K177-M181 WeakPolarHBondContact O-CB 3.42Å; K177-M181 VanDerWaalsContact O-CG 3.28Å; K177-M181 WeakPolarHBondContact O-CG 3.5Å; K177-M181 PolarHBondContact O-N 2.94Å; L178-M181 PolarHBondContact O-N 3.5Å; M181-N184 PolarHBondContact O-N 2.96Å; M181-W185 WeakPolarHBondContact O-CB 3.44Å; M181-W185 PolarHBondContact O-N 3.14Å |
| 182 | E | 96.7 | Very high | 96.5 | Very high | 128 Ų | 128 | 90.8 Ų | 90.8 | 60% | 0.598 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -62.7 | -47.1 | 175.3 | -174.7 | 179.9 | -168.2 | 0 | 0 | 111.3 | L178 R179 E180 N184 W185 V186 | L178-E182 WeakPolarHBondContact O-CB 3.39Å; L178-E182 PolarHBondContact O-N 2.91Å; R179-E182 PolarHBondContact O-N 3.1Å; E180-E182 VanDerWaalsContact C-N 3.35Å; E180-E182 PolarHBondContact O-N 2.69Å; E182-N184 VanDerWaalsContact C-N 3.33Å; E182-N184 PolarHBondContact O-N 2.92Å; E182-W185 WeakPolarHBondContact O-CB 3.24Å; E182-W185 PolarHBondContact O-N 3.36Å; E182-V186 WeakPolarHBondContact O-CG2 3.32Å; E182-V186 PolarHBondContact O-N 3.15Å |
| 183 | S | 97.4 | Very high | 96.6 | Very high | 76 Ų | 76 | 94.7 Ų | 94.7 | 53% | 0.531 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.1 | -42.2 | 176.4 | -175.6 | 0 | 0 | 0 | 0 | 112.1 | R179 E180 W185 V186 S187 | R179-S183 WeakPolarHBondContact O-CB 3.47Å; R179-S183 PolarHBondContact O-N 3.39Å; E180-S183 PolarHBondContact O-N 3.36Å; S183-W185 VanDerWaalsContact C-N 3.33Å; S183-V186 PolarHBondContact O-N 3.48Å; S183-S187 WeakPolarHBondContact O-CB 3.44Å; S183-S187 PolarHBondContact O-N 2.65Å |
| 184 | N | 97.9 | Very high | 96.7 | Very high | 82 Ų | 82 | 96.6 Ų | 96.6 | 44% | 0.439 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64 | -41.3 | 176.2 | -72.8 | -19.7 | 0 | 0 | 0 | 111.1 | E180 M181 E182 S187 L188 | E180-N184 WeakPolarHBondContact O-CB 3.45Å; E180-N184 VanDerWaalsContact O-CG 3.23Å; E180-N184 PolarHBondContact O-N 3.38Å; E180-N184 PolarHBondContact O-ND2 3.31Å; M181-N184 PolarHBondContact O-N 2.96Å; E182-N184 VanDerWaalsContact C-N 3.33Å; E182-N184 PolarHBondContact O-N 2.92Å; N184-S187 PolarHBondContact O-N 3.11Å; N184-L188 WeakPolarHBondContact O-CB 3.32Å; N184-L188 VanDerWaalsContact O-CG 3.24Å; N184-L188 WeakPolarHBondContact O-CG 3.46Å; N184-L188 PolarHBondContact O-N 2.94Å |
| 185 | W | 98.2 | Very high | 96.9 | Very high | 167 Ų | 167 | 98.3 Ų | 98.3 | 63% | 0.633 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -62.1 | -49.3 | 175.5 | 177.1 | 83.1 | 0 | 0 | 0 | 111.7 | M181 E182 S183 S187 L188 V189 | M181-W185 WeakPolarHBondContact O-CB 3.44Å; M181-W185 PolarHBondContact O-N 3.14Å; E182-W185 WeakPolarHBondContact O-CB 3.24Å; E182-W185 PolarHBondContact O-N 3.36Å; S183-W185 VanDerWaalsContact C-N 3.33Å; W185-S187 VanDerWaalsContact C-N 3.29Å; W185-S187 PolarHBondContact O-N 2.97Å; W185-L188 PolarHBondContact O-N 3.39Å; W185-V189 HydrophobicContact CD2-CG2 4.1Å; W185-V189 HydrophobicContact CG-CG2 4.46Å; W185-V189 HydrophobicContact CZ2-CG2 3.9Å; W185-V189 WeakPolarHBondContact O-CB 3.34Å; W185-V189 VanDerWaalsContact O-CG2 3.31Å; W185-V189 WeakPolarHBondContact O-CG2 3.4Å; W185-V189 PolarHBondContact O-N 3.33Å |
