| 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 | 37.6 | Very low | 43.6 | Very low | 249 Ų | 249 | 122.7 Ų | 122.7 | 100% | 1.227 | 79% | 0.788 | S | S | * | * | 0 | 73.7 | 0 | -68.7 | -95.1 | -111 | 0 | 0 | 108 | |||||
| 2 | S | 38.1 | Very low | 45.3 | Very low | 116 Ų | 116 | 126.9 Ų | 126.9 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | trans | -106.2 | 114.1 | 169.9 | 60.7 | 0 | 0 | 0 | 0 | 106.8 | T4 | S2-T4 PolarHBondContact O-N 3.16Š| ||
| 3 | G | 36.3 | Very low | 47.4 | Very low | 70 Ų | 70 | 126.5 Ų | 126.5 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | trans | -57.2 | 128.7 | -177 | 0 | 0 | 0 | 0 | 0 | 111.3 | S5 | G3-S5 VanDerWaalsContact C-N 3.31Å; G3-S5 PolarHBondContact O-N 3.03Å | ||
| 4 | T | 38.9 | Very low | 49.5 | Very low | 141 Ų | 141 | 124.1 Ų | 124.1 | 87% | 0.865 | 76% | 0.762 | S | S | * | * | trans | -58.1 | 97.2 | 157.7 | 44.9 | 0 | 0 | 0 | 0 | 107.3 | S2 S6 | S2-T4 PolarHBondContact O-N 3.16Å; T4-S6 PolarHBondContact O-N 3.11Å | ||
| 5 | S | 40.5 | Very low | 51.8 | Low | 110 Ų | 110 | 119.3 Ų | 119.3 | 77% | 0.769 | 74% | 0.739 | S | S | * | * | trans | -63.7 | 104.5 | 168 | -74.8 | 0 | 0 | 0 | 0 | 107.2 | G3 V7 | G3-S5 VanDerWaalsContact C-N 3.31Å; G3-S5 PolarHBondContact O-N 3.03Å; S5-V7 PolarHBondContact O-N 3.04Å | ||
| 6 | S | 46.6 | Very low | 54.2 | Low | 89 Ų | 89 | 112.9 Ų | 112.9 | 62% | 0.622 | 70% | 0.699 | S | S | * | * | trans | -52.2 | 111.7 | 166.3 | 177.4 | 0 | 0 | 0 | 0 | 108.5 | T4 | T4-S6 PolarHBondContact O-N 3.11Š| ||
| 7 | V | 43.4 | Very low | 56.3 | Low | 135 Ų | 135 | 111.1 Ų | 111.1 | 82% | 0.818 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -109 | 114.1 | 171.7 | -176.1 | 0 | 0 | 0 | 0 | 106.4 | S5 | S5-V7 PolarHBondContact O-N 3.04Š|
| 8 | A | 44.3 | Very low | 58.3 | Low | 80 Ų | 80 | 109.4 Ų | 109.4 | 66% | 0.661 | 67% | 0.668 | S | S | * | * | S | Bend | trans | 69.4 | 114.8 | -163.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | E10 | A8-E10 PolarHBondContact O-N 3.25Š|
| 9 | G | 45 | Very low | 60 | Low | 59 Ų | 59 | 106.1 Ų | 106.1 | 61% | 0.608 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -47.2 | 134.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | V11 | G9-V11 VanDerWaalsContact C-N 3.29Å; G9-V11 WeakPolarHBondContact O-CG2 3.3Å; G9-V11 PolarHBondContact O-N 3.48Å |
| 10 | E | 52.3 | Low | 61.4 | Low | 188 Ų | 188 | 103.6 Ų | 103.6 | 88% | 0.879 | 63% | 0.627 | S | S | * | * | trans | -42.9 | 92.3 | -169.4 | -75.1 | -180 | 151.1 | 0 | 0 | 111.2 | A8 F12 | A8-E10 PolarHBondContact O-N 3.25Å; E10-F12 VanDerWaalsContact C-N 3.34Å; E10-F12 PolarHBondContact O-N 3.28Å | ||
| 11 | V | 56.8 | Low | 62.6 | Low | 113 Ų | 113 | 106.3 Ų | 106.3 | 69% | 0.685 | 63% | 0.633 | S | S | * | * | trans | -72 | 104.8 | 167.9 | 179.5 | 0 | 0 | 0 | 0 | 102.7 | G9 V13 | G9-V11 VanDerWaalsContact C-N 3.29Å; G9-V11 WeakPolarHBondContact O-CG2 3.3Å; G9-V11 PolarHBondContact O-N 3.48Å; V11-V13 HydrophobicContact CB-CG2 4.39Å; V11-V13 HydrophobicContact CG1-CG2 3.89Å; V11-V13 PolarHBondContact O-N 3.08Å | ||
| 12 | F | 63.4 | Low | 64.7 | Low | 173 Ų | 173 | 96.9 Ų | 96.9 | 76% | 0.759 | 60% | 0.599 | S | S | * | * | trans | -65 | 93.4 | 170.3 | -177.1 | -101.5 | 0 | 0 | 0 | 107.2 | E10 D14 | E10-F12 VanDerWaalsContact C-N 3.34Å; E10-F12 PolarHBondContact O-N 3.28Å; F12-D14 HydrophobicContact CD1-CB 4.08Å; F12-D14 HydrophobicContact CE1-CB 3.61Å; F12-D14 HydrophobicContact CZ-CB 4.4Å; F12-D14 PolarHBondContact O-N 3.13Å | ||
| 13 | V | 72.8 | Confident | 66.7 | Low | 122 Ų | 122 | 97 Ų | 97 | 74% | 0.739 | 58% | 0.582 | S | S | * | * | trans | -82.8 | 103.1 | 174.2 | -178.7 | 0 | 0 | 0 | 0 | 106.3 | V11 | V11-V13 HydrophobicContact CB-CG2 4.39Å; V11-V13 HydrophobicContact CG1-CG2 3.89Å; V11-V13 PolarHBondContact O-N 3.08Å | ||
| 14 | D | 77.8 | Confident | 68.8 | Low | 93 Ų | 93 | 99.5 Ų | 99.5 | 50% | 0.497 | 58% | 0.579 | S | S | . | * | trans | -89.7 | 126.2 | 175.4 | -161.2 | 2.5 | 0 | 0 | 0 | 110.3 | F12 L16 | F12-D14 HydrophobicContact CD1-CB 4.08Å; F12-D14 HydrophobicContact CE1-CB 3.61Å; F12-D14 HydrophobicContact CZ-CB 4.4Å; F12-D14 PolarHBondContact O-N 3.13Å; D14-L16 VanDerWaalsContact OD1-CD2 3.23Å; D14-L16 WeakPolarHBondContact OD1-CD2 3.36Å | ||
| 15 | A | 83.1 | Confident | 71.1 | Confident | 52 Ų | 52 | 95.3 Ų | 95.3 | 43% | 0.43 | 56% | 0.559 | S | S | . | * | trans | -145.5 | 130.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 106.8 | P17 | A15-P17 WeakPolarHBondContact O-CD 3.5Š| ||
| 16 | L | 90.6 | Very high | 73.5 | Confident | 16 Ų | 16 | 95.2 Ų | 95.2 | 8% | 0.084 | 57% | 0.565 | C | S | . | * | trans | -112.4 | 68.3 | -172.7 | -54.9 | 176.8 | 0 | 0 | 0 | 111.9 | D14 Y18 F19 D20 Q171 L178 | D14-L16 VanDerWaalsContact OD1-CD2 3.23Å; D14-L16 WeakPolarHBondContact OD1-CD2 3.36Å; L16-Y18 PolarHBondContact O-N 3.43Å; L16-F19 HydrophobicContact CB-CB 3.95Å; L16-F19 WeakPolarHBondContact O-CA 3.24Å; L16-F19 PolarHBondContact O-N 2.88Å; L16-D20 PolarHBondContact N-OD2 3.26Å; L16-D20 PolarHBondContact O-N 3.47Å; L16-Q171 HydrophobicContact CB-CB 4.39Å; L16-Q171 HydrophobicContact CB-CG 4.4Å; L16-Q171 HydrophobicContact CD2-CB 4.07Å; L16-Q171 HydrophobicContact CD2-CG 3.68Å; L16-L178 HydrophobicContact CD1-CD1 3.73Å | ||
| 17 | P | 90.3 | Very high | 75.6 | Confident | 82 Ų | 82 | 92.7 Ų | 92.7 | 53% | 0.532 | 55% | 0.553 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -50.6 | -32.3 | -177.1 | -29.1 | 30.6 | 0 | 0 | 0 | 116.4 | A15 F19 | A15-P17 WeakPolarHBondContact O-CD 3.5Å; P17-F19 VanDerWaalsContact C-N 3.32Å |
| 18 | Y | 91.5 | Very high | 77.8 | Confident | 81 Ų | 81 | 89.1 Ų | 89.1 | 32% | 0.318 | 53% | 0.531 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -18.6 | 177.9 | -73.5 | -67.6 | 0 | 0 | 0 | 113.6 | L16 R167 K168 | L16-Y18 PolarHBondContact O-N 3.43Å; Y18-R167 HydrophobicContact CD2-CG 4.29Å; Y18-R167 HydrophobicContact CE2-CB 4.35Å; Y18-R167 HydrophobicContact CE2-CG 4.17Å; Y18-K168 HydrophobicContact CD1-CB 4.23Å; Y18-K168 HydrophobicContact CD1-CD 4.24Å; Y18-K168 HydrophobicContact CD1-CG 4.05Å; Y18-K168 HydrophobicContact CD2-CB 3.89Å; Y18-K168 HydrophobicContact CD2-CG 4.41Å; Y18-K168 HydrophobicContact CE1-CB 4.43Å; Y18-K168 HydrophobicContact CE1-CD 4.49Å; Y18-K168 HydrophobicContact CE2-CB 4.09Å; Y18-K168 HydrophobicContact CG-CB 3.97Å; Y18-K168 HydrophobicContact CG-CG 3.98Å |
| 19 | F | 90.4 | Very high | 80 | Confident | 47 Ų | 47 | 93.1 Ų | 93.1 | 21% | 0.206 | 53% | 0.529 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | -44.8 | 177.4 | -174.1 | -98.2 | 0 | 0 | 0 | 111.6 | L16 P17 Q21 L172 G175 | L16-F19 HydrophobicContact CB-CB 3.95Å; L16-F19 WeakPolarHBondContact O-CA 3.24Å; L16-F19 PolarHBondContact O-N 2.88Å; P17-F19 VanDerWaalsContact C-N 3.32Å; F19-Q21 PolarHBondContact O-N 3.17Å; F19-L172 HydrophobicContact CD2-CD2 4.34Å; F19-G175 VanDerWaalsContact CE2-CA 3.47Å; F19-G175 WeakPolarHBondContact CE2-O 3.46Å; F19-G175 WeakPolarHBondContact CZ-O 3.36Å |
| 20 | D | 89.3 | Confident | 82.4 | Confident | 56 Ų | 56 | 96.2 Ų | 96.2 | 30% | 0.299 | 53% | 0.528 | S | S | . | . | trans | -81.5 | 78.7 | -178 | -64.5 | -30.5 | 0 | 0 | 0 | 111.5 | L16 G22 Y23 | L16-D20 PolarHBondContact N-OD2 3.26Å; L16-D20 PolarHBondContact O-N 3.47Å; D20-G22 PolarHBondContact O-N 2.94Å; D20-Y23 HydrophobicContact CB-CD2 3.82Å; D20-Y23 HydrophobicContact CB-CE2 3.36Å; D20-Y23 WeakPolarHBondContact O-CD2 3.15Å | ||
| 21 | Q | 85.2 | Confident | 84.3 | Confident | 161 Ų | 161 | 89.9 Ų | 89.9 | 75% | 0.752 | 51% | 0.508 | S | S | * | . | G | 310 helix | trans | -74.8 | -6 | -178.1 | -61.8 | -175.7 | 4.9 | 0 | 0 | 114.1 | F19 Y23 | F19-Q21 PolarHBondContact O-N 3.17Å; Q21-Y23 VanDerWaalsContact C-N 3.27Å; Q21-Y23 PolarHBondContact O-N 3.3Å |
| 22 | G | 83.1 | Confident | 86 | Confident | 50 Ų | 50 | 86.9 Ų | 86.9 | 52% | 0.515 | 50% | 0.495 | S | S | . | . | G | 310 helix | trans | -70.4 | -16.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | D20 D24 A25 | D20-G22 PolarHBondContact O-N 2.94Å; G22-D24 PolarHBondContact O-N 2.91Å; G22-A25 VanDerWaalsContact O-CB 3.27Å; G22-A25 WeakPolarHBondContact O-CB 3.47Å; G22-A25 PolarHBondContact O-N 3Å; G22-A25 VanDerWaalsContact O-N 3.14Å |
| 23 | Y | 79.5 | Confident | 87.5 | Confident | 119 Ų | 119 | 81.4 Ų | 81.4 | 47% | 0.467 | 48% | 0.482 | S | S | . | . | G | 310 helix | trans | -65.8 | -22.4 | -179.5 | -67.6 | -65.6 | 0 | 0 | 0 | 114.3 | D20 Q21 A25 | D20-Y23 HydrophobicContact CB-CD2 3.82Å; D20-Y23 HydrophobicContact CB-CE2 3.36Å; D20-Y23 WeakPolarHBondContact O-CD2 3.15Å; Q21-Y23 VanDerWaalsContact C-N 3.27Å; Q21-Y23 PolarHBondContact O-N 3.3Å; Y23-A25 VanDerWaalsContact C-N 3.33Å |
| 24 | D | 80.7 | Confident | 88.5 | Confident | 122 Ų | 122 | 78.2 Ų | 78.2 | 65% | 0.652 | 47% | 0.468 | S | S | * | . | G | 310 helix | trans | -89.9 | 0.2 | 178.2 | -68.3 | -29.2 | 0 | 0 | 0 | 112.7 | G22 R29 | G22-D24 PolarHBondContact O-N 2.91Å; D24-R29 IonicContact OD1-CZ 3.2Å; D24-R29 IonicContact OD1-NE 2.95Å; D24-R29 IonicContact OD1-NH2 2.78Å; D24-R29 PolarHBondContact OD1-NH2 3.32Å |
| 25 | A | 87.7 | Confident | 89.3 | Confident | 53 Ų | 53 | 79.3 Ų | 79.3 | 44% | 0.438 | 47% | 0.473 | S | S | . | . | S | Bend | trans | -65.6 | 138.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | G22 Y23 G27 V28 | G22-A25 VanDerWaalsContact O-CB 3.27Å; G22-A25 WeakPolarHBondContact O-CB 3.47Å; G22-A25 PolarHBondContact O-N 3Å; G22-A25 VanDerWaalsContact O-N 3.14Å; Y23-A25 VanDerWaalsContact C-N 3.33Å; A25-G27 PolarHBondContact O-N 3.48Å; A25-V28 HydrophobicContact CB-CG2 3.91Å; A25-V28 PolarHBondContact O-N 3.14Å |
| 26 | A | 89.6 | Confident | 89.8 | Confident | 108 Ų | 108 | 81.2 Ų | 81.2 | 89% | 0.893 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | 132.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 27 | G | 90.1 | Very high | 89.9 | Confident | 37 Ų | 37 | 86.2 Ų | 86.2 | 38% | 0.381 | 50% | 0.502 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.2 | -17.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | A25 E30 A31 | A25-G27 PolarHBondContact O-N 3.48Å; G27-E30 WeakPolarHBondContact CA-OE2 3.49Å; G27-E30 PolarHBondContact N-OE2 3.5Å; G27-E30 VanDerWaalsContact N-OE2 3.12Å; G27-A31 VanDerWaalsContact O-CB 3.26Å; G27-A31 WeakPolarHBondContact O-CB 3.32Å; G27-A31 PolarHBondContact O-N 3.17Å |
| 28 | V | 91.3 | Very high | 90.1 | Very high | 59 Ų | 59 | 86.7 Ų | 86.7 | 36% | 0.358 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69.6 | -43.1 | -177.7 | 175.7 | 0 | 0 | 0 | 0 | 111.4 | A25 A31 A32 | A25-V28 HydrophobicContact CB-CG2 3.91Å; A25-V28 PolarHBondContact O-N 3.14Å; V28-A31 PolarHBondContact O-N 3.44Å; V28-A32 WeakPolarHBondContact O-CB 3.48Å; V28-A32 PolarHBondContact O-N 3.38Å |
| 29 | R | 90.3 | Very high | 90.1 | Very high | 164 Ų | 164 | 86.9 Ų | 86.9 | 62% | 0.619 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -67.6 | -39.6 | 178.7 | -66.3 | -173.9 | -175.5 | -171.8 | 1.9 | 111.4 | D24 A32 A33 | D24-R29 IonicContact OD1-CZ 3.2Å; D24-R29 IonicContact OD1-NE 2.95Å; D24-R29 IonicContact OD1-NH2 2.78Å; D24-R29 PolarHBondContact OD1-NH2 3.32Å; R29-A32 PolarHBondContact O-N 3.04Å; R29-A33 VanDerWaalsContact O-CB 3.29Å; R29-A33 WeakPolarHBondContact O-CB 3.34Å; R29-A33 PolarHBondContact O-N 2.99Å |
| 30 | E | 93.9 | Very high | 90 | Very high | 124 Ų | 124 | 87.8 Ų | 87.8 | 58% | 0.579 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.2 | -44.2 | 177 | -63.9 | 78.7 | -174.9 | 0 | 0 | 111.1 | G27 A33 A34 | G27-E30 WeakPolarHBondContact CA-OE2 3.49Å; G27-E30 PolarHBondContact N-OE2 3.5Å; G27-E30 VanDerWaalsContact N-OE2 3.12Å; E30-A33 PolarHBondContact O-N 3.14Å; E30-A34 WeakPolarHBondContact O-CB 3.37Å; E30-A34 PolarHBondContact O-N 3.01Å |
| 31 | A | 93.8 | Very high | 90 | Very high | 56 Ų | 56 | 94.2 Ų | 94.2 | 46% | 0.463 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.9 | -45.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | G27 V28 A33 A34 L35 | G27-A31 VanDerWaalsContact O-CB 3.26Å; G27-A31 WeakPolarHBondContact O-CB 3.32Å; G27-A31 PolarHBondContact O-N 3.17Å; V28-A31 PolarHBondContact O-N 3.44Å; A31-A33 PolarHBondContact O-N 2.87Å; A31-A34 PolarHBondContact O-N 3.2Å; A31-L35 WeakPolarHBondContact O-CG 3.46Å; A31-L35 PolarHBondContact O-N 2.88Å; A31-L35 VanDerWaalsContact O-N 3.1Å |
| 32 | A | 92.5 | Very high | 90.2 | Very high | 50 Ų | 50 | 94 Ų | 94 | 41% | 0.413 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.7 | -43.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | V28 R29 A34 L35 V36 | V28-A32 WeakPolarHBondContact O-CB 3.48Å; V28-A32 PolarHBondContact O-N 3.38Å; R29-A32 PolarHBondContact O-N 3.04Å; A32-A34 PolarHBondContact O-N 3.4Å; A32-L35 PolarHBondContact O-N 3.43Å; A32-V36 WeakPolarHBondContact O-CG2 3.38Å; A32-V36 PolarHBondContact O-N 3.43Å |
| 33 | A | 93.6 | Very high | 90.1 | Very high | 58 Ų | 58 | 99.7 Ų | 99.7 | 48% | 0.479 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.5 | -40.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | R29 E30 A31 V36 E37 | R29-A33 VanDerWaalsContact O-CB 3.29Å; R29-A33 WeakPolarHBondContact O-CB 3.34Å; R29-A33 PolarHBondContact O-N 2.99Å; E30-A33 PolarHBondContact O-N 3.14Å; A31-A33 PolarHBondContact O-N 2.87Å; A33-V36 PolarHBondContact O-N 2.99Å; A33-E37 WeakPolarHBondContact O-CB 3.49Å; A33-E37 PolarHBondContact O-N 2.99Å |
| 34 | A | 95.2 | Very high | 90 | Very high | 55 Ų | 55 | 103.9 Ų | 103.9 | 46% | 0.455 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63 | -41.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | E30 A31 A32 E37 E38 | E30-A34 WeakPolarHBondContact O-CB 3.37Å; E30-A34 PolarHBondContact O-N 3.01Å; A31-A34 PolarHBondContact O-N 3.2Å; A32-A34 PolarHBondContact O-N 3.4Å; A34-E37 PolarHBondContact O-N 3.48Å; A34-E38 PolarHBondContact O-N 2.84Å |
| 35 | L | 94.3 | Very high | 89.8 | Confident | 115 Ų | 115 | 103 Ų | 103 | 60% | 0.602 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -64.8 | -42.2 | 174.8 | -67.9 | 173.2 | 0 | 0 | 0 | 111.8 | A31 A32 E37 E38 E39 | A31-L35 WeakPolarHBondContact O-CG 3.46Å; A31-L35 PolarHBondContact O-N 2.88Å; A31-L35 VanDerWaalsContact O-N 3.1Å; A32-L35 PolarHBondContact O-N 3.43Å; L35-E37 VanDerWaalsContact C-N 3.34Å; L35-E38 PolarHBondContact O-N 2.93Å; L35-E39 PolarHBondContact O-N 3.44Å; L35-E39 VanDerWaalsContact O-N 3.11Å |
| 36 | V | 92.8 | Very high | 89.1 | Confident | 93 Ų | 93 | 107.1 Ų | 107.1 | 56% | 0.564 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -60.8 | -45.7 | 174.2 | 171.7 | 0 | 0 | 0 | 0 | 110.2 | A32 A33 E38 E39 T40 | A32-V36 WeakPolarHBondContact O-CG2 3.38Å; A32-V36 PolarHBondContact O-N 3.43Å; A33-V36 PolarHBondContact O-N 2.99Å; V36-E38 PolarHBondContact O-N 2.86Å; V36-E39 PolarHBondContact O-N 3.26Å; V36-T40 WeakPolarHBondContact O-CB 3.46Å; V36-T40 PolarHBondContact O-N 3.16Å; V36-T40 PolarHBondContact O-OG1 3.31Å |
