| 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 | 37.2 | Very low | 53 | Low | 245 Ų | 245 | 138.2 Ų | 138.2 | 100% | 1.207 | 82% | 0.82 | S | S | * | * | 0 | 129.9 | 0 | -68.5 | -160 | 81.8 | 0 | 0 | 107.5 | |||||
| 2 | A | 38.1 | Very low | 55.1 | Low | 95 Ų | 95 | 132.8 Ų | 132.8 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | trans | 6.1 | 106.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | A4 | A2-A4 PolarHBondContact O-N 3.24Å; A2-A4 VanDerWaalsContact O-N 3.14Å | ||
| 3 | S | 48 | Very low | 57.6 | Low | 121 Ų | 121 | 128.7 Ų | 128.7 | 85% | 0.846 | 76% | 0.763 | S | S | * | * | trans | -58.3 | 108 | 144.9 | -62.6 | 0 | 0 | 0 | 0 | 106.9 | D5 | S3-D5 PolarHBondContact O-N 3.1Š| ||
| 4 | A | 51.5 | Low | 59.7 | Low | 97 Ų | 97 | 127 Ų | 127 | 80% | 0.802 | 75% | 0.754 | S | S | * | * | trans | -80.8 | 115.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | A2 | A2-A4 PolarHBondContact O-N 3.24Å; A2-A4 VanDerWaalsContact O-N 3.14Å | ||
| 5 | D | 44.8 | Very low | 61.6 | Low | 135 Ų | 135 | 129.9 Ų | 129.9 | 72% | 0.722 | 75% | 0.753 | S | S | * | * | trans | -39.2 | 131.8 | 178.4 | -68.7 | -70.2 | 0 | 0 | 0 | 113.8 | S3 Q7 | S3-D5 PolarHBondContact O-N 3.1Å; D5-Q7 PolarHBondContact O-N 3.44Å | ||
| 6 | S | 54.2 | Low | 63.4 | Low | 130 Ų | 130 | 123.5 Ų | 123.5 | 91% | 0.909 | 72% | 0.724 | S | S | * | * | trans | -67.6 | 67 | 158 | 32.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 7 | Q | 56.6 | Low | 64.9 | Low | 153 Ų | 153 | 119.6 Ų | 119.6 | 72% | 0.715 | 70% | 0.699 | S | S | * | * | trans | -78.4 | 139 | 166.8 | -104.9 | -172.8 | -80.7 | 0 | 0 | 109.9 | D5 R9 | D5-Q7 PolarHBondContact O-N 3.44Å; Q7-R9 PolarHBondContact O-N 3.5Å | ||
| 8 | P | 53.8 | Low | 66.4 | Low | 107 Ų | 107 | 118.7 Ų | 118.7 | 70% | 0.695 | 69% | 0.69 | S | S | * | * | trans | -67.1 | 107.3 | 174.9 | 25.9 | -30.7 | 0 | 0 | 0 | 110 | F10 | P8-F10 PolarHBondContact O-N 3.07Š| ||
| 9 | R | 65.6 | Low | 67.8 | Low | 144 Ų | 144 | 116.7 Ų | 116.7 | 54% | 0.543 | 68% | 0.684 | S | S | . | * | trans | -74.5 | 60.4 | 174.8 | -82.9 | 163.7 | 152.3 | -148.3 | 5.3 | 111 | Q7 G11 Q12 L17 D20 | Q7-R9 PolarHBondContact O-N 3.5Å; R9-G11 PolarHBondContact O-N 3.13Å; R9-Q12 HydrophobicContact CB-CB 4.26Å; R9-Q12 VanDerWaalsContact CG-OE1 3.31Å; R9-Q12 VanDerWaalsContact CZ-OE1 3.32Å; R9-Q12 VanDerWaalsContact NH1-OE1 3.12Å; R9-Q12 PolarHBondContact O-N 3.43Å; R9-L17 HydrophobicContact CB-CD2 4.36Å; R9-D20 IonicContact CZ-OD2 3.71Å; R9-D20 IonicContact NH1-OD2 2.84Å; R9-D20 PolarHBondContact NH1-OD2 3.38Å; R9-D20 IonicContact NH2-OD2 3.65Å | ||
| 10 | F | 62.6 | Low | 69.1 | Low | 207 Ų | 207 | 114.6 Ų | 114.6 | 91% | 0.908 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | 129.1 | 173.8 | -116 | -92 | 0 | 0 | 0 | 109.6 | P8 | P8-F10 PolarHBondContact O-N 3.07Š|
| 11 | G | 70.6 | Confident | 70.3 | Confident | 86 Ų | 86 | 116.8 Ų | 116.8 | 89% | 0.887 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 94.2 | -4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 116 | R9 | R9-G11 PolarHBondContact O-N 3.13Š|
| 12 | Q | 78.4 | Confident | 73.1 | Confident | 74 Ų | 74 | 110 Ų | 110 | 35% | 0.346 | 64% | 0.643 | S | S | . | * | trans | -87.8 | 129.9 | 176.1 | -148.7 | 167.8 | 12.9 | 0 | 0 | 111.1 | R9 V14 L17 | R9-Q12 HydrophobicContact CB-CB 4.26Å; R9-Q12 VanDerWaalsContact CG-OE1 3.31Å; R9-Q12 VanDerWaalsContact CZ-OE1 3.32Å; R9-Q12 VanDerWaalsContact NH1-OE1 3.12Å; R9-Q12 PolarHBondContact O-N 3.43Å; Q12-V14 PolarHBondContact O-N 2.77Å; Q12-L17 HydrophobicContact CB-CD2 4.2Å; Q12-L17 HydrophobicContact CB-CG 4.3Å; Q12-L17 HydrophobicContact CG-CD2 4.14Å; Q12-L17 HydrophobicContact CG-CG 4.35Å | ||
| 13 | S | 87.3 | Confident | 75.9 | Confident | 79 Ų | 79 | 107.6 Ų | 107.6 | 55% | 0.552 | 63% | 0.627 | S | S | * | * | trans | -61.9 | 136.9 | 176.8 | 179.1 | 0 | 0 | 0 | 0 | 110.6 | K15 G16 L17 | S13-K15 PolarHBondContact O-N 2.92Å; S13-K15 VanDerWaalsContact O-N 3.09Å; S13-K15 PolarHBondContact OG-N 3.32Å; S13-G16 WeakPolarHBondContact O-CA 3.46Å; S13-G16 PolarHBondContact O-N 3.47Å; S13-L17 PolarHBondContact O-N 3.42Å; S13-L17 VanDerWaalsContact O-N 3.12Å | ||
| 14 | V | 87.4 | Confident | 78.1 | Confident | 105 Ų | 105 | 105.2 Ų | 105.2 | 64% | 0.636 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -49.8 | -37.2 | 174.5 | 177.6 | 0 | 0 | 0 | 0 | 111.4 | Q12 G16 L17 L18 | Q12-V14 PolarHBondContact O-N 2.77Å; V14-G16 PolarHBondContact O-N 3.38Å; V14-L17 PolarHBondContact O-N 2.99Å; V14-L18 HydrophobicContact CG1-CD1 4.02Å; V14-L18 HydrophobicContact CG1-CG 4.41Å; V14-L18 WeakPolarHBondContact O-CB 3.29Å; V14-L18 WeakPolarHBondContact O-CG 3.5Å; V14-L18 PolarHBondContact O-N 3.23Å |
| 15 | K | 88.7 | Confident | 80.3 | Confident | 170 Ų | 170 | 104 Ų | 104 | 74% | 0.739 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -61.6 | -41.9 | 175.9 | -175.9 | -178.7 | 175.7 | -176.8 | 0 | 112.5 | S13 L18 S19 | S13-K15 PolarHBondContact O-N 2.92Å; S13-K15 VanDerWaalsContact O-N 3.09Å; S13-K15 PolarHBondContact OG-N 3.32Å; K15-L18 PolarHBondContact O-N 3.44Å; K15-S19 WeakPolarHBondContact O-CB 3.38Å; K15-S19 PolarHBondContact O-N 2.95Å |
| 16 | G | 89.6 | Confident | 82.8 | Confident | 28 Ų | 28 | 100.8 Ų | 100.8 | 29% | 0.289 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -66 | -44.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | S13 V14 L18 S19 D20 | S13-G16 WeakPolarHBondContact O-CA 3.46Å; S13-G16 PolarHBondContact O-N 3.47Å; V14-G16 PolarHBondContact O-N 3.38Å; G16-L18 VanDerWaalsContact C-N 3.33Å; G16-L18 PolarHBondContact O-N 2.96Å; G16-S19 WeakPolarHBondContact O-CB 3.39Å; G16-S19 PolarHBondContact O-N 3.14Å; G16-D20 PolarHBondContact O-N 2.93Å |
| 17 | L | 89.4 | Confident | 84.8 | Confident | 57 Ų | 57 | 96.3 Ų | 96.3 | 30% | 0.298 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -60.6 | -41 | 175.9 | -65.3 | 176.1 | 0 | 0 | 0 | 112.7 | R9 Q12 S13 V14 K21 | R9-L17 HydrophobicContact CB-CD2 4.36Å; Q12-L17 HydrophobicContact CB-CD2 4.2Å; Q12-L17 HydrophobicContact CB-CG 4.3Å; Q12-L17 HydrophobicContact CG-CD2 4.14Å; Q12-L17 HydrophobicContact CG-CG 4.35Å; S13-L17 PolarHBondContact O-N 3.42Å; S13-L17 VanDerWaalsContact O-N 3.12Å; V14-L17 PolarHBondContact O-N 2.99Å; L17-K21 PolarHBondContact O-N 3.4Å; L17-K21 VanDerWaalsContact O-N 3.12Å |
| 18 | L | 91.9 | Very high | 86.8 | Confident | 103 Ų | 103 | 93.9 Ų | 93.9 | 54% | 0.539 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -66.1 | -43.3 | 175.4 | -73.9 | 170.8 | 0 | 0 | 0 | 111.5 | V14 K15 G16 D20 K21 V22 | V14-L18 HydrophobicContact CG1-CD1 4.02Å; V14-L18 HydrophobicContact CG1-CG 4.41Å; V14-L18 WeakPolarHBondContact O-CB 3.29Å; V14-L18 WeakPolarHBondContact O-CG 3.5Å; V14-L18 PolarHBondContact O-N 3.23Å; K15-L18 PolarHBondContact O-N 3.44Å; G16-L18 VanDerWaalsContact C-N 3.33Å; G16-L18 PolarHBondContact O-N 2.96Å; L18-D20 VanDerWaalsContact C-N 3.33Å; L18-D20 PolarHBondContact O-N 3.41Å; L18-K21 PolarHBondContact O-N 2.78Å; L18-V22 WeakPolarHBondContact O-CB 3.47Å; L18-V22 VanDerWaalsContact O-CG2 3.3Å; L18-V22 WeakPolarHBondContact O-CG2 3.5Å; L18-V22 PolarHBondContact O-N 3.21Å |