| 186 | V | 98.1 | Very high | 97 | Very high | 68 Ų | 68 | 104.2 Ų | 104.2 | 41% | 0.412 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -57.8 | -44.1 | 176.4 | 173.3 | 0 | 0 | 0 | 0 | 110.8 | E182 S183 V189 S190 | E182-V186 WeakPolarHBondContact O-CG2 3.32Å; E182-V186 PolarHBondContact O-N 3.15Å; S183-V186 PolarHBondContact O-N 3.48Å; V186-V189 PolarHBondContact O-N 3.4Å; V186-S190 VanDerWaalsContact O-CB 3.28Å; V186-S190 WeakPolarHBondContact O-CB 3.48Å; V186-S190 PolarHBondContact O-N 2.88Å; V186-S190 PolarHBondContact O-OG 3.42Å |
| 187 | S | 97.8 | Very high | 97.2 | Very high | 73 Ų | 73 | 107.8 Ų | 107.8 | 51% | 0.51 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.9 | -46.5 | 178 | -179.9 | 0 | 0 | 0 | 0 | 112.2 | S183 N184 W185 S190 K191 | S183-S187 WeakPolarHBondContact O-CB 3.44Å; S183-S187 PolarHBondContact O-N 2.65Å; N184-S187 PolarHBondContact O-N 3.11Å; W185-S187 VanDerWaalsContact C-N 3.29Å; W185-S187 PolarHBondContact O-N 2.97Å; S187-S190 PolarHBondContact O-N 3.3Å; S187-K191 VanDerWaalsContact O-CB 3.28Å; S187-K191 WeakPolarHBondContact O-CB 3.42Å; S187-K191 PolarHBondContact O-N 2.91Å |
| 188 | L | 97.9 | Very high | 97.2 | Very high | 106 Ų | 106 | 105 Ų | 105 | 56% | 0.555 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64 | -43.6 | 178 | -72.8 | 171.1 | 0 | 0 | 0 | 112.1 | N184 W185 K191 N192 | N184-L188 WeakPolarHBondContact O-CB 3.32Å; N184-L188 VanDerWaalsContact O-CG 3.24Å; N184-L188 WeakPolarHBondContact O-CG 3.46Å; N184-L188 PolarHBondContact O-N 2.94Å; W185-L188 PolarHBondContact O-N 3.39Å; L188-K191 PolarHBondContact O-N 3.37Å; L188-N192 WeakPolarHBondContact O-CB 3.49Å; L188-N192 PolarHBondContact O-N 2.86Å |
| 189 | V | 97.8 | Very high | 97.3 | Very high | 67 Ų | 67 | 104.6 Ų | 104.6 | 41% | 0.406 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.5 | -44.8 | 176.6 | 172.5 | 0 | 0 | 0 | 0 | 110.7 | W185 V186 K191 N192 Y193 | W185-V189 HydrophobicContact CD2-CG2 4.1Å; W185-V189 HydrophobicContact CG-CG2 4.46Å; W185-V189 HydrophobicContact CZ2-CG2 3.9Å; W185-V189 WeakPolarHBondContact O-CB 3.34Å; W185-V189 VanDerWaalsContact O-CG2 3.31Å; W185-V189 WeakPolarHBondContact O-CG2 3.4Å; W185-V189 PolarHBondContact O-N 3.33Å; V186-V189 PolarHBondContact O-N 3.4Å; V189-K191 PolarHBondContact O-N 3.18Å; V189-N192 PolarHBondContact O-N 3.49Å; V189-Y193 WeakPolarHBondContact O-CB 3.5Å; V189-Y193 PolarHBondContact O-N 2.9Å |
| 190 | S | 97.5 | Very high | 97.5 | Very high | 54 Ų | 54 | 100.5 Ų | 100.5 | 38% | 0.378 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.7 | -43.7 | 178.2 | -56.8 | 0 | 0 | 0 | 0 | 111.4 | V186 S187 Y193 E194 | V186-S190 VanDerWaalsContact O-CB 3.28Å; V186-S190 WeakPolarHBondContact O-CB 3.48Å; V186-S190 PolarHBondContact O-N 2.88Å; V186-S190 PolarHBondContact O-OG 3.42Å; S187-S190 PolarHBondContact O-N 3.3Å; S190-Y193 WeakPolarHBondContact O-CB 3.49Å; S190-Y193 PolarHBondContact O-N 3.05Å; S190-E194 WeakPolarHBondContact O-CG 3.35Å; S190-E194 PolarHBondContact O-N 3.47Å |