| 37 | E | 92.9 | Very high | 88.6 | Confident | 121 Ų | 121 | 110.5 Ų | 110.5 | 57% | 0.565 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -61.4 | -42.7 | 178.7 | -171.6 | -177.8 | 172.5 | 0 | 0 | 112 | A33 A34 L35 E39 T40 R41 | A33-E37 WeakPolarHBondContact O-CB 3.49Å; A33-E37 PolarHBondContact O-N 2.99Å; A34-E37 PolarHBondContact O-N 3.48Å; L35-E37 VanDerWaalsContact C-N 3.34Å; E37-E39 PolarHBondContact O-N 2.81Å; E37-T40 PolarHBondContact O-N 2.9Å; E37-R41 WeakPolarHBondContact O-CG 3.44Å; E37-R41 PolarHBondContact O-N 3.31Å |
| 38 | E | 93.8 | Very high | 88.1 | Confident | 91 Ų | 91 | 113.6 Ų | 113.6 | 43% | 0.425 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -59.3 | -46.3 | 176.7 | -173.1 | 174.9 | -176.3 | 0 | 0 | 111.7 | A34 L35 V36 T40 R41 R42 | A34-E38 PolarHBondContact O-N 2.84Å; L35-E38 PolarHBondContact O-N 2.93Å; V36-E38 PolarHBondContact O-N 2.86Å; E38-T40 VanDerWaalsContact C-N 3.34Å; E38-T40 PolarHBondContact O-N 3.1Å; E38-R41 PolarHBondContact O-N 3.02Å; E38-R42 WeakPolarHBondContact O-CG 3.43Å; E38-R42 PolarHBondContact O-N 3.01Å; E38-R42 VanDerWaalsContact O-N 3.14Å; E38-R42 IonicContact OE1-CZ 3.52Å; E38-R42 IonicContact OE1-NE 2.7Å; E38-R42 IonicContact OE1-NH2 3.95Å; E38-R42 PolarHBondContact OE1-NH2 2.7Å |
| 39 | E | 91.4 | Very high | 87.6 | Confident | 85 Ų | 85 | 119.3 Ų | 119.3 | 40% | 0.397 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -65.5 | -37.3 | 175.7 | -74 | -58 | 131.4 | 0 | 0 | 111.9 | L35 V36 E37 R41 R42 Y43 | L35-E39 PolarHBondContact O-N 3.44Å; L35-E39 VanDerWaalsContact O-N 3.11Å; V36-E39 PolarHBondContact O-N 3.26Å; E37-E39 PolarHBondContact O-N 2.81Å; E39-R41 VanDerWaalsContact C-N 3.28Å; E39-R41 PolarHBondContact O-N 3.43Å; E39-R42 PolarHBondContact O-N 3.24Å; E39-R42 IonicContact OE1-CZ 3.43Å; E39-R42 IonicContact OE1-NH1 3.71Å; E39-R42 PolarHBondContact OE1-NH1 2.96Å; E39-Y43 PolarHBondContact O-N 3.2Å; E39-Y43 WeakPolarHBondContact OE2-CD2 3.37Å; E39-Y43 WeakPolarHBondContact OE2-CE2 3.5Å |
| 40 | T | 88.7 | Confident | 87.3 | Confident | 66 Ų | 66 | 115 Ų | 115 | 41% | 0.405 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -68 | -28.7 | 176.7 | -36.8 | 0 | 0 | 0 | 0 | 112.1 | V36 E37 E38 Y43 | V36-T40 WeakPolarHBondContact O-CB 3.46Å; V36-T40 PolarHBondContact O-N 3.16Å; V36-T40 PolarHBondContact O-OG1 3.31Å; E37-T40 PolarHBondContact O-N 2.9Å; E38-T40 VanDerWaalsContact C-N 3.34Å; E38-T40 PolarHBondContact O-N 3.1Å; T40-Y43 CarbonylContact O-C 3.6Å |
| 41 | R | 89.4 | Confident | 86.9 | Confident | 192 Ų | 192 | 113.7 Ų | 113.7 | 73% | 0.725 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -71 | -38.2 | 172.2 | -76.4 | -178.3 | 81.8 | 141 | 0.6 | 112 | E37 E38 E39 | E37-R41 WeakPolarHBondContact O-CG 3.44Å; E37-R41 PolarHBondContact O-N 3.31Å; E38-R41 PolarHBondContact O-N 3.02Å; E39-R41 VanDerWaalsContact C-N 3.28Å; E39-R41 PolarHBondContact O-N 3.43Å |
| 42 | R | 88.8 | Confident | 86.5 | Confident | 155 Ų | 155 | 119.5 Ų | 119.5 | 59% | 0.585 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -72.3 | -45.6 | 178.2 | -68.8 | 172.5 | -178.4 | -171.7 | -1.3 | 111.5 | E38 E39 | E38-R42 WeakPolarHBondContact O-CG 3.43Å; E38-R42 PolarHBondContact O-N 3.01Å; E38-R42 VanDerWaalsContact O-N 3.14Å; E38-R42 IonicContact OE1-CZ 3.52Å; E38-R42 IonicContact OE1-NE 2.7Å; E38-R42 IonicContact OE1-NH2 3.95Å; E38-R42 PolarHBondContact OE1-NH2 2.7Å; E39-R42 PolarHBondContact O-N 3.24Å; E39-R42 IonicContact OE1-CZ 3.43Å; E39-R42 IonicContact OE1-NH1 3.71Å; E39-R42 PolarHBondContact OE1-NH1 2.96Å |
| 43 | Y | 82.4 | Confident | 86.3 | Confident | 170 Ų | 170 | 121 Ų | 121 | 67% | 0.667 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -111.9 | 87 | 179.7 | -62.3 | -75.7 | 0 | 0 | 0 | 110.1 | E39 T40 P45 | E39-Y43 PolarHBondContact O-N 3.2Å; E39-Y43 WeakPolarHBondContact OE2-CD2 3.37Å; E39-Y43 WeakPolarHBondContact OE2-CE2 3.5Å; T40-Y43 CarbonylContact O-C 3.6Å; Y43-P45 WeakPolarHBondContact O-CD 3.48Å |
| 44 | R | 75.9 | Confident | 85.9 | Confident | 207 Ų | 207 | 123.4 Ų | 123.4 | 78% | 0.781 | 60% | 0.601 | S | S | * | * | trans | -63.6 | 128.8 | 170.5 | -69.8 | -165.3 | -179.2 | -133.5 | 1.8 | 109.2 | T46 | R44-T46 PolarHBondContact O-N 2.93Š| ||
| 45 | P | 76.4 | Confident | 85.4 | Confident | 104 Ų | 104 | 127 Ų | 127 | 68% | 0.675 | 62% | 0.617 | S | S | * | * | trans | -55.1 | 114.1 | 177.9 | -25.3 | 33.5 | 0 | 0 | 0 | 110.7 | Y43 | Y43-P45 WeakPolarHBondContact O-CD 3.48Š| ||
| 46 | T | 73.9 | Confident | 85 | Confident | 140 Ų | 140 | 125.4 Ų | 125.4 | 86% | 0.859 | 61% | 0.613 | S | S | * | * | trans | -90.7 | -21.7 | 179.9 | 46.9 | 0 | 0 | 0 | 0 | 112.7 | R44 | R44-T46 PolarHBondContact O-N 2.93Š| ||
| 47 | K | 79.3 | Confident | 84.8 | Confident | 178 Ų | 178 | 124.7 Ų | 124.7 | 77% | 0.774 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -110.6 | 129.6 | 174 | -66.8 | -175.7 | -179.6 | 179.2 | 0 | 109.4 | Y49 | K47-Y49 PolarHBondContact O-N 3.31Å; K47-Y49 VanDerWaalsContact O-N 3.11Å |
| 48 | N | 80.6 | Confident | 84.2 | Confident | 103 Ų | 103 | 125.9 Ų | 125.9 | 55% | 0.551 | 61% | 0.61 | S | S | * | * | trans | -68.9 | 106.4 | 167.2 | -177.5 | -3.9 | 0 | 0 | 0 | 107.9 | L50 S51 | N48-L50 PolarHBondContact O-N 3.45Å; N48-L50 VanDerWaalsContact O-N 3.09Å; N48-L50 WeakPolarHBondContact OD1-CA 3.47Å; N48-L50 VanDerWaalsContact OD1-CB 3.31Å; N48-L50 WeakPolarHBondContact OD1-CB 3.4Å; N48-L50 PolarHBondContact OD1-N 3.37Å; N48-S51 VanDerWaalsContact O-CB 3.25Å; N48-S51 WeakPolarHBondContact O-CB 3.34Å; N48-S51 PolarHBondContact O-N 3.46Å; N48-S51 PolarHBondContact O-OG 3.48Å | ||
| 49 | Y | 80.2 | Confident | 83.7 | Confident | 179 Ų | 179 | 125.4 Ų | 125.4 | 70% | 0.702 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | -13.4 | 178.6 | 64 | -87.9 | 0 | 0 | 0 | 112.4 | K47 Y52 | K47-Y49 PolarHBondContact O-N 3.31Å; K47-Y49 VanDerWaalsContact O-N 3.11Å; Y49-Y52 WeakPolarHBondContact O-CD1 3.46Å; Y49-Y52 WeakPolarHBondContact O-CE1 3.28Å |
| 50 | L | 83.6 | Confident | 83.5 | Confident | 72 Ų | 72 | 126 Ų | 126 | 38% | 0.377 | 62% | 0.623 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93.4 | 6.6 | 173.7 | -53.9 | 174 | 0 | 0 | 0 | 113 | N48 Y52 I53 | N48-L50 PolarHBondContact O-N 3.45Å; N48-L50 VanDerWaalsContact O-N 3.09Å; N48-L50 WeakPolarHBondContact OD1-CA 3.47Å; N48-L50 VanDerWaalsContact OD1-CB 3.31Å; N48-L50 WeakPolarHBondContact OD1-CB 3.4Å; N48-L50 PolarHBondContact OD1-N 3.37Å; L50-Y52 PolarHBondContact O-N 3.41Å; L50-Y52 VanDerWaalsContact O-N 3.12Å; L50-I53 HydrophobicContact CB-CD1 4.44Å; L50-I53 HydrophobicContact CD2-CD1 3.76Å; L50-I53 WeakPolarHBondContact O-CB 3.32Å; L50-I53 PolarHBondContact O-N 2.95Å |
| 51 | S | 85.4 | Confident | 83.3 | Confident | 98 Ų | 98 | 130.5 Ų | 130.5 | 69% | 0.685 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63 | -20.9 | -176.2 | 67.2 | 0 | 0 | 0 | 0 | 114.1 | N48 I53 | N48-S51 VanDerWaalsContact O-CB 3.25Å; N48-S51 WeakPolarHBondContact O-CB 3.34Å; N48-S51 PolarHBondContact O-N 3.46Å; N48-S51 PolarHBondContact O-OG 3.48Å; S51-I53 VanDerWaalsContact C-N 3.27Å |
| 52 | Y | 85.9 | Confident | 83.3 | Confident | 178 Ų | 178 | 123.9 Ų | 123.9 | 70% | 0.698 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | -15.6 | 174.4 | 70.7 | -92.9 | 0 | 0 | 0 | 112.7 | Y49 L50 | Y49-Y52 WeakPolarHBondContact O-CD1 3.46Å; Y49-Y52 WeakPolarHBondContact O-CE1 3.28Å; L50-Y52 PolarHBondContact O-N 3.41Å; L50-Y52 VanDerWaalsContact O-N 3.12Å |
| 53 | I | 86.9 | Confident | 83.4 | Confident | 82 Ų | 82 | 120.2 Ų | 120.2 | 42% | 0.421 | 61% | 0.609 | S | S | . | * | S | Bend | trans | -88.5 | 117.1 | 177.8 | -53.3 | -175.9 | 0 | 0 | 0 | 107.1 | L50 S51 T55 | L50-I53 HydrophobicContact CB-CD1 4.44Å; L50-I53 HydrophobicContact CD2-CD1 3.76Å; L50-I53 WeakPolarHBondContact O-CB 3.32Å; L50-I53 PolarHBondContact O-N 2.95Å; S51-I53 VanDerWaalsContact C-N 3.27Å; I53-T55 PolarHBondContact O-N 3.15Å |
| 54 | P | 86.8 | Confident | 83.9 | Confident | 108 Ų | 108 | 118.9 Ų | 118.9 | 70% | 0.701 | 61% | 0.609 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 141.7 | 175.2 | 26.5 | -33 | 0 | 0 | 0 | 109.4 | P56 | P54-P56 WeakPolarHBondContact O-CD 3.44Š|
| 55 | T | 83.8 | Confident | 84.7 | Confident | 131 Ų | 131 | 115.2 Ų | 115.2 | 80% | 0.804 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 123.8 | 171.5 | -45.4 | 0 | 0 | 0 | 0 | 107.8 | I53 D57 | I53-T55 PolarHBondContact O-N 3.15Å; T55-D57 PolarHBondContact O-N 3.49Å |
| 56 | P | 86.4 | Confident | 85.4 | Confident | 80 Ų | 80 | 114.1 Ų | 114.1 | 52% | 0.519 | 59% | 0.591 | S | S | . | * | P | Polyproline II helix | trans | -59.8 | 126.8 | 179.8 | 22 | -31.5 | 0 | 0 | 0 | 109.2 | P54 F58 | P54-P56 WeakPolarHBondContact O-CD 3.44Å; P56-F58 HydrophobicContact CB-CE1 4.24Å; P56-F58 HydrophobicContact CB-CE2 4.32Å; P56-F58 HydrophobicContact CB-CZ 4.02Å; P56-F58 HydrophobicContact CG-CE1 4.12Å; P56-F58 HydrophobicContact CG-CE2 3.72Å; P56-F58 HydrophobicContact CG-CZ 3.44Å; P56-F58 VanDerWaalsContact CG-CZ 3.44Å; P56-F58 WeakPolarHBondContact O-CD2 3.34Å; P56-F58 PolarHBondContact O-N 3.26Å |
| 57 | D | 87.5 | Confident | 86.3 | Confident | 78 Ų | 78 | 113 Ų | 113 | 42% | 0.417 | 57% | 0.571 | S | S | . | * | trans | -78.9 | 99.8 | 172.3 | 176.9 | 23.8 | 0 | 0 | 0 | 109.2 | T55 T59 T60 | T55-D57 PolarHBondContact O-N 3.49Å; D57-T59 VanDerWaalsContact CG-OG1 3.29Å; D57-T59 PolarHBondContact O-N 3.14Å; D57-T59 WeakPolarHBondContact OD1-CB 3.41Å; D57-T59 PolarHBondContact OD1-N 2.9Å; D57-T59 PolarHBondContact OD1-OG1 2.88Å; D57-T59 PolarHBondContact OD2-OG1 2.88Å; D57-T60 PolarHBondContact OD2-N 3.49Å; D57-T60 PolarHBondContact OD2-OG1 2.82Å | ||
| 58 | F | 81.4 | Confident | 86.9 | Confident | 146 Ų | 146 | 108.6 Ų | 108.6 | 64% | 0.64 | 56% | 0.556 | S | S | * | * | G | 310 helix | trans | -71.8 | -19.9 | 177.4 | -61.5 | -72.5 | 0 | 0 | 0 | 112.6 | P56 T60 F61 | P56-F58 HydrophobicContact CB-CE1 4.24Å; P56-F58 HydrophobicContact CB-CE2 4.32Å; P56-F58 HydrophobicContact CB-CZ 4.02Å; P56-F58 HydrophobicContact CG-CE1 4.12Å; P56-F58 HydrophobicContact CG-CE2 3.72Å; P56-F58 HydrophobicContact CG-CZ 3.44Å; P56-F58 VanDerWaalsContact CG-CZ 3.44Å; P56-F58 WeakPolarHBondContact O-CD2 3.34Å; P56-F58 PolarHBondContact O-N 3.26Å; F58-T60 VanDerWaalsContact C-N 3.28Å; F58-T60 PolarHBondContact O-N 3.32Å; F58-F61 PolarHBondContact O-N 3.2Å |
| 59 | T | 84.1 | Confident | 87.4 | Confident | 81 Ų | 81 | 107.1 Ų | 107.1 | 50% | 0.497 | 55% | 0.545 | S | S | . | . | G | 310 helix | trans | -72.2 | -24.4 | -179.3 | 72.1 | 0 | 0 | 0 | 0 | 112.3 | D57 F61 E62 | D57-T59 VanDerWaalsContact CG-OG1 3.29Å; D57-T59 PolarHBondContact O-N 3.14Å; D57-T59 WeakPolarHBondContact OD1-CB 3.41Å; D57-T59 PolarHBondContact OD1-N 2.9Å; D57-T59 PolarHBondContact OD1-OG1 2.88Å; D57-T59 PolarHBondContact OD2-OG1 2.88Å; T59-F61 PolarHBondContact O-N 3.39Å; T59-E62 WeakPolarHBondContact O-CB 3.34Å; T59-E62 PolarHBondContact O-N 3.24Å |
| 60 | T | 85.3 | Confident | 87.9 | Confident | 99 Ų | 99 | 103.3 Ų | 103.3 | 61% | 0.607 | 53% | 0.533 | S | S | * | . | G | 310 helix | trans | -58.2 | -29.1 | 173.8 | -70.8 | 0 | 0 | 0 | 0 | 112.5 | D57 F58 | D57-T60 PolarHBondContact OD2-N 3.49Å; D57-T60 PolarHBondContact OD2-OG1 2.82Å; F58-T60 VanDerWaalsContact C-N 3.28Å; F58-T60 PolarHBondContact O-N 3.32Å |
| 61 | F | 85.6 | Confident | 88.4 | Confident | 159 Ų | 159 | 105.6 Ų | 105.6 | 70% | 0.697 | 54% | 0.541 | S | S | * | . | G | 310 helix | trans | -97.2 | 0.9 | -179.7 | -56.1 | -76.8 | 0 | 0 | 0 | 113.3 | F58 T59 T63 | F58-F61 PolarHBondContact O-N 3.2Å; T59-F61 PolarHBondContact O-N 3.39Å; F61-T63 PolarHBondContact O-N 3.11Å |
| 62 | E | 89.8 | Confident | 88.9 | Confident | 54 Ų | 54 | 103.2 Ų | 103.2 | 25% | 0.252 | 52% | 0.518 | S | S | . | . | trans | -75.8 | 113.4 | 178.1 | -70.3 | 177.6 | -174.9 | 0 | 0 | 110.4 | T59 F70 | T59-E62 WeakPolarHBondContact O-CB 3.34Å; T59-E62 PolarHBondContact O-N 3.24Å; E62-F70 HydrophobicContact CG-CE2 4.23Å | ||
| 63 | T | 90.9 | Very high | 89.2 | Confident | 77 Ų | 77 | 99.5 Ų | 99.5 | 47% | 0.472 | 51% | 0.509 | S | S | . | . | trans | -72.6 | 158.3 | 166.1 | 62.8 | 0 | 0 | 0 | 0 | 110.2 | F61 I65 M66 R67 | F61-T63 PolarHBondContact O-N 3.11Å; T63-I65 PolarHBondContact O-N 3.47Å; T63-M66 WeakPolarHBondContact O-CB 3.45Å; T63-M66 PolarHBondContact O-N 3.01Å; T63-M66 VanDerWaalsContact OG1-CG 3.32Å; T63-M66 WeakPolarHBondContact OG1-CG 3.43Å; T63-M66 PolarHBondContact OG1-N 2.9Å; T63-R67 PolarHBondContact O-N 3.23Å | ||
| 64 | E | 91.8 | Very high | 89.5 | Confident | 143 Ų | 143 | 99.7 Ų | 99.7 | 67% | 0.668 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -55.2 | -37 | 176.8 | -171.2 | 172.3 | -171.1 | 0 | 0 | 112.4 | R67 N68 | E64-R67 PolarHBondContact O-N 2.98Å; E64-N68 PolarHBondContact O-N 3.33Å; E64-N68 PolarHBondContact O-ND2 3.46Å; E64-N68 PolarHBondContact O-OD1 2.87Å |
| 65 | I | 92.6 | Very high | 90 | Very high | 130 Ų | 130 | 97.4 Ų | 97.4 | 67% | 0.667 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.4 | -44.8 | 175.3 | -61.1 | 172.6 | 0 | 0 | 0 | 110.9 | T63 R67 N68 E69 | T63-I65 PolarHBondContact O-N 3.47Å; I65-R67 PolarHBondContact O-N 3.48Å; I65-N68 PolarHBondContact O-N 2.93Å; I65-E69 WeakPolarHBondContact O-CG 3.41Å; I65-E69 PolarHBondContact O-N 3.39Å |
| 66 | M | 92.4 | Very high | 90.5 | Very high | 81 Ų | 81 | 102.1 Ų | 102.1 | 40% | 0.399 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64 | -41.9 | 178.8 | -70.5 | 171.1 | 68.1 | 0 | 0 | 111.5 | T63 E69 F70 | T63-M66 WeakPolarHBondContact O-CB 3.45Å; T63-M66 PolarHBondContact O-N 3.01Å; T63-M66 VanDerWaalsContact OG1-CG 3.32Å; T63-M66 WeakPolarHBondContact OG1-CG 3.43Å; T63-M66 PolarHBondContact OG1-N 2.9Å; M66-E69 PolarHBondContact O-N 2.87Å; M66-F70 HydrophobicContact CB-CE2 4.16Å; M66-F70 HydrophobicContact CE-CE2 4.26Å; M66-F70 HydrophobicContact CE-CZ 4.17Å; M66-F70 WeakPolarHBondContact O-CD2 3.41Å; M66-F70 VanDerWaalsContact O-CG 3.25Å; M66-F70 WeakPolarHBondContact O-CG 3.47Å; M66-F70 PolarHBondContact O-N 3.34Å |
| 67 | R | 91.3 | Very high | 90.8 | Very high | 116 Ų | 116 | 103.8 Ų | 103.8 | 44% | 0.438 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.5 | -47.5 | 177.7 | -166.8 | -177.1 | -56.8 | 140.5 | 7.4 | 111.6 | T63 E64 I65 E69 F70 E71 | T63-R67 PolarHBondContact O-N 3.23Å; E64-R67 PolarHBondContact O-N 2.98Å; I65-R67 PolarHBondContact O-N 3.48Å; R67-E69 VanDerWaalsContact C-N 3.31Å; R67-E69 PolarHBondContact O-N 2.96Å; R67-F70 PolarHBondContact O-N 2.95Å; R67-E71 WeakPolarHBondContact O-CG 3.48Å; R67-E71 PolarHBondContact O-N 3.45Å |
| 68 | N | 91.8 | Very high | 91 | Very high | 86 Ų | 86 | 105.7 Ų | 105.7 | 46% | 0.46 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.9 | -40.3 | 177.2 | -66.3 | -11.7 | 0 | 0 | 0 | 111.8 | E64 I65 E71 R72 | E64-N68 PolarHBondContact O-N 3.33Å; E64-N68 PolarHBondContact O-ND2 3.46Å; E64-N68 PolarHBondContact O-OD1 2.87Å; I65-N68 PolarHBondContact O-N 2.93Å; N68-E71 PolarHBondContact O-N 3.38Å; N68-R72 WeakPolarHBondContact O-CB 3.45Å; N68-R72 PolarHBondContact O-N 3.32Å |