| 19 | S | 92.8 | Very high | 88.8 | Confident | 82 Ų | 82 | 92.5 Ų | 92.5 | 57% | 0.573 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -59.3 | -43.6 | 176.6 | -166.2 | 0 | 0 | 0 | 0 | 111.9 | K15 G16 V22 G23 | K15-S19 WeakPolarHBondContact O-CB 3.38Å; K15-S19 PolarHBondContact O-N 2.95Å; G16-S19 WeakPolarHBondContact O-CB 3.39Å; G16-S19 PolarHBondContact O-N 3.14Å; S19-V22 PolarHBondContact O-N 3.15Å; S19-G23 PolarHBondContact O-N 2.94Å |
| 20 | D | 93.1 | Very high | 90.3 | Very high | 74 Ų | 74 | 89.6 Ų | 89.6 | 40% | 0.396 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.1 | -47.2 | 176.5 | -72.1 | -5.7 | 0 | 0 | 0 | 111.4 | R9 G16 L18 G23 S24 | R9-D20 IonicContact CZ-OD2 3.71Å; R9-D20 IonicContact NH1-OD2 2.84Å; R9-D20 PolarHBondContact NH1-OD2 3.38Å; R9-D20 IonicContact NH2-OD2 3.65Å; G16-D20 PolarHBondContact O-N 2.93Å; L18-D20 VanDerWaalsContact C-N 3.33Å; L18-D20 PolarHBondContact O-N 3.41Å; D20-G23 PolarHBondContact O-N 3.05Å; D20-S24 PolarHBondContact O-N 3.45Å |
| 21 | K | 94.7 | Very high | 91.8 | Very high | 161 Ų | 161 | 81.9 Ų | 81.9 | 70% | 0.7 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.1 | -42.3 | 179.1 | -76.8 | -170.3 | 177.7 | -167.8 | 0 | 112.5 | L17 L18 G23 S24 C25 | L17-K21 PolarHBondContact O-N 3.4Å; L17-K21 VanDerWaalsContact O-N 3.12Å; L18-K21 PolarHBondContact O-N 2.78Å; K21-G23 VanDerWaalsContact C-N 3.33Å; K21-S24 PolarHBondContact O-N 3.39Å; K21-C25 VanDerWaalsContact O-CB 3.31Å; K21-C25 WeakPolarHBondContact O-CB 3.45Å; K21-C25 PolarHBondContact O-N 2.92Å |
| 22 | V | 96.2 | Very high | 93 | Very high | 101 Ų | 101 | 82.5 Ų | 82.5 | 61% | 0.612 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.4 | -42 | 175.8 | 170 | 0 | 0 | 0 | 0 | 110.4 | L18 S19 C25 S26 | L18-V22 WeakPolarHBondContact O-CB 3.47Å; L18-V22 VanDerWaalsContact O-CG2 3.3Å; L18-V22 WeakPolarHBondContact O-CG2 3.5Å; L18-V22 PolarHBondContact O-N 3.21Å; S19-V22 PolarHBondContact O-N 3.15Å; V22-C25 PolarHBondContact O-N 3.36Å; V22-S26 WeakPolarHBondContact O-CB 3.36Å; V22-S26 PolarHBondContact O-N 3.39Å |
| 23 | G | 96.1 | Very high | 93.7 | Very high | 45 Ų | 45 | 82.4 Ų | 82.4 | 46% | 0.464 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.6 | -48.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | S19 D20 K21 S26 G27 | S19-G23 PolarHBondContact O-N 2.94Å; D20-G23 PolarHBondContact O-N 3.05Å; K21-G23 VanDerWaalsContact C-N 3.33Å; G23-S26 PolarHBondContact O-N 3.01Å; G23-G27 PolarHBondContact O-N 3.44Å |
| 24 | S | 95.9 | Very high | 94 | Very high | 72 Ų | 72 | 85 Ų | 85 | 50% | 0.503 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.3 | -49.3 | 176.5 | -169.8 | 0 | 0 | 0 | 0 | 111.7 | D20 K21 S26 G27 D28 | D20-S24 PolarHBondContact O-N 3.45Å; K21-S24 PolarHBondContact O-N 3.39Å; S24-S26 VanDerWaalsContact C-N 3.33Å; S24-S26 PolarHBondContact O-N 3.29Å; S24-G27 WeakPolarHBondContact O-CA 3.49Å; S24-G27 PolarHBondContact O-N 2.92Å; S24-G27 VanDerWaalsContact O-N 3.08Å; S24-D28 PolarHBondContact O-N 3.46Å |
| 25 | C | 96.7 | Very high | 94.3 | Very high | 72 Ų | 72 | 85.3 Ų | 85.3 | 49% | 0.486 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -58.8 | -43.8 | 179.3 | 179.3 | 0 | 0 | 0 | 0 | 112 | K21 V22 G27 D28 V29 | K21-C25 VanDerWaalsContact O-CB 3.31Å; K21-C25 WeakPolarHBondContact O-CB 3.45Å; K21-C25 PolarHBondContact O-N 2.92Å; V22-C25 PolarHBondContact O-N 3.36Å; C25-G27 VanDerWaalsContact C-N 3.31Å; C25-G27 PolarHBondContact O-N 3.34Å; C25-D28 PolarHBondContact O-N 3.01Å; C25-V29 WeakPolarHBondContact O-CG2 3.44Å; C25-V29 PolarHBondContact O-N 3.27Å |
| 26 | S | 97.1 | Very high | 94.4 | Very high | 67 Ų | 67 | 82.3 Ų | 82.3 | 47% | 0.469 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -58.9 | -43.9 | 174.9 | -175.4 | 0 | 0 | 0 | 0 | 111.5 | V22 G23 S24 D28 V29 I30 | V22-S26 WeakPolarHBondContact O-CB 3.36Å; V22-S26 PolarHBondContact O-N 3.39Å; G23-S26 PolarHBondContact O-N 3.01Å; S24-S26 VanDerWaalsContact C-N 3.33Å; S24-S26 PolarHBondContact O-N 3.29Å; S26-D28 PolarHBondContact O-N 3.19Å; S26-V29 PolarHBondContact O-N 3.01Å; S26-I30 WeakPolarHBondContact O-CD1 3.49Å; S26-I30 WeakPolarHBondContact O-CG1 3.29Å; S26-I30 PolarHBondContact O-N 2.97Å |
| 27 | G | 97.1 | Very high | 94.5 | Very high | 35 Ų | 35 | 87.7 Ų | 87.7 | 36% | 0.361 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.1 | -46 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | G23 S24 C25 I30 A31 | G23-G27 PolarHBondContact O-N 3.44Å; S24-G27 WeakPolarHBondContact O-CA 3.49Å; S24-G27 PolarHBondContact O-N 2.92Å; S24-G27 VanDerWaalsContact O-N 3.08Å; C25-G27 VanDerWaalsContact C-N 3.31Å; C25-G27 PolarHBondContact O-N 3.34Å; G27-I30 PolarHBondContact O-N 3.22Å; G27-A31 PolarHBondContact O-N 3.01Å |
| 28 | D | 96.9 | Very high | 94.5 | Very high | 102 Ų | 102 | 93.6 Ų | 93.6 | 55% | 0.545 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.2 | -43.2 | 179.7 | -65.1 | -30.7 | 0 | 0 | 0 | 111.7 | S24 C25 S26 I30 A31 L32 | S24-D28 PolarHBondContact O-N 3.46Å; C25-D28 PolarHBondContact O-N 3.01Å; S26-D28 PolarHBondContact O-N 3.19Å; D28-I30 VanDerWaalsContact C-N 3.34Å; D28-I30 PolarHBondContact O-N 3.5Å; D28-A31 PolarHBondContact O-N 3.34Å; D28-L32 WeakPolarHBondContact O-CB 3.26Å; D28-L32 PolarHBondContact O-N 3.47Å |
| 29 | V | 97.4 | Very high | 94.4 | Very high | 79 Ų | 79 | 89.7 Ų | 89.7 | 48% | 0.479 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.5 | -40.8 | 176.6 | 170.2 | 0 | 0 | 0 | 0 | 111.3 | C25 S26 L32 T33 | C25-V29 WeakPolarHBondContact O-CG2 3.44Å; C25-V29 PolarHBondContact O-N 3.27Å; S26-V29 PolarHBondContact O-N 3.01Å; V29-L32 PolarHBondContact O-N 3.37Å; V29-T33 WeakPolarHBondContact O-CB 3.26Å; V29-T33 PolarHBondContact O-N 3.33Å; V29-T33 PolarHBondContact O-OG1 2.9Å |
| 30 | I | 96 | Very high | 94.4 | Very high | 82 Ų | 82 | 87.8 Ų | 87.8 | 42% | 0.421 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.3 | -42.1 | 176.3 | -65.2 | 166.1 | 0 | 0 | 0 | 110.4 | S26 G27 D28 T33 R34 | S26-I30 WeakPolarHBondContact O-CD1 3.49Å; S26-I30 WeakPolarHBondContact O-CG1 3.29Å; S26-I30 PolarHBondContact O-N 2.97Å; G27-I30 PolarHBondContact O-N 3.22Å; D28-I30 VanDerWaalsContact C-N 3.34Å; D28-I30 PolarHBondContact O-N 3.5Å; I30-T33 PolarHBondContact O-N 3.34Å; I30-R34 PolarHBondContact O-N 3.07Å |