| 191 | K | 97.8 | Very high | 97.4 | Very high | 124 Ų | 124 | 99.2 Ų | 99.2 | 54% | 0.539 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.4 | -42.1 | 177.3 | -174.2 | 171.4 | -177.3 | 176.9 | 0 | 112.2 | S187 L188 V189 Y193 E194 I195 | S187-K191 VanDerWaalsContact O-CB 3.28Å; S187-K191 WeakPolarHBondContact O-CB 3.42Å; S187-K191 PolarHBondContact O-N 2.91Å; L188-K191 PolarHBondContact O-N 3.37Å; V189-K191 PolarHBondContact O-N 3.18Å; K191-Y193 VanDerWaalsContact C-N 3.3Å; K191-Y193 PolarHBondContact O-N 3.45Å; K191-E194 PolarHBondContact O-N 2.95Å; K191-I195 HydrophobicContact CG-CD1 4.06Å; K191-I195 WeakPolarHBondContact O-CD1 3.34Å; K191-I195 VanDerWaalsContact O-CG1 3.23Å; K191-I195 WeakPolarHBondContact O-CG1 3.46Å; K191-I195 PolarHBondContact O-N 2.94Å |
| 192 | N | 97.8 | Very high | 97.3 | Very high | 96 Ų | 96 | 98.6 Ų | 98.6 | 51% | 0.513 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.7 | -43.5 | 174.2 | -77.1 | -12.3 | 0 | 0 | 0 | 111 | L188 V189 E194 I195 E196 | L188-N192 WeakPolarHBondContact O-CB 3.49Å; L188-N192 PolarHBondContact O-N 2.86Å; V189-N192 PolarHBondContact O-N 3.49Å; N192-E194 PolarHBondContact O-N 3.3Å; N192-I195 PolarHBondContact O-N 3.36Å; N192-E196 WeakPolarHBondContact O-CG 3.47Å; N192-E196 PolarHBondContact O-N 3.4Å |
| 193 | Y | 97.4 | Very high | 97.3 | Very high | 154 Ų | 154 | 98.1 Ų | 98.1 | 60% | 0.604 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.9 | -41.3 | 176.4 | -178.2 | -101.1 | 0 | 0 | 0 | 112.9 | V189 S190 K191 I195 E196 R197 | V189-Y193 WeakPolarHBondContact O-CB 3.5Å; V189-Y193 PolarHBondContact O-N 2.9Å; S190-Y193 WeakPolarHBondContact O-CB 3.49Å; S190-Y193 PolarHBondContact O-N 3.05Å; K191-Y193 VanDerWaalsContact C-N 3.3Å; K191-Y193 PolarHBondContact O-N 3.45Å; Y193-I195 VanDerWaalsContact C-N 3.34Å; Y193-E196 PolarHBondContact O-N 3.36Å; Y193-R197 WeakPolarHBondContact O-CB 3.49Å; Y193-R197 PolarHBondContact O-N 3.35Å |
| 194 | E | 97.3 | Very high | 97.1 | Very high | 125 Ų | 125 | 98.9 Ų | 98.9 | 58% | 0.584 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.6 | -40.5 | 174.4 | -74.1 | 173.5 | -175.8 | 0 | 0 | 112.1 | S190 K191 N192 R197 T198 | S190-E194 WeakPolarHBondContact O-CG 3.35Å; S190-E194 PolarHBondContact O-N 3.47Å; K191-E194 PolarHBondContact O-N 2.95Å; N192-E194 PolarHBondContact O-N 3.3Å; E194-R197 PolarHBondContact O-N 3.47Å; E194-T198 WeakPolarHBondContact O-CB 3.5Å; E194-T198 WeakPolarHBondContact O-CG2 3.47Å; E194-T198 PolarHBondContact O-N 2.97Å; E194-T198 PolarHBondContact O-OG1 3.49Å |
| 195 | I | 97.3 | Very high | 96.9 | Very high | 77 Ų | 77 | 100 Ų | 100 | 40% | 0.395 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.8 | -49.2 | 175.6 | -68.9 | 165 | 0 | 0 | 0 | 110.2 | K191 N192 Y193 R197 T198 I199 | K191-I195 HydrophobicContact CG-CD1 4.06Å; K191-I195 WeakPolarHBondContact O-CD1 3.34Å; K191-I195 VanDerWaalsContact O-CG1 3.23Å; K191-I195 WeakPolarHBondContact O-CG1 3.46Å; K191-I195 PolarHBondContact O-N 2.94Å; N192-I195 PolarHBondContact O-N 3.36Å; Y193-I195 VanDerWaalsContact C-N 3.34Å; I195-R197 VanDerWaalsContact C-N 3.32Å; I195-R197 PolarHBondContact O-N 3.07Å; I195-T198 WeakPolarHBondContact CA-OG1 3.37Å; I195-T198 PolarHBondContact O-N 3.12Å; I195-T198 PolarHBondContact O-OG1 2.92Å; I195-I199 HydrophobicContact CG2-CD1 3.72Å; I195-I199 HydrophobicContact CG2-CG1 4.38Å; I195-I199 VanDerWaalsContact O-CG1 3.26Å; I195-I199 WeakPolarHBondContact O-CG1 3.42Å; I195-I199 PolarHBondContact O-N 3.37Å |