| 69 | E | 91.6 | Very high | 91.4 | Very high | 71 Ų | 71 | 103.8 Ų | 103.8 | 33% | 0.332 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.1 | -39.1 | 175.3 | -77 | -59.7 | 142 | 0 | 0 | 112.7 | I65 M66 R67 R72 L73 | I65-E69 WeakPolarHBondContact O-CG 3.41Å; I65-E69 PolarHBondContact O-N 3.39Å; M66-E69 PolarHBondContact O-N 2.87Å; R67-E69 VanDerWaalsContact C-N 3.31Å; R67-E69 PolarHBondContact O-N 2.96Å; E69-R72 PolarHBondContact O-N 3.1Å; E69-R72 IonicContact OE1-NE 3.18Å; E69-R72 IonicContact OE2-CZ 3.68Å; E69-R72 IonicContact OE2-NE 3.95Å; E69-R72 PolarHBondContact OE2-NE 3.34Å; E69-R72 IonicContact OE2-NH2 2.71Å; E69-R72 PolarHBondContact OE2-NH2 2.6Å; E69-L73 WeakPolarHBondContact O-CB 3.48Å; E69-L73 VanDerWaalsContact O-CG 3.29Å; E69-L73 WeakPolarHBondContact O-CG 3.39Å; E69-L73 PolarHBondContact O-N 3.19Å |
| 70 | F | 91.9 | Very high | 91.5 | Very high | 99 Ų | 99 | 108.4 Ų | 108.4 | 43% | 0.434 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65 | -40.9 | 174.4 | -66.8 | -36.3 | 0 | 0 | 0 | 112 | E62 M66 R67 L73 A74 | E62-F70 HydrophobicContact CG-CE2 4.23Å; M66-F70 HydrophobicContact CB-CE2 4.16Å; M66-F70 HydrophobicContact CE-CE2 4.26Å; M66-F70 HydrophobicContact CE-CZ 4.17Å; M66-F70 WeakPolarHBondContact O-CD2 3.41Å; M66-F70 VanDerWaalsContact O-CG 3.25Å; M66-F70 WeakPolarHBondContact O-CG 3.47Å; M66-F70 PolarHBondContact O-N 3.34Å; R67-F70 PolarHBondContact O-N 2.95Å; F70-L73 PolarHBondContact O-N 2.87Å; F70-A74 VanDerWaalsContact O-CB 3.3Å; F70-A74 WeakPolarHBondContact O-CB 3.47Å; F70-A74 PolarHBondContact O-N 3Å |
| 71 | E | 93.5 | Very high | 91.5 | Very high | 120 Ų | 120 | 111 Ų | 111 | 56% | 0.561 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -62.3 | -44.7 | 173.5 | -74.1 | 179.2 | -170.9 | 0 | 0 | 111.8 | R67 N68 L73 A74 A75 | R67-E71 WeakPolarHBondContact O-CG 3.48Å; R67-E71 PolarHBondContact O-N 3.45Å; N68-E71 PolarHBondContact O-N 3.38Å; E71-L73 PolarHBondContact O-N 2.98Å; E71-A74 PolarHBondContact O-N 3.34Å; E71-A75 VanDerWaalsContact O-CB 3.32Å; E71-A75 WeakPolarHBondContact O-CB 3.23Å; E71-A75 PolarHBondContact O-N 3.38Å |
| 72 | R | 94.7 | Very high | 91.3 | Very high | 49 Ų | 49 | 109.5 Ų | 109.5 | 19% | 0.185 | 55% | 0.553 | C | S | . | * | H | α-helix | trans | -57.8 | -47 | 175 | -174 | -171.2 | 65.1 | 90.1 | -4.9 | 111.7 | N68 E69 A75 R76 Q77 P78 L79 | N68-R72 WeakPolarHBondContact O-CB 3.45Å; N68-R72 PolarHBondContact O-N 3.32Å; E69-R72 PolarHBondContact O-N 3.1Å; E69-R72 IonicContact OE1-NE 3.18Å; E69-R72 IonicContact OE2-CZ 3.68Å; E69-R72 IonicContact OE2-NE 3.95Å; E69-R72 PolarHBondContact OE2-NE 3.34Å; E69-R72 IonicContact OE2-NH2 2.71Å; E69-R72 PolarHBondContact OE2-NH2 2.6Å; R72-A75 CarbonylContact O-C 3.5Å; R72-A75 PolarHBondContact O-N 2.72Å; R72-R76 PolarHBondContact O-N 2.89Å; R72-R76 VanDerWaalsContact O-N 3.11Å; R72-Q77 HydrophobicContact CG-CB 3.68Å; R72-Q77 PolarHBondContact NH1-O 3.21Å; R72-Q77 PolarHBondContact O-N 3.11Å; R72-P78 VanDerWaalsContact NH1-C 3.33Å; R72-L79 VanDerWaalsContact NH1-CA 3.26Å |
| 73 | L | 93.6 | Very high | 90.8 | Very high | 100 Ų | 100 | 110.5 Ų | 110.5 | 52% | 0.524 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -65.1 | -42.1 | 178.1 | -73.4 | 172.9 | 0 | 0 | 0 | 112 | E69 F70 E71 A75 R76 | E69-L73 WeakPolarHBondContact O-CB 3.48Å; E69-L73 VanDerWaalsContact O-CG 3.29Å; E69-L73 WeakPolarHBondContact O-CG 3.39Å; E69-L73 PolarHBondContact O-N 3.19Å; F70-L73 PolarHBondContact O-N 2.87Å; E71-L73 PolarHBondContact O-N 2.98Å; L73-A75 VanDerWaalsContact C-N 3.3Å; L73-A75 PolarHBondContact O-N 2.9Å; L73-R76 WeakPolarHBondContact O-CA 3.33Å; L73-R76 PolarHBondContact O-N 3.37Å |
| 74 | A | 93.6 | Very high | 90.3 | Very high | 86 Ų | 86 | 112 Ų | 112 | 71% | 0.711 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -62.3 | -39.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | F70 E71 R76 | F70-A74 VanDerWaalsContact O-CB 3.3Å; F70-A74 WeakPolarHBondContact O-CB 3.47Å; F70-A74 PolarHBondContact O-N 3Å; E71-A74 PolarHBondContact O-N 3.34Å; A74-R76 PolarHBondContact O-N 2.91Å |
| 75 | A | 95.6 | Very high | 89.3 | Confident | 60 Ų | 60 | 112.4 Ų | 112.4 | 50% | 0.496 | 57% | 0.569 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.6 | -1.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | E71 R72 L73 Q77 | E71-A75 VanDerWaalsContact O-CB 3.32Å; E71-A75 WeakPolarHBondContact O-CB 3.23Å; E71-A75 PolarHBondContact O-N 3.38Å; R72-A75 CarbonylContact O-C 3.5Å; R72-A75 PolarHBondContact O-N 2.72Å; L73-A75 VanDerWaalsContact C-N 3.3Å; L73-A75 PolarHBondContact O-N 2.9Å; A75-Q77 HydrophobicContact CB-CG 3.96Å; A75-Q77 PolarHBondContact O-N 3.48Å |
| 76 | R | 94.7 | Very high | 88.4 | Confident | 230 Ų | 230 | 114.8 Ų | 114.8 | 87% | 0.868 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 53 | 31.7 | -176.2 | -59.3 | -178.1 | 175.7 | -177.6 | -1.4 | 113.3 | R72 L73 A74 | R72-R76 PolarHBondContact O-N 2.89Å; R72-R76 VanDerWaalsContact O-N 3.11Å; L73-R76 WeakPolarHBondContact O-CA 3.33Å; L73-R76 PolarHBondContact O-N 3.37Å; A74-R76 PolarHBondContact O-N 2.91Å |
| 77 | Q | 93.8 | Very high | 87.8 | Confident | 115 Ų | 115 | 118.5 Ų | 118.5 | 54% | 0.537 | 58% | 0.58 | S | S | . | * | P | Polyproline II helix | trans | -79.7 | 128.1 | 178.4 | -71.9 | -179.7 | -7.3 | 0 | 0 | 109.6 | R72 A75 | R72-Q77 HydrophobicContact CG-CB 3.68Å; R72-Q77 PolarHBondContact NH1-O 3.21Å; R72-Q77 PolarHBondContact O-N 3.11Å; A75-Q77 HydrophobicContact CB-CG 3.96Å; A75-Q77 PolarHBondContact O-N 3.48Å |
| 78 | P | 90.9 | Very high | 87.3 | Confident | 118 Ų | 118 | 118.1 Ų | 118.1 | 77% | 0.766 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 153.4 | 175.2 | 27.6 | -33.5 | 0 | 0 | 0 | 110.3 | R72 E80 | R72-P78 VanDerWaalsContact NH1-C 3.33Å; P78-E80 PolarHBondContact O-N 3.18Å |
| 79 | L | 90.5 | Very high | 86.9 | Confident | 105 Ų | 105 | 119.2 Ų | 119.2 | 55% | 0.55 | 59% | 0.589 | S | S | . | * | P | Polyproline II helix | trans | -69.1 | 133 | 178 | -174.4 | 70 | 0 | 0 | 0 | 108.2 | R72 L81 | R72-L79 VanDerWaalsContact NH1-CA 3.26Å; L79-L81 PolarHBondContact O-N 2.87Å |
| 80 | E | 85.7 | Confident | 86.5 | Confident | 179 Ų | 179 | 118.7 Ų | 118.7 | 84% | 0.836 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 122 | 172.1 | -169.9 | 171.8 | -176.1 | 0 | 0 | 108.9 | P78 | P78-E80 PolarHBondContact O-N 3.18Š|
| 81 | L | 84.8 | Confident | 86.1 | Confident | 152 Ų | 152 | 117.7 Ų | 117.7 | 80% | 0.796 | 60% | 0.602 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 136.5 | 178.3 | -64.8 | 174.2 | 0 | 0 | 0 | 109.2 | L79 S83 | L79-L81 PolarHBondContact O-N 2.87Å; L81-S83 PolarHBondContact O-N 3.12Å; L81-S83 VanDerWaalsContact O-N 3.14Å |
| 82 | L | 81.8 | Confident | 85.8 | Confident | 128 Ų | 128 | 112.5 Ų | 112.5 | 67% | 0.67 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 120.5 | 173.9 | -163.6 | 89.2 | 0 | 0 | 0 | 109.5 | M84 | L82-M84 HydrophobicContact CD2-CE 3.71Å; L82-M84 HydrophobicContact CD2-SD 4.09Å; L82-M84 PolarHBondContact O-N 2.91Å |
| 83 | S | 78.3 | Confident | 85.5 | Confident | 76 Ų | 76 | 113 Ų | 113 | 53% | 0.531 | 59% | 0.59 | S | S | . | * | trans | -72.4 | 114 | 176.1 | -178.8 | 0 | 0 | 0 | 0 | 110.4 | L81 K85 | L81-S83 PolarHBondContact O-N 3.12Å; L81-S83 VanDerWaalsContact O-N 3.14Å; S83-K85 VanDerWaalsContact C-N 3.27Å | ||
| 84 | M | 80.4 | Confident | 85 | Confident | 109 Ų | 109 | 113.4 Ų | 113.4 | 54% | 0.537 | 60% | 0.601 | S | S | . | * | G | 310 helix | trans | -79.7 | -10 | 174.4 | -64.4 | -60.3 | 178.1 | 0 | 0 | 113.3 | L82 R86 Y87 | L82-M84 HydrophobicContact CD2-CE 3.71Å; L82-M84 HydrophobicContact CD2-SD 4.09Å; L82-M84 PolarHBondContact O-N 2.91Å; M84-R86 PolarHBondContact O-N 3.09Å; M84-Y87 PolarHBondContact O-N 3.17Å; M84-Y87 HydrophobicContact SD-CD2 4Å; M84-Y87 HydrophobicContact SD-CE2 4.31Å |
| 85 | K | 72.6 | Confident | 84.6 | Confident | 150 Ų | 150 | 113 Ų | 113 | 65% | 0.652 | 61% | 0.605 | S | S | * | * | G | 310 helix | trans | -57.4 | -27.7 | -178.8 | -66.9 | -175.8 | 176.4 | -179.3 | 0 | 113.1 | S83 Y87 E88 | S83-K85 VanDerWaalsContact C-N 3.27Å; K85-Y87 PolarHBondContact O-N 2.95Å; K85-E88 PolarHBondContact O-N 2.84Å |
| 86 | R | 73.6 | Confident | 84.2 | Confident | 180 Ų | 180 | 114.4 Ų | 114.4 | 68% | 0.679 | 60% | 0.601 | S | S | * | * | G | 310 helix | trans | -66.4 | -24.6 | 176.3 | -179.5 | 175.6 | -74.5 | -164.5 | -1.3 | 113.1 | M84 N109 Q113 | M84-R86 PolarHBondContact O-N 3.09Å; R86-N109 PolarHBondContact O-OD1 3.48Å; R86-Q113 PolarHBondContact O-NE2 3.45Å |
| 87 | Y | 79.1 | Confident | 83.8 | Confident | 159 Ų | 159 | 109.3 Ų | 109.3 | 62% | 0.624 | 59% | 0.585 | S | S | * | * | G | 310 helix | trans | -98 | 0.5 | 179.4 | -55.4 | -67.3 | 0 | 0 | 0 | 113 | M84 K85 | M84-Y87 PolarHBondContact O-N 3.17Å; M84-Y87 HydrophobicContact SD-CD2 4Å; M84-Y87 HydrophobicContact SD-CE2 4.31Å; K85-Y87 PolarHBondContact O-N 2.95Å |
| 88 | E | 81.3 | Confident | 83.6 | Confident | 109 Ų | 109 | 111.7 Ų | 111.7 | 51% | 0.509 | 60% | 0.602 | S | S | . | * | S | Bend | trans | -105.3 | 159.3 | 175.8 | -64.5 | 173.5 | -177.6 | 0 | 0 | 109.2 | K85 P90 N109 Q113 | K85-E88 PolarHBondContact O-N 2.84Å; E88-P90 WeakPolarHBondContact O-CD 3.31Å; E88-N109 PolarHBondContact O-ND2 3.34Å; E88-Q113 PolarHBondContact O-NE2 3.18Å |
| 89 | L | 82.9 | Confident | 83.6 | Confident | 109 Ų | 109 | 109.2 Ų | 109.2 | 57% | 0.571 | 58% | 0.582 | S | S | * | * | trans | -110.4 | 62.4 | 172.8 | -65.7 | 167.9 | 0 | 0 | 0 | 109.9 | S110 Q113 | L89-S110 WeakPolarHBondContact CD2-OG 3.25Å; L89-Q113 HydrophobicContact CD2-CB 4.37Å; L89-Q113 HydrophobicContact CD2-CG 4.42Å; L89-Q113 VanDerWaalsContact CD2-OE1 3.25Å | ||
| 90 | P | 82.4 | Confident | 83.7 | Confident | 60 Ų | 60 | 110 Ų | 110 | 39% | 0.39 | 59% | 0.586 | S | S | . | * | P | Polyproline II helix | trans | -69.6 | 137.9 | -179.3 | 31 | -34.5 | 0 | 0 | 0 | 109.7 | E88 C106 | E88-P90 WeakPolarHBondContact O-CD 3.31Å; P90-C106 PolarHBondContact O-SG 3.36Å |
| 91 | A | 84.3 | Confident | 84 | Confident | 78 Ų | 78 | 105.1 Ų | 105.1 | 65% | 0.645 | 57% | 0.568 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 158.6 | 164.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | S93 | A91-S93 PolarHBondContact O-N 3.33Š|
| 92 | P | 87.2 | Confident | 84.2 | Confident | 10 Ų | 10 | 98.3 Ų | 98.3 | 7% | 0.065 | 53% | 0.534 | C | S | . | . | P | Polyproline II helix | trans | -54.5 | 142.3 | 171.9 | -25.5 | 35.6 | 0 | 0 | 0 | 110.9 | Q96 A102 W103 C106 | P92-Q96 HydrophobicContact CB-CB 4.25Å; P92-A102 HydrophobicContact CB-CB 4.16Å; P92-A102 HydrophobicContact CG-CB 4.46Å; P92-W103 HydrophobicContact CG-CD2 3.59Å; P92-W103 HydrophobicContact CG-CE3 3.79Å; P92-W103 HydrophobicContact CG-CG 3.99Å; P92-W103 HydrophobicContact CG-CH2 4.33Å; P92-W103 HydrophobicContact CG-CZ2 4.15Å; P92-W103 HydrophobicContact CG-CZ3 4.15Å; P92-C106 VanDerWaalsContact CD-SG 3.55Å; P92-C106 HydrophobicContact CG-CB 4.48Å |
| 93 | S | 87.3 | Confident | 84.5 | Confident | 61 Ų | 61 | 98 Ų | 98 | 43% | 0.427 | 52% | 0.524 | S | S | . | . | P | Polyproline II helix | trans | -60 | 157.3 | 178.8 | 71.6 | 0 | 0 | 0 | 0 | 111.2 | A91 G95 Q96 K97 | A91-S93 PolarHBondContact O-N 3.33Å; S93-G95 PolarHBondContact O-N 3.03Å; S93-Q96 PolarHBondContact O-N 2.67Å; S93-Q96 WeakPolarHBondContact OG-CG 3.42Å; S93-Q96 PolarHBondContact OG-OE1 2.95Å; S93-K97 PolarHBondContact O-N 2.95Å |
| 94 | S | 83.9 | Confident | 85.2 | Confident | 108 Ų | 108 | 99.4 Ų | 99.4 | 76% | 0.755 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.5 | -33 | -176.4 | -49.4 | 0 | 0 | 0 | 0 | 113.9 | ||
| 95 | G | 85.5 | Confident | 85.6 | Confident | 78 Ų | 78 | 99.2 Ų | 99.2 | 80% | 0.804 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -12.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | S93 | S93-G95 PolarHBondContact O-N 3.03Š|
| 96 | Q | 87.8 | Confident | 86.3 | Confident | 88 Ų | 88 | 93.3 Ų | 93.3 | 41% | 0.411 | 50% | 0.5 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.4 | 5.4 | -176.9 | -67.9 | 173.9 | -55.9 | 0 | 0 | 113 | P92 S93 N98 D99 A102 | P92-Q96 HydrophobicContact CB-CB 4.25Å; S93-Q96 PolarHBondContact O-N 2.67Å; S93-Q96 WeakPolarHBondContact OG-CG 3.42Å; S93-Q96 PolarHBondContact OG-OE1 2.95Å; Q96-N98 PolarHBondContact O-N 3.47Å; Q96-N98 VanDerWaalsContact O-N 3.17Å; Q96-D99 HydrophobicContact CB-CB 4.5Å; Q96-D99 WeakPolarHBondContact O-CB 3.46Å; Q96-D99 PolarHBondContact O-N 3.32Å; Q96-A102 HydrophobicContact CB-CB 3.9Å |
| 97 | K | 85.3 | Confident | 87.1 | Confident | 123 Ų | 123 | 88 Ų | 88 | 54% | 0.535 | 49% | 0.488 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -23.7 | -177.5 | -70.5 | -174.5 | 175.2 | -177.2 | 0 | 114.5 | S93 W103 | S93-K97 PolarHBondContact O-N 2.95Å; K97-W103 PolarHBondContact O-NE1 2.93Å |
| 98 | N | 89.2 | Confident | 87.7 | Confident | 166 Ų | 166 | 84.9 Ų | 84.9 | 89% | 0.888 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | -3.4 | 176.2 | -63.3 | -19.3 | 0 | 0 | 0 | 112.6 | Q96 | Q96-N98 PolarHBondContact O-N 3.47Å; Q96-N98 VanDerWaalsContact O-N 3.17Å |
| 99 | D | 92.1 | Very high | 88.1 | Confident | 65 Ų | 65 | 81.4 Ų | 81.4 | 35% | 0.348 | 47% | 0.467 | S | S | . | . | trans | -90.3 | 111.8 | 180 | 179.1 | 4.6 | 0 | 0 | 0 | 110 | Q96 T101 A102 W103 | Q96-D99 HydrophobicContact CB-CB 4.5Å; Q96-D99 WeakPolarHBondContact O-CB 3.46Å; Q96-D99 PolarHBondContact O-N 3.32Å; D99-T101 VanDerWaalsContact CG-OG1 3.24Å; D99-T101 PolarHBondContact O-N 3.37Å; D99-T101 PolarHBondContact OD1-N 2.85Å; D99-T101 PolarHBondContact OD1-OG1 3.3Å; D99-T101 PolarHBondContact OD2-OG1 2.95Å; D99-A102 HydrophobicContact CB-CB 4.17Å; D99-A102 PolarHBondContact O-N 3.49Å; D99-W103 VanDerWaalsContact O-CD1 3.28Å; D99-W103 PolarHBondContact O-N 2.94Å | ||
| 100 | I | 91.8 | Very high | 88.4 | Confident | 123 Ų | 123 | 78.7 Ų | 78.7 | 63% | 0.631 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -62.2 | -33.7 | -178.5 | -62.5 | 171.2 | 0 | 0 | 0 | 110.8 | W103 Q104 | I100-W103 PolarHBondContact O-N 2.85Å; I100-Q104 HydrophobicContact CG2-CG 4.39Å; I100-Q104 WeakPolarHBondContact O-CG 3.46Å; I100-Q104 PolarHBondContact O-N 3.4Å |
| 101 | T | 91.9 | Very high | 88.8 | Confident | 76 Ų | 76 | 81.3 Ų | 81.3 | 47% | 0.466 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -69.4 | -42.7 | -178 | 61.6 | 0 | 0 | 0 | 0 | 111.5 | D99 W103 Q104 D105 | D99-T101 VanDerWaalsContact CG-OG1 3.24Å; D99-T101 PolarHBondContact O-N 3.37Å; D99-T101 PolarHBondContact OD1-N 2.85Å; D99-T101 PolarHBondContact OD1-OG1 3.3Å; D99-T101 PolarHBondContact OD2-OG1 2.95Å; T101-W103 VanDerWaalsContact C-N 3.27Å; T101-W103 PolarHBondContact O-N 3.5Å; T101-Q104 WeakPolarHBondContact O-CB 3.29Å; T101-Q104 PolarHBondContact O-N 2.92Å; T101-Q104 VanDerWaalsContact O-N 3.08Å; T101-D105 PolarHBondContact O-N 3.47Å |
| 102 | A | 88.6 | Confident | 89.1 | Confident | 9 Ų | 9 | 79.7 Ų | 79.7 | 7% | 0.074 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -58.1 | -37.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | P92 Q96 D99 C106 | P92-A102 HydrophobicContact CB-CB 4.16Å; P92-A102 HydrophobicContact CG-CB 4.46Å; Q96-A102 HydrophobicContact CB-CB 3.9Å; D99-A102 HydrophobicContact CB-CB 4.17Å; D99-A102 PolarHBondContact O-N 3.49Å; A102-C106 PolarHBondContact O-N 3.46Å; A102-C106 PolarHBondContact O-SG 3.12Å; A102-C106 VanDerWaalsContact O-SG 3.36Å |