| 31 | A | 94.5 | Very high | 94.2 | Very high | 45 Ų | 45 | 93.7 Ų | 93.7 | 37% | 0.372 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.8 | -44.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | G27 D28 R34 Q35 | G27-A31 PolarHBondContact O-N 3.01Å; D28-A31 PolarHBondContact O-N 3.34Å; A31-R34 PolarHBondContact O-N 3.33Å; A31-Q35 PolarHBondContact O-N 2.94Å |
| 32 | L | 94.8 | Very high | 94.1 | Very high | 100 Ų | 100 | 89.4 Ų | 89.4 | 52% | 0.524 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60 | -47.1 | 174.9 | 178.6 | 61.7 | 0 | 0 | 0 | 111.6 | D28 V29 R34 Q35 V36 | D28-L32 WeakPolarHBondContact O-CB 3.26Å; D28-L32 PolarHBondContact O-N 3.47Å; V29-L32 PolarHBondContact O-N 3.37Å; L32-R34 VanDerWaalsContact C-N 3.26Å; L32-R34 PolarHBondContact O-N 2.86Å; L32-Q35 WeakPolarHBondContact O-CB 3.44Å; L32-Q35 PolarHBondContact O-N 3.39Å; L32-V36 HydrophobicContact CD1-CG2 4.38Å; L32-V36 WeakPolarHBondContact O-CG2 3.43Å; L32-V36 PolarHBondContact O-N 2.95Å |
| 33 | T | 95.1 | Very high | 93.9 | Very high | 71 Ų | 71 | 90.6 Ų | 90.6 | 44% | 0.436 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -57.1 | -41.9 | 177.9 | -57.6 | 0 | 0 | 0 | 0 | 110.9 | V29 I30 V36 L37 | V29-T33 WeakPolarHBondContact O-CB 3.26Å; V29-T33 PolarHBondContact O-N 3.33Å; V29-T33 PolarHBondContact O-OG1 2.9Å; I30-T33 PolarHBondContact O-N 3.34Å; T33-V36 PolarHBondContact O-N 3.46Å; T33-L37 HydrophobicContact CG2-CD1 4.15Å; T33-L37 WeakPolarHBondContact O-CG 3.41Å; T33-L37 PolarHBondContact O-N 3.28Å |
| 34 | R | 93.3 | Very high | 93.8 | Very high | 134 Ų | 134 | 95.1 Ų | 95.1 | 51% | 0.506 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.9 | -39.7 | 174.7 | -74.6 | -172.2 | -69.6 | -105.4 | -3.6 | 112.9 | I30 A31 L32 V36 L37 K38 | I30-R34 PolarHBondContact O-N 3.07Å; A31-R34 PolarHBondContact O-N 3.33Å; L32-R34 VanDerWaalsContact C-N 3.26Å; L32-R34 PolarHBondContact O-N 2.86Å; R34-V36 VanDerWaalsContact C-N 3.33Å; R34-L37 PolarHBondContact O-N 3.27Å; R34-K38 WeakPolarHBondContact O-CB 3.45Å; R34-K38 WeakPolarHBondContact O-CG 3.25Å; R34-K38 PolarHBondContact O-N 3.07Å |
| 35 | Q | 92.9 | Very high | 93.8 | Very high | 111 Ų | 111 | 96.8 Ų | 96.8 | 52% | 0.519 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.1 | -36.9 | 177.4 | -172.7 | 178.3 | 3.2 | 0 | 0 | 111.7 | A31 L32 G39 | A31-Q35 PolarHBondContact O-N 2.94Å; L32-Q35 WeakPolarHBondContact O-CB 3.44Å; L32-Q35 PolarHBondContact O-N 3.39Å; Q35-G39 CarbonylContact O-C 3.14Å; Q35-G39 WeakPolarHBondContact O-CA 3.49Å; Q35-G39 PolarHBondContact O-N 2.67Å |
| 36 | V | 91.4 | Very high | 93.8 | Very high | 108 Ų | 108 | 99 Ų | 99 | 66% | 0.655 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65.9 | -46.6 | 173.8 | 172.4 | 0 | 0 | 0 | 0 | 110.7 | L32 T33 R34 G39 | L32-V36 HydrophobicContact CD1-CG2 4.38Å; L32-V36 WeakPolarHBondContact O-CG2 3.43Å; L32-V36 PolarHBondContact O-N 2.95Å; T33-V36 PolarHBondContact O-N 3.46Å; R34-V36 VanDerWaalsContact C-N 3.33Å; V36-G39 PolarHBondContact O-N 3.05Å |
| 37 | L | 90.5 | Very high | 93.7 | Very high | 140 Ų | 140 | 97 Ų | 97 | 73% | 0.733 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -68.4 | -42.4 | -178.3 | -71.2 | 173.4 | 0 | 0 | 0 | 113.6 | T33 R34 G39 | T33-L37 HydrophobicContact CG2-CD1 4.15Å; T33-L37 WeakPolarHBondContact O-CG 3.41Å; T33-L37 PolarHBondContact O-N 3.28Å; R34-L37 PolarHBondContact O-N 3.27Å; L37-G39 VanDerWaalsContact C-N 3.28Å |
| 38 | K | 90.9 | Very high | 93.7 | Very high | 182 Ų | 182 | 99.3 Ų | 99.3 | 79% | 0.791 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -81 | -12.2 | -180 | -67.4 | -175.3 | 177 | -173.9 | 0 | 112.9 | R34 | R34-K38 WeakPolarHBondContact O-CB 3.45Å; R34-K38 WeakPolarHBondContact O-CG 3.25Å; R34-K38 PolarHBondContact O-N 3.07Å |
| 39 | G | 89.8 | Confident | 93.7 | Very high | 20 Ų | 20 | 96.5 Ų | 96.5 | 21% | 0.206 | 51% | 0.505 | C | S | . | . | trans | 81.1 | 157.7 | -168.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q35 V36 L37 | Q35-G39 CarbonylContact O-C 3.14Å; Q35-G39 WeakPolarHBondContact O-CA 3.49Å; Q35-G39 PolarHBondContact O-N 2.67Å; V36-G39 PolarHBondContact O-N 3.05Å; L37-G39 VanDerWaalsContact C-N 3.28Å | ||
| 40 | S | 91.3 | Very high | 93.6 | Very high | 43 Ų | 43 | 95.3 Ų | 95.3 | 30% | 0.301 | 50% | 0.504 | S | S | . | . | trans | -86.7 | 156.1 | 177.1 | 74.1 | 0 | 0 | 0 | 0 | 111.1 | S42 Q43 E44 | S40-S42 PolarHBondContact O-N 3.06Å; S40-S42 VanDerWaalsContact O-N 3.14Å; S40-S42 WeakPolarHBondContact OG-CB 3.41Å; S40-S42 PolarHBondContact OG-N 3.29Å; S40-Q43 WeakPolarHBondContact O-CB 3.37Å; S40-Q43 PolarHBondContact O-N 3.26Å; S40-Q43 PolarHBondContact OG-N 3.18Å; S40-E44 PolarHBondContact O-N 3.09Å | ||
| 41 | R | 90.5 | Very high | 93.6 | Very high | 197 Ų | 197 | 97.6 Ų | 97.6 | 74% | 0.743 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -54.6 | -30.7 | 168.5 | -175 | 169 | 179.3 | 174.1 | -0.9 | 112.6 | Q43 E44 L45 | R41-Q43 VanDerWaalsContact C-N 3.35Å; R41-E44 PolarHBondContact O-N 3.34Å; R41-L45 HydrophobicContact CG-CD1 4.43Å; R41-L45 WeakPolarHBondContact O-CG 3.39Å; R41-L45 PolarHBondContact O-N 3.32Å; R41-L45 VanDerWaalsContact O-N 3.09Å |
| 42 | S | 92.4 | Very high | 93.7 | Very high | 72 Ų | 72 | 99.3 Ų | 99.3 | 50% | 0.503 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.1 | -40.1 | 175.5 | -171.4 | 0 | 0 | 0 | 0 | 111.8 | S40 E44 L45 L46 | S40-S42 PolarHBondContact O-N 3.06Å; S40-S42 VanDerWaalsContact O-N 3.14Å; S40-S42 WeakPolarHBondContact OG-CB 3.41Å; S40-S42 PolarHBondContact OG-N 3.29Å; S42-E44 VanDerWaalsContact C-N 3.32Å; S42-E44 PolarHBondContact O-N 3.28Å; S42-L45 PolarHBondContact O-N 3.06Å; S42-L46 WeakPolarHBondContact O-CB 3.49Å; S42-L46 VanDerWaalsContact O-CG 3.29Å; S42-L46 WeakPolarHBondContact O-CG 3.46Å; S42-L46 PolarHBondContact O-N 2.86Å |
| 43 | Q | 92.1 | Very high | 93.8 | Very high | 126 Ų | 126 | 100.9 Ų | 100.9 | 59% | 0.589 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.6 | -39.6 | 176.5 | -178 | -176.5 | -20.3 | 0 | 0 | 112 | S40 R41 G47 | S40-Q43 WeakPolarHBondContact O-CB 3.37Å; S40-Q43 PolarHBondContact O-N 3.26Å; S40-Q43 PolarHBondContact OG-N 3.18Å; R41-Q43 VanDerWaalsContact C-N 3.35Å; Q43-G47 PolarHBondContact O-N 3.43Å |
| 44 | E | 92.8 | Very high | 93.8 | Very high | 139 Ų | 139 | 102.1 Ų | 102.1 | 65% | 0.65 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.9 | -46.7 | 175.4 | -175.1 | -176.2 | -178 | 0 | 0 | 111.6 | S40 R41 S42 L46 G47 Q48 | S40-E44 PolarHBondContact O-N 3.09Å; R41-E44 PolarHBondContact O-N 3.34Å; S42-E44 VanDerWaalsContact C-N 3.32Å; S42-E44 PolarHBondContact O-N 3.28Å; E44-L46 PolarHBondContact O-N 3.47Å; E44-G47 PolarHBondContact O-N 3.45Å; E44-Q48 PolarHBondContact O-N 3.4Å |
