| 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 | 39 | Very low | 52.8 | Low | 240 Ų | 240 | 149.1 Ų | 149.1 | 100% | 1.182 | 84% | 0.843 | S | S | * | * | 0 | 107.4 | 0 | -78.4 | -81.6 | 127.3 | 0 | 0 | 106.1 | S3 | M1-S3 PolarHBondContact O-N 3.43Š| |||
| 2 | A | 38.7 | Very low | 54.6 | Low | 96 Ų | 96 | 141.8 Ų | 141.8 | 79% | 0.793 | 80% | 0.797 | S | S | * | * | trans | -64.3 | 124.8 | -170.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | V4 | A2-V4 PolarHBondContact O-N 3.48Š| ||
| 3 | S | 46.3 | Very low | 57 | Low | 123 Ų | 123 | 137.3 Ų | 137.3 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | trans | -66.7 | 110.1 | 168.3 | -150.5 | 0 | 0 | 0 | 0 | 106.7 | M1 E5 | M1-S3 PolarHBondContact O-N 3.43Å; S3-E5 PolarHBondContact O-N 2.97Å | ||
| 4 | V | 51.8 | Low | 59.2 | Low | 134 Ų | 134 | 135.1 Ų | 135.1 | 81% | 0.812 | 77% | 0.771 | S | S | * | * | trans | -73.7 | 99.7 | 176 | -179.8 | 0 | 0 | 0 | 0 | 106.6 | A2 S6 | A2-V4 PolarHBondContact O-N 3.48Å; V4-S6 PolarHBondContact O-N 3.49Å | ||
| 5 | E | 46.3 | Very low | 61.2 | Low | 182 Ų | 182 | 137.5 Ų | 137.5 | 85% | 0.85 | 77% | 0.769 | S | S | * | * | trans | -55.6 | 117.4 | 171.7 | -167.2 | 147.6 | -171.2 | 0 | 0 | 108.9 | S3 Q7 | S3-E5 PolarHBondContact O-N 2.97Å; E5-Q7 VanDerWaalsContact C-N 3.33Å; E5-Q7 PolarHBondContact O-N 3.16Å | ||
| 6 | S | 56.8 | Low | 62.9 | Low | 112 Ų | 112 | 130.6 Ų | 130.6 | 78% | 0.783 | 74% | 0.738 | S | S | * | * | trans | -71.3 | 87.6 | -175.5 | 51.7 | 0 | 0 | 0 | 0 | 110 | V4 | V4-S6 PolarHBondContact O-N 3.49Š| ||
| 7 | Q | 55.4 | Low | 64.5 | Low | 170 Ų | 170 | 127.4 Ų | 127.4 | 79% | 0.794 | 72% | 0.718 | S | S | * | * | trans | -53.5 | 138.5 | 167.8 | -125.1 | -174.6 | -36.7 | 0 | 0 | 109.8 | E5 R9 | E5-Q7 VanDerWaalsContact C-N 3.33Å; E5-Q7 PolarHBondContact O-N 3.16Å; Q7-R9 PolarHBondContact O-N 3.08Å | ||
| 8 | P | 53.9 | Low | 66 | Low | 108 Ų | 108 | 126.1 Ų | 126.1 | 70% | 0.701 | 71% | 0.708 | S | S | * | * | trans | -65.5 | 104.8 | 177.6 | 25.2 | -31.8 | 0 | 0 | 0 | 109.8 | F10 | P8-F10 VanDerWaalsContact C-N 3.29Å; P8-F10 PolarHBondContact O-N 2.84Å | ||
| 9 | R | 63.3 | Low | 67.4 | Low | 179 Ų | 179 | 123.7 Ų | 123.7 | 68% | 0.675 | 70% | 0.7 | S | S | * | * | trans | -75.2 | 81.4 | 175.1 | -76.1 | -178.3 | 172.8 | 179.7 | 1.3 | 109.6 | Q7 G11 Q12 | Q7-R9 PolarHBondContact O-N 3.08Å; R9-G11 PolarHBondContact O-N 2.88Å; R9-Q12 HydrophobicContact CB-CB 4.21Å; R9-Q12 PolarHBondContact O-N 3.3Å | ||
| 10 | F | 59.9 | Low | 68.6 | Low | 208 Ų | 208 | 122 Ų | 122 | 91% | 0.912 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.9 | 126.6 | 167.2 | -99.2 | -91.3 | 0 | 0 | 0 | 109.6 | P8 | P8-F10 VanDerWaalsContact C-N 3.29Å; P8-F10 PolarHBondContact O-N 2.84Å |