| 103 | W | 89.7 | Confident | 89.3 | Confident | 120 Ų | 120 | 80.7 Ų | 80.7 | 46% | 0.455 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -69 | -41.3 | 173.3 | -77.1 | 104.9 | 0 | 0 | 0 | 112.8 | P92 K97 D99 I100 T101 D105 C106 V107 | P92-W103 HydrophobicContact CG-CD2 3.59Å; P92-W103 HydrophobicContact CG-CE3 3.79Å; P92-W103 HydrophobicContact CG-CG 3.99Å; P92-W103 HydrophobicContact CG-CH2 4.33Å; P92-W103 HydrophobicContact CG-CZ2 4.15Å; P92-W103 HydrophobicContact CG-CZ3 4.15Å; K97-W103 PolarHBondContact O-NE1 2.93Å; D99-W103 VanDerWaalsContact O-CD1 3.28Å; D99-W103 PolarHBondContact O-N 2.94Å; I100-W103 PolarHBondContact O-N 2.85Å; T101-W103 VanDerWaalsContact C-N 3.27Å; T101-W103 PolarHBondContact O-N 3.5Å; W103-D105 VanDerWaalsContact C-N 3.32Å; W103-D105 PolarHBondContact O-N 3.38Å; W103-C106 PolarHBondContact O-N 3.44Å; W103-V107 VanDerWaalsContact O-CG2 3.31Å; W103-V107 WeakPolarHBondContact O-CG2 3.49Å; W103-V107 PolarHBondContact O-N 3.22Å |
| 104 | Q | 91.7 | Very high | 89.5 | Confident | 107 Ų | 107 | 83.6 Ų | 83.6 | 50% | 0.5 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -59.9 | -42.6 | 175.6 | -74.2 | 171.6 | -13.7 | 0 | 0 | 111.3 | I100 T101 V107 N108 | I100-Q104 HydrophobicContact CG2-CG 4.39Å; I100-Q104 WeakPolarHBondContact O-CG 3.46Å; I100-Q104 PolarHBondContact O-N 3.4Å; T101-Q104 WeakPolarHBondContact O-CB 3.29Å; T101-Q104 PolarHBondContact O-N 2.92Å; T101-Q104 VanDerWaalsContact O-N 3.08Å; Q104-V107 PolarHBondContact O-N 3.36Å; Q104-N108 WeakPolarHBondContact O-CB 3.31Å; Q104-N108 PolarHBondContact O-N 3.38Å; Q104-N108 PolarHBondContact O-ND2 3Å |
| 105 | D | 88.8 | Confident | 90 | Very high | 104 Ų | 104 | 84.4 Ų | 84.4 | 56% | 0.556 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -63.6 | -43.8 | 177.3 | -72.2 | -18.4 | 0 | 0 | 0 | 112.1 | T101 W103 V107 N108 N109 | T101-D105 PolarHBondContact O-N 3.47Å; W103-D105 VanDerWaalsContact C-N 3.32Å; W103-D105 PolarHBondContact O-N 3.38Å; D105-V107 VanDerWaalsContact C-N 3.34Å; D105-V107 PolarHBondContact O-N 3.34Å; D105-N108 PolarHBondContact O-N 3.27Å; D105-N109 WeakPolarHBondContact O-CB 3.36Å; D105-N109 PolarHBondContact O-N 3.5Å |
| 106 | C | 88.4 | Confident | 90.3 | Very high | 26 Ų | 26 | 87 Ų | 87 | 18% | 0.176 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -60.9 | -41.6 | 174.3 | -73.8 | 0 | 0 | 0 | 0 | 112.1 | P90 P92 A102 W103 S110 | P90-C106 PolarHBondContact O-SG 3.36Å; P92-C106 VanDerWaalsContact CD-SG 3.55Å; P92-C106 HydrophobicContact CG-CB 4.48Å; A102-C106 PolarHBondContact O-N 3.46Å; A102-C106 PolarHBondContact O-SG 3.12Å; A102-C106 VanDerWaalsContact O-SG 3.36Å; W103-C106 PolarHBondContact O-N 3.44Å; C106-S110 WeakPolarHBondContact O-CB 3.46Å; C106-S110 PolarHBondContact O-N 2.9Å; C106-S110 PolarHBondContact O-OG 2.97Å |
| 107 | V | 90.6 | Very high | 90.6 | Very high | 68 Ų | 68 | 87.5 Ų | 87.5 | 41% | 0.412 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -66.3 | -46.6 | 177 | 170.7 | 0 | 0 | 0 | 0 | 111 | W103 Q104 D105 N109 S110 M111 | W103-V107 VanDerWaalsContact O-CG2 3.31Å; W103-V107 WeakPolarHBondContact O-CG2 3.49Å; W103-V107 PolarHBondContact O-N 3.22Å; Q104-V107 PolarHBondContact O-N 3.36Å; D105-V107 VanDerWaalsContact C-N 3.34Å; D105-V107 PolarHBondContact O-N 3.34Å; V107-N109 VanDerWaalsContact C-N 3.34Å; V107-N109 PolarHBondContact O-N 3.42Å; V107-S110 WeakPolarHBondContact O-CB 3.43Å; V107-S110 PolarHBondContact O-N 2.89Å; V107-S110 VanDerWaalsContact O-N 3.11Å; V107-M111 HydrophobicContact CG1-CE 3.46Å; V107-M111 VanDerWaalsContact CG1-CE 3.46Å; V107-M111 HydrophobicContact CG1-CG 4.47Å; V107-M111 HydrophobicContact CG1-SD 4.18Å; V107-M111 WeakPolarHBondContact O-CG 3.25Å; V107-M111 PolarHBondContact O-N 3.27Å |
| 108 | N | 90.6 | Very high | 91.1 | Very high | 94 Ų | 94 | 84.1 Ų | 84.1 | 50% | 0.503 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -59.7 | -43.9 | 177.5 | -71.2 | -23.3 | 0 | 0 | 0 | 111.5 | Q104 D105 S110 M111 A112 | Q104-N108 WeakPolarHBondContact O-CB 3.31Å; Q104-N108 PolarHBondContact O-N 3.38Å; Q104-N108 PolarHBondContact O-ND2 3Å; D105-N108 PolarHBondContact O-N 3.27Å; N108-S110 VanDerWaalsContact C-N 3.33Å; N108-S110 PolarHBondContact O-N 3.4Å; N108-M111 PolarHBondContact O-N 3.48Å; N108-A112 WeakPolarHBondContact O-CB 3.45Å; N108-A112 PolarHBondContact O-N 3.25Å |
| 109 | N | 89.4 | Confident | 91.4 | Very high | 36 Ų | 36 | 79.4 Ų | 79.4 | 19% | 0.193 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -62.9 | -39.9 | 174.8 | -176.8 | 61.9 | 0 | 0 | 0 | 111.6 | R86 E88 D105 V107 A112 Q113 | R86-N109 PolarHBondContact O-OD1 3.48Å; E88-N109 PolarHBondContact O-ND2 3.34Å; D105-N109 WeakPolarHBondContact O-CB 3.36Å; D105-N109 PolarHBondContact O-N 3.5Å; V107-N109 VanDerWaalsContact C-N 3.34Å; V107-N109 PolarHBondContact O-N 3.42Å; N109-A112 PolarHBondContact O-N 2.98Å; N109-Q113 PolarHBondContact ND2-NE2 3.09Å; N109-Q113 WeakPolarHBondContact O-CG 3.37Å; N109-Q113 PolarHBondContact O-N 3.31Å |
| 110 | S | 90.2 | Very high | 91.7 | Very high | 52 Ų | 52 | 83.4 Ų | 83.4 | 36% | 0.364 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -64.9 | -43.3 | 176.9 | -55.8 | 0 | 0 | 0 | 0 | 112.5 | L89 C106 V107 N108 Q113 L114 | L89-S110 WeakPolarHBondContact CD2-OG 3.25Å; C106-S110 WeakPolarHBondContact O-CB 3.46Å; C106-S110 PolarHBondContact O-N 2.9Å; C106-S110 PolarHBondContact O-OG 2.97Å; V107-S110 WeakPolarHBondContact O-CB 3.43Å; V107-S110 PolarHBondContact O-N 2.89Å; V107-S110 VanDerWaalsContact O-N 3.11Å; N108-S110 VanDerWaalsContact C-N 3.33Å; N108-S110 PolarHBondContact O-N 3.4Å; S110-Q113 PolarHBondContact O-N 2.6Å; S110-L114 PolarHBondContact O-N 2.97Å |
| 111 | M | 91.4 | Very high | 91.9 | Very high | 115 Ų | 115 | 82 Ų | 82 | 57% | 0.567 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -62.4 | -47.2 | 174.9 | -71 | 175.8 | -177.9 | 0 | 0 | 111.1 | V107 N108 Q113 L114 E115 | V107-M111 HydrophobicContact CG1-CE 3.46Å; V107-M111 VanDerWaalsContact CG1-CE 3.46Å; V107-M111 HydrophobicContact CG1-CG 4.47Å; V107-M111 HydrophobicContact CG1-SD 4.18Å; V107-M111 WeakPolarHBondContact O-CG 3.25Å; V107-M111 PolarHBondContact O-N 3.27Å; N108-M111 PolarHBondContact O-N 3.48Å; M111-Q113 VanDerWaalsContact C-N 3.29Å; M111-Q113 PolarHBondContact O-N 3.22Å; M111-L114 WeakPolarHBondContact O-CB 3.45Å; M111-L114 PolarHBondContact O-N 3.19Å; M111-E115 PolarHBondContact O-N 2.92Å; M111-E115 VanDerWaalsContact O-N 3.09Å |
| 112 | A | 90.6 | Very high | 92.2 | Very high | 45 Ų | 45 | 84 Ų | 84 | 37% | 0.372 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -59 | -41.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | N108 N109 E115 H116 | N108-A112 WeakPolarHBondContact O-CB 3.45Å; N108-A112 PolarHBondContact O-N 3.25Å; N109-A112 PolarHBondContact O-N 2.98Å; A112-E115 PolarHBondContact O-N 3.14Å; A112-H116 WeakPolarHBondContact O-CB 3.42Å; A112-H116 PolarHBondContact O-CD2 2.95Å; A112-H116 PolarHBondContact O-N 2.65Å |
| 113 | Q | 90.4 | Very high | 92.7 | Very high | 30 Ų | 30 | 87.6 Ų | 87.6 | 14% | 0.14 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -66.8 | -38.8 | 176.7 | -77.3 | -171.4 | 23.6 | 0 | 0 | 113.2 | R86 E88 L89 N109 S110 M111 E115 H116 Q117 | R86-Q113 PolarHBondContact O-NE2 3.45Å; E88-Q113 PolarHBondContact O-NE2 3.18Å; L89-Q113 HydrophobicContact CD2-CB 4.37Å; L89-Q113 HydrophobicContact CD2-CG 4.42Å; L89-Q113 VanDerWaalsContact CD2-OE1 3.25Å; N109-Q113 PolarHBondContact ND2-NE2 3.09Å; N109-Q113 WeakPolarHBondContact O-CG 3.37Å; N109-Q113 PolarHBondContact O-N 3.31Å; S110-Q113 PolarHBondContact O-N 2.6Å; M111-Q113 VanDerWaalsContact C-N 3.29Å; M111-Q113 PolarHBondContact O-N 3.22Å; Q113-E115 VanDerWaalsContact C-N 3.35Å; Q113-H116 PolarHBondContact O-N 3.14Å; Q113-Q117 WeakPolarHBondContact O-CG 3.29Å; Q113-Q117 PolarHBondContact O-N 2.82Å |
| 114 | L | 92.1 | Very high | 93.1 | Very high | 122 Ų | 122 | 85.9 Ų | 85.9 | 64% | 0.639 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -58.8 | -48.3 | 175.8 | -179.7 | 64.1 | 0 | 0 | 0 | 110.9 | S110 M111 H116 Q117 A118 | S110-L114 PolarHBondContact O-N 2.97Å; M111-L114 WeakPolarHBondContact O-CB 3.45Å; M111-L114 PolarHBondContact O-N 3.19Å; L114-H116 PolarHBondContact O-N 3.18Å; L114-Q117 PolarHBondContact O-N 3.11Å; L114-A118 PolarHBondContact O-N 3.08Å |
| 115 | E | 93.8 | Very high | 93.3 | Very high | 125 Ų | 125 | 86.1 Ų | 86.1 | 58% | 0.584 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -62.7 | -41.7 | 176.5 | -65.3 | -57.3 | 150.9 | 0 | 0 | 111.7 | M111 A112 Q113 Q117 A118 V119 | M111-E115 PolarHBondContact O-N 2.92Å; M111-E115 VanDerWaalsContact O-N 3.09Å; A112-E115 PolarHBondContact O-N 3.14Å; Q113-E115 VanDerWaalsContact C-N 3.35Å; E115-Q117 VanDerWaalsContact C-N 3.3Å; E115-Q117 PolarHBondContact O-N 3.46Å; E115-A118 WeakPolarHBondContact O-CB 3.26Å; E115-A118 PolarHBondContact O-N 2.78Å; E115-V119 WeakPolarHBondContact O-CG2 3.35Å; E115-V119 PolarHBondContact O-N 2.95Å |
| 116 | H | 92.5 | Very high | 93.8 | Very high | 132 Ų | 132 | 85.2 Ų | 85.2 | 61% | 0.611 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -60.9 | -36.4 | 174.2 | -81.5 | -59 | 0 | 0 | 0 | 113 | A112 Q113 L114 R120 | A112-H116 WeakPolarHBondContact O-CB 3.42Å; A112-H116 PolarHBondContact O-CD2 2.95Å; A112-H116 PolarHBondContact O-N 2.65Å; Q113-H116 PolarHBondContact O-N 3.14Å; L114-H116 PolarHBondContact O-N 3.18Å; H116-R120 VanDerWaalsContact O-CB 3.25Å; H116-R120 WeakPolarHBondContact O-CB 3.43Å; H116-R120 PolarHBondContact O-N 3.29Å |
| 117 | Q | 92.9 | Very high | 94.2 | Very high | 100 Ų | 100 | 89.7 Ų | 89.7 | 47% | 0.467 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -69.6 | -39.1 | 174.9 | -67.6 | -61.3 | -19.7 | 0 | 0 | 111.6 | Q113 L114 E115 R120 I121 | Q113-Q117 WeakPolarHBondContact O-CG 3.29Å; Q113-Q117 PolarHBondContact O-N 2.82Å; L114-Q117 PolarHBondContact O-N 3.11Å; E115-Q117 VanDerWaalsContact C-N 3.3Å; E115-Q117 PolarHBondContact O-N 3.46Å; Q117-R120 WeakPolarHBondContact O-CB 3.39Å; Q117-R120 PolarHBondContact O-N 3.35Å; Q117-I121 WeakPolarHBondContact O-CG1 3.19Å; Q117-I121 PolarHBondContact O-N 2.87Å |
| 118 | A | 96 | Very high | 94.5 | Very high | 52 Ų | 52 | 90.2 Ų | 90.2 | 43% | 0.43 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -59.6 | -49.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | L114 E115 R120 I121 E122 | L114-A118 PolarHBondContact O-N 3.08Å; E115-A118 WeakPolarHBondContact O-CB 3.26Å; E115-A118 PolarHBondContact O-N 2.78Å; A118-R120 VanDerWaalsContact C-N 3.3Å; A118-R120 PolarHBondContact O-N 3.23Å; A118-I121 PolarHBondContact O-N 3.07Å; A118-I121 VanDerWaalsContact O-N 3.17Å; A118-E122 PolarHBondContact O-N 3.3Å; A118-E122 VanDerWaalsContact O-N 3.1Å |
| 119 | V | 97 | Very high | 94.8 | Very high | 67 Ų | 67 | 92.2 Ų | 92.2 | 41% | 0.406 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.4 | -36.9 | 175.5 | 172.5 | 0 | 0 | 0 | 0 | 111.8 | E115 I121 E122 N123 | E115-V119 WeakPolarHBondContact O-CG2 3.35Å; E115-V119 PolarHBondContact O-N 2.95Å; V119-I121 VanDerWaalsContact C-N 3.34Å; V119-E122 PolarHBondContact O-N 2.85Å; V119-N123 WeakPolarHBondContact CG1-ND2 3.46Å; V119-N123 WeakPolarHBondContact O-CB 3.43Å; V119-N123 PolarHBondContact O-N 2.71Å; V119-N123 PolarHBondContact O-ND2 3.34Å; V119-N123 VanDerWaalsContact O-ND2 3.15Å |
| 120 | R | 96.4 | Very high | 95.2 | Very high | 148 Ų | 148 | 98 Ų | 98 | 56% | 0.558 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.8 | -41.6 | 175.7 | 179.8 | 179.2 | 179.6 | 149.4 | 0.3 | 111.5 | H116 Q117 A118 N123 L124 | H116-R120 VanDerWaalsContact O-CB 3.25Å; H116-R120 WeakPolarHBondContact O-CB 3.43Å; H116-R120 PolarHBondContact O-N 3.29Å; Q117-R120 WeakPolarHBondContact O-CB 3.39Å; Q117-R120 PolarHBondContact O-N 3.35Å; A118-R120 VanDerWaalsContact C-N 3.3Å; A118-R120 PolarHBondContact O-N 3.23Å; R120-N123 PolarHBondContact O-N 3.02Å; R120-L124 HydrophobicContact CG-CD1 4Å; R120-L124 HydrophobicContact CG-CG 4.38Å; R120-L124 WeakPolarHBondContact O-CB 3.31Å; R120-L124 VanDerWaalsContact O-CG 3.24Å; R120-L124 WeakPolarHBondContact O-CG 3.39Å; R120-L124 PolarHBondContact O-N 3.25Å |
| 121 | I | 97.8 | Very high | 95.5 | Very high | 95 Ų | 95 | 96.7 Ų | 96.7 | 49% | 0.487 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.1 | -49.4 | 176.9 | -68.7 | 164.5 | 0 | 0 | 0 | 109.6 | Q117 A118 V119 N123 L124 E125 | Q117-I121 WeakPolarHBondContact O-CG1 3.19Å; Q117-I121 PolarHBondContact O-N 2.87Å; A118-I121 PolarHBondContact O-N 3.07Å; A118-I121 VanDerWaalsContact O-N 3.17Å; V119-I121 VanDerWaalsContact C-N 3.34Å; I121-N123 VanDerWaalsContact C-N 3.34Å; I121-N123 PolarHBondContact O-N 2.85Å; I121-L124 PolarHBondContact O-N 3.07Å; I121-L124 VanDerWaalsContact O-N 3.08Å; I121-E125 HydrophobicContact CG2-CG 4.44Å; I121-E125 WeakPolarHBondContact O-CG 2.98Å; I121-E125 PolarHBondContact O-N 3.29Å |
| 122 | E | 97.8 | Very high | 95.8 | Very high | 116 Ų | 116 | 95.6 Ų | 95.6 | 54% | 0.542 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -56.1 | -46.4 | 176.6 | -176.2 | -178.5 | -177.6 | 0 | 0 | 111.9 | A118 V119 L124 E125 L126 | A118-E122 PolarHBondContact O-N 3.3Å; A118-E122 VanDerWaalsContact O-N 3.1Å; V119-E122 PolarHBondContact O-N 2.85Å; E122-L124 VanDerWaalsContact C-N 3.34Å; E122-L124 PolarHBondContact O-N 3.18Å; E122-E125 PolarHBondContact O-N 3.46Å; E122-L126 WeakPolarHBondContact O-CG 2.99Å; E122-L126 PolarHBondContact O-N 2.82Å |
| 123 | N | 97.9 | Very high | 96.1 | Very high | 86 Ų | 86 | 98.2 Ų | 98.2 | 46% | 0.46 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.6 | -37.6 | 176.8 | -75.9 | -37 | 0 | 0 | 0 | 112.9 | V119 R120 I121 L126 M127 | V119-N123 WeakPolarHBondContact CG1-ND2 3.46Å; V119-N123 WeakPolarHBondContact O-CB 3.43Å; V119-N123 PolarHBondContact O-N 2.71Å; V119-N123 PolarHBondContact O-ND2 3.34Å; V119-N123 VanDerWaalsContact O-ND2 3.15Å; R120-N123 PolarHBondContact O-N 3.02Å; I121-N123 VanDerWaalsContact C-N 3.34Å; I121-N123 PolarHBondContact O-N 2.85Å; N123-L126 PolarHBondContact O-N 3.42Å; N123-M127 WeakPolarHBondContact O-CB 3.09Å; N123-M127 PolarHBondContact O-N 3.45Å |
| 124 | L | 97.9 | Very high | 96.4 | Very high | 84 Ų | 84 | 99.8 Ų | 99.8 | 44% | 0.44 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -69.7 | -35.9 | 176.6 | -75.2 | 172.6 | 0 | 0 | 0 | 111.7 | R120 I121 E122 M127 A128 | R120-L124 HydrophobicContact CG-CD1 4Å; R120-L124 HydrophobicContact CG-CG 4.38Å; R120-L124 WeakPolarHBondContact O-CB 3.31Å; R120-L124 VanDerWaalsContact O-CG 3.24Å; R120-L124 WeakPolarHBondContact O-CG 3.39Å; R120-L124 PolarHBondContact O-N 3.25Å; I121-L124 PolarHBondContact O-N 3.07Å; I121-L124 VanDerWaalsContact O-N 3.08Å; E122-L124 VanDerWaalsContact C-N 3.34Å; E122-L124 PolarHBondContact O-N 3.18Å; L124-M127 HydrophobicContact CD2-CE 4.3Å; L124-M127 PolarHBondContact O-N 3.44Å; L124-A128 VanDerWaalsContact O-CB 3.32Å; L124-A128 WeakPolarHBondContact O-CB 3.01Å; L124-A128 PolarHBondContact O-N 2.96Å |