| 45 | L | 95.8 | Very high | 93.8 | Very high | 108 Ų | 108 | 101.9 Ų | 101.9 | 57% | 0.565 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61.5 | -43.6 | 177.3 | -69.3 | 172.6 | 0 | 0 | 0 | 111.8 | R41 S42 G47 Q48 A49 | R41-L45 HydrophobicContact CG-CD1 4.43Å; R41-L45 WeakPolarHBondContact O-CG 3.39Å; R41-L45 PolarHBondContact O-N 3.32Å; R41-L45 VanDerWaalsContact O-N 3.09Å; S42-L45 PolarHBondContact O-N 3.06Å; L45-G47 VanDerWaalsContact C-N 3.35Å; L45-Q48 PolarHBondContact O-N 3.16Å; L45-A49 WeakPolarHBondContact O-CB 3.45Å; L45-A49 PolarHBondContact O-N 3.22Å |
| 46 | L | 96.3 | Very high | 93.9 | Very high | 117 Ų | 117 | 102.1 Ų | 102.1 | 61% | 0.613 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62.8 | -42 | 175.1 | -73 | 172.2 | 0 | 0 | 0 | 111.4 | S42 E44 Q48 A49 A50 | S42-L46 WeakPolarHBondContact O-CB 3.49Å; S42-L46 VanDerWaalsContact O-CG 3.29Å; S42-L46 WeakPolarHBondContact O-CG 3.46Å; S42-L46 PolarHBondContact O-N 2.86Å; E44-L46 PolarHBondContact O-N 3.47Å; L46-Q48 VanDerWaalsContact C-N 3.33Å; L46-Q48 PolarHBondContact O-N 2.88Å; L46-A49 PolarHBondContact O-N 3.03Å; L46-A50 WeakPolarHBondContact O-CB 3.36Å; L46-A50 PolarHBondContact O-N 3.31Å |
| 47 | G | 95.5 | Very high | 94.2 | Very high | 26 Ų | 26 | 102.7 Ų | 102.7 | 27% | 0.268 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.9 | -40.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q43 E44 L45 R51 | Q43-G47 PolarHBondContact O-N 3.43Å; E44-G47 PolarHBondContact O-N 3.45Å; L45-G47 VanDerWaalsContact C-N 3.35Å; G47-R51 WeakPolarHBondContact O-CG 3.45Å; G47-R51 PolarHBondContact O-N 3.2Å; G47-R51 VanDerWaalsContact O-N 3.16Å; G47-R51 PolarHBondContact O-NH1 2.96Å |
| 48 | Q | 96.8 | Very high | 94.3 | Very high | 83 Ų | 83 | 100.6 Ų | 100.6 | 39% | 0.388 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68 | -42.2 | 174.3 | -173 | 61.3 | 40.3 | 0 | 0 | 111.9 | E44 L45 L46 A50 R51 N52 | E44-Q48 PolarHBondContact O-N 3.4Å; L45-Q48 PolarHBondContact O-N 3.16Å; L46-Q48 VanDerWaalsContact C-N 3.33Å; L46-Q48 PolarHBondContact O-N 2.88Å; Q48-A50 VanDerWaalsContact C-N 3.34Å; Q48-A50 PolarHBondContact O-N 3.5Å; Q48-R51 PolarHBondContact O-N 3.12Å; Q48-N52 PolarHBondContact NE2-OD1 3.3Å; Q48-N52 VanDerWaalsContact O-CG 3.26Å; Q48-N52 PolarHBondContact O-N 3.16Å; Q48-N52 PolarHBondContact O-OD1 3.43Å |
| 49 | A | 96.9 | Very high | 94.5 | Very high | 43 Ų | 43 | 94.4 Ų | 94.4 | 36% | 0.355 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.1 | -44.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | L45 L46 R51 N52 M53 | L45-A49 WeakPolarHBondContact O-CB 3.45Å; L45-A49 PolarHBondContact O-N 3.22Å; L46-A49 PolarHBondContact O-N 3.03Å; A49-R51 PolarHBondContact O-N 2.96Å; A49-N52 PolarHBondContact O-N 2.95Å; A49-M53 WeakPolarHBondContact O-CG 3.46Å; A49-M53 PolarHBondContact O-N 2.92Å |
| 50 | A | 96.7 | Very high | 94.9 | Very high | 55 Ų | 55 | 98.1 Ų | 98.1 | 46% | 0.455 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.2 | -46.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | L46 Q48 N52 M53 V54 | L46-A50 WeakPolarHBondContact O-CB 3.36Å; L46-A50 PolarHBondContact O-N 3.31Å; Q48-A50 VanDerWaalsContact C-N 3.34Å; Q48-A50 PolarHBondContact O-N 3.5Å; A50-N52 PolarHBondContact O-N 3.23Å; A50-M53 PolarHBondContact O-N 2.74Å; A50-V54 WeakPolarHBondContact O-CG2 3.36Å; A50-V54 PolarHBondContact O-N 3.49Å; A50-V54 VanDerWaalsContact O-N 3.09Å |
| 51 | R | 96.4 | Very high | 95.1 | Very high | 129 Ų | 129 | 100.8 Ų | 100.8 | 49% | 0.487 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60 | -45 | 175.3 | -73.8 | -172.5 | -66.5 | -88.9 | 6.1 | 112.2 | G47 Q48 A49 M53 V54 I55 | G47-R51 WeakPolarHBondContact O-CG 3.45Å; G47-R51 PolarHBondContact O-N 3.2Å; G47-R51 VanDerWaalsContact O-N 3.16Å; G47-R51 PolarHBondContact O-NH1 2.96Å; Q48-R51 PolarHBondContact O-N 3.12Å; A49-R51 PolarHBondContact O-N 2.96Å; R51-M53 VanDerWaalsContact C-N 3.33Å; R51-M53 PolarHBondContact O-N 3.48Å; R51-V54 PolarHBondContact O-N 3.11Å; R51-I55 WeakPolarHBondContact O-CG1 3.39Å; R51-I55 PolarHBondContact O-N 3.26Å; R51-I55 VanDerWaalsContact O-N 3.11Å |
| 52 | N | 96.6 | Very high | 95.4 | Very high | 81 Ų | 81 | 96.6 Ų | 96.6 | 43% | 0.433 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.1 | -42.1 | 178.6 | -70.6 | -2.5 | 0 | 0 | 0 | 111.4 | Q48 A49 A50 I55 Q56 | Q48-N52 PolarHBondContact NE2-OD1 3.3Å; Q48-N52 VanDerWaalsContact O-CG 3.26Å; Q48-N52 PolarHBondContact O-N 3.16Å; Q48-N52 PolarHBondContact O-OD1 3.43Å; A49-N52 PolarHBondContact O-N 2.95Å; A50-N52 PolarHBondContact O-N 3.23Å; N52-I55 PolarHBondContact O-N 2.85Å; N52-Q56 VanDerWaalsContact O-CB 3.31Å; N52-Q56 WeakPolarHBondContact O-CB 3.36Å; N52-Q56 PolarHBondContact O-N 3.48Å |
| 53 | M | 95.9 | Very high | 95.7 | Very high | 134 Ų | 134 | 96.5 Ų | 96.5 | 66% | 0.66 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.7 | -41.6 | 178.9 | -74.7 | -177.4 | 66.8 | 0 | 0 | 112.4 | A49 A50 R51 Q56 E57 | A49-M53 WeakPolarHBondContact O-CG 3.46Å; A49-M53 PolarHBondContact O-N 2.92Å; A50-M53 PolarHBondContact O-N 2.74Å; R51-M53 VanDerWaalsContact C-N 3.33Å; R51-M53 PolarHBondContact O-N 3.48Å; M53-Q56 PolarHBondContact O-N 2.92Å; M53-E57 PolarHBondContact O-N 3.29Å |
| 54 | V | 94.3 | Very high | 95.9 | Very high | 96 Ų | 96 | 95 Ų | 95 | 58% | 0.582 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.6 | -44.5 | 176.4 | 172.7 | 0 | 0 | 0 | 0 | 111.1 | A50 R51 Q56 E57 | A50-V54 WeakPolarHBondContact O-CG2 3.36Å; A50-V54 PolarHBondContact O-N 3.49Å; A50-V54 VanDerWaalsContact O-N 3.09Å; R51-V54 PolarHBondContact O-N 3.11Å; V54-Q56 PolarHBondContact O-N 2.94Å; V54-E57 WeakPolarHBondContact O-CB 3.33Å; V54-E57 PolarHBondContact O-N 3.49Å |
| 55 | I | 93.3 | Very high | 96.2 | Very high | 129 Ų | 129 | 91.2 Ų | 91.2 | 66% | 0.662 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63.2 | -36 | 176.5 | -66.9 | 167 | 0 | 0 | 0 | 110.8 | R51 N52 E57 | R51-I55 WeakPolarHBondContact O-CG1 3.39Å; R51-I55 PolarHBondContact O-N 3.26Å; R51-I55 VanDerWaalsContact O-N 3.11Å; N52-I55 PolarHBondContact O-N 2.85Å; I55-E57 VanDerWaalsContact C-N 3.32Å; I55-E57 PolarHBondContact O-N 3.26Å |
| 56 | Q | 96.8 | Very high | 96.3 | Very high | 117 Ų | 117 | 89 Ų | 89 | 55% | 0.547 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -71.7 | -26 | -179.9 | -168.5 | 171.7 | 2.1 | 0 | 0 | 113 | N52 M53 V54 D58 A59 I60 | N52-Q56 VanDerWaalsContact O-CB 3.31Å; N52-Q56 WeakPolarHBondContact O-CB 3.36Å; N52-Q56 PolarHBondContact O-N 3.48Å; M53-Q56 PolarHBondContact O-N 2.92Å; V54-Q56 PolarHBondContact O-N 2.94Å; Q56-D58 PolarHBondContact O-N 3.4Å; Q56-A59 PolarHBondContact O-N 3.26Å; Q56-I60 HydrophobicContact CG-CD1 4.13Å; Q56-I60 HydrophobicContact CG-CG1 4.39Å; Q56-I60 WeakPolarHBondContact O-CG1 3.33Å; Q56-I60 PolarHBondContact O-N 2.98Å |