| 11 | G | 69.2 | Low | 69.9 | Low | 88 Ų | 88 | 123.7 Ų | 123.7 | 91% | 0.907 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 100 | -7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 116 | R9 | R9-G11 PolarHBondContact O-N 2.88Š|
| 12 | Q | 74.9 | Confident | 72.6 | Confident | 62 Ų | 62 | 117 Ų | 117 | 29% | 0.29 | 66% | 0.661 | S | S | . | * | trans | -83.2 | 128.4 | 176.1 | -148.9 | 170.2 | -1.9 | 0 | 0 | 110.8 | R9 V14 L17 D20 | R9-Q12 HydrophobicContact CB-CB 4.21Å; R9-Q12 PolarHBondContact O-N 3.3Å; Q12-V14 PolarHBondContact O-N 3.22Å; Q12-L17 HydrophobicContact CB-CD2 4.38Å; Q12-L17 HydrophobicContact CB-CG 4.26Å; Q12-L17 HydrophobicContact CG-CD2 4.28Å; Q12-L17 HydrophobicContact CG-CG 4.26Å; Q12-L17 VanDerWaalsContact OE1-CD2 3.3Å; Q12-D20 PolarHBondContact NE2-OD2 3.42Å | ||
| 13 | S | 86.3 | Confident | 75.3 | Confident | 83 Ų | 83 | 114.5 Ų | 114.5 | 58% | 0.58 | 65% | 0.646 | S | S | * | * | trans | -61.3 | 139.1 | 176.1 | 177.6 | 0 | 0 | 0 | 0 | 110.4 | K15 G16 L17 | S13-K15 PolarHBondContact O-N 3.38Å; S13-K15 VanDerWaalsContact O-N 3.08Å; S13-K15 PolarHBondContact OG-N 3.44Å; S13-G16 WeakPolarHBondContact O-CA 3.35Å; S13-G16 PolarHBondContact O-N 2.96Å; S13-L17 PolarHBondContact O-N 3.4Å; S13-L17 VanDerWaalsContact O-N 3.16Å | ||
| 14 | V | 87.6 | Confident | 77.6 | Confident | 107 Ų | 107 | 112 Ų | 112 | 65% | 0.648 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -49.5 | -36.4 | 173.8 | 178.2 | 0 | 0 | 0 | 0 | 111.4 | Q12 G16 L17 L18 | Q12-V14 PolarHBondContact O-N 3.22Å; V14-G16 PolarHBondContact O-N 3.28Å; V14-L17 PolarHBondContact O-N 3.09Å; V14-L18 HydrophobicContact CG1-CD1 3.93Å; V14-L18 HydrophobicContact CG1-CG 4.43Å; V14-L18 WeakPolarHBondContact O-CB 3.43Å; V14-L18 WeakPolarHBondContact O-CG 3.45Å; V14-L18 PolarHBondContact O-N 2.95Å |
| 15 | K | 88.6 | Confident | 79.7 | Confident | 171 Ų | 171 | 109.1 Ų | 109.1 | 74% | 0.743 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -61.9 | -41.2 | 175.7 | -175 | -178.4 | 175.6 | -175.6 | 0 | 112.6 | S13 S19 | S13-K15 PolarHBondContact O-N 3.38Å; S13-K15 VanDerWaalsContact O-N 3.08Å; S13-K15 PolarHBondContact OG-N 3.44Å; K15-S19 WeakPolarHBondContact O-CB 3.27Å; K15-S19 PolarHBondContact O-N 3.35Å |
| 16 | G | 89.2 | Confident | 82.2 | Confident | 26 Ų | 26 | 103.6 Ų | 103.6 | 27% | 0.268 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -66.3 | -46.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | S13 V14 L18 S19 D20 | S13-G16 WeakPolarHBondContact O-CA 3.35Å; S13-G16 PolarHBondContact O-N 2.96Å; V14-G16 PolarHBondContact O-N 3.28Å; G16-L18 VanDerWaalsContact C-N 3.31Å; G16-L18 PolarHBondContact O-N 2.92Å; G16-S19 WeakPolarHBondContact O-CB 3.44Å; G16-S19 PolarHBondContact O-N 2.94Å; G16-S19 VanDerWaalsContact O-N 3.16Å; G16-D20 PolarHBondContact O-N 3.46Å |