| 125 | E | 97.6 | Very high | 96.7 | Very high | 111 Ų | 111 | 101.3 Ų | 101.3 | 52% | 0.519 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.9 | -48.6 | 172.6 | -71.7 | 175.4 | 171.6 | 0 | 0 | 110.4 | I121 E122 M127 A128 H129 | I121-E125 HydrophobicContact CG2-CG 4.44Å; I121-E125 WeakPolarHBondContact O-CG 2.98Å; I121-E125 PolarHBondContact O-N 3.29Å; E122-E125 PolarHBondContact O-N 3.46Å; E125-M127 VanDerWaalsContact C-N 3.3Å; E125-M127 PolarHBondContact O-N 2.89Å; E125-A128 PolarHBondContact O-N 3.4Å; E125-H129 PolarHBondContact O-CD2 3.39Å; E125-H129 PolarHBondContact O-N 2.96Å |
| 126 | L | 97.7 | Very high | 96.9 | Very high | 85 Ų | 85 | 101 Ų | 101 | 45% | 0.445 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -57.6 | -43.5 | 174.1 | -70.4 | 174.9 | 0 | 0 | 0 | 112 | E122 N123 H129 Y130 | E122-L126 WeakPolarHBondContact O-CG 2.99Å; E122-L126 PolarHBondContact O-N 2.82Å; N123-L126 PolarHBondContact O-N 3.42Å; L126-H129 PolarHBondContact O-N 2.95Å; L126-Y130 HydrophobicContact CD2-CD2 4.38Å; L126-Y130 HydrophobicContact CD2-CE2 4.09Å; L126-Y130 WeakPolarHBondContact O-CD2 3.17Å; L126-Y130 PolarHBondContact O-N 3.48Å |
| 127 | M | 97.3 | Very high | 97.2 | Very high | 121 Ų | 121 | 98.8 Ų | 98.8 | 60% | 0.596 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.3 | -40.2 | 177.4 | -169.8 | -173.1 | -49.6 | 0 | 0 | 112.1 | N123 L124 E125 H129 G131 | N123-M127 WeakPolarHBondContact O-CB 3.09Å; N123-M127 PolarHBondContact O-N 3.45Å; L124-M127 HydrophobicContact CD2-CE 4.3Å; L124-M127 PolarHBondContact O-N 3.44Å; E125-M127 VanDerWaalsContact C-N 3.3Å; E125-M127 PolarHBondContact O-N 2.89Å; M127-H129 VanDerWaalsContact C-N 3.3Å; M127-H129 PolarHBondContact O-N 3.38Å; M127-G131 WeakPolarHBondContact O-CA 3.47Å; M127-G131 PolarHBondContact O-N 2.95Å |
| 128 | A | 96.9 | Very high | 97.5 | Very high | 78 Ų | 78 | 99.7 Ų | 99.7 | 65% | 0.645 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.7 | -37.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L124 E125 | L124-A128 VanDerWaalsContact O-CB 3.32Å; L124-A128 WeakPolarHBondContact O-CB 3.01Å; L124-A128 PolarHBondContact O-N 2.96Å; E125-A128 PolarHBondContact O-N 3.4Å |
| 129 | H | 96.7 | Very high | 97.6 | Very high | 136 Ų | 136 | 100.3 Ų | 100.3 | 63% | 0.63 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -73.2 | -45.7 | 178.7 | -73.7 | -59.2 | 0 | 0 | 0 | 113.5 | E125 L126 M127 | E125-H129 PolarHBondContact O-CD2 3.39Å; E125-H129 PolarHBondContact O-N 2.96Å; L126-H129 PolarHBondContact O-N 2.95Å; M127-H129 VanDerWaalsContact C-N 3.3Å; M127-H129 PolarHBondContact O-N 3.38Å |
| 130 | Y | 97.6 | Very high | 97.6 | Very high | 157 Ų | 157 | 102.4 Ų | 102.4 | 62% | 0.616 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -112.7 | -20.6 | -168.4 | -59.5 | -71.4 | 0 | 0 | 0 | 114.6 | L126 T132 N133 A134 | L126-Y130 HydrophobicContact CD2-CD2 4.38Å; L126-Y130 HydrophobicContact CD2-CE2 4.09Å; L126-Y130 WeakPolarHBondContact O-CD2 3.17Å; L126-Y130 PolarHBondContact O-N 3.48Å; Y130-T132 PolarHBondContact O-N 2.93Å; Y130-N133 PolarHBondContact O-N 2.99Å; Y130-A134 WeakPolarHBondContact O-CB 3.46Å; Y130-A134 PolarHBondContact O-N 3.38Å |
| 131 | G | 97.3 | Very high | 97.7 | Very high | 26 Ų | 26 | 99.7 Ų | 99.7 | 27% | 0.268 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58.4 | -44.6 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | M127 N133 A134 W135 | M127-G131 WeakPolarHBondContact O-CA 3.47Å; M127-G131 PolarHBondContact O-N 2.95Å; G131-N133 PolarHBondContact O-N 2.84Å; G131-A134 PolarHBondContact O-N 3.38Å; G131-W135 VanDerWaalsContact O-CB 3.29Å; G131-W135 WeakPolarHBondContact O-CB 3.23Å; G131-W135 PolarHBondContact O-N 2.91Å |
| 132 | T | 97.2 | Very high | 97.8 | Very high | 91 Ų | 91 | 98.7 Ų | 98.7 | 56% | 0.558 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.1 | -42.8 | 179.7 | -55.8 | 0 | 0 | 0 | 0 | 112.3 | Y130 K136 | Y130-T132 PolarHBondContact O-N 2.93Å; T132-K136 WeakPolarHBondContact O-CG 3.37Å; T132-K136 PolarHBondContact O-N 2.87Å; T132-K136 VanDerWaalsContact O-N 3.14Å |
| 133 | N | 97.1 | Very high | 97.8 | Very high | 101 Ų | 101 | 95.9 Ų | 95.9 | 54% | 0.54 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -74.1 | -40.4 | -179.3 | -71.1 | -26 | 0 | 0 | 0 | 111.6 | Y130 G131 W135 K136 V137 | Y130-N133 PolarHBondContact O-N 2.99Å; G131-N133 PolarHBondContact O-N 2.84Å; N133-W135 VanDerWaalsContact C-N 3.3Å; N133-W135 PolarHBondContact O-N 3.19Å; N133-K136 PolarHBondContact O-N 2.92Å; N133-V137 PolarHBondContact O-N 3.45Å |
| 134 | A | 97.8 | Very high | 97.8 | Very high | 62 Ų | 62 | 97.9 Ų | 97.9 | 51% | 0.512 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.6 | -41.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y130 G131 V137 Y138 | Y130-A134 WeakPolarHBondContact O-CB 3.46Å; Y130-A134 PolarHBondContact O-N 3.38Å; G131-A134 PolarHBondContact O-N 3.38Å; A134-V137 PolarHBondContact O-N 2.94Å; A134-Y138 WeakPolarHBondContact O-CB 3.42Å; A134-Y138 PolarHBondContact O-N 3.44Å |
| 135 | W | 97.9 | Very high | 97.9 | Very high | 154 Ų | 154 | 99.8 Ų | 99.8 | 58% | 0.583 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66.9 | -36.9 | 179.2 | -161.9 | -112.1 | 0 | 0 | 0 | 113 | G131 N133 Y138 N139 | G131-W135 VanDerWaalsContact O-CB 3.29Å; G131-W135 WeakPolarHBondContact O-CB 3.23Å; G131-W135 PolarHBondContact O-N 2.91Å; N133-W135 VanDerWaalsContact C-N 3.3Å; N133-W135 PolarHBondContact O-N 3.19Å; W135-Y138 HydrophobicContact CD2-CD1 4.38Å; W135-Y138 HydrophobicContact CE3-CD1 4.06Å; W135-Y138 HydrophobicContact CH2-CD1 4Å; W135-Y138 AromaticContact CH2-CE1 3.93Å; W135-Y138 HydrophobicContact CH2-CE1 3.93Å; W135-Y138 HydrophobicContact CZ2-CD1 4.32Å; W135-Y138 HydrophobicContact CZ2-CE1 4.38Å; W135-Y138 AromaticContact CZ3-CD1 3.87Å; W135-Y138 HydrophobicContact CZ3-CD1 3.87Å; W135-Y138 HydrophobicContact CZ3-CE1 4.13Å; W135-Y138 HydrophobicContact CZ3-CG 4.47Å; W135-Y138 PolarHBondContact O-N 3.4Å; W135-N139 VanDerWaalsContact CD1-ND2 3.3Å; W135-N139 PolarHBondContact NE1-ND2 3.36Å; W135-N139 WeakPolarHBondContact O-CB 3.5Å; W135-N139 PolarHBondContact O-N 3.43Å; W135-N139 PolarHBondContact O-ND2 3.5Å |
| 136 | K | 98 | Very high | 97.9 | Very high | 119 Ų | 119 | 98.5 Ų | 98.5 | 52% | 0.517 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.7 | -49.7 | 173.4 | -74 | 172.4 | -178.9 | 177.6 | 0 | 111.5 | T132 N133 Y138 N139 D140 | T132-K136 WeakPolarHBondContact O-CG 3.37Å; T132-K136 PolarHBondContact O-N 2.87Å; T132-K136 VanDerWaalsContact O-N 3.14Å; N133-K136 PolarHBondContact O-N 2.92Å; K136-Y138 VanDerWaalsContact C-N 3.3Å; K136-Y138 PolarHBondContact O-N 3.03Å; K136-N139 WeakPolarHBondContact O-CB 3.5Å; K136-N139 PolarHBondContact O-N 3.06Å; K136-N139 VanDerWaalsContact O-N 3.11Å; K136-D140 PolarHBondContact O-N 3.46Å |
| 137 | V | 98.3 | Very high | 97.9 | Very high | 85 Ų | 85 | 98.8 Ų | 98.8 | 52% | 0.515 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.4 | -40.8 | 177.6 | 174.4 | 0 | 0 | 0 | 0 | 111.3 | N133 A134 N139 D140 N141 | N133-V137 PolarHBondContact O-N 3.45Å; A134-V137 PolarHBondContact O-N 2.94Å; V137-N139 VanDerWaalsContact C-N 3.34Å; V137-N139 PolarHBondContact O-N 3.03Å; V137-D140 PolarHBondContact O-N 3.21Å; V137-N141 PolarHBondContact O-N 3.27Å; V137-N141 PolarHBondContact O-ND2 2.87Å |
| 138 | Y | 98.3 | Very high | 98 | Very high | 119 Ų | 119 | 97.5 Ų | 97.5 | 47% | 0.467 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.5 | -44.4 | 174.2 | 176.1 | -98.8 | 0 | 0 | 0 | 112.1 | A134 W135 K136 D140 N141 L142 | A134-Y138 WeakPolarHBondContact O-CB 3.42Å; A134-Y138 PolarHBondContact O-N 3.44Å; W135-Y138 HydrophobicContact CD2-CD1 4.38Å; W135-Y138 HydrophobicContact CE3-CD1 4.06Å; W135-Y138 HydrophobicContact CH2-CD1 4Å; W135-Y138 AromaticContact CH2-CE1 3.93Å; W135-Y138 HydrophobicContact CH2-CE1 3.93Å; W135-Y138 HydrophobicContact CZ2-CD1 4.32Å; W135-Y138 HydrophobicContact CZ2-CE1 4.38Å; W135-Y138 AromaticContact CZ3-CD1 3.87Å; W135-Y138 HydrophobicContact CZ3-CD1 3.87Å; W135-Y138 HydrophobicContact CZ3-CE1 4.13Å; W135-Y138 HydrophobicContact CZ3-CG 4.47Å; W135-Y138 PolarHBondContact O-N 3.4Å; K136-Y138 VanDerWaalsContact C-N 3.3Å; K136-Y138 PolarHBondContact O-N 3.03Å; Y138-D140 PolarHBondContact O-N 3.27Å; Y138-N141 PolarHBondContact O-N 2.94Å; Y138-L142 PolarHBondContact O-N 3.28Å |
| 139 | N | 98.3 | Very high | 98.1 | Very high | 66 Ų | 66 | 96.8 Ų | 96.8 | 35% | 0.353 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.7 | -38.9 | 177.2 | -69.3 | -27.8 | 0 | 0 | 0 | 112.3 | W135 K136 V137 N141 L142 A143 | W135-N139 VanDerWaalsContact CD1-ND2 3.3Å; W135-N139 PolarHBondContact NE1-ND2 3.36Å; W135-N139 WeakPolarHBondContact O-CB 3.5Å; W135-N139 PolarHBondContact O-N 3.43Å; W135-N139 PolarHBondContact O-ND2 3.5Å; K136-N139 WeakPolarHBondContact O-CB 3.5Å; K136-N139 PolarHBondContact O-N 3.06Å; K136-N139 VanDerWaalsContact O-N 3.11Å; V137-N139 VanDerWaalsContact C-N 3.34Å; V137-N139 PolarHBondContact O-N 3.03Å; N139-N141 VanDerWaalsContact C-N 3.35Å; N139-L142 PolarHBondContact O-N 3.32Å; N139-A143 WeakPolarHBondContact O-CB 3.27Å; N139-A143 PolarHBondContact O-N 2.91Å |
| 140 | D | 98.4 | Very high | 98.2 | Very high | 111 Ų | 111 | 95.8 Ų | 95.8 | 59% | 0.594 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.7 | -43.4 | 175.9 | -66.4 | -23.8 | 0 | 0 | 0 | 111 | K136 V137 Y138 L142 A143 F144 | K136-D140 PolarHBondContact O-N 3.46Å; V137-D140 PolarHBondContact O-N 3.21Å; Y138-D140 PolarHBondContact O-N 3.27Å; D140-L142 VanDerWaalsContact C-N 3.35Å; D140-L142 PolarHBondContact O-N 3.09Å; D140-A143 PolarHBondContact O-N 3.42Å; D140-F144 WeakPolarHBondContact O-CB 3.3Å; D140-F144 PolarHBondContact O-N 2.97Å |
| 141 | N | 98.4 | Very high | 98.2 | Very high | 91 Ų | 91 | 93.8 Ų | 93.8 | 49% | 0.487 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.6 | -43.2 | 174.2 | -72.3 | -30 | 0 | 0 | 0 | 111.7 | V137 Y138 N139 F144 M145 | V137-N141 PolarHBondContact O-N 3.27Å; V137-N141 PolarHBondContact O-ND2 2.87Å; Y138-N141 PolarHBondContact O-N 2.94Å; N139-N141 VanDerWaalsContact C-N 3.35Å; N141-F144 PolarHBondContact O-N 3.28Å; N141-M145 WeakPolarHBondContact O-CG 3.32Å; N141-M145 PolarHBondContact O-N 3.45Å |
| 142 | L | 98.5 | Very high | 98.3 | Very high | 74 Ų | 74 | 97 Ų | 97 | 39% | 0.387 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.9 | -43.1 | 178.2 | -174.1 | 64.3 | 0 | 0 | 0 | 111.4 | Y138 N139 D140 F144 M145 I146 | Y138-L142 PolarHBondContact O-N 3.28Å; N139-L142 PolarHBondContact O-N 3.32Å; D140-L142 VanDerWaalsContact C-N 3.35Å; D140-L142 PolarHBondContact O-N 3.09Å; L142-F144 VanDerWaalsContact C-N 3.34Å; L142-F144 PolarHBondContact O-N 3.04Å; L142-M145 PolarHBondContact O-N 2.73Å; L142-I146 HydrophobicContact CG-CD1 4.22Å; L142-I146 VanDerWaalsContact O-CG1 3.31Å; L142-I146 WeakPolarHBondContact O-CG1 3.3Å; L142-I146 PolarHBondContact O-N 3.43Å |
| 143 | A | 98.5 | Very high | 98.3 | Very high | 57 Ų | 57 | 96.6 Ų | 96.6 | 47% | 0.471 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.9 | -43.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | N139 D140 I146 E147 | N139-A143 WeakPolarHBondContact O-CB 3.27Å; N139-A143 PolarHBondContact O-N 2.91Å; D140-A143 PolarHBondContact O-N 3.42Å; A143-I146 PolarHBondContact O-N 3.42Å; A143-E147 PolarHBondContact O-N 3.35Å |
| 144 | F | 98.5 | Very high | 98.4 | Very high | 128 Ų | 128 | 97.1 Ų | 97.1 | 56% | 0.561 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61.5 | -44.1 | 175.2 | 177.4 | -101.5 | 0 | 0 | 0 | 112.5 | D140 N141 L142 I146 E147 L148 | D140-F144 WeakPolarHBondContact O-CB 3.3Å; D140-F144 PolarHBondContact O-N 2.97Å; N141-F144 PolarHBondContact O-N 3.28Å; L142-F144 VanDerWaalsContact C-N 3.34Å; L142-F144 PolarHBondContact O-N 3.04Å; F144-I146 VanDerWaalsContact C-N 3.32Å; F144-I146 PolarHBondContact O-N 2.99Å; F144-E147 PolarHBondContact O-N 2.93Å; F144-L148 PolarHBondContact O-N 3.13Å |
| 145 | M | 98.6 | Very high | 98.5 | Very high | 124 Ų | 124 | 99.3 Ų | 99.3 | 61% | 0.611 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.7 | -40.7 | 176.6 | -71.7 | 177.4 | 69.6 | 0 | 0 | 112.1 | N141 L142 L148 A149 | N141-M145 WeakPolarHBondContact O-CG 3.32Å; N141-M145 PolarHBondContact O-N 3.45Å; L142-M145 PolarHBondContact O-N 2.73Å; M145-L148 PolarHBondContact O-N 2.79Å; M145-A149 WeakPolarHBondContact O-CB 3.34Å; M145-A149 PolarHBondContact O-N 3.41Å |
| 146 | I | 98.6 | Very high | 98.5 | Very high | 84 Ų | 84 | 94.7 Ų | 94.7 | 43% | 0.431 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.3 | -46.8 | 175.5 | -70.3 | 166.5 | 0 | 0 | 0 | 110.4 | L142 A143 F144 L148 A149 Q150 | L142-I146 HydrophobicContact CG-CD1 4.22Å; L142-I146 VanDerWaalsContact O-CG1 3.31Å; L142-I146 WeakPolarHBondContact O-CG1 3.3Å; L142-I146 PolarHBondContact O-N 3.43Å; A143-I146 PolarHBondContact O-N 3.42Å; F144-I146 VanDerWaalsContact C-N 3.32Å; F144-I146 PolarHBondContact O-N 2.99Å; I146-L148 VanDerWaalsContact C-N 3.32Å; I146-L148 PolarHBondContact O-N 3.34Å; I146-A149 PolarHBondContact O-N 2.93Å; I146-Q150 HydrophobicContact CG2-CG 4.31Å; I146-Q150 WeakPolarHBondContact O-CB 3.42Å; I146-Q150 VanDerWaalsContact O-CG 3.29Å; I146-Q150 WeakPolarHBondContact O-CG 3.42Å; I146-Q150 PolarHBondContact O-N 3.27Å |
| 147 | E | 98.6 | Very high | 98.5 | Very high | 90 Ų | 90 | 94.9 Ų | 94.9 | 42% | 0.421 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.2 | -43.1 | 179 | -169.5 | -172 | 161.4 | 0 | 0 | 111.5 | A143 F144 Q150 K151 | A143-E147 PolarHBondContact O-N 3.35Å; F144-E147 PolarHBondContact O-N 2.93Å; E147-Q150 PolarHBondContact O-N 2.99Å; E147-K151 HydrophobicContact CG-CD 4.46Å; E147-K151 WeakPolarHBondContact O-CG 3.47Å; E147-K151 PolarHBondContact O-N 3.03Å; E147-K151 WeakPolarHBondContact OE1-CE 3.35Å; E147-K151 IonicContact OE1-NZ 3.72Å; E147-K151 PolarHBondContact OE1-NZ 3.47Å |
| 148 | L | 98.5 | Very high | 98.5 | Very high | 94 Ų | 94 | 97.1 Ų | 97.1 | 49% | 0.492 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.9 | -47.7 | 177.3 | -174.9 | 65.8 | 0 | 0 | 0 | 111.7 | F144 M145 I146 Q150 K151 E152 | F144-L148 PolarHBondContact O-N 3.13Å; M145-L148 PolarHBondContact O-N 2.79Å; I146-L148 VanDerWaalsContact C-N 3.32Å; I146-L148 PolarHBondContact O-N 3.34Å; L148-Q150 VanDerWaalsContact C-N 3.33Å; L148-Q150 PolarHBondContact O-N 3.44Å; L148-K151 PolarHBondContact O-N 2.82Å; L148-E152 PolarHBondContact O-N 3.46Å; L148-E152 VanDerWaalsContact O-N 3.09Å |
| 149 | A | 98.6 | Very high | 98.5 | Very high | 64 Ų | 64 | 96.4 Ų | 96.4 | 53% | 0.529 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.5 | -39.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | M145 I146 E152 L153 | M145-A149 WeakPolarHBondContact O-CB 3.34Å; M145-A149 PolarHBondContact O-N 3.41Å; I146-A149 PolarHBondContact O-N 2.93Å; A149-E152 PolarHBondContact O-N 3.38Å; A149-L153 WeakPolarHBondContact O-CB 3.3Å; A149-L153 PolarHBondContact O-N 3.36Å |
| 150 | Q | 98.6 | Very high | 98.5 | Very high | 114 Ų | 114 | 97.8 Ų | 97.8 | 53% | 0.533 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.8 | -41.2 | 175.7 | -74.5 | 177.6 | -6.9 | 0 | 0 | 112 | I146 E147 L148 L153 Q154 | I146-Q150 HydrophobicContact CG2-CG 4.31Å; I146-Q150 WeakPolarHBondContact O-CB 3.42Å; I146-Q150 VanDerWaalsContact O-CG 3.29Å; I146-Q150 WeakPolarHBondContact O-CG 3.42Å; I146-Q150 PolarHBondContact O-N 3.27Å; E147-Q150 PolarHBondContact O-N 2.99Å; L148-Q150 VanDerWaalsContact C-N 3.33Å; L148-Q150 PolarHBondContact O-N 3.44Å; Q150-L153 PolarHBondContact O-N 2.92Å; Q150-Q154 WeakPolarHBondContact O-CG 3.5Å; Q150-Q154 PolarHBondContact O-N 2.98Å |