| 196 | E | 96.9 | Very high | 96.7 | Very high | 125 Ų | 125 | 96.2 Ų | 96.2 | 58% | 0.584 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -59.4 | -43.6 | 177.6 | -74.3 | -180 | -175.3 | 0 | 0 | 111.7 | N192 Y193 T198 I199 V200 | N192-E196 WeakPolarHBondContact O-CG 3.47Å; N192-E196 PolarHBondContact O-N 3.4Å; Y193-E196 PolarHBondContact O-N 3.36Å; E196-T198 PolarHBondContact O-N 3.18Å; E196-I199 PolarHBondContact O-N 2.78Å; E196-V200 WeakPolarHBondContact O-CG2 3.47Å; E196-V200 PolarHBondContact O-N 3.25Å |
| 197 | R | 97.4 | Very high | 96.4 | Very high | 150 Ų | 150 | 96.6 Ų | 96.6 | 57% | 0.566 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -61.4 | -44.4 | 176.7 | -179.6 | -178.6 | 173 | -174.6 | 0.6 | 112.2 | Y193 E194 I195 V200 Q201 | Y193-R197 WeakPolarHBondContact O-CB 3.49Å; Y193-R197 PolarHBondContact O-N 3.35Å; E194-R197 PolarHBondContact O-N 3.47Å; I195-R197 VanDerWaalsContact C-N 3.32Å; I195-R197 PolarHBondContact O-N 3.07Å; R197-V200 PolarHBondContact O-N 3.4Å; R197-Q201 WeakPolarHBondContact O-CG 3.46Å; R197-Q201 PolarHBondContact O-N 2.91Å |
| 198 | T | 97.1 | Very high | 96 | Very high | 65 Ų | 65 | 98.7 Ų | 98.7 | 40% | 0.399 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -68.9 | -36.2 | 179.3 | 45 | 0 | 0 | 0 | 0 | 111.9 | E194 I195 E196 Q201 L202 | E194-T198 WeakPolarHBondContact O-CB 3.5Å; E194-T198 WeakPolarHBondContact O-CG2 3.47Å; E194-T198 PolarHBondContact O-N 2.97Å; E194-T198 PolarHBondContact O-OG1 3.49Å; I195-T198 WeakPolarHBondContact CA-OG1 3.37Å; I195-T198 PolarHBondContact O-N 3.12Å; I195-T198 PolarHBondContact O-OG1 2.92Å; E196-T198 PolarHBondContact O-N 3.18Å; T198-Q201 PolarHBondContact O-N 3.43Å; T198-L202 WeakPolarHBondContact O-CB 3.35Å; T198-L202 VanDerWaalsContact O-CG 3.29Å; T198-L202 WeakPolarHBondContact O-CG 3.37Å; T198-L202 PolarHBondContact O-N 3.28Å |
| 199 | I | 96.8 | Very high | 95.7 | Very high | 80 Ų | 80 | 98.2 Ų | 98.2 | 41% | 0.41 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -58.9 | -49.7 | 171.7 | -69.9 | 166.4 | 0 | 0 | 0 | 110.4 | I195 E196 Q201 L202 E203 | I195-I199 HydrophobicContact CG2-CD1 3.72Å; I195-I199 HydrophobicContact CG2-CG1 4.38Å; I195-I199 VanDerWaalsContact O-CG1 3.26Å; I195-I199 WeakPolarHBondContact O-CG1 3.42Å; I195-I199 PolarHBondContact O-N 3.37Å; E196-I199 PolarHBondContact O-N 2.78Å; I199-Q201 VanDerWaalsContact C-N 3.3Å; I199-Q201 PolarHBondContact O-N 3.25Å; I199-L202 PolarHBondContact O-N 2.96Å; I199-E203 HydrophobicContact CG2-CG 4.27Å; I199-E203 WeakPolarHBondContact O-CB 3.25Å; I199-E203 WeakPolarHBondContact O-CG 3.5Å; I199-E203 PolarHBondContact O-N 3.2Å |
| 200 | V | 97 | Very high | 95.2 | Very high | 76 Ų | 76 | 102.2 Ų | 102.2 | 46% | 0.461 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.2 | -38.6 | 178.8 | 171.8 | 0 | 0 | 0 | 0 | 111.8 | E196 R197 N204 | E196-V200 WeakPolarHBondContact O-CG2 3.47Å; E196-V200 PolarHBondContact O-N 3.25Å; R197-V200 PolarHBondContact O-N 3.4Å; V200-N204 PolarHBondContact O-N 2.89Å; V200-N204 VanDerWaalsContact O-N 3.09Å; V200-N204 PolarHBondContact O-ND2 3.48Å |