| 17 | L | 89 | Confident | 84.1 | Confident | 77 Ų | 77 | 99.9 Ų | 99.9 | 40% | 0.403 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -61.2 | -39.2 | 177 | -68.8 | 172 | 0 | 0 | 0 | 112.7 | Q12 S13 V14 K21 | Q12-L17 HydrophobicContact CB-CD2 4.38Å; Q12-L17 HydrophobicContact CB-CG 4.26Å; Q12-L17 HydrophobicContact CG-CD2 4.28Å; Q12-L17 HydrophobicContact CG-CG 4.26Å; Q12-L17 VanDerWaalsContact OE1-CD2 3.3Å; S13-L17 PolarHBondContact O-N 3.4Å; S13-L17 VanDerWaalsContact O-N 3.16Å; V14-L17 PolarHBondContact O-N 3.09Å; L17-K21 PolarHBondContact O-N 3.41Å; L17-K21 VanDerWaalsContact O-N 3.09Å |
| 18 | L | 91.6 | Very high | 86.1 | Confident | 104 Ų | 104 | 96.7 Ų | 96.7 | 55% | 0.545 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -66 | -44.4 | 174 | -77.1 | 168.3 | 0 | 0 | 0 | 111.5 | V14 G16 D20 K21 V22 | V14-L18 HydrophobicContact CG1-CD1 3.93Å; V14-L18 HydrophobicContact CG1-CG 4.43Å; V14-L18 WeakPolarHBondContact O-CB 3.43Å; V14-L18 WeakPolarHBondContact O-CG 3.45Å; V14-L18 PolarHBondContact O-N 2.95Å; G16-L18 VanDerWaalsContact C-N 3.31Å; G16-L18 PolarHBondContact O-N 2.92Å; L18-D20 VanDerWaalsContact C-N 3.31Å; L18-D20 PolarHBondContact O-N 3.24Å; L18-K21 PolarHBondContact O-N 3.42Å; L18-V22 WeakPolarHBondContact O-CB 3.4Å; L18-V22 VanDerWaalsContact O-CG2 3.27Å; L18-V22 WeakPolarHBondContact O-CG2 3.36Å; L18-V22 PolarHBondContact O-N 3.43Å |
| 19 | S | 92.6 | Very high | 88.2 | Confident | 80 Ų | 80 | 95.3 Ų | 95.3 | 56% | 0.559 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -58.7 | -43.2 | 176.8 | -168.6 | 0 | 0 | 0 | 0 | 111.8 | K15 G16 V22 G23 | K15-S19 WeakPolarHBondContact O-CB 3.27Å; K15-S19 PolarHBondContact O-N 3.35Å; G16-S19 WeakPolarHBondContact O-CB 3.44Å; G16-S19 PolarHBondContact O-N 2.94Å; G16-S19 VanDerWaalsContact O-N 3.16Å; S19-V22 PolarHBondContact O-N 2.94Å; S19-G23 PolarHBondContact O-N 3.3Å |
| 20 | D | 92.4 | Very high | 89.8 | Confident | 90 Ų | 90 | 90.7 Ų | 90.7 | 48% | 0.481 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.3 | -45.2 | 178 | -68 | -16.7 | 0 | 0 | 0 | 111.4 | Q12 G16 L18 G23 S24 | Q12-D20 PolarHBondContact NE2-OD2 3.42Å; G16-D20 PolarHBondContact O-N 3.46Å; L18-D20 VanDerWaalsContact C-N 3.31Å; L18-D20 PolarHBondContact O-N 3.24Å; D20-G23 PolarHBondContact O-N 2.9Å; D20-S24 PolarHBondContact O-N 2.93Å |
| 21 | K | 94.3 | Very high | 91.7 | Very high | 158 Ų | 158 | 83 Ų | 83 | 69% | 0.687 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.6 | -41.5 | 176.3 | -80.1 | -177.1 | -178.1 | -173.2 | 0 | 112.7 | L17 L18 G23 S24 C25 | L17-K21 PolarHBondContact O-N 3.41Å; L17-K21 VanDerWaalsContact O-N 3.09Å; L18-K21 PolarHBondContact O-N 3.42Å; K21-G23 VanDerWaalsContact C-N 3.34Å; K21-S24 PolarHBondContact O-N 3.16Å; K21-C25 VanDerWaalsContact O-CB 3.27Å; K21-C25 WeakPolarHBondContact O-CB 3.27Å; K21-C25 PolarHBondContact O-N 3.32Å |