| 151 | K | 98.6 | Very high | 98.5 | Very high | 116 Ų | 116 | 98.7 Ų | 98.7 | 50% | 0.504 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.7 | -46.5 | 175.9 | -77.5 | 173.6 | -177.6 | 167.5 | 0 | 111.9 | E147 L148 L153 Q154 K155 | E147-K151 HydrophobicContact CG-CD 4.46Å; E147-K151 WeakPolarHBondContact O-CG 3.47Å; E147-K151 PolarHBondContact O-N 3.03Å; E147-K151 WeakPolarHBondContact OE1-CE 3.35Å; E147-K151 IonicContact OE1-NZ 3.72Å; E147-K151 PolarHBondContact OE1-NZ 3.47Å; L148-K151 PolarHBondContact O-N 2.82Å; K151-L153 PolarHBondContact O-N 3.42Å; K151-Q154 PolarHBondContact O-N 3.4Å; K151-K155 WeakPolarHBondContact O-CB 3.19Å; K151-K155 PolarHBondContact O-N 2.92Å |
| 152 | E | 98.6 | Very high | 98.5 | Very high | 92 Ų | 92 | 98 Ų | 98 | 43% | 0.43 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.8 | -40.8 | 176.6 | -73.1 | -58.1 | 133.4 | 0 | 0 | 111.7 | L148 A149 Q154 K155 C156 | L148-E152 PolarHBondContact O-N 3.46Å; L148-E152 VanDerWaalsContact O-N 3.09Å; A149-E152 PolarHBondContact O-N 3.38Å; E152-Q154 VanDerWaalsContact C-N 3.34Å; E152-Q154 PolarHBondContact O-N 3.48Å; E152-K155 WeakPolarHBondContact O-CB 3.38Å; E152-K155 PolarHBondContact O-N 2.84Å; E152-K155 IonicContact OE1-NZ 2.79Å; E152-K155 IonicContact OE2-NZ 2.73Å; E152-C156 PolarHBondContact O-N 3.24Å; E152-C156 PolarHBondContact O-SG 3.3Å; E152-C156 VanDerWaalsContact O-SG 3.41Å |
| 153 | L | 98.6 | Very high | 98.5 | Very high | 84 Ų | 84 | 99.2 Ų | 99.2 | 44% | 0.44 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59 | -44.5 | 174.3 | 178.9 | 63.4 | 0 | 0 | 0 | 112.1 | A149 Q150 K151 K155 C156 R157 | A149-L153 WeakPolarHBondContact O-CB 3.3Å; A149-L153 PolarHBondContact O-N 3.36Å; Q150-L153 PolarHBondContact O-N 2.92Å; K151-L153 PolarHBondContact O-N 3.42Å; L153-K155 VanDerWaalsContact C-N 3.35Å; L153-C156 PolarHBondContact O-N 3.5Å; L153-R157 HydrophobicContact CD1-CG 4.45Å; L153-R157 WeakPolarHBondContact O-CB 3.43Å; L153-R157 VanDerWaalsContact O-CG 3.32Å; L153-R157 WeakPolarHBondContact O-CG 3.25Å; L153-R157 PolarHBondContact O-N 3.32Å |
| 154 | Q | 98.6 | Very high | 98.4 | Very high | 111 Ų | 111 | 99 Ų | 99 | 52% | 0.519 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.1 | -38.7 | 178.4 | -67.6 | -58.4 | -19.6 | 0 | 0 | 112 | Q150 K151 E152 R157 K158 | Q150-Q154 WeakPolarHBondContact O-CG 3.5Å; Q150-Q154 PolarHBondContact O-N 2.98Å; K151-Q154 PolarHBondContact O-N 3.4Å; E152-Q154 VanDerWaalsContact C-N 3.34Å; E152-Q154 PolarHBondContact O-N 3.48Å; Q154-R157 PolarHBondContact O-N 2.91Å; Q154-K158 WeakPolarHBondContact O-CB 3.29Å; Q154-K158 PolarHBondContact O-N 2.97Å |
| 155 | K | 98.6 | Very high | 98.4 | Very high | 109 Ų | 109 | 100.8 Ų | 100.8 | 47% | 0.474 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.9 | -48.3 | 174.2 | -177.9 | -175.4 | 173.9 | -168.7 | 0 | 111.5 | K151 E152 L153 R157 K158 Q159 | K151-K155 WeakPolarHBondContact O-CB 3.19Å; K151-K155 PolarHBondContact O-N 2.92Å; E152-K155 WeakPolarHBondContact O-CB 3.38Å; E152-K155 PolarHBondContact O-N 2.84Å; E152-K155 IonicContact OE1-NZ 2.79Å; E152-K155 IonicContact OE2-NZ 2.73Å; L153-K155 VanDerWaalsContact C-N 3.35Å; K155-R157 PolarHBondContact O-N 3.48Å; K155-K158 PolarHBondContact O-N 3.14Å; K155-Q159 WeakPolarHBondContact O-CG 3.43Å; K155-Q159 PolarHBondContact O-N 3.24Å |
| 156 | C | 98.5 | Very high | 98.3 | Very high | 56 Ų | 56 | 99.8 Ų | 99.8 | 38% | 0.378 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.7 | -43.1 | 176 | -69.1 | 0 | 0 | 0 | 0 | 111.9 | E152 L153 K158 Q159 I160 | E152-C156 PolarHBondContact O-N 3.24Å; E152-C156 PolarHBondContact O-SG 3.3Å; E152-C156 VanDerWaalsContact O-SG 3.41Å; L153-C156 PolarHBondContact O-N 3.5Å; C156-K158 VanDerWaalsContact C-N 3.34Å; C156-K158 PolarHBondContact O-N 3.24Å; C156-Q159 PolarHBondContact O-N 3.44Å; C156-I160 VanDerWaalsContact O-CG1 3.28Å; C156-I160 WeakPolarHBondContact O-CG1 3.21Å; C156-I160 PolarHBondContact O-N 3.37Å |
| 157 | R | 98.6 | Very high | 98.2 | Very high | 124 Ų | 124 | 102 Ų | 102 | 47% | 0.468 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59.8 | -44 | 176.2 | -78 | 176.2 | 173.8 | 175.7 | -2 | 112.1 | L153 Q154 K155 I160 Q161 | L153-R157 HydrophobicContact CD1-CG 4.45Å; L153-R157 WeakPolarHBondContact O-CB 3.43Å; L153-R157 VanDerWaalsContact O-CG 3.32Å; L153-R157 WeakPolarHBondContact O-CG 3.25Å; L153-R157 PolarHBondContact O-N 3.32Å; Q154-R157 PolarHBondContact O-N 2.91Å; K155-R157 PolarHBondContact O-N 3.48Å; R157-I160 PolarHBondContact O-N 3.36Å; R157-Q161 WeakPolarHBondContact O-CB 3.45Å; R157-Q161 VanDerWaalsContact O-CG 3.32Å; R157-Q161 WeakPolarHBondContact O-CG 3.34Å; R157-Q161 PolarHBondContact O-N 3.47Å |
| 158 | K | 98.6 | Very high | 98 | Very high | 131 Ų | 131 | 102.4 Ų | 102.4 | 57% | 0.57 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -61 | -47.4 | 175.9 | -176.2 | 177.9 | 177 | -178.9 | 0 | 111.2 | Q154 K155 C156 I160 Q161 D162 | Q154-K158 WeakPolarHBondContact O-CB 3.29Å; Q154-K158 PolarHBondContact O-N 2.97Å; K155-K158 PolarHBondContact O-N 3.14Å; C156-K158 VanDerWaalsContact C-N 3.34Å; C156-K158 PolarHBondContact O-N 3.24Å; K158-I160 VanDerWaalsContact C-N 3.33Å; K158-I160 PolarHBondContact O-N 2.9Å; K158-Q161 PolarHBondContact O-N 3.31Å; K158-Q161 VanDerWaalsContact O-N 3.13Å; K158-D162 WeakPolarHBondContact O-CB 3.35Å; K158-D162 VanDerWaalsContact O-CG 3.25Å; K158-D162 PolarHBondContact O-N 3.02Å |
| 159 | Q | 98.5 | Very high | 98 | Very high | 104 Ų | 104 | 101 Ų | 101 | 49% | 0.486 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -58.7 | -43.1 | 177.2 | -71.3 | 173.3 | -26 | 0 | 0 | 112.4 | K155 C156 D162 L163 | K155-Q159 WeakPolarHBondContact O-CG 3.43Å; K155-Q159 PolarHBondContact O-N 3.24Å; C156-Q159 PolarHBondContact O-N 3.44Å; Q159-D162 PolarHBondContact O-N 3.09Å; Q159-L163 WeakPolarHBondContact O-CB 3.28Å; Q159-L163 WeakPolarHBondContact O-CG 3.23Å; Q159-L163 PolarHBondContact O-N 3.26Å |
| 160 | I | 98.4 | Very high | 97.8 | Very high | 96 Ų | 96 | 103.5 Ų | 103.5 | 49% | 0.492 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.5 | -43.7 | 175.8 | -68.5 | 164.9 | 0 | 0 | 0 | 110.7 | C156 R157 K158 N164 | C156-I160 VanDerWaalsContact O-CG1 3.28Å; C156-I160 WeakPolarHBondContact O-CG1 3.21Å; C156-I160 PolarHBondContact O-N 3.37Å; R157-I160 PolarHBondContact O-N 3.36Å; K158-I160 VanDerWaalsContact C-N 3.33Å; K158-I160 PolarHBondContact O-N 2.9Å; I160-N164 WeakPolarHBondContact O-CB 3.37Å; I160-N164 VanDerWaalsContact O-CG 3.3Å; I160-N164 PolarHBondContact O-N 2.95Å; I160-N164 PolarHBondContact O-ND2 2.69Å |
| 161 | Q | 98.3 | Very high | 97.6 | Very high | 129 Ų | 129 | 99 Ų | 99 | 60% | 0.603 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -64.9 | -45.3 | 178.4 | -75.1 | 176.8 | -2 | 0 | 0 | 112.1 | R157 K158 L163 N164 W165 | R157-Q161 WeakPolarHBondContact O-CB 3.45Å; R157-Q161 VanDerWaalsContact O-CG 3.32Å; R157-Q161 WeakPolarHBondContact O-CG 3.34Å; R157-Q161 PolarHBondContact O-N 3.47Å; K158-Q161 PolarHBondContact O-N 3.31Å; K158-Q161 VanDerWaalsContact O-N 3.13Å; Q161-L163 PolarHBondContact O-N 3.28Å; Q161-N164 PolarHBondContact O-N 2.93Å; Q161-W165 WeakPolarHBondContact O-CB 3.43Å; Q161-W165 PolarHBondContact O-N 2.95Å |
| 162 | D | 98.3 | Very high | 97.4 | Very high | 77 Ų | 77 | 96.9 Ų | 96.9 | 41% | 0.412 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -60.7 | -45.1 | 178.7 | -67.9 | -18.7 | 0 | 0 | 0 | 110.7 | K158 Q159 W165 Q166 | K158-D162 WeakPolarHBondContact O-CB 3.35Å; K158-D162 VanDerWaalsContact O-CG 3.25Å; K158-D162 PolarHBondContact O-N 3.02Å; Q159-D162 PolarHBondContact O-N 3.09Å; D162-W165 PolarHBondContact O-N 2.65Å; D162-Q166 WeakPolarHBondContact O-CG 3.38Å; D162-Q166 PolarHBondContact O-N 3.18Å |
| 163 | L | 97.9 | Very high | 97.2 | Very high | 100 Ų | 100 | 95.6 Ų | 95.6 | 52% | 0.524 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62.8 | -45.2 | 175.3 | -76.5 | 170.7 | 0 | 0 | 0 | 112.5 | Q159 Q161 W165 Q166 R167 | Q159-L163 WeakPolarHBondContact O-CB 3.28Å; Q159-L163 WeakPolarHBondContact O-CG 3.23Å; Q159-L163 PolarHBondContact O-N 3.26Å; Q161-L163 PolarHBondContact O-N 3.28Å; L163-W165 VanDerWaalsContact C-N 3.3Å; L163-W165 PolarHBondContact O-N 3.4Å; L163-Q166 PolarHBondContact O-N 3.06Å; L163-R167 WeakPolarHBondContact O-CB 3.17Å; L163-R167 PolarHBondContact O-N 2.98Å |
| 164 | N | 97 | Very high | 97 | Very high | 52 Ų | 52 | 93.1 Ų | 93.1 | 28% | 0.278 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -65.6 | -35.5 | 177.9 | -78.9 | -22.6 | 0 | 0 | 0 | 111.8 | I160 Q161 K168 | I160-N164 WeakPolarHBondContact O-CB 3.37Å; I160-N164 VanDerWaalsContact O-CG 3.3Å; I160-N164 PolarHBondContact O-N 2.95Å; I160-N164 PolarHBondContact O-ND2 2.69Å; Q161-N164 PolarHBondContact O-N 2.93Å; N164-K168 VanDerWaalsContact O-CB 3.28Å; N164-K168 WeakPolarHBondContact O-CB 3.34Å; N164-K168 PolarHBondContact O-N 3.43Å |
| 165 | W | 97.9 | Very high | 96.7 | Very high | 165 Ų | 165 | 87.9 Ų | 87.9 | 63% | 0.625 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -65.8 | -46.9 | 175.8 | -179.1 | 77.2 | 0 | 0 | 0 | 111.5 | Q161 D162 L163 K168 N169 | Q161-W165 WeakPolarHBondContact O-CB 3.43Å; Q161-W165 PolarHBondContact O-N 2.95Å; D162-W165 PolarHBondContact O-N 2.65Å; L163-W165 VanDerWaalsContact C-N 3.3Å; L163-W165 PolarHBondContact O-N 3.4Å; W165-K168 PolarHBondContact O-N 3.29Å; W165-N169 WeakPolarHBondContact CH2-ND2 3.49Å; W165-N169 WeakPolarHBondContact CZ2-ND2 3.32Å; W165-N169 PolarHBondContact O-N 3.48Å |
| 166 | Q | 97.2 | Very high | 96.6 | Very high | 104 Ų | 104 | 85.3 Ų | 85.3 | 49% | 0.486 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -57.3 | -52.4 | 173.3 | -72.6 | 174.8 | -7.4 | 0 | 0 | 111 | D162 L163 K168 N169 D170 | D162-Q166 WeakPolarHBondContact O-CG 3.38Å; D162-Q166 PolarHBondContact O-N 3.18Å; L163-Q166 PolarHBondContact O-N 3.06Å; Q166-K168 VanDerWaalsContact C-N 3.3Å; Q166-K168 PolarHBondContact O-N 2.95Å; Q166-N169 PolarHBondContact O-N 3.33Å; Q166-N169 VanDerWaalsContact O-N 3.09Å; Q166-D170 PolarHBondContact O-N 2.96Å |
| 167 | R | 95.4 | Very high | 96.4 | Very high | 131 Ų | 131 | 87.3 Ų | 87.3 | 49% | 0.494 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -55.9 | -43.7 | 178 | -173.8 | -177.7 | -65.1 | 157 | -1.6 | 112 | Y18 L163 D170 Q171 | Y18-R167 HydrophobicContact CD2-CG 4.29Å; Y18-R167 HydrophobicContact CE2-CB 4.35Å; Y18-R167 HydrophobicContact CE2-CG 4.17Å; L163-R167 WeakPolarHBondContact O-CB 3.17Å; L163-R167 PolarHBondContact O-N 2.98Å; R167-D170 PolarHBondContact O-N 3.31Å; R167-Q171 HydrophobicContact CG-CG 4.28Å; R167-Q171 VanDerWaalsContact CG-NE2 3.35Å; R167-Q171 WeakPolarHBondContact O-CB 3.43Å; R167-Q171 WeakPolarHBondContact O-CG 3.32Å; R167-Q171 PolarHBondContact O-N 3.44Å |
| 168 | K | 95.6 | Very high | 96.3 | Very high | 97 Ų | 97 | 85.7 Ų | 85.7 | 42% | 0.422 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -61.7 | -44.7 | 177.9 | -178.3 | 177.7 | 179.7 | -179.7 | 0 | 111.5 | Y18 N164 W165 Q166 L172 | Y18-K168 HydrophobicContact CD1-CB 4.23Å; Y18-K168 HydrophobicContact CD1-CD 4.24Å; Y18-K168 HydrophobicContact CD1-CG 4.05Å; Y18-K168 HydrophobicContact CD2-CB 3.89Å; Y18-K168 HydrophobicContact CD2-CG 4.41Å; Y18-K168 HydrophobicContact CE1-CB 4.43Å; Y18-K168 HydrophobicContact CE1-CD 4.49Å; Y18-K168 HydrophobicContact CE2-CB 4.09Å; Y18-K168 HydrophobicContact CG-CB 3.97Å; Y18-K168 HydrophobicContact CG-CG 3.98Å; N164-K168 VanDerWaalsContact O-CB 3.28Å; N164-K168 WeakPolarHBondContact O-CB 3.34Å; N164-K168 PolarHBondContact O-N 3.43Å; W165-K168 PolarHBondContact O-N 3.29Å; Q166-K168 VanDerWaalsContact C-N 3.3Å; Q166-K168 PolarHBondContact O-N 2.95Å; K168-L172 HydrophobicContact CG-CD1 3.87Å; K168-L172 HydrophobicContact CG-CG 4.3Å; K168-L172 WeakPolarHBondContact O-CB 3.48Å; K168-L172 VanDerWaalsContact O-CG 3.23Å; K168-L172 WeakPolarHBondContact O-CG 3.32Å; K168-L172 PolarHBondContact O-N 3.01Å |
| 169 | N | 96.8 | Very high | 96.1 | Very high | 64 Ų | 64 | 87 Ų | 87 | 34% | 0.342 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -62.8 | -46.9 | 179.1 | -69.8 | -17.6 | 0 | 0 | 0 | 111.4 | W165 Q166 Q171 L172 A173 | W165-N169 WeakPolarHBondContact CH2-ND2 3.49Å; W165-N169 WeakPolarHBondContact CZ2-ND2 3.32Å; W165-N169 PolarHBondContact O-N 3.48Å; Q166-N169 PolarHBondContact O-N 3.33Å; Q166-N169 VanDerWaalsContact O-N 3.09Å; N169-Q171 PolarHBondContact O-N 2.63Å; N169-L172 PolarHBondContact O-N 2.97Å; N169-A173 WeakPolarHBondContact O-CB 3.28Å; N169-A173 PolarHBondContact O-N 3.42Å |
| 170 | D | 94.6 | Very high | 96 | Very high | 118 Ų | 118 | 86.5 Ų | 86.5 | 63% | 0.631 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -61.8 | -45.3 | 179.7 | -64.1 | -19.6 | 0 | 0 | 0 | 111.2 | Q166 R167 A173 G174 | Q166-D170 PolarHBondContact O-N 2.96Å; R167-D170 PolarHBondContact O-N 3.31Å; D170-A173 PolarHBondContact O-N 3.27Å; D170-G174 PolarHBondContact O-N 2.97Å |
| 171 | Q | 94.6 | Very high | 96 | Very high | 20 Ų | 20 | 86.3 Ų | 86.3 | 9% | 0.093 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -67.6 | -39.1 | 179.6 | -69.4 | -174.6 | 5.3 | 0 | 0 | 112.7 | L16 R167 N169 G175 | L16-Q171 HydrophobicContact CB-CB 4.39Å; L16-Q171 HydrophobicContact CB-CG 4.4Å; L16-Q171 HydrophobicContact CD2-CB 4.07Å; L16-Q171 HydrophobicContact CD2-CG 3.68Å; R167-Q171 HydrophobicContact CG-CG 4.28Å; R167-Q171 VanDerWaalsContact CG-NE2 3.35Å; R167-Q171 WeakPolarHBondContact O-CB 3.43Å; R167-Q171 WeakPolarHBondContact O-CG 3.32Å; R167-Q171 PolarHBondContact O-N 3.44Å; N169-Q171 PolarHBondContact O-N 2.63Å; Q171-G175 PolarHBondContact O-N 3.41Å |
| 172 | L | 94.8 | Very high | 95.9 | Very high | 71 Ų | 71 | 86.2 Ų | 86.2 | 37% | 0.372 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -68.3 | -37.7 | 176.4 | -71.5 | 177.4 | 0 | 0 | 0 | 111.7 | F19 K168 N169 A176 | F19-L172 HydrophobicContact CD2-CD2 4.34Å; K168-L172 HydrophobicContact CG-CD1 3.87Å; K168-L172 HydrophobicContact CG-CG 4.3Å; K168-L172 WeakPolarHBondContact O-CB 3.48Å; K168-L172 VanDerWaalsContact O-CG 3.23Å; K168-L172 WeakPolarHBondContact O-CG 3.32Å; K168-L172 PolarHBondContact O-N 3.01Å; N169-L172 PolarHBondContact O-N 2.97Å; L172-A176 VanDerWaalsContact O-CB 3.3Å; L172-A176 WeakPolarHBondContact O-CB 3.45Å; L172-A176 PolarHBondContact O-N 3.29Å |
| 173 | A | 95.1 | Very high | 95.9 | Very high | 65 Ų | 65 | 86.2 Ų | 86.2 | 54% | 0.537 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -65.7 | -47.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | N169 D170 A176 K177 | N169-A173 WeakPolarHBondContact O-CB 3.28Å; N169-A173 PolarHBondContact O-N 3.42Å; D170-A173 PolarHBondContact O-N 3.27Å; A173-A176 PolarHBondContact O-N 3.33Å; A173-K177 PolarHBondContact O-N 3.33Å; A173-K177 VanDerWaalsContact O-N 3.14Å |