| 57 | E | 96.1 | Very high | 96.4 | Very high | 120 Ų | 120 | 88.8 Ų | 88.8 | 56% | 0.561 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -57.5 | -45.5 | 178.6 | -173.3 | 172.5 | -156.3 | 0 | 0 | 112.1 | M53 V54 I55 A59 I60 L61 | M53-E57 PolarHBondContact O-N 3.29Å; V54-E57 WeakPolarHBondContact O-CB 3.33Å; V54-E57 PolarHBondContact O-N 3.49Å; I55-E57 VanDerWaalsContact C-N 3.32Å; I55-E57 PolarHBondContact O-N 3.26Å; E57-A59 PolarHBondContact O-N 3.35Å; E57-I60 WeakPolarHBondContact O-CB 3.4Å; E57-I60 PolarHBondContact O-N 3.43Å; E57-I60 VanDerWaalsContact O-N 3.16Å; E57-L61 WeakPolarHBondContact O-CG 3.31Å; E57-L61 PolarHBondContact O-N 3.43Å |
| 58 | D | 92.6 | Very high | 96.5 | Very high | 95 Ų | 95 | 93.6 Ų | 93.6 | 51% | 0.508 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.6 | -43.3 | 178.7 | -174.5 | 67.4 | 0 | 0 | 0 | 112.2 | Q56 I60 L61 H62 | Q56-D58 PolarHBondContact O-N 3.4Å; D58-I60 VanDerWaalsContact C-N 3.28Å; D58-I60 PolarHBondContact O-N 3.29Å; D58-L61 PolarHBondContact O-N 3.3Å; D58-H62 PolarHBondContact O-CD2 2.99Å; D58-H62 VanDerWaalsContact O-CD2 3.29Å; D58-H62 PolarHBondContact O-N 3.47Å; D58-H62 IonicContact OD1-CD2 3.73Å; D58-H62 IonicContact OD1-NE2 2.74Å; D58-H62 IonicContact OD2-CD2 3.71Å; D58-H62 PolarHBondContact OD2-CD2 3.37Å; D58-H62 IonicContact OD2-NE2 3.97Å |
| 59 | A | 95.8 | Very high | 96.6 | Very high | 52 Ų | 52 | 95.2 Ų | 95.2 | 43% | 0.43 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63 | -34.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q56 E57 S63 | Q56-A59 PolarHBondContact O-N 3.26Å; E57-A59 PolarHBondContact O-N 3.35Å; A59-S63 WeakPolarHBondContact O-CB 3.46Å; A59-S63 PolarHBondContact O-N 2.92Å; A59-S63 PolarHBondContact O-OG 3.11Å |
| 60 | I | 97.1 | Very high | 96.7 | Very high | 99 Ų | 99 | 98.5 Ų | 98.5 | 51% | 0.508 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.7 | -48 | 175.4 | -69.2 | 167.3 | 0 | 0 | 0 | 110.2 | Q56 E57 D58 H62 S63 E64 | Q56-I60 HydrophobicContact CG-CD1 4.13Å; Q56-I60 HydrophobicContact CG-CG1 4.39Å; Q56-I60 WeakPolarHBondContact O-CG1 3.33Å; Q56-I60 PolarHBondContact O-N 2.98Å; E57-I60 WeakPolarHBondContact O-CB 3.4Å; E57-I60 PolarHBondContact O-N 3.43Å; E57-I60 VanDerWaalsContact O-N 3.16Å; D58-I60 VanDerWaalsContact C-N 3.28Å; D58-I60 PolarHBondContact O-N 3.29Å; I60-H62 VanDerWaalsContact C-N 3.34Å; I60-H62 PolarHBondContact O-N 3.16Å; I60-S63 WeakPolarHBondContact O-CB 3.46Å; I60-S63 PolarHBondContact O-N 3.23Å; I60-S63 VanDerWaalsContact O-N 3.15Å; I60-E64 PolarHBondContact O-N 3.37Å |
| 61 | L | 96.4 | Very high | 96.8 | Very high | 98 Ų | 98 | 99.5 Ų | 99.5 | 51% | 0.513 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.3 | -43.4 | 178.9 | -68.5 | 172.6 | 0 | 0 | 0 | 111.8 | E57 D58 S63 E64 D65 | E57-L61 WeakPolarHBondContact O-CG 3.31Å; E57-L61 PolarHBondContact O-N 3.43Å; D58-L61 PolarHBondContact O-N 3.3Å; L61-S63 VanDerWaalsContact C-N 3.35Å; L61-S63 PolarHBondContact O-N 3.02Å; L61-E64 WeakPolarHBondContact O-CB 3.39Å; L61-E64 PolarHBondContact O-N 3.27Å; L61-D65 PolarHBondContact O-N 3.24Å; L61-D65 VanDerWaalsContact O-N 3.16Å |
| 62 | H | 97 | Very high | 96.9 | Very high | 110 Ų | 110 | 97.8 Ų | 97.8 | 51% | 0.509 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.6 | -37.2 | 174.9 | -82 | -59.2 | 0 | 0 | 0 | 113.4 | D58 I60 E64 D65 S66 | D58-H62 PolarHBondContact O-CD2 2.99Å; D58-H62 VanDerWaalsContact O-CD2 3.29Å; D58-H62 PolarHBondContact O-N 3.47Å; D58-H62 IonicContact OD1-CD2 3.73Å; D58-H62 IonicContact OD1-NE2 2.74Å; D58-H62 IonicContact OD2-CD2 3.71Å; D58-H62 PolarHBondContact OD2-CD2 3.37Å; D58-H62 IonicContact OD2-NE2 3.97Å; I60-H62 VanDerWaalsContact C-N 3.34Å; I60-H62 PolarHBondContact O-N 3.16Å; H62-E64 VanDerWaalsContact C-N 3.34Å; H62-D65 PolarHBondContact O-N 3.03Å; H62-S66 PolarHBondContact O-N 2.72Å; H62-S66 VanDerWaalsContact O-N 3.11Å; H62-S66 PolarHBondContact O-OG 3.15Å |
| 63 | S | 97.9 | Very high | 97 | Very high | 69 Ų | 69 | 98.6 Ų | 98.6 | 48% | 0.483 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.8 | -39 | 175.4 | -61.5 | 0 | 0 | 0 | 0 | 111.3 | A59 I60 L61 S66 L67 | A59-S63 WeakPolarHBondContact O-CB 3.46Å; A59-S63 PolarHBondContact O-N 2.92Å; A59-S63 PolarHBondContact O-OG 3.11Å; I60-S63 WeakPolarHBondContact O-CB 3.46Å; I60-S63 PolarHBondContact O-N 3.23Å; I60-S63 VanDerWaalsContact O-N 3.15Å; L61-S63 VanDerWaalsContact C-N 3.35Å; L61-S63 PolarHBondContact O-N 3.02Å; S63-S66 WeakPolarHBondContact O-CB 3.42Å; S63-S66 PolarHBondContact O-N 3.47Å; S63-L67 WeakPolarHBondContact O-CG 3.33Å; S63-L67 PolarHBondContact O-N 3.4Å |
| 64 | E | 97.9 | Very high | 97.1 | Very high | 95 Ų | 95 | 96.1 Ų | 96.1 | 44% | 0.444 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.6 | -45.7 | 176.1 | -166.6 | -160.3 | 140.5 | 0 | 0 | 112 | I60 L61 H62 S66 L67 R68 | I60-E64 PolarHBondContact O-N 3.37Å; L61-E64 WeakPolarHBondContact O-CB 3.39Å; L61-E64 PolarHBondContact O-N 3.27Å; H62-E64 VanDerWaalsContact C-N 3.34Å; E64-S66 VanDerWaalsContact C-N 3.31Å; E64-S66 PolarHBondContact O-N 3.5Å; E64-L67 PolarHBondContact O-N 3.05Å; E64-R68 PolarHBondContact O-N 3.09Å; E64-R68 IonicContact OE1-CZ 2.67Å; E64-R68 IonicContact OE1-NH1 3.92Å; E64-R68 IonicContact OE1-NH2 3.76Å; E64-R68 PolarHBondContact OE1-NH2 3.4Å |
| 65 | D | 97.8 | Very high | 97.3 | Very high | 59 Ų | 59 | 94.8 Ų | 94.8 | 32% | 0.316 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.3 | -41 | 175.8 | -177.4 | 58.2 | 0 | 0 | 0 | 112.1 | L61 H62 L67 R68 K69 | L61-D65 PolarHBondContact O-N 3.24Å; L61-D65 VanDerWaalsContact O-N 3.16Å; H62-D65 PolarHBondContact O-N 3.03Å; D65-L67 PolarHBondContact O-N 3.27Å; D65-R68 WeakPolarHBondContact O-CB 3.32Å; D65-R68 PolarHBondContact O-N 3.31Å; D65-R68 IonicContact OD1-NH1 3.74Å; D65-K69 PolarHBondContact O-N 2.82Å; D65-K69 VanDerWaalsContact OD2-CE 3.25Å; D65-K69 WeakPolarHBondContact OD2-CE 3.29Å; D65-K69 IonicContact OD2-NZ 3.4Å; D65-K69 PolarHBondContact OD2-NZ 2.91Å |
| 66 | S | 98.2 | Very high | 97.6 | Very high | 62 Ų | 62 | 93.7 Ų | 93.7 | 43% | 0.434 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.2 | -42.6 | 175.6 | -59 | 0 | 0 | 0 | 0 | 111.7 | H62 S63 E64 R68 K69 M70 | H62-S66 PolarHBondContact O-N 2.72Å; H62-S66 VanDerWaalsContact O-N 3.11Å; H62-S66 PolarHBondContact O-OG 3.15Å; S63-S66 WeakPolarHBondContact O-CB 3.42Å; S63-S66 PolarHBondContact O-N 3.47Å; E64-S66 VanDerWaalsContact C-N 3.31Å; E64-S66 PolarHBondContact O-N 3.5Å; S66-R68 PolarHBondContact O-N 3.47Å; S66-K69 PolarHBondContact O-N 3.36Å; S66-M70 WeakPolarHBondContact O-CG 3.33Å; S66-M70 PolarHBondContact O-N 3.48Å |
| 67 | L | 98.4 | Very high | 97.7 | Very high | 112 Ų | 112 | 92.8 Ų | 92.8 | 59% | 0.586 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64 | -38.4 | 175.6 | -73.6 | 172.8 | 0 | 0 | 0 | 112.3 | S63 E64 D65 M70 S71 | S63-L67 WeakPolarHBondContact O-CG 3.33Å; S63-L67 PolarHBondContact O-N 3.4Å; E64-L67 PolarHBondContact O-N 3.05Å; D65-L67 PolarHBondContact O-N 3.27Å; L67-M70 HydrophobicContact CD2-SD 4.4Å; L67-M70 PolarHBondContact O-N 3.16Å; L67-S71 PolarHBondContact O-N 3.46Å |