| 22 | V | 96 | Very high | 93 | Very high | 98 Ų | 98 | 83.6 Ų | 83.6 | 59% | 0.594 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.1 | -42.1 | 176 | 169.5 | 0 | 0 | 0 | 0 | 110.5 | L18 S19 C25 S26 | L18-V22 WeakPolarHBondContact O-CB 3.4Å; L18-V22 VanDerWaalsContact O-CG2 3.27Å; L18-V22 WeakPolarHBondContact O-CG2 3.36Å; L18-V22 PolarHBondContact O-N 3.43Å; S19-V22 PolarHBondContact O-N 2.94Å; V22-C25 PolarHBondContact O-N 3.13Å; V22-S26 WeakPolarHBondContact O-CB 3.42Å; V22-S26 PolarHBondContact O-N 2.94Å |
| 23 | G | 95.7 | Very high | 94.1 | Very high | 45 Ų | 45 | 84.3 Ų | 84.3 | 46% | 0.464 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.7 | -47.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | S19 D20 K21 S26 G27 | S19-G23 PolarHBondContact O-N 3.3Å; D20-G23 PolarHBondContact O-N 2.9Å; K21-G23 VanDerWaalsContact C-N 3.34Å; G23-S26 PolarHBondContact O-N 3.17Å; G23-G27 PolarHBondContact O-N 3.43Å; G23-G27 VanDerWaalsContact O-N 3.09Å |
| 24 | S | 95.3 | Very high | 94.7 | Very high | 71 Ų | 71 | 87 Ų | 87 | 50% | 0.497 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.5 | -49.8 | 175.7 | -169.8 | 0 | 0 | 0 | 0 | 111.6 | D20 K21 S26 G27 D28 | D20-S24 PolarHBondContact O-N 2.93Å; K21-S24 PolarHBondContact O-N 3.16Å; S24-S26 VanDerWaalsContact C-N 3.32Å; S24-S26 PolarHBondContact O-N 2.94Å; S24-G27 WeakPolarHBondContact O-CA 3.34Å; S24-G27 PolarHBondContact O-N 2.79Å; S24-D28 PolarHBondContact O-N 3.31Å |
| 25 | C | 96.5 | Very high | 95.1 | Very high | 72 Ų | 72 | 88.4 Ų | 88.4 | 49% | 0.486 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -57.8 | -43.9 | 179.2 | -179.9 | 0 | 0 | 0 | 0 | 111.8 | K21 V22 G27 D28 V29 | K21-C25 VanDerWaalsContact O-CB 3.27Å; K21-C25 WeakPolarHBondContact O-CB 3.27Å; K21-C25 PolarHBondContact O-N 3.32Å; V22-C25 PolarHBondContact O-N 3.13Å; C25-G27 VanDerWaalsContact C-N 3.32Å; C25-G27 PolarHBondContact O-N 2.93Å; C25-D28 PolarHBondContact O-N 2.87Å; C25-V29 WeakPolarHBondContact O-CG2 3.45Å; C25-V29 PolarHBondContact O-N 3.44Å |
| 26 | S | 97.1 | Very high | 95.6 | Very high | 66 Ų | 66 | 84.3 Ų | 84.3 | 46% | 0.462 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -58.3 | -44.3 | 174.8 | -176.1 | 0 | 0 | 0 | 0 | 111.8 | V22 G23 S24 D28 V29 I30 | V22-S26 WeakPolarHBondContact O-CB 3.42Å; V22-S26 PolarHBondContact O-N 2.94Å; G23-S26 PolarHBondContact O-N 3.17Å; S24-S26 VanDerWaalsContact C-N 3.32Å; S24-S26 PolarHBondContact O-N 2.94Å; S26-D28 PolarHBondContact O-N 2.84Å; S26-V29 PolarHBondContact O-N 2.94Å; S26-I30 WeakPolarHBondContact O-CD1 3.43Å; S26-I30 VanDerWaalsContact O-CG1 3.24Å; S26-I30 WeakPolarHBondContact O-CG1 3.39Å; S26-I30 PolarHBondContact O-N 3.05Å; S26-I30 VanDerWaalsContact O-N 3.13Å |