| 174 | G | 94 | Very high | 95.9 | Very high | 32 Ų | 32 | 85.1 Ų | 85.1 | 33% | 0.33 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -60.7 | -47 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | D170 A176 K177 L178 | D170-G174 PolarHBondContact O-N 2.97Å; G174-A176 PolarHBondContact O-N 3.17Å; G174-K177 WeakPolarHBondContact O-CA 3.32Å; G174-K177 WeakPolarHBondContact O-CB 3.48Å; G174-K177 PolarHBondContact O-N 2.8Å; G174-K177 VanDerWaalsContact O-N 3.08Å; G174-L178 PolarHBondContact O-N 3.36Å |
| 175 | G | 93 | Very high | 96 | Very high | 0 Ų | 0 | 90.5 Ų | 90.5 | 0% | 0 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -63.7 | -37.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | F19 Q171 K177 L178 R179 | F19-G175 VanDerWaalsContact CE2-CA 3.47Å; F19-G175 WeakPolarHBondContact CE2-O 3.46Å; F19-G175 WeakPolarHBondContact CZ-O 3.36Å; Q171-G175 PolarHBondContact O-N 3.41Å; G175-K177 VanDerWaalsContact C-N 3.28Å; G175-K177 PolarHBondContact O-N 2.82Å; G175-L178 PolarHBondContact O-N 3.48Å; G175-R179 PolarHBondContact O-N 3.38Å |
| 176 | A | 94.8 | Very high | 96 | Very high | 56 Ų | 56 | 85.9 Ų | 85.9 | 46% | 0.463 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -60.7 | -40 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L172 A173 G174 R179 E180 | L172-A176 VanDerWaalsContact O-CB 3.3Å; L172-A176 WeakPolarHBondContact O-CB 3.45Å; L172-A176 PolarHBondContact O-N 3.29Å; A173-A176 PolarHBondContact O-N 3.33Å; G174-A176 PolarHBondContact O-N 3.17Å; A176-R179 PolarHBondContact O-N 2.8Å; A176-E180 PolarHBondContact O-N 3.32Å; A176-E180 VanDerWaalsContact O-N 3.09Å |
| 177 | K | 95.8 | Very high | 96 | Very high | 98 Ų | 98 | 84.4 Ų | 84.4 | 43% | 0.426 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -67 | -39.7 | 175.6 | -171.2 | 58.5 | -178.3 | 176.5 | 0 | 112.3 | A173 G174 G175 R179 E180 L181 | A173-K177 PolarHBondContact O-N 3.33Å; A173-K177 VanDerWaalsContact O-N 3.14Å; G174-K177 WeakPolarHBondContact O-CA 3.32Å; G174-K177 WeakPolarHBondContact O-CB 3.48Å; G174-K177 PolarHBondContact O-N 2.8Å; G174-K177 VanDerWaalsContact O-N 3.08Å; G175-K177 VanDerWaalsContact C-N 3.28Å; G175-K177 PolarHBondContact O-N 2.82Å; K177-R179 VanDerWaalsContact C-N 3.34Å; K177-R179 PolarHBondContact O-N 2.87Å; K177-E180 VanDerWaalsContact CD-OE2 3.3Å; K177-E180 WeakPolarHBondContact CD-OE2 3.49Å; K177-E180 IonicContact NZ-OE1 2.63Å; K177-E180 PolarHBondContact NZ-OE1 3.08Å; K177-E180 IonicContact NZ-OE2 3.89Å; K177-E180 PolarHBondContact NZ-OE2 2.97Å; K177-E180 WeakPolarHBondContact O-CB 3.46Å; K177-E180 PolarHBondContact O-N 3.4Å; K177-L181 HydrophobicContact CG-CD1 4.24Å; K177-L181 VanDerWaalsContact O-CG 3.31Å; K177-L181 WeakPolarHBondContact O-CG 3.49Å; K177-L181 PolarHBondContact O-N 2.97Å |
| 178 | L | 94.6 | Very high | 96.1 | Very high | 90 Ų | 90 | 83.3 Ų | 83.3 | 47% | 0.471 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -59.1 | -45.1 | 174.2 | -71.6 | 174.4 | 0 | 0 | 0 | 111.6 | L16 G174 G175 E180 L181 E182 | L16-L178 HydrophobicContact CD1-CD1 3.73Å; G174-L178 PolarHBondContact O-N 3.36Å; G175-L178 PolarHBondContact O-N 3.48Å; L178-E180 VanDerWaalsContact C-N 3.35Å; L178-E180 PolarHBondContact O-N 3.14Å; L178-L181 PolarHBondContact O-N 3.17Å; L178-E182 WeakPolarHBondContact O-CB 3.33Å; L178-E182 PolarHBondContact O-N 3.47Å |
| 179 | R | 94.9 | Very high | 96.2 | Very high | 159 Ų | 159 | 81.9 Ų | 81.9 | 60% | 0.6 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -62.4 | -40.2 | 177.5 | -169.9 | -179 | -64.3 | 158.3 | 2.2 | 112.7 | G175 A176 K177 S183 | G175-R179 PolarHBondContact O-N 3.38Å; A176-R179 PolarHBondContact O-N 2.8Å; K177-R179 VanDerWaalsContact C-N 3.34Å; K177-R179 PolarHBondContact O-N 2.87Å; R179-S183 WeakPolarHBondContact O-CB 3.39Å; R179-S183 PolarHBondContact O-N 3.39Å |
| 180 | E | 97.4 | Very high | 96.3 | Very high | 93 Ų | 93 | 81.4 Ų | 81.4 | 44% | 0.435 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62 | -46.7 | 174.4 | -170.9 | -157.6 | 142.4 | 0 | 0 | 111.1 | A176 K177 L178 E182 S183 N184 | A176-E180 PolarHBondContact O-N 3.32Å; A176-E180 VanDerWaalsContact O-N 3.09Å; K177-E180 VanDerWaalsContact CD-OE2 3.3Å; K177-E180 WeakPolarHBondContact CD-OE2 3.49Å; K177-E180 IonicContact NZ-OE1 2.63Å; K177-E180 PolarHBondContact NZ-OE1 3.08Å; K177-E180 IonicContact NZ-OE2 3.89Å; K177-E180 PolarHBondContact NZ-OE2 2.97Å; K177-E180 WeakPolarHBondContact O-CB 3.46Å; K177-E180 PolarHBondContact O-N 3.4Å; L178-E180 VanDerWaalsContact C-N 3.35Å; L178-E180 PolarHBondContact O-N 3.14Å; E180-E182 PolarHBondContact O-N 2.9Å; E180-S183 PolarHBondContact O-N 2.83Å; E180-N184 WeakPolarHBondContact O-CB 3.46Å; E180-N184 PolarHBondContact O-N 3.46Å; E180-N184 PolarHBondContact O-ND2 2.9Å |
| 181 | L | 97.6 | Very high | 96.4 | Very high | 91 Ų | 91 | 81.7 Ų | 81.7 | 48% | 0.476 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.7 | -40.6 | 178.6 | -70.5 | 172.7 | 0 | 0 | 0 | 112.1 | K177 L178 N184 W185 | K177-L181 HydrophobicContact CG-CD1 4.24Å; K177-L181 VanDerWaalsContact O-CG 3.31Å; K177-L181 WeakPolarHBondContact O-CG 3.49Å; K177-L181 PolarHBondContact O-N 2.97Å; L178-L181 PolarHBondContact O-N 3.17Å; L181-N184 PolarHBondContact O-N 3.34Å; L181-W185 WeakPolarHBondContact O-CB 3.29Å; L181-W185 PolarHBondContact O-N 3.24Å |
| 182 | E | 96.9 | Very high | 96.6 | Very high | 127 Ų | 127 | 85.2 Ų | 85.2 | 59% | 0.593 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -62.5 | -47.7 | 175.2 | -174.5 | 179.6 | -168.1 | 0 | 0 | 111.2 | L178 E180 N184 W185 V186 | L178-E182 WeakPolarHBondContact O-CB 3.33Å; L178-E182 PolarHBondContact O-N 3.47Å; E180-E182 PolarHBondContact O-N 2.9Å; E182-N184 VanDerWaalsContact C-N 3.32Å; E182-N184 PolarHBondContact O-N 2.91Å; E182-W185 WeakPolarHBondContact O-CB 3.32Å; E182-W185 PolarHBondContact O-N 3.19Å; E182-V186 WeakPolarHBondContact O-CG2 3.43Å; E182-V186 PolarHBondContact O-N 3.43Å |
| 183 | S | 97.6 | Very high | 96.7 | Very high | 77 Ų | 77 | 89 Ų | 89 | 54% | 0.538 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -60.3 | -42 | 176.1 | -176.2 | 0 | 0 | 0 | 0 | 112.2 | R179 E180 W185 V186 S187 | R179-S183 WeakPolarHBondContact O-CB 3.39Å; R179-S183 PolarHBondContact O-N 3.39Å; E180-S183 PolarHBondContact O-N 2.83Å; S183-W185 VanDerWaalsContact C-N 3.34Å; S183-V186 PolarHBondContact O-N 2.76Å; S183-S187 WeakPolarHBondContact O-CB 3.09Å; S183-S187 PolarHBondContact O-N 3.06Å |
| 184 | N | 98.1 | Very high | 96.8 | Very high | 77 Ų | 77 | 91.8 Ų | 91.8 | 41% | 0.412 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.8 | -42 | 176.2 | -72.9 | -20.7 | 0 | 0 | 0 | 111.1 | E180 L181 E182 S187 L188 | E180-N184 WeakPolarHBondContact O-CB 3.46Å; E180-N184 PolarHBondContact O-N 3.46Å; E180-N184 PolarHBondContact O-ND2 2.9Å; L181-N184 PolarHBondContact O-N 3.34Å; E182-N184 VanDerWaalsContact C-N 3.32Å; E182-N184 PolarHBondContact O-N 2.91Å; N184-S187 PolarHBondContact O-N 2.93Å; N184-L188 WeakPolarHBondContact O-CB 3.37Å; N184-L188 VanDerWaalsContact O-CG 3.25Å; N184-L188 WeakPolarHBondContact O-CG 3.31Å; N184-L188 PolarHBondContact O-N 3.27Å |
| 185 | W | 98.3 | Very high | 97 | Very high | 165 Ų | 165 | 94.1 Ų | 94.1 | 63% | 0.625 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -61.7 | -49.2 | 176.1 | 176 | 83.3 | 0 | 0 | 0 | 111.7 | L181 E182 S183 S187 L188 V189 | L181-W185 WeakPolarHBondContact O-CB 3.29Å; L181-W185 PolarHBondContact O-N 3.24Å; E182-W185 WeakPolarHBondContact O-CB 3.32Å; E182-W185 PolarHBondContact O-N 3.19Å; S183-W185 VanDerWaalsContact C-N 3.34Å; W185-S187 VanDerWaalsContact C-N 3.29Å; W185-S187 PolarHBondContact O-N 3.48Å; W185-L188 PolarHBondContact O-N 3.45Å; W185-V189 HydrophobicContact CD2-CG2 4.1Å; W185-V189 HydrophobicContact CG-CG2 4.44Å; W185-V189 HydrophobicContact CZ2-CG2 3.89Å; W185-V189 WeakPolarHBondContact O-CG2 3.07Å; W185-V189 PolarHBondContact O-N 3.26Å |
| 186 | V | 98.2 | Very high | 97.2 | Very high | 69 Ų | 69 | 100 Ų | 100 | 42% | 0.418 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58 | -43.4 | 176.8 | 173.5 | 0 | 0 | 0 | 0 | 111.1 | E182 S183 S190 | E182-V186 WeakPolarHBondContact O-CG2 3.43Å; E182-V186 PolarHBondContact O-N 3.43Å; S183-V186 PolarHBondContact O-N 2.76Å; V186-S190 VanDerWaalsContact O-CB 3.29Å; V186-S190 WeakPolarHBondContact O-CB 3.36Å; V186-S190 PolarHBondContact O-N 2.95Å; V186-S190 PolarHBondContact O-OG 3.41Å |
| 187 | S | 97.9 | Very high | 97.3 | Very high | 73 Ų | 73 | 104.1 Ų | 104.1 | 51% | 0.51 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.2 | -46.5 | 177.3 | -179.4 | 0 | 0 | 0 | 0 | 112.2 | S183 N184 W185 S190 K191 | S183-S187 WeakPolarHBondContact O-CB 3.09Å; S183-S187 PolarHBondContact O-N 3.06Å; N184-S187 PolarHBondContact O-N 2.93Å; W185-S187 VanDerWaalsContact C-N 3.29Å; W185-S187 PolarHBondContact O-N 3.48Å; S187-S190 PolarHBondContact O-N 3.33Å; S187-K191 VanDerWaalsContact O-CB 3.31Å; S187-K191 WeakPolarHBondContact O-CB 3.44Å; S187-K191 PolarHBondContact O-N 3.11Å |
| 188 | L | 97.9 | Very high | 97.4 | Very high | 108 Ų | 108 | 101.4 Ų | 101.4 | 57% | 0.565 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.8 | -44.1 | 178.4 | -73.1 | 170.9 | 0 | 0 | 0 | 112.1 | N184 W185 K191 N192 | N184-L188 WeakPolarHBondContact O-CB 3.37Å; N184-L188 VanDerWaalsContact O-CG 3.25Å; N184-L188 WeakPolarHBondContact O-CG 3.31Å; N184-L188 PolarHBondContact O-N 3.27Å; W185-L188 PolarHBondContact O-N 3.45Å; L188-K191 PolarHBondContact O-N 2.91Å; L188-N192 PolarHBondContact O-N 3.5Å |
| 189 | V | 98 | Very high | 97.5 | Very high | 66 Ų | 66 | 101 Ų | 101 | 40% | 0.4 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.4 | -44.8 | 176.7 | 172.2 | 0 | 0 | 0 | 0 | 110.7 | W185 K191 N192 Y193 | W185-V189 HydrophobicContact CD2-CG2 4.1Å; W185-V189 HydrophobicContact CG-CG2 4.44Å; W185-V189 HydrophobicContact CZ2-CG2 3.89Å; W185-V189 WeakPolarHBondContact O-CG2 3.07Å; W185-V189 PolarHBondContact O-N 3.26Å; V189-K191 VanDerWaalsContact C-N 3.34Å; V189-K191 PolarHBondContact O-N 3.48Å; V189-N192 PolarHBondContact O-N 2.96Å; V189-Y193 PolarHBondContact O-N 2.87Å |
| 190 | S | 97.8 | Very high | 97.6 | Very high | 54 Ų | 54 | 97.1 Ų | 97.1 | 38% | 0.378 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.1 | -43.1 | 177.8 | -58 | 0 | 0 | 0 | 0 | 111.3 | V186 S187 Y193 E194 | V186-S190 VanDerWaalsContact O-CB 3.29Å; V186-S190 WeakPolarHBondContact O-CB 3.36Å; V186-S190 PolarHBondContact O-N 2.95Å; V186-S190 PolarHBondContact O-OG 3.41Å; S187-S190 PolarHBondContact O-N 3.33Å; S190-Y193 WeakPolarHBondContact O-CB 3.37Å; S190-Y193 PolarHBondContact O-N 3.11Å; S190-E194 WeakPolarHBondContact O-CG 3.35Å; S190-E194 PolarHBondContact O-N 3.01Å |
| 191 | K | 97.9 | Very high | 97.5 | Very high | 125 Ų | 125 | 97.3 Ų | 97.3 | 54% | 0.543 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65 | -41.1 | 177.7 | -170.5 | 173 | -175.2 | 178 | 0 | 112.3 | S187 L188 V189 Y193 E194 I195 | S187-K191 VanDerWaalsContact O-CB 3.31Å; S187-K191 WeakPolarHBondContact O-CB 3.44Å; S187-K191 PolarHBondContact O-N 3.11Å; L188-K191 PolarHBondContact O-N 2.91Å; V189-K191 VanDerWaalsContact C-N 3.34Å; V189-K191 PolarHBondContact O-N 3.48Å; K191-Y193 VanDerWaalsContact C-N 3.31Å; K191-Y193 PolarHBondContact O-N 2.7Å; K191-E194 PolarHBondContact O-N 3.43Å; K191-I195 HydrophobicContact CG-CD1 4.1Å; K191-I195 WeakPolarHBondContact O-CD1 3.34Å; K191-I195 VanDerWaalsContact O-CG1 3.23Å; K191-I195 WeakPolarHBondContact O-CG1 3.31Å; K191-I195 PolarHBondContact O-N 2.95Å |
| 192 | N | 97.8 | Very high | 97.5 | Very high | 94 Ų | 94 | 97.8 Ų | 97.8 | 50% | 0.503 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.1 | -44.4 | 173.5 | -76.8 | -13.2 | 0 | 0 | 0 | 110.9 | L188 V189 E194 I195 E196 | L188-N192 PolarHBondContact O-N 3.5Å; V189-N192 PolarHBondContact O-N 2.96Å; N192-E194 PolarHBondContact O-N 3.35Å; N192-I195 PolarHBondContact O-N 2.86Å; N192-E196 WeakPolarHBondContact O-CG 3.42Å; N192-E196 PolarHBondContact O-N 3.33Å |
| 193 | Y | 97.6 | Very high | 97.4 | Very high | 149 Ų | 149 | 97.7 Ų | 97.7 | 58% | 0.584 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.9 | -41.7 | 176.7 | -177.5 | -102.7 | 0 | 0 | 0 | 112.9 | V189 S190 K191 I195 E196 R197 | V189-Y193 PolarHBondContact O-N 2.87Å; S190-Y193 WeakPolarHBondContact O-CB 3.37Å; S190-Y193 PolarHBondContact O-N 3.11Å; K191-Y193 VanDerWaalsContact C-N 3.31Å; K191-Y193 PolarHBondContact O-N 2.7Å; Y193-I195 VanDerWaalsContact C-N 3.34Å; Y193-I195 PolarHBondContact O-N 2.97Å; Y193-E196 PolarHBondContact O-N 3.48Å; Y193-R197 WeakPolarHBondContact O-CB 3.44Å; Y193-R197 PolarHBondContact O-N 2.97Å |
| 194 | E | 97.4 | Very high | 97.2 | Very high | 124 Ų | 124 | 98.6 Ų | 98.6 | 58% | 0.579 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61.2 | -41.9 | 174.6 | -74.7 | 174.4 | -175.9 | 0 | 0 | 112.1 | S190 K191 N192 R197 A198 | S190-E194 WeakPolarHBondContact O-CG 3.35Å; S190-E194 PolarHBondContact O-N 3.01Å; K191-E194 PolarHBondContact O-N 3.43Å; N192-E194 PolarHBondContact O-N 3.35Å; E194-R197 PolarHBondContact O-N 3.37Å; E194-A198 WeakPolarHBondContact O-CB 3.42Å; E194-A198 PolarHBondContact O-N 2.95Å |
| 195 | I | 97.5 | Very high | 97 | Very high | 82 Ų | 82 | 100.2 Ų | 100.2 | 42% | 0.421 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.2 | -49.1 | 176.5 | -69.2 | 164.3 | 0 | 0 | 0 | 110.4 | K191 N192 Y193 R197 A198 I199 | K191-I195 HydrophobicContact CG-CD1 4.1Å; K191-I195 WeakPolarHBondContact O-CD1 3.34Å; K191-I195 VanDerWaalsContact O-CG1 3.23Å; K191-I195 WeakPolarHBondContact O-CG1 3.31Å; K191-I195 PolarHBondContact O-N 2.95Å; N192-I195 PolarHBondContact O-N 2.86Å; Y193-I195 VanDerWaalsContact C-N 3.34Å; Y193-I195 PolarHBondContact O-N 2.97Å; I195-R197 VanDerWaalsContact C-N 3.29Å; I195-R197 PolarHBondContact O-N 3.28Å; I195-A198 PolarHBondContact O-N 3.48Å; I195-A198 VanDerWaalsContact O-N 3.15Å; I195-I199 HydrophobicContact CG2-CD1 3.77Å; I195-I199 HydrophobicContact CG2-CG1 4.37Å; I195-I199 VanDerWaalsContact O-CG1 3.32Å; I195-I199 WeakPolarHBondContact O-CG1 3.41Å; I195-I199 PolarHBondContact O-N 3.09Å |
| 196 | E | 97.1 | Very high | 96.8 | Very high | 122 Ų | 122 | 95.7 Ų | 95.7 | 57% | 0.57 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -57.5 | -43.9 | 177.2 | -75.3 | 178.6 | -174.9 | 0 | 0 | 111.4 | N192 Y193 A198 I199 V200 | N192-E196 WeakPolarHBondContact O-CG 3.42Å; N192-E196 PolarHBondContact O-N 3.33Å; Y193-E196 PolarHBondContact O-N 3.48Å; E196-A198 PolarHBondContact O-N 3.19Å; E196-I199 PolarHBondContact O-N 3.36Å; E196-V200 WeakPolarHBondContact O-CG2 3.47Å; E196-V200 PolarHBondContact O-N 3.48Å |
| 197 | R | 97.6 | Very high | 96.5 | Very high | 144 Ų | 144 | 94 Ų | 94 | 54% | 0.543 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.3 | -42.9 | 176.5 | -163.7 | -176.8 | 91 | -174.3 | 4.1 | 112.1 | Y193 E194 I195 V200 Q201 | Y193-R197 WeakPolarHBondContact O-CB 3.44Å; Y193-R197 PolarHBondContact O-N 2.97Å; E194-R197 PolarHBondContact O-N 3.37Å; I195-R197 VanDerWaalsContact C-N 3.29Å; I195-R197 PolarHBondContact O-N 3.28Å; R197-V200 PolarHBondContact O-N 2.9Å; R197-Q201 WeakPolarHBondContact O-CG 3.42Å; R197-Q201 PolarHBondContact O-N 3.17Å |