| 201 | Q | 96 | Very high | 94.5 | Very high | 84 Ų | 84 | 105.2 Ų | 105.2 | 39% | 0.393 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.7 | -47.3 | 175 | -73.9 | 174.4 | -23.9 | 0 | 0 | 111.6 | R197 T198 I199 E203 N204 E205 | R197-Q201 WeakPolarHBondContact O-CG 3.46Å; R197-Q201 PolarHBondContact O-N 2.91Å; T198-Q201 PolarHBondContact O-N 3.43Å; I199-Q201 VanDerWaalsContact C-N 3.3Å; I199-Q201 PolarHBondContact O-N 3.25Å; Q201-E203 PolarHBondContact O-N 3.25Å; Q201-N204 WeakPolarHBondContact O-CB 3.41Å; Q201-N204 PolarHBondContact O-N 3.44Å; Q201-E205 WeakPolarHBondContact O-CG 3.44Å; Q201-E205 PolarHBondContact O-N 3.25Å |
| 202 | L | 95.9 | Very high | 93.6 | Very high | 94 Ų | 94 | 105.3 Ų | 105.3 | 49% | 0.492 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.7 | -39.4 | 177.7 | -71.6 | 169.7 | 0 | 0 | 0 | 112.2 | T198 I199 N204 E205 I206 | T198-L202 WeakPolarHBondContact O-CB 3.35Å; T198-L202 VanDerWaalsContact O-CG 3.29Å; T198-L202 WeakPolarHBondContact O-CG 3.37Å; T198-L202 PolarHBondContact O-N 3.28Å; I199-L202 PolarHBondContact O-N 2.96Å; L202-N204 VanDerWaalsContact C-N 3.33Å; L202-N204 PolarHBondContact O-N 3.46Å; L202-E205 PolarHBondContact O-N 3.09Å; L202-I206 WeakPolarHBondContact O-CB 3.32Å; L202-I206 WeakPolarHBondContact O-CG1 3.32Å; L202-I206 PolarHBondContact O-N 3.37Å |
| 203 | E | 95 | Very high | 92.6 | Very high | 118 Ų | 118 | 107.5 Ų | 107.5 | 55% | 0.551 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.7 | -41.5 | 174.9 | -75.2 | 178.8 | 165 | 0 | 0 | 111.7 | I199 Q201 I206 C207 | I199-E203 HydrophobicContact CG2-CG 4.27Å; I199-E203 WeakPolarHBondContact O-CB 3.25Å; I199-E203 WeakPolarHBondContact O-CG 3.5Å; I199-E203 PolarHBondContact O-N 3.2Å; Q201-E203 PolarHBondContact O-N 3.25Å; E203-I206 PolarHBondContact O-N 2.96Å; E203-C207 WeakPolarHBondContact O-CB 3.23Å; E203-C207 PolarHBondContact O-N 2.94Å |
| 204 | N | 94.2 | Very high | 91.4 | Very high | 91 Ų | 91 | 101.7 Ų | 101.7 | 49% | 0.487 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.2 | -44.1 | 174.6 | -74.9 | -40.7 | 0 | 0 | 0 | 112 | V200 Q201 L202 C207 Q208 | V200-N204 PolarHBondContact O-N 2.89Å; V200-N204 VanDerWaalsContact O-N 3.09Å; V200-N204 PolarHBondContact O-ND2 3.48Å; Q201-N204 WeakPolarHBondContact O-CB 3.41Å; Q201-N204 PolarHBondContact O-N 3.44Å; L202-N204 VanDerWaalsContact C-N 3.33Å; L202-N204 PolarHBondContact O-N 3.46Å; N204-C207 WeakPolarHBondContact O-CB 3.33Å; N204-C207 PolarHBondContact O-N 3.33Å; N204-Q208 WeakPolarHBondContact O-CG 3.49Å; N204-Q208 PolarHBondContact O-N 3.39Å |
| 205 | E | 94 | Very high | 89.9 | Confident | 105 Ų | 105 | 100.7 Ų | 100.7 | 49% | 0.491 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.1 | -44.8 | 175.6 | -72.8 | 174 | -166.5 | 0 | 0 | 111.5 | Q201 L202 C207 Q208 I209 | Q201-E205 WeakPolarHBondContact O-CG 3.44Å; Q201-E205 PolarHBondContact O-N 3.25Å; L202-E205 PolarHBondContact O-N 3.09Å; E205-C207 VanDerWaalsContact C-N 3.3Å; E205-C207 PolarHBondContact O-N 2.78Å; E205-Q208 PolarHBondContact O-N 2.99Å; E205-I209 WeakPolarHBondContact O-CG1 3.47Å; E205-I209 PolarHBondContact O-N 3.17Å |
| 206 | I | 93.1 | Very high | 88.4 | Confident | 88 Ų | 88 | 99 Ų | 99 | 45% | 0.451 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.6 | -41.3 | 175.2 | -70.4 | 166.4 | 0 | 0 | 0 | 110.7 | L202 E203 I209 K210 | L202-I206 WeakPolarHBondContact O-CB 3.32Å; L202-I206 WeakPolarHBondContact O-CG1 3.32Å; L202-I206 PolarHBondContact O-N 3.37Å; E203-I206 PolarHBondContact O-N 2.96Å; I206-I209 PolarHBondContact O-N 2.78Å; I206-K210 HydrophobicContact CG2-CD 4.16Å; I206-K210 HydrophobicContact CG2-CG 4.5Å; I206-K210 WeakPolarHBondContact O-CB 3.42Å; I206-K210 WeakPolarHBondContact O-CG 3.07Å; I206-K210 PolarHBondContact O-N 3.44Å |