| 68 | R | 98.4 | Very high | 97.8 | Very high | 128 Ų | 128 | 92.2 Ų | 92.2 | 48% | 0.483 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.2 | -45.4 | 175.1 | -174.2 | -178.3 | -69.6 | 101.2 | 5.1 | 111.4 | E64 D65 S66 S71 I72 | E64-R68 PolarHBondContact O-N 3.09Å; E64-R68 IonicContact OE1-CZ 2.67Å; E64-R68 IonicContact OE1-NH1 3.92Å; E64-R68 IonicContact OE1-NH2 3.76Å; E64-R68 PolarHBondContact OE1-NH2 3.4Å; D65-R68 WeakPolarHBondContact O-CB 3.32Å; D65-R68 PolarHBondContact O-N 3.31Å; D65-R68 IonicContact OD1-NH1 3.74Å; S66-R68 PolarHBondContact O-N 3.47Å; R68-S71 PolarHBondContact O-N 2.89Å; R68-I72 PolarHBondContact O-N 2.88Å |
| 69 | K | 98.4 | Very high | 98.1 | Very high | 117 Ų | 117 | 95.2 Ų | 95.2 | 51% | 0.509 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61 | -43.6 | 174.3 | -71.1 | 166 | 177.1 | 159.5 | 0 | 111.6 | D65 S66 S71 I72 I73 | D65-K69 PolarHBondContact O-N 2.82Å; D65-K69 VanDerWaalsContact OD2-CE 3.25Å; D65-K69 WeakPolarHBondContact OD2-CE 3.29Å; D65-K69 IonicContact OD2-NZ 3.4Å; D65-K69 PolarHBondContact OD2-NZ 2.91Å; S66-K69 PolarHBondContact O-N 3.36Å; K69-S71 VanDerWaalsContact C-N 3.35Å; K69-S71 PolarHBondContact O-N 2.91Å; K69-I72 PolarHBondContact O-N 3.29Å; K69-I73 WeakPolarHBondContact O-CG1 3.35Å; K69-I73 PolarHBondContact O-N 3.47Å; K69-I73 VanDerWaalsContact O-N 3.09Å |
| 70 | M | 98.6 | Very high | 98.2 | Very high | 111 Ų | 111 | 98.1 Ų | 98.1 | 55% | 0.547 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.8 | -41 | 176.1 | -73.2 | 176.9 | 65.3 | 0 | 0 | 112.2 | S66 L67 I72 I73 T74 | S66-M70 WeakPolarHBondContact O-CG 3.33Å; S66-M70 PolarHBondContact O-N 3.48Å; L67-M70 HydrophobicContact CD2-SD 4.4Å; L67-M70 PolarHBondContact O-N 3.16Å; M70-I72 VanDerWaalsContact C-N 3.28Å; M70-I72 PolarHBondContact O-N 2.89Å; M70-I73 PolarHBondContact O-N 3.06Å; M70-T74 PolarHBondContact O-N 3.22Å; M70-T74 PolarHBondContact O-OG1 3.28Å; M70-T74 VanDerWaalsContact O-OG1 3.06Å |
| 71 | S | 98.5 | Very high | 98.3 | Very high | 76 Ų | 76 | 100 Ų | 100 | 53% | 0.531 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.2 | -40.4 | 177.5 | -174 | 0 | 0 | 0 | 0 | 111.9 | L67 R68 K69 T74 T75 | L67-S71 PolarHBondContact O-N 3.46Å; R68-S71 PolarHBondContact O-N 2.89Å; K69-S71 VanDerWaalsContact C-N 3.35Å; K69-S71 PolarHBondContact O-N 2.91Å; S71-T74 PolarHBondContact O-N 2.98Å; S71-T75 PolarHBondContact O-N 2.84Å; S71-T75 VanDerWaalsContact O-N 3.12Å; S71-T75 PolarHBondContact O-OG1 3.46Å |
| 72 | I | 98.4 | Very high | 98.4 | Very high | 94 Ų | 94 | 100.5 Ų | 100.5 | 48% | 0.482 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.3 | -45.5 | 176.4 | -65.5 | 166.9 | 0 | 0 | 0 | 110.6 | R68 K69 M70 T74 T75 H76 | R68-I72 PolarHBondContact O-N 2.88Å; K69-I72 PolarHBondContact O-N 3.29Å; M70-I72 VanDerWaalsContact C-N 3.28Å; M70-I72 PolarHBondContact O-N 2.89Å; I72-T74 VanDerWaalsContact C-N 3.32Å; I72-T74 PolarHBondContact O-N 3.2Å; I72-T75 PolarHBondContact O-N 3.49Å; I72-H76 PolarHBondContact O-CD2 3.38Å; I72-H76 PolarHBondContact O-N 2.86Å |
| 73 | I | 98.6 | Very high | 98.4 | Very high | 98 Ų | 98 | 97.8 Ų | 97.8 | 50% | 0.503 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.1 | -45.3 | 177.1 | -68.2 | 167.6 | 0 | 0 | 0 | 110.6 | K69 M70 T75 H76 L77 | K69-I73 WeakPolarHBondContact O-CG1 3.35Å; K69-I73 PolarHBondContact O-N 3.47Å; K69-I73 VanDerWaalsContact O-N 3.09Å; M70-I73 PolarHBondContact O-N 3.06Å; I73-T75 VanDerWaalsContact C-N 3.32Å; I73-T75 PolarHBondContact O-N 3.36Å; I73-H76 PolarHBondContact O-N 3.35Å; I73-H76 VanDerWaalsContact O-N 3.16Å; I73-L77 HydrophobicContact CG2-CD1 3.93Å; I73-L77 HydrophobicContact CG2-CG 4.26Å; I73-L77 WeakPolarHBondContact O-CG 3.48Å; I73-L77 PolarHBondContact O-N 3.43Å |
| 74 | T | 98.7 | Very high | 98.5 | Very high | 82 Ų | 82 | 99.7 Ų | 99.7 | 50% | 0.503 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -57.1 | -45.4 | 176.9 | -61.9 | 0 | 0 | 0 | 0 | 111.5 | M70 S71 I72 H76 L77 Q78 | M70-T74 PolarHBondContact O-N 3.22Å; M70-T74 PolarHBondContact O-OG1 3.28Å; M70-T74 VanDerWaalsContact O-OG1 3.06Å; S71-T74 PolarHBondContact O-N 2.98Å; I72-T74 VanDerWaalsContact C-N 3.32Å; I72-T74 PolarHBondContact O-N 3.2Å; T74-H76 PolarHBondContact O-N 3.29Å; T74-L77 PolarHBondContact O-N 2.89Å; T74-Q78 PolarHBondContact O-N 3.14Å |
| 75 | T | 98.6 | Very high | 98.5 | Very high | 67 Ų | 67 | 100.9 Ų | 100.9 | 41% | 0.411 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60 | -45 | 175.9 | -61 | 0 | 0 | 0 | 0 | 111.8 | S71 I72 I73 L77 Q78 Y79 | S71-T75 PolarHBondContact O-N 2.84Å; S71-T75 VanDerWaalsContact O-N 3.12Å; S71-T75 PolarHBondContact O-OG1 3.46Å; I72-T75 PolarHBondContact O-N 3.49Å; I73-T75 VanDerWaalsContact C-N 3.32Å; I73-T75 PolarHBondContact O-N 3.36Å; T75-L77 PolarHBondContact O-N 3.02Å; T75-Q78 PolarHBondContact O-N 3.36Å; T75-Y79 HydrophobicContact CG2-CD2 3.79Å; T75-Y79 HydrophobicContact CG2-CE2 3.62Å; T75-Y79 VanDerWaalsContact O-CD2 3.26Å; T75-Y79 WeakPolarHBondContact O-CD2 3.45Å; T75-Y79 PolarHBondContact O-N 3.09Å |
| 76 | H | 98.8 | Very high | 98.5 | Very high | 106 Ų | 106 | 105.3 Ų | 105.3 | 49% | 0.491 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.8 | -41.4 | 177.2 | -76.4 | -64.8 | 0 | 0 | 0 | 112.9 | I72 I73 T74 Q78 Y79 Q80 | I72-H76 PolarHBondContact O-CD2 3.38Å; I72-H76 PolarHBondContact O-N 2.86Å; I73-H76 PolarHBondContact O-N 3.35Å; I73-H76 VanDerWaalsContact O-N 3.16Å; T74-H76 PolarHBondContact O-N 3.29Å; H76-Q78 VanDerWaalsContact C-N 3.28Å; H76-Q78 PolarHBondContact O-N 2.9Å; H76-Y79 PolarHBondContact O-N 3.4Å; H76-Q80 WeakPolarHBondContact O-CB 3.46Å; H76-Q80 VanDerWaalsContact O-CG 3.29Å; H76-Q80 WeakPolarHBondContact O-CG 3.44Å; H76-Q80 PolarHBondContact O-N 2.99Å |
| 77 | L | 98.8 | Very high | 98.5 | Very high | 99 Ų | 99 | 107.1 Ų | 107.1 | 52% | 0.518 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.8 | -39 | 176 | -72.2 | 174.4 | 0 | 0 | 0 | 111.3 | I73 T74 T75 Q80 Q81 | I73-L77 HydrophobicContact CG2-CD1 3.93Å; I73-L77 HydrophobicContact CG2-CG 4.26Å; I73-L77 WeakPolarHBondContact O-CG 3.48Å; I73-L77 PolarHBondContact O-N 3.43Å; T74-L77 PolarHBondContact O-N 2.89Å; T75-L77 PolarHBondContact O-N 3.02Å; L77-Q80 PolarHBondContact O-N 3.05Å; L77-Q81 WeakPolarHBondContact O-CB 3.36Å; L77-Q81 PolarHBondContact O-N 3.23Å |
| 78 | Q | 98.6 | Very high | 98.5 | Very high | 108 Ų | 108 | 105.9 Ų | 105.9 | 51% | 0.505 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.3 | -46.1 | 176.2 | -172.1 | 167.5 | -17.2 | 0 | 0 | 111.9 | T74 T75 H76 Q80 Q81 E82 | T74-Q78 PolarHBondContact O-N 3.14Å; T75-Q78 PolarHBondContact O-N 3.36Å; H76-Q78 VanDerWaalsContact C-N 3.28Å; H76-Q78 PolarHBondContact O-N 2.9Å; Q78-Q80 VanDerWaalsContact C-N 3.3Å; Q78-Q80 PolarHBondContact O-N 3.26Å; Q78-Q81 PolarHBondContact O-N 3.03Å; Q78-E82 WeakPolarHBondContact O-CG 3.32Å; Q78-E82 PolarHBondContact O-N 3.39Å |