| 198 | A | 97.2 | Very high | 96.2 | Very high | 41 Ų | 41 | 97 Ų | 97 | 34% | 0.339 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.5 | -39.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | E194 I195 E196 Q201 L202 | E194-A198 WeakPolarHBondContact O-CB 3.42Å; E194-A198 PolarHBondContact O-N 2.95Å; I195-A198 PolarHBondContact O-N 3.48Å; I195-A198 VanDerWaalsContact O-N 3.15Å; E196-A198 PolarHBondContact O-N 3.19Å; A198-Q201 PolarHBondContact O-N 3.36Å; A198-L202 WeakPolarHBondContact O-CB 3.49Å; A198-L202 WeakPolarHBondContact O-CG 3.42Å; A198-L202 PolarHBondContact O-N 2.96Å |
| 199 | I | 96.9 | Very high | 95.8 | Very high | 80 Ų | 80 | 96.7 Ų | 96.7 | 41% | 0.41 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.4 | -50 | 174.6 | -69.3 | 166.9 | 0 | 0 | 0 | 110 | I195 E196 Q201 L202 E203 | I195-I199 HydrophobicContact CG2-CD1 3.77Å; I195-I199 HydrophobicContact CG2-CG1 4.37Å; I195-I199 VanDerWaalsContact O-CG1 3.32Å; I195-I199 WeakPolarHBondContact O-CG1 3.41Å; I195-I199 PolarHBondContact O-N 3.09Å; E196-I199 PolarHBondContact O-N 3.36Å; I199-Q201 VanDerWaalsContact C-N 3.28Å; I199-Q201 PolarHBondContact O-N 2.9Å; I199-L202 PolarHBondContact O-N 3.19Å; I199-L202 VanDerWaalsContact O-N 3.16Å; I199-E203 HydrophobicContact CG2-CG 4.2Å; I199-E203 WeakPolarHBondContact O-CB 3.48Å; I199-E203 WeakPolarHBondContact O-CG 3.41Å; I199-E203 PolarHBondContact O-N 3.38Å |
| 200 | V | 96.9 | Very high | 95.3 | Very high | 79 Ų | 79 | 100.5 Ų | 100.5 | 48% | 0.479 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.2 | -38.4 | 178.4 | 171.9 | 0 | 0 | 0 | 0 | 111.6 | E196 R197 N204 | E196-V200 WeakPolarHBondContact O-CG2 3.47Å; E196-V200 PolarHBondContact O-N 3.48Å; R197-V200 PolarHBondContact O-N 2.9Å; V200-N204 WeakPolarHBondContact O-CB 3.36Å; V200-N204 VanDerWaalsContact O-CG 3.3Å; V200-N204 PolarHBondContact O-N 2.92Å; V200-N204 VanDerWaalsContact O-N 3.1Å; V200-N204 PolarHBondContact O-ND2 3.19Å |
| 201 | Q | 96.3 | Very high | 94.6 | Very high | 96 Ų | 96 | 104.5 Ų | 104.5 | 45% | 0.449 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.8 | -46.9 | 175.3 | -74.4 | 176.6 | -16.8 | 0 | 0 | 111.7 | R197 A198 I199 N204 E205 | R197-Q201 WeakPolarHBondContact O-CG 3.42Å; R197-Q201 PolarHBondContact O-N 3.17Å; A198-Q201 PolarHBondContact O-N 3.36Å; I199-Q201 VanDerWaalsContact C-N 3.28Å; I199-Q201 PolarHBondContact O-N 2.9Å; Q201-N204 WeakPolarHBondContact O-CB 3.25Å; Q201-N204 PolarHBondContact O-N 3.42Å; Q201-E205 WeakPolarHBondContact O-CG 3.48Å; Q201-E205 PolarHBondContact O-N 3.43Å |
| 202 | L | 96.1 | Very high | 93.8 | Very high | 102 Ų | 102 | 104 Ų | 104 | 53% | 0.534 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.9 | -40.6 | 177.4 | -74 | 169.2 | 0 | 0 | 0 | 112.3 | A198 I199 N204 E205 V206 | A198-L202 WeakPolarHBondContact O-CB 3.49Å; A198-L202 WeakPolarHBondContact O-CG 3.42Å; A198-L202 PolarHBondContact O-N 2.96Å; I199-L202 PolarHBondContact O-N 3.19Å; I199-L202 VanDerWaalsContact O-N 3.16Å; L202-N204 VanDerWaalsContact C-N 3.31Å; L202-N204 PolarHBondContact O-N 3.15Å; L202-E205 PolarHBondContact O-N 2.86Å; L202-V206 WeakPolarHBondContact O-CB 3.49Å; L202-V206 VanDerWaalsContact O-CG2 3.28Å; L202-V206 WeakPolarHBondContact O-CG2 3.5Å; L202-V206 PolarHBondContact O-N 2.93Å |
| 203 | E | 95.1 | Very high | 92.8 | Very high | 124 Ų | 124 | 105.7 Ų | 105.7 | 58% | 0.579 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.1 | -41.1 | 175.2 | -74.9 | 178.6 | 165.1 | 0 | 0 | 111.5 | I199 G207 | I199-E203 HydrophobicContact CG2-CG 4.2Å; I199-E203 WeakPolarHBondContact O-CB 3.48Å; I199-E203 WeakPolarHBondContact O-CG 3.41Å; I199-E203 PolarHBondContact O-N 3.38Å; E203-G207 PolarHBondContact O-N 3.4Å |
| 204 | N | 94.3 | Very high | 91.7 | Very high | 97 Ų | 97 | 100 Ų | 100 | 52% | 0.519 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.5 | -41.1 | 174.3 | -75.9 | -46.8 | 0 | 0 | 0 | 112.4 | V200 Q201 L202 G207 K208 | V200-N204 WeakPolarHBondContact O-CB 3.36Å; V200-N204 VanDerWaalsContact O-CG 3.3Å; V200-N204 PolarHBondContact O-N 2.92Å; V200-N204 VanDerWaalsContact O-N 3.1Å; V200-N204 PolarHBondContact O-ND2 3.19Å; Q201-N204 WeakPolarHBondContact O-CB 3.25Å; Q201-N204 PolarHBondContact O-N 3.42Å; L202-N204 VanDerWaalsContact C-N 3.31Å; L202-N204 PolarHBondContact O-N 3.15Å; N204-G207 PolarHBondContact O-N 3.44Å; N204-K208 WeakPolarHBondContact O-CG 3.45Å; N204-K208 PolarHBondContact O-N 3.39Å |
| 205 | E | 94 | Very high | 90.4 | Very high | 110 Ų | 110 | 98.1 Ų | 98.1 | 51% | 0.514 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.6 | -45.8 | 175.7 | -73.9 | 176.7 | -172.9 | 0 | 0 | 111.9 | Q201 L202 G207 K208 L209 | Q201-E205 WeakPolarHBondContact O-CG 3.48Å; Q201-E205 PolarHBondContact O-N 3.43Å; L202-E205 PolarHBondContact O-N 2.86Å; E205-G207 VanDerWaalsContact C-N 3.3Å; E205-G207 PolarHBondContact O-N 2.96Å; E205-K208 PolarHBondContact O-N 3.39Å; E205-L209 WeakPolarHBondContact O-CG 3.41Å; E205-L209 PolarHBondContact O-N 3.14Å |
| 206 | V | 93.4 | Very high | 89 | Confident | 70 Ų | 70 | 99.8 Ų | 99.8 | 42% | 0.424 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61 | -40.8 | 174.6 | 170.7 | 0 | 0 | 0 | 0 | 110.8 | L202 L209 K210 | L202-V206 WeakPolarHBondContact O-CB 3.49Å; L202-V206 VanDerWaalsContact O-CG2 3.28Å; L202-V206 WeakPolarHBondContact O-CG2 3.5Å; L202-V206 PolarHBondContact O-N 2.93Å; V206-L209 PolarHBondContact O-N 3.37Å; V206-K210 HydrophobicContact CG1-CD 4.27Å; V206-K210 WeakPolarHBondContact O-CB 3.29Å; V206-K210 WeakPolarHBondContact O-CG 3.48Å; V206-K210 PolarHBondContact O-N 3Å |
| 207 | G | 91.6 | Very high | 87.4 | Confident | 35 Ų | 35 | 98.8 Ų | 98.8 | 36% | 0.361 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -57.4 | -47.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | E203 N204 E205 K210 Q211 | E203-G207 PolarHBondContact O-N 3.4Å; N204-G207 PolarHBondContact O-N 3.44Å; E205-G207 VanDerWaalsContact C-N 3.3Å; E205-G207 PolarHBondContact O-N 2.96Å; G207-K210 PolarHBondContact O-N 3.18Å; G207-Q211 PolarHBondContact O-N 3.32Å; G207-Q211 VanDerWaalsContact O-N 3.14Å |
| 208 | K | 91.8 | Very high | 85.7 | Confident | 134 Ų | 134 | 98 Ų | 98 | 58% | 0.583 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.4 | -45.2 | 177 | -72.1 | 173.4 | -176.2 | 177 | 0 | 112.6 | N204 E205 K210 Q211 Q212 | N204-K208 WeakPolarHBondContact O-CG 3.45Å; N204-K208 PolarHBondContact O-N 3.39Å; E205-K208 PolarHBondContact O-N 3.39Å; K208-K210 PolarHBondContact O-N 2.94Å; K208-Q211 WeakPolarHBondContact O-CB 3.49Å; K208-Q211 PolarHBondContact O-N 3.25Å; K208-Q212 WeakPolarHBondContact O-CG 3.44Å; K208-Q212 PolarHBondContact O-N 3.27Å |
| 209 | L | 89.6 | Confident | 84 | Confident | 103 Ų | 103 | 102.1 Ų | 102.1 | 54% | 0.539 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.6 | -41.3 | 178.9 | -73.9 | 169.8 | 0 | 0 | 0 | 112 | E205 V206 Q211 Q212 Q213 | E205-L209 WeakPolarHBondContact O-CG 3.41Å; E205-L209 PolarHBondContact O-N 3.14Å; V206-L209 PolarHBondContact O-N 3.37Å; L209-Q211 VanDerWaalsContact C-N 3.29Å; L209-Q211 PolarHBondContact O-N 3.17Å; L209-Q212 PolarHBondContact O-N 3.08Å; L209-Q213 PolarHBondContact O-N 3.32Å |
| 210 | K | 87.4 | Confident | 82.2 | Confident | 146 Ų | 146 | 102.6 Ų | 102.6 | 64% | 0.635 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.7 | -36.5 | 174.3 | -76.5 | -179.5 | 178.9 | 179 | 0 | 112.4 | V206 G207 K208 G214 | V206-K210 HydrophobicContact CG1-CD 4.27Å; V206-K210 WeakPolarHBondContact O-CB 3.29Å; V206-K210 WeakPolarHBondContact O-CG 3.48Å; V206-K210 PolarHBondContact O-N 3Å; G207-K210 PolarHBondContact O-N 3.18Å; K208-K210 PolarHBondContact O-N 2.94Å; K210-G214 PolarHBondContact O-N 2.95Å |
| 211 | Q | 83.3 | Confident | 80.4 | Confident | 137 Ų | 137 | 104 Ų | 104 | 64% | 0.64 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.7 | -48.1 | 174.7 | -119.5 | 173.1 | -3.4 | 0 | 0 | 111.3 | G207 K208 L209 Q213 G214 D215 | G207-Q211 PolarHBondContact O-N 3.32Å; G207-Q211 VanDerWaalsContact O-N 3.14Å; K208-Q211 WeakPolarHBondContact O-CB 3.49Å; K208-Q211 PolarHBondContact O-N 3.25Å; L209-Q211 VanDerWaalsContact C-N 3.29Å; L209-Q211 PolarHBondContact O-N 3.17Å; Q211-Q213 PolarHBondContact O-N 3.1Å; Q211-G214 PolarHBondContact O-N 2.87Å; Q211-G214 VanDerWaalsContact O-N 3.14Å; Q211-D215 PolarHBondContact O-N 3.42Å |
| 212 | Q | 80.6 | Confident | 78.6 | Confident | 115 Ų | 115 | 109.1 Ų | 109.1 | 54% | 0.537 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -59.9 | -47.1 | 178.1 | -72.1 | 175 | -11.2 | 0 | 0 | 112.4 | K208 L209 G214 D215 E216 | K208-Q212 WeakPolarHBondContact O-CG 3.44Å; K208-Q212 PolarHBondContact O-N 3.27Å; L209-Q212 PolarHBondContact O-N 3.08Å; Q212-G214 VanDerWaalsContact C-N 3.29Å; Q212-G214 PolarHBondContact O-N 2.92Å; Q212-D215 PolarHBondContact O-N 3.36Å; Q212-E216 WeakPolarHBondContact O-CG 3.49Å; Q212-E216 PolarHBondContact O-N 3.17Å |
| 213 | Q | 77.1 | Confident | 76.6 | Confident | 129 Ų | 129 | 111.4 Ų | 111.4 | 60% | 0.603 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -62.6 | -36.1 | 174.6 | -77.7 | -171.8 | -19.1 | 0 | 0 | 112.9 | L209 Q211 D215 N217 | L209-Q213 PolarHBondContact O-N 3.32Å; Q211-Q213 PolarHBondContact O-N 3.1Å; Q213-D215 VanDerWaalsContact C-N 3.31Å; Q213-N217 WeakPolarHBondContact O-CB 3.34Å; Q213-N217 PolarHBondContact O-N 3.37Å |
| 214 | G | 74.1 | Confident | 74.4 | Confident | 30 Ų | 30 | 112.3 Ų | 112.3 | 31% | 0.309 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.5 | -35.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | K210 Q211 Q212 K218 | K210-G214 PolarHBondContact O-N 2.95Å; Q211-G214 PolarHBondContact O-N 2.87Å; Q211-G214 VanDerWaalsContact O-N 3.14Å; Q212-G214 VanDerWaalsContact C-N 3.29Å; Q212-G214 PolarHBondContact O-N 2.92Å; G214-K218 WeakPolarHBondContact O-CD 3.4Å; G214-K218 VanDerWaalsContact O-CG 3.24Å; G214-K218 WeakPolarHBondContact O-CG 3.4Å; G214-K218 PolarHBondContact O-N 2.91Å |
| 215 | D | 70.3 | Confident | 72.1 | Confident | 85 Ų | 85 | 118.8 Ų | 118.8 | 46% | 0.455 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -80.1 | -39.4 | 178.3 | -68.2 | -22.6 | 0 | 0 | 0 | 111.9 | Q211 Q212 Q213 N217 K218 E219 | Q211-D215 PolarHBondContact O-N 3.42Å; Q212-D215 PolarHBondContact O-N 3.36Å; Q213-D215 VanDerWaalsContact C-N 3.31Å; D215-N217 PolarHBondContact O-N 3.44Å; D215-K218 PolarHBondContact O-N 3.5Å; D215-K218 VanDerWaalsContact O-N 3.13Å; D215-K218 IonicContact OD1-NZ 3.7Å; D215-E219 PolarHBondContact O-N 2.81Å |
| 216 | E | 67.8 | Low | 71 | Confident | 116 Ų | 116 | 119.2 Ų | 119.2 | 54% | 0.542 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -60 | -42.8 | 170.9 | -75.7 | 178.4 | 170 | 0 | 0 | 112 | Q212 K218 E219 N220 | Q212-E216 WeakPolarHBondContact O-CG 3.49Å; Q212-E216 PolarHBondContact O-N 3.17Å; E216-K218 VanDerWaalsContact C-N 3.31Å; E216-K218 PolarHBondContact O-N 2.97Å; E216-E219 PolarHBondContact O-N 3.36Å; E216-N220 WeakPolarHBondContact O-CB 3.34Å; E216-N220 PolarHBondContact O-N 3.31Å |
| 217 | N | 63.9 | Low | 69.8 | Low | 101 Ų | 101 | 121.8 Ų | 121.8 | 54% | 0.54 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -64.4 | -35.1 | 174.7 | -86.5 | -24.7 | 0 | 0 | 0 | 112.3 | Q213 D215 I221 | Q213-N217 WeakPolarHBondContact O-CB 3.34Å; Q213-N217 PolarHBondContact O-N 3.37Å; D215-N217 PolarHBondContact O-N 3.44Å; N217-I221 WeakPolarHBondContact O-CB 3.32Å; N217-I221 VanDerWaalsContact O-CD1 3.32Å; N217-I221 WeakPolarHBondContact O-CD1 3.24Å; N217-I221 WeakPolarHBondContact O-CG1 3.44Å; N217-I221 PolarHBondContact O-N 2.91Å; N217-I221 VanDerWaalsContact O-N 3.08Å |
| 218 | K | 63 | Low | 68.6 | Low | 127 Ų | 127 | 126.6 Ų | 126.6 | 55% | 0.552 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -71.9 | -34.9 | 175.2 | -74.1 | 168.9 | -169 | 164.1 | 0 | 112.4 | G214 D215 E216 R222 | G214-K218 WeakPolarHBondContact O-CD 3.4Å; G214-K218 VanDerWaalsContact O-CG 3.24Å; G214-K218 WeakPolarHBondContact O-CG 3.4Å; G214-K218 PolarHBondContact O-N 2.91Å; D215-K218 PolarHBondContact O-N 3.5Å; D215-K218 VanDerWaalsContact O-N 3.13Å; D215-K218 IonicContact OD1-NZ 3.7Å; E216-K218 VanDerWaalsContact C-N 3.31Å; E216-K218 PolarHBondContact O-N 2.97Å; K218-R222 WeakPolarHBondContact O-CG 3.18Å; K218-R222 PolarHBondContact O-N 2.95Å; K218-R222 VanDerWaalsContact O-N 3.11Å |
| 219 | E | 61.4 | Low | 67.2 | Low | 129 Ų | 129 | 126.2 Ų | 126.2 | 60% | 0.603 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -69.1 | -43 | 174.4 | -79.5 | -167.8 | 154.1 | 0 | 0 | 111.9 | D215 E216 I221 R222 Q223 | D215-E219 PolarHBondContact O-N 2.81Å; E216-E219 PolarHBondContact O-N 3.36Å; E219-I221 PolarHBondContact O-N 2.99Å; E219-R222 CarbonylContact O-C 3.44Å; E219-R222 WeakPolarHBondContact O-CB 3.34Å; E219-R222 PolarHBondContact O-N 2.78Å; E219-Q223 PolarHBondContact O-N 3.32Å |
| 220 | N | 58.9 | Low | 65.8 | Low | 89 Ų | 89 | 127.6 Ų | 127.6 | 48% | 0.476 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -60.8 | -44.4 | 174 | -77.3 | -23.4 | 0 | 0 | 0 | 111.6 | E216 R222 Q223 D224 | E216-N220 WeakPolarHBondContact O-CB 3.34Å; E216-N220 PolarHBondContact O-N 3.31Å; N220-R222 PolarHBondContact O-N 3.19Å; N220-Q223 PolarHBondContact O-N 3.46Å; N220-Q223 VanDerWaalsContact O-N 3.16Å; N220-D224 PolarHBondContact O-N 3.4Å |
| 221 | I | 58.9 | Low | 64.4 | Low | 108 Ų | 108 | 126.4 Ų | 126.4 | 55% | 0.554 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -62 | -29.9 | 174.5 | -67.6 | 164.8 | 0 | 0 | 0 | 111.5 | N217 E219 F225 | N217-I221 WeakPolarHBondContact O-CB 3.32Å; N217-I221 VanDerWaalsContact O-CD1 3.32Å; N217-I221 WeakPolarHBondContact O-CD1 3.24Å; N217-I221 WeakPolarHBondContact O-CG1 3.44Å; N217-I221 PolarHBondContact O-N 2.91Å; N217-I221 VanDerWaalsContact O-N 3.08Å; E219-I221 PolarHBondContact O-N 2.99Å; I221-F225 HydrophobicContact CG2-CE2 4.36Å; I221-F225 VanDerWaalsContact O-CD2 3.3Å; I221-F225 WeakPolarHBondContact O-CD2 3.35Å |
| 222 | R | 57.3 | Low | 63 | Low | 204 Ų | 204 | 125.6 Ų | 125.6 | 77% | 0.77 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -80.4 | -20.2 | 177 | -80.2 | 178.6 | 174.6 | -174.9 | -0.6 | 114.4 | K218 E219 N220 | K218-R222 WeakPolarHBondContact O-CG 3.18Å; K218-R222 PolarHBondContact O-N 2.95Å; K218-R222 VanDerWaalsContact O-N 3.11Å; E219-R222 CarbonylContact O-C 3.44Å; E219-R222 WeakPolarHBondContact O-CB 3.34Å; E219-R222 PolarHBondContact O-N 2.78Å; N220-R222 PolarHBondContact O-N 3.19Å |
| 223 | Q | 54.1 | Low | 61.7 | Low | 151 Ų | 151 | 126.5 Ų | 126.5 | 71% | 0.706 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -85.8 | -20.6 | 176.3 | -73.1 | -174.4 | -0.6 | 0 | 0 | 113 | E219 N220 | E219-Q223 PolarHBondContact O-N 3.32Å; N220-Q223 PolarHBondContact O-N 3.46Å; N220-Q223 VanDerWaalsContact O-N 3.16Å |
| 224 | D | 50.6 | Low | 60.4 | Low | 142 Ų | 142 | 126.3 Ų | 126.3 | 76% | 0.759 | 61% | 0.607 | S | S | * | * | trans | -88.4 | 6.2 | 179.3 | -75.2 | -25.2 | 0 | 0 | 0 | 114.3 | N220 | N220-D224 PolarHBondContact O-N 3.4Š| ||
| 225 | F | 44.9 | Very low | 59.2 | Low | 233 Ų | 233 | 135 Ų | 135 | 100% | 1.022 | 63% | 0.634 | S | S | * | * | trans | -120.5 | 0 | 170.8 | -77.2 | -82.6 | 0 | 0 | 0 | 111.1 | I221 | I221-F225 HydrophobicContact CG2-CE2 4.36Å; I221-F225 VanDerWaalsContact O-CD2 3.3Å; I221-F225 WeakPolarHBondContact O-CD2 3.35Å |
Retrieved 225 of 225 residues in 1426.9 ms
(Link to these results)