| 207 | C | 91.6 | Very high | 86.8 | Confident | 76 Ų | 76 | 97.8 Ų | 97.8 | 51% | 0.514 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.3 | -44.1 | 176.7 | -167 | 0 | 0 | 0 | 0 | 111.6 | E203 N204 E205 K210 Q211 | E203-C207 WeakPolarHBondContact O-CB 3.23Å; E203-C207 PolarHBondContact O-N 2.94Å; N204-C207 WeakPolarHBondContact O-CB 3.33Å; N204-C207 PolarHBondContact O-N 3.33Å; E205-C207 VanDerWaalsContact C-N 3.3Å; E205-C207 PolarHBondContact O-N 2.78Å; C207-K210 PolarHBondContact O-N 3.15Å; C207-Q211 PolarHBondContact O-N 3.44Å |
| 208 | Q | 91.1 | Very high | 85 | Confident | 118 Ų | 118 | 97.6 Ų | 97.6 | 55% | 0.551 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.4 | -45.8 | 176.6 | -71.1 | 175.1 | 16.8 | 0 | 0 | 112.1 | N204 E205 K210 Q211 Q212 | N204-Q208 WeakPolarHBondContact O-CG 3.49Å; N204-Q208 PolarHBondContact O-N 3.39Å; E205-Q208 PolarHBondContact O-N 2.99Å; Q208-K210 PolarHBondContact O-N 2.96Å; Q208-Q211 PolarHBondContact O-N 2.82Å; Q208-Q212 WeakPolarHBondContact O-CG 3.3Å; Q208-Q212 PolarHBondContact O-N 3.34Å |
| 209 | I | 90.3 | Very high | 83.3 | Confident | 95 Ų | 95 | 100.8 Ų | 100.8 | 49% | 0.487 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.4 | -44.6 | 177.9 | -68.1 | 167.3 | 0 | 0 | 0 | 110.5 | E205 I206 Q211 Q212 H213 | E205-I209 WeakPolarHBondContact O-CG1 3.47Å; E205-I209 PolarHBondContact O-N 3.17Å; I206-I209 PolarHBondContact O-N 2.78Å; I209-Q211 VanDerWaalsContact C-N 3.27Å; I209-Q211 PolarHBondContact O-N 3.49Å; I209-Q212 PolarHBondContact O-N 3.16Å; I209-H213 WeakPolarHBondContact O-CB 3.41Å; I209-H213 PolarHBondContact O-N 2.95Å |
| 210 | K | 87.5 | Confident | 81.4 | Confident | 151 Ų | 151 | 101.4 Ų | 101.4 | 66% | 0.657 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60 | -38 | 176.3 | -77.5 | 178.4 | 179.5 | 177.5 | 0 | 112.2 | I206 C207 Q208 G214 | I206-K210 HydrophobicContact CG2-CD 4.16Å; I206-K210 HydrophobicContact CG2-CG 4.5Å; I206-K210 WeakPolarHBondContact O-CB 3.42Å; I206-K210 WeakPolarHBondContact O-CG 3.07Å; I206-K210 PolarHBondContact O-N 3.44Å; C207-K210 PolarHBondContact O-N 3.15Å; Q208-K210 PolarHBondContact O-N 2.96Å; K210-G214 PolarHBondContact O-N 2.95Å |
| 211 | Q | 82.5 | Confident | 79.6 | Confident | 117 Ų | 117 | 102.3 Ų | 102.3 | 55% | 0.547 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68 | -47.7 | 177.3 | -170.3 | 167.5 | -6.5 | 0 | 0 | 111.7 | C207 Q208 I209 H213 G214 E215 | C207-Q211 PolarHBondContact O-N 3.44Å; Q208-Q211 PolarHBondContact O-N 2.82Å; I209-Q211 VanDerWaalsContact C-N 3.27Å; I209-Q211 PolarHBondContact O-N 3.49Å; Q211-H213 PolarHBondContact O-N 2.71Å; Q211-G214 PolarHBondContact O-N 2.8Å; Q211-E215 WeakPolarHBondContact O-CG 3.44Å; Q211-E215 PolarHBondContact O-N 3.17Å |