| 79 | Y | 98.6 | Very high | 98.4 | Very high | 158 Ų | 158 | 105.4 Ų | 105.4 | 62% | 0.62 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -57.5 | -42.8 | 173 | -86.2 | -68.2 | 0 | 0 | 0 | 112.4 | T75 H76 E82 A83 | T75-Y79 HydrophobicContact CG2-CD2 3.79Å; T75-Y79 HydrophobicContact CG2-CE2 3.62Å; T75-Y79 VanDerWaalsContact O-CD2 3.26Å; T75-Y79 WeakPolarHBondContact O-CD2 3.45Å; T75-Y79 PolarHBondContact O-N 3.09Å; H76-Y79 PolarHBondContact O-N 3.4Å; Y79-E82 PolarHBondContact O-N 2.88Å; Y79-A83 PolarHBondContact O-N 3.06Å |
| 80 | Q | 98.6 | Very high | 98.4 | Very high | 113 Ų | 113 | 105 Ų | 105 | 53% | 0.528 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.5 | -41.9 | 177.9 | -72.7 | 175.1 | 17.5 | 0 | 0 | 111.7 | H76 L77 Q78 A83 I84 | H76-Q80 WeakPolarHBondContact O-CB 3.46Å; H76-Q80 VanDerWaalsContact O-CG 3.29Å; H76-Q80 WeakPolarHBondContact O-CG 3.44Å; H76-Q80 PolarHBondContact O-N 2.99Å; L77-Q80 PolarHBondContact O-N 3.05Å; Q78-Q80 VanDerWaalsContact C-N 3.3Å; Q78-Q80 PolarHBondContact O-N 3.26Å; Q80-A83 PolarHBondContact O-N 3.44Å; Q80-I84 VanDerWaalsContact O-CG1 3.26Å; Q80-I84 WeakPolarHBondContact O-CG1 3.47Å; Q80-I84 PolarHBondContact O-N 3.3Å |
| 81 | Q | 98.4 | Very high | 98.3 | Very high | 139 Ų | 139 | 103 Ų | 103 | 65% | 0.65 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -60.9 | -45.2 | 176.7 | -179.4 | -179.9 | -7.5 | 0 | 0 | 111.6 | L77 Q78 A83 I84 Q85 | L77-Q81 WeakPolarHBondContact O-CB 3.36Å; L77-Q81 PolarHBondContact O-N 3.23Å; Q78-Q81 PolarHBondContact O-N 3.03Å; Q81-A83 PolarHBondContact O-N 3.33Å; Q81-I84 PolarHBondContact O-N 2.95Å; Q81-Q85 WeakPolarHBondContact O-CB 3.4Å; Q81-Q85 PolarHBondContact O-N 2.76Å |
| 82 | E | 98.5 | Very high | 98.2 | Very high | 108 Ų | 108 | 105.7 Ų | 105.7 | 51% | 0.505 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.9 | -43.3 | 177 | -72.6 | 174.7 | -166.6 | 0 | 0 | 111.8 | Q78 Y79 Q85 K86 | Q78-E82 WeakPolarHBondContact O-CG 3.32Å; Q78-E82 PolarHBondContact O-N 3.39Å; Y79-E82 PolarHBondContact O-N 2.88Å; E82-Q85 PolarHBondContact O-N 3.46Å; E82-K86 PolarHBondContact O-N 2.85Å |
| 83 | A | 98.4 | Very high | 98.1 | Very high | 52 Ų | 52 | 104.8 Ų | 104.8 | 43% | 0.43 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.4 | -43.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y79 Q80 Q81 K86 N87 | Y79-A83 PolarHBondContact O-N 3.06Å; Q80-A83 PolarHBondContact O-N 3.44Å; Q81-A83 PolarHBondContact O-N 3.33Å; A83-K86 PolarHBondContact O-N 3.44Å; A83-N87 VanDerWaalsContact O-CG 3.25Å; A83-N87 PolarHBondContact O-N 3.49Å; A83-N87 VanDerWaalsContact O-N 3.07Å; A83-N87 PolarHBondContact O-ND2 3.23Å |
| 84 | I | 98.4 | Very high | 98.1 | Very high | 109 Ų | 109 | 104.2 Ų | 104.2 | 56% | 0.559 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.9 | -46.8 | 176 | -69.9 | 165.1 | 0 | 0 | 0 | 110.4 | Q80 Q81 K86 N87 V88 | Q80-I84 VanDerWaalsContact O-CG1 3.26Å; Q80-I84 WeakPolarHBondContact O-CG1 3.47Å; Q80-I84 PolarHBondContact O-N 3.3Å; Q81-I84 PolarHBondContact O-N 2.95Å; I84-K86 VanDerWaalsContact C-N 3.33Å; I84-K86 PolarHBondContact O-N 2.92Å; I84-N87 PolarHBondContact O-N 3.38Å; I84-N87 VanDerWaalsContact O-N 3.13Å; I84-V88 HydrophobicContact CG2-CG2 4.42Å; I84-V88 WeakPolarHBondContact O-CG2 3.38Å; I84-V88 PolarHBondContact O-N 3.42Å |
| 85 | Q | 98.4 | Very high | 98 | Very high | 120 Ų | 120 | 106.4 Ų | 106.4 | 56% | 0.561 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -58.6 | -45.4 | -180 | -175.6 | 61.9 | 38.8 | 0 | 0 | 111.7 | Q81 E82 N87 V88 E89 | Q81-Q85 WeakPolarHBondContact O-CB 3.4Å; Q81-Q85 PolarHBondContact O-N 2.76Å; E82-Q85 PolarHBondContact O-N 3.46Å; Q85-N87 VanDerWaalsContact C-N 3.32Å; Q85-N87 PolarHBondContact O-N 3.41Å; Q85-V88 PolarHBondContact O-N 2.92Å; Q85-E89 PolarHBondContact O-N 3.08Å; Q85-E89 VanDerWaalsContact O-N 3.07Å |
| 86 | K | 98.2 | Very high | 97.8 | Very high | 152 Ų | 152 | 107.5 Ų | 107.5 | 66% | 0.661 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -61.3 | -40.7 | 176.6 | -173.2 | 179.3 | 179.5 | -179.6 | 0 | 112 | E82 A83 I84 E89 H90 | E82-K86 PolarHBondContact O-N 2.85Å; A83-K86 PolarHBondContact O-N 3.44Å; I84-K86 VanDerWaalsContact C-N 3.33Å; I84-K86 PolarHBondContact O-N 2.92Å; K86-E89 PolarHBondContact O-N 3.06Å; K86-H90 WeakPolarHBondContact O-CB 3.33Å; K86-H90 PolarHBondContact O-N 2.93Å |
| 87 | N | 97.9 | Very high | 97.7 | Very high | 101 Ų | 101 | 108.2 Ų | 108.2 | 54% | 0.54 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -67.3 | -37.4 | 178.4 | -72.2 | -11.6 | 0 | 0 | 0 | 112.4 | A83 I84 Q85 H90 S91 | A83-N87 VanDerWaalsContact O-CG 3.25Å; A83-N87 PolarHBondContact O-N 3.49Å; A83-N87 VanDerWaalsContact O-N 3.07Å; A83-N87 PolarHBondContact O-ND2 3.23Å; I84-N87 PolarHBondContact O-N 3.38Å; I84-N87 VanDerWaalsContact O-N 3.13Å; Q85-N87 VanDerWaalsContact C-N 3.32Å; Q85-N87 PolarHBondContact O-N 3.41Å; N87-H90 PolarHBondContact O-N 2.93Å; N87-S91 WeakPolarHBondContact O-CB 3.21Å; N87-S91 PolarHBondContact O-N 3.46Å; N87-S91 PolarHBondContact O-OG 3.44Å |
| 88 | V | 98 | Very high | 97.6 | Very high | 86 Ų | 86 | 108.3 Ų | 108.3 | 52% | 0.521 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.3 | -46.9 | 175.2 | 169.8 | 0 | 0 | 0 | 0 | 110.7 | I84 Q85 S91 K92 | I84-V88 HydrophobicContact CG2-CG2 4.42Å; I84-V88 WeakPolarHBondContact O-CG2 3.38Å; I84-V88 PolarHBondContact O-N 3.42Å; Q85-V88 PolarHBondContact O-N 2.92Å; V88-S91 PolarHBondContact O-N 2.9Å; V88-K92 PolarHBondContact O-N 2.91Å |
| 89 | E | 97.3 | Very high | 97.5 | Very high | 117 Ų | 117 | 106.4 Ų | 106.4 | 55% | 0.547 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.4 | -44 | 177 | -174.1 | 176.2 | -173.8 | 0 | 0 | 111.8 | Q85 K86 S91 K92 N93 | Q85-E89 PolarHBondContact O-N 3.08Å; Q85-E89 VanDerWaalsContact O-N 3.07Å; K86-E89 PolarHBondContact O-N 3.06Å; E89-S91 VanDerWaalsContact C-N 3.34Å; E89-S91 PolarHBondContact O-N 3.2Å; E89-K92 WeakPolarHBondContact O-CB 3.46Å; E89-K92 PolarHBondContact O-N 3.12Å; E89-N93 PolarHBondContact O-N 3.29Å; E89-N93 PolarHBondContact O-ND2 3.14Å |
| 90 | H | 97.4 | Very high | 97.3 | Very high | 108 Ų | 108 | 106 Ų | 106 | 50% | 0.5 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.9 | -43.2 | 176.2 | -174.6 | 66.6 | 0 | 0 | 0 | 112.3 | K86 N87 K92 N93 L94 | K86-H90 WeakPolarHBondContact O-CB 3.33Å; K86-H90 PolarHBondContact O-N 2.93Å; N87-H90 PolarHBondContact O-N 2.93Å; H90-K92 VanDerWaalsContact C-N 3.31Å; H90-K92 PolarHBondContact O-N 3.43Å; H90-N93 WeakPolarHBondContact O-CB 3.37Å; H90-N93 PolarHBondContact O-N 3.44Å; H90-L94 WeakPolarHBondContact O-CG 3.31Å; H90-L94 PolarHBondContact O-N 2.95Å |