| 212 | Q | 80.4 | Confident | 77.7 | Confident | 127 Ų | 127 | 108.1 Ų | 108.1 | 59% | 0.593 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -60.1 | -42.7 | 175.8 | -71.4 | 177.3 | -3.9 | 0 | 0 | 112.4 | Q208 I209 G214 E215 A216 | Q208-Q212 WeakPolarHBondContact O-CG 3.3Å; Q208-Q212 PolarHBondContact O-N 3.34Å; I209-Q212 PolarHBondContact O-N 3.16Å; Q212-G214 VanDerWaalsContact C-N 3.34Å; Q212-G214 PolarHBondContact O-N 2.91Å; Q212-E215 PolarHBondContact O-N 2.99Å; Q212-A216 WeakPolarHBondContact O-CB 3.43Å; Q212-A216 PolarHBondContact O-N 3.19Å |
| 213 | H | 75.1 | Confident | 75.6 | Confident | 141 Ų | 141 | 111 Ų | 111 | 65% | 0.653 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -66.4 | -37.8 | 177.1 | -125.6 | -38.3 | 0 | 0 | 0 | 111.9 | I209 Q211 N217 | I209-H213 WeakPolarHBondContact O-CB 3.41Å; I209-H213 PolarHBondContact O-N 2.95Å; Q211-H213 PolarHBondContact O-N 2.71Å; H213-N217 WeakPolarHBondContact O-CB 3.35Å; H213-N217 PolarHBondContact O-N 2.9Å |
| 214 | G | 72.3 | Confident | 73.4 | Confident | 33 Ų | 33 | 112.2 Ų | 112.2 | 34% | 0.34 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -67 | -33.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | K210 Q211 Q212 K218 | K210-G214 PolarHBondContact O-N 2.95Å; Q211-G214 PolarHBondContact O-N 2.8Å; Q212-G214 VanDerWaalsContact C-N 3.34Å; Q212-G214 PolarHBondContact O-N 2.91Å; G214-K218 WeakPolarHBondContact O-CD 3.24Å; G214-K218 VanDerWaalsContact O-CG 3.24Å; G214-K218 WeakPolarHBondContact O-CG 3.42Å; G214-K218 PolarHBondContact O-N 3.09Å |
| 215 | E | 67.2 | Low | 71 | Confident | 103 Ų | 103 | 118.9 Ų | 118.9 | 48% | 0.481 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -72 | -46.8 | 173.7 | -73.8 | 172.4 | -174.1 | 0 | 0 | 111.6 | Q211 Q212 N217 K218 E219 | Q211-E215 WeakPolarHBondContact O-CG 3.44Å; Q211-E215 PolarHBondContact O-N 3.17Å; Q212-E215 PolarHBondContact O-N 2.99Å; E215-N217 VanDerWaalsContact C-N 3.3Å; E215-N217 PolarHBondContact O-N 3.37Å; E215-K218 WeakPolarHBondContact O-CB 3.47Å; E215-K218 PolarHBondContact O-N 3.49Å; E215-K218 VanDerWaalsContact O-N 3.07Å; E215-E219 PolarHBondContact O-N 3Å |
| 216 | A | 64.8 | Low | 69.9 | Low | 42 Ų | 42 | 119.6 Ų | 119.6 | 35% | 0.347 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -60.3 | -38 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q212 K218 E219 N220 | Q212-A216 WeakPolarHBondContact O-CB 3.43Å; Q212-A216 PolarHBondContact O-N 3.19Å; A216-K218 VanDerWaalsContact C-N 3.34Å; A216-E219 PolarHBondContact O-N 3.17Å; A216-N220 PolarHBondContact O-N 2.92Å |
| 217 | N | 62.7 | Low | 68.6 | Low | 100 Ų | 100 | 121.2 Ų | 121.2 | 54% | 0.535 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -69.2 | -33.2 | 176.4 | -146.2 | 22.1 | 0 | 0 | 0 | 111.8 | H213 E215 I221 | H213-N217 WeakPolarHBondContact O-CB 3.35Å; H213-N217 PolarHBondContact O-N 2.9Å; E215-N217 VanDerWaalsContact C-N 3.3Å; E215-N217 PolarHBondContact O-N 3.37Å; N217-I221 VanDerWaalsContact O-CD1 3.31Å; N217-I221 WeakPolarHBondContact O-CD1 3.41Å; N217-I221 WeakPolarHBondContact O-CG1 3.34Å; N217-I221 PolarHBondContact O-N 3.36Å; N217-I221 VanDerWaalsContact O-N 3.15Å |
| 218 | K | 61.3 | Low | 67.4 | Low | 146 Ų | 146 | 123.7 Ų | 123.7 | 64% | 0.635 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -71.9 | -34.1 | 173.3 | -74.2 | 170.3 | -176.9 | 176.8 | 0 | 112.7 | G214 E215 A216 R222 | G214-K218 WeakPolarHBondContact O-CD 3.24Å; G214-K218 VanDerWaalsContact O-CG 3.24Å; G214-K218 WeakPolarHBondContact O-CG 3.42Å; G214-K218 PolarHBondContact O-N 3.09Å; E215-K218 WeakPolarHBondContact O-CB 3.47Å; E215-K218 PolarHBondContact O-N 3.49Å; E215-K218 VanDerWaalsContact O-N 3.07Å; A216-K218 VanDerWaalsContact C-N 3.34Å; K218-R222 WeakPolarHBondContact O-CG 3.27Å; K218-R222 PolarHBondContact O-N 3.43Å; K218-R222 VanDerWaalsContact O-N 3.15Å |
| 219 | E | 60.5 | Low | 66 | Low | 131 Ų | 131 | 124.1 Ų | 124.1 | 61% | 0.612 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -69.8 | -43 | 174.3 | -77.7 | -172.1 | 155.3 | 0 | 0 | 112.3 | E215 A216 I221 R222 Q223 | E215-E219 PolarHBondContact O-N 3Å; A216-E219 PolarHBondContact O-N 3.17Å; E219-I221 PolarHBondContact O-N 2.95Å; E219-R222 PolarHBondContact O-N 2.87Å; E219-Q223 PolarHBondContact O-N 3.24Å |
| 220 | N | 57.9 | Low | 64.4 | Low | 93 Ų | 93 | 125.9 Ų | 125.9 | 50% | 0.497 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -59.8 | -45.1 | 173.4 | -83.8 | -17.8 | 0 | 0 | 0 | 111.7 | A216 R222 Q223 D224 | A216-N220 PolarHBondContact O-N 2.92Å; N220-R222 PolarHBondContact O-N 2.8Å; N220-Q223 PolarHBondContact O-N 3.5Å; N220-Q223 VanDerWaalsContact O-N 3.14Å; N220-D224 PolarHBondContact O-N 2.99Å |
| 221 | I | 58.3 | Low | 62.9 | Low | 96 Ų | 96 | 124.2 Ų | 124.2 | 49% | 0.492 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -62.2 | -28.3 | 175.5 | -66.6 | 165.3 | 0 | 0 | 0 | 111.6 | N217 E219 F225 | N217-I221 VanDerWaalsContact O-CD1 3.31Å; N217-I221 WeakPolarHBondContact O-CD1 3.41Å; N217-I221 WeakPolarHBondContact O-CG1 3.34Å; N217-I221 PolarHBondContact O-N 3.36Å; N217-I221 VanDerWaalsContact O-N 3.15Å; E219-I221 PolarHBondContact O-N 2.95Å; I221-F225 HydrophobicContact CG2-CE2 4.27Å; I221-F225 VanDerWaalsContact O-CD2 3.24Å; I221-F225 WeakPolarHBondContact O-CD2 3.27Å |
| 222 | R | 55.3 | Low | 61.5 | Low | 206 Ų | 206 | 124.7 Ų | 124.7 | 78% | 0.777 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -81.8 | -19.4 | 176.6 | -82.6 | -179.5 | 173.9 | -179.1 | -1.5 | 114.5 | K218 E219 N220 | K218-R222 WeakPolarHBondContact O-CG 3.27Å; K218-R222 PolarHBondContact O-N 3.43Å; K218-R222 VanDerWaalsContact O-N 3.15Å; E219-R222 PolarHBondContact O-N 2.87Å; N220-R222 PolarHBondContact O-N 2.8Å |
| 223 | Q | 51.8 | Low | 60 | Low | 154 Ų | 154 | 124.5 Ų | 124.5 | 72% | 0.72 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -86.9 | -20.1 | 176.1 | -74.1 | -174.4 | -8.3 | 0 | 0 | 112.9 | E219 N220 F225 | E219-Q223 PolarHBondContact O-N 3.24Å; N220-Q223 PolarHBondContact O-N 3.5Å; N220-Q223 VanDerWaalsContact O-N 3.14Å; Q223-F225 VanDerWaalsContact C-N 3.34Å |
| 224 | D | 49.6 | Very low | 58.8 | Low | 143 Ų | 143 | 123.2 Ų | 123.2 | 77% | 0.765 | 60% | 0.601 | S | S | * | * | trans | -88.4 | 7.6 | 178.8 | -75 | -26.4 | 0 | 0 | 0 | 114.3 | N220 | N220-D224 PolarHBondContact O-N 2.99Š| ||
| 225 | F | 44 | Very low | 57.6 | Low | 231 Ų | 231 | 131.4 Ų | 131.4 | 100% | 1.013 | 63% | 0.625 | S | S | * | * | trans | -122.3 | 0 | 170.1 | -73.5 | -77.2 | 0 | 0 | 0 | 110.9 | I221 Q223 | I221-F225 HydrophobicContact CG2-CE2 4.27Å; I221-F225 VanDerWaalsContact O-CD2 3.24Å; I221-F225 WeakPolarHBondContact O-CD2 3.27Å; Q223-F225 VanDerWaalsContact C-N 3.34Å |
Retrieved 225 of 225 residues in 63.8 ms
(Link to these results)