| 91 | S | 97.6 | Very high | 97.1 | Very high | 71 Ų | 71 | 107.2 Ų | 107.2 | 50% | 0.497 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.3 | -39.2 | 178 | -59.1 | 0 | 0 | 0 | 0 | 112 | N87 V88 E89 L94 Q95 | N87-S91 WeakPolarHBondContact O-CB 3.21Å; N87-S91 PolarHBondContact O-N 3.46Å; N87-S91 PolarHBondContact O-OG 3.44Å; V88-S91 PolarHBondContact O-N 2.9Å; E89-S91 VanDerWaalsContact C-N 3.34Å; E89-S91 PolarHBondContact O-N 3.2Å; S91-L94 PolarHBondContact O-N 2.96Å; S91-Q95 WeakPolarHBondContact O-CB 3.3Å; S91-Q95 PolarHBondContact O-N 3.29Å |
| 92 | K | 96.6 | Very high | 96.8 | Very high | 131 Ų | 131 | 107.1 Ų | 107.1 | 57% | 0.57 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -62.2 | -46.5 | 174.3 | -173.6 | -178 | 176.6 | -175.2 | 0 | 111.6 | V88 E89 H90 L94 Q95 D96 | V88-K92 PolarHBondContact O-N 2.91Å; E89-K92 WeakPolarHBondContact O-CB 3.46Å; E89-K92 PolarHBondContact O-N 3.12Å; H90-K92 VanDerWaalsContact C-N 3.31Å; H90-K92 PolarHBondContact O-N 3.43Å; K92-L94 VanDerWaalsContact C-N 3.32Å; K92-L94 PolarHBondContact O-N 3.44Å; K92-Q95 WeakPolarHBondContact O-CB 3.47Å; K92-Q95 PolarHBondContact O-N 3.12Å; K92-Q95 VanDerWaalsContact O-N 3.14Å; K92-D96 PolarHBondContact O-N 2.94Å |
| 93 | N | 96.8 | Very high | 95.3 | Very high | 75 Ų | 75 | 112.9 Ų | 112.9 | 40% | 0.401 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -59.3 | -42.8 | 177 | -69.8 | -29.6 | 0 | 0 | 0 | 111.9 | E89 H90 Q95 D96 Q97 | E89-N93 PolarHBondContact O-N 3.29Å; E89-N93 PolarHBondContact O-ND2 3.14Å; H90-N93 WeakPolarHBondContact O-CB 3.37Å; H90-N93 PolarHBondContact O-N 3.44Å; N93-Q95 VanDerWaalsContact C-N 3.35Å; N93-D96 PolarHBondContact O-N 3.48Å; N93-Q97 VanDerWaalsContact O-CG 3.29Å; N93-Q97 WeakPolarHBondContact O-CG 3.33Å; N93-Q97 PolarHBondContact O-N 2.84Å |
| 94 | L | 96.9 | Very high | 95.2 | Very high | 86 Ų | 86 | 115.9 Ų | 115.9 | 45% | 0.45 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -62.9 | -41.1 | 175.5 | -71.5 | 177.8 | 0 | 0 | 0 | 112 | H90 S91 K92 Q97 L98 | H90-L94 WeakPolarHBondContact O-CG 3.31Å; H90-L94 PolarHBondContact O-N 2.95Å; S91-L94 PolarHBondContact O-N 2.96Å; K92-L94 VanDerWaalsContact C-N 3.32Å; K92-L94 PolarHBondContact O-N 3.44Å; L94-Q97 PolarHBondContact O-N 2.95Å; L94-L98 WeakPolarHBondContact O-CB 3.47Å; L94-L98 PolarHBondContact O-N 3.36Å |
| 95 | Q | 96.9 | Very high | 95 | Very high | 129 Ų | 129 | 116.3 Ų | 116.3 | 60% | 0.603 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -64 | -41.2 | 177.2 | -172.1 | 176.5 | 17.4 | 0 | 0 | 111.9 | S91 K92 N93 L98 T99 | S91-Q95 WeakPolarHBondContact O-CB 3.3Å; S91-Q95 PolarHBondContact O-N 3.29Å; K92-Q95 WeakPolarHBondContact O-CB 3.47Å; K92-Q95 PolarHBondContact O-N 3.12Å; K92-Q95 VanDerWaalsContact O-N 3.14Å; N93-Q95 VanDerWaalsContact C-N 3.35Å; Q95-L98 PolarHBondContact O-N 3.4Å; Q95-T99 WeakPolarHBondContact O-CB 3.43Å; Q95-T99 PolarHBondContact O-N 3.48Å; Q95-T99 PolarHBondContact O-OG1 2.86Å |
| 96 | D | 95.9 | Very high | 94.8 | Very high | 90 Ų | 90 | 116.1 Ų | 116.1 | 48% | 0.481 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64.1 | -43.7 | 176.3 | -70.9 | -22.3 | 0 | 0 | 0 | 111.1 | K92 N93 T99 H100 | K92-D96 PolarHBondContact O-N 2.94Å; N93-D96 PolarHBondContact O-N 3.48Å; D96-T99 PolarHBondContact O-N 3.41Å; D96-H100 PolarHBondContact O-N 3.42Å |
| 97 | Q | 95.6 | Very high | 94.6 | Very high | 120 Ų | 120 | 113.9 Ų | 113.9 | 56% | 0.561 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -60.7 | -45.8 | 175.1 | -73.1 | 174.3 | 14.6 | 0 | 0 | 112.1 | N93 L94 T99 H100 L101 | N93-Q97 VanDerWaalsContact O-CG 3.29Å; N93-Q97 WeakPolarHBondContact O-CG 3.33Å; N93-Q97 PolarHBondContact O-N 2.84Å; L94-Q97 PolarHBondContact O-N 2.95Å; Q97-T99 VanDerWaalsContact C-N 3.31Å; Q97-T99 PolarHBondContact O-N 3.09Å; Q97-H100 PolarHBondContact O-N 3.44Å; Q97-L101 WeakPolarHBondContact O-CG 3.45Å; Q97-L101 PolarHBondContact O-N 2.88Å; Q97-L101 VanDerWaalsContact O-N 3.1Å |
| 98 | L | 96.7 | Very high | 94.4 | Very high | 102 Ų | 102 | 114.8 Ų | 114.8 | 53% | 0.534 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -61 | -42.8 | 177.2 | -176.6 | 65.8 | 0 | 0 | 0 | 111.2 | L94 Q95 H100 L101 L102 | L94-L98 WeakPolarHBondContact O-CB 3.47Å; L94-L98 PolarHBondContact O-N 3.36Å; Q95-L98 PolarHBondContact O-N 3.4Å; L98-H100 VanDerWaalsContact C-N 3.29Å; L98-H100 PolarHBondContact O-N 3.46Å; L98-L101 PolarHBondContact O-N 3.03Å; L98-L102 HydrophobicContact CD1-CD1 4.09Å; L98-L102 HydrophobicContact CD1-CG 4.43Å; L98-L102 HydrophobicContact CG-CD1 3.91Å; L98-L102 WeakPolarHBondContact O-CG 3.49Å; L98-L102 PolarHBondContact O-N 2.82Å; L98-L102 VanDerWaalsContact O-N 3.15Å |
| 99 | T | 96.4 | Very high | 94.2 | Very high | 67 Ų | 67 | 116.7 Ų | 116.7 | 41% | 0.411 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63.3 | -36.3 | 178.4 | -56 | 0 | 0 | 0 | 0 | 111.9 | Q95 D96 Q97 | Q95-T99 WeakPolarHBondContact O-CB 3.43Å; Q95-T99 PolarHBondContact O-N 3.48Å; Q95-T99 PolarHBondContact O-OG1 2.86Å; D96-T99 PolarHBondContact O-N 3.41Å; Q97-T99 VanDerWaalsContact C-N 3.31Å; Q97-T99 PolarHBondContact O-N 3.09Å |
| 100 | H | 95.4 | Very high | 93.9 | Very high | 150 Ų | 150 | 116.6 Ų | 116.6 | 69% | 0.694 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -68.8 | -36.5 | 175.8 | -172.5 | -69.8 | 0 | 0 | 0 | 112.4 | D96 Q97 L98 L102 | D96-H100 PolarHBondContact O-N 3.42Å; Q97-H100 PolarHBondContact O-N 3.44Å; L98-H100 VanDerWaalsContact C-N 3.29Å; L98-H100 PolarHBondContact O-N 3.46Å; H100-L102 VanDerWaalsContact C-N 3.33Å |
| 101 | L | 94.5 | Very high | 93.7 | Very high | 138 Ų | 138 | 117.3 Ų | 117.3 | 72% | 0.723 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -73 | -24.3 | 179 | -72.4 | 171.5 | 0 | 0 | 0 | 113.7 | Q97 L98 | Q97-L101 WeakPolarHBondContact O-CG 3.45Å; Q97-L101 PolarHBondContact O-N 2.88Å; Q97-L101 VanDerWaalsContact O-N 3.1Å; L98-L101 PolarHBondContact O-N 3.03Å |
| 102 | L | 91.9 | Very high | 93.4 | Very high | 138 Ų | 138 | 121.2 Ų | 121.2 | 72% | 0.723 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.8 | 5 | -178.4 | -67.1 | 173.5 | 0 | 0 | 0 | 113.8 | L98 H100 | L98-L102 HydrophobicContact CD1-CD1 4.09Å; L98-L102 HydrophobicContact CD1-CG 4.43Å; L98-L102 HydrophobicContact CG-CD1 3.91Å; L98-L102 WeakPolarHBondContact O-CG 3.49Å; L98-L102 PolarHBondContact O-N 2.82Å; L98-L102 VanDerWaalsContact O-N 3.15Å; H100-L102 VanDerWaalsContact C-N 3.33Å |
| 103 | K | 66.7 | Low | 93.1 | Very high | 228 Ų | 228 | 120.3 Ų | 120.3 | 99% | 0.991 | 60% | 0.597 | S | S | * | * | trans | -102.3 | 0 | 171.6 | -76.3 | 179.2 | 178.6 | 177.2 | 0 | 110.4 |
Retrieved 103 of 103 residues in 30.9 ms
(Link to these results)