| 27 | G | 97.4 | Very high | 96 | Very high | 35 Ų | 35 | 88.6 Ų | 88.6 | 36% | 0.361 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.5 | -46.1 | 175 | 0 | 0 | 0 | 0 | 0 | 113.1 | G23 S24 C25 I30 A31 | G23-G27 PolarHBondContact O-N 3.43Å; G23-G27 VanDerWaalsContact O-N 3.09Å; S24-G27 WeakPolarHBondContact O-CA 3.34Å; S24-G27 PolarHBondContact O-N 2.79Å; C25-G27 VanDerWaalsContact C-N 3.32Å; C25-G27 PolarHBondContact O-N 2.93Å; G27-I30 PolarHBondContact O-N 3.09Å; G27-A31 PolarHBondContact O-N 3.46Å |
| 28 | D | 97.5 | Very high | 96.3 | Very high | 102 Ų | 102 | 92.4 Ų | 92.4 | 55% | 0.545 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64 | -42.4 | -179.9 | -65.1 | -31.5 | 0 | 0 | 0 | 111.8 | S24 C25 S26 I30 A31 L32 | S24-D28 PolarHBondContact O-N 3.31Å; C25-D28 PolarHBondContact O-N 2.87Å; S26-D28 PolarHBondContact O-N 2.84Å; D28-I30 VanDerWaalsContact C-N 3.34Å; D28-I30 PolarHBondContact O-N 3.47Å; D28-A31 PolarHBondContact O-N 3.23Å; D28-L32 WeakPolarHBondContact O-CB 3.49Å; D28-L32 PolarHBondContact O-N 3.4Å |
| 29 | V | 98.1 | Very high | 96.5 | Very high | 80 Ų | 80 | 89.2 Ų | 89.2 | 49% | 0.485 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.4 | -41 | 176.7 | 170.3 | 0 | 0 | 0 | 0 | 111.5 | C25 S26 L32 T33 | C25-V29 WeakPolarHBondContact O-CG2 3.45Å; C25-V29 PolarHBondContact O-N 3.44Å; S26-V29 PolarHBondContact O-N 2.94Å; V29-L32 PolarHBondContact O-N 3.08Å; V29-T33 WeakPolarHBondContact O-CB 3.24Å; V29-T33 PolarHBondContact O-N 3.5Å; V29-T33 PolarHBondContact O-OG1 3.28Å |
| 30 | I | 97.5 | Very high | 96.7 | Very high | 82 Ų | 82 | 88.4 Ų | 88.4 | 42% | 0.421 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67 | -41.9 | 176.9 | -63 | 166.2 | 0 | 0 | 0 | 110.2 | S26 G27 D28 T33 R34 | S26-I30 WeakPolarHBondContact O-CD1 3.43Å; S26-I30 VanDerWaalsContact O-CG1 3.24Å; S26-I30 WeakPolarHBondContact O-CG1 3.39Å; S26-I30 PolarHBondContact O-N 3.05Å; S26-I30 VanDerWaalsContact O-N 3.13Å; G27-I30 PolarHBondContact O-N 3.09Å; D28-I30 VanDerWaalsContact C-N 3.34Å; D28-I30 PolarHBondContact O-N 3.47Å; I30-T33 PolarHBondContact O-N 3.36Å; I30-R34 PolarHBondContact O-N 2.9Å; I30-R34 VanDerWaalsContact O-N 3.09Å |
| 31 | A | 97.8 | Very high | 96.9 | Very high | 45 Ų | 45 | 92.7 Ų | 92.7 | 37% | 0.372 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.6 | -46 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | G27 D28 T33 R34 Q35 | G27-A31 PolarHBondContact O-N 3.46Å; D28-A31 PolarHBondContact O-N 3.23Å; A31-T33 VanDerWaalsContact C-N 3.35Å; A31-T33 PolarHBondContact O-N 2.86Å; A31-R34 PolarHBondContact O-N 3.43Å; A31-Q35 PolarHBondContact O-N 3.2Å |
| 32 | L | 98 | Very high | 97 | Very high | 102 Ų | 102 | 88 Ų | 88 | 53% | 0.534 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58 | -46.8 | 175 | 177.7 | 61.3 | 0 | 0 | 0 | 111.3 | D28 V29 R34 Q35 V36 | D28-L32 WeakPolarHBondContact O-CB 3.49Å; D28-L32 PolarHBondContact O-N 3.4Å; V29-L32 PolarHBondContact O-N 3.08Å; L32-R34 VanDerWaalsContact C-N 3.31Å; L32-R34 PolarHBondContact O-N 3.43Å; L32-Q35 WeakPolarHBondContact O-CB 3.45Å; L32-Q35 PolarHBondContact O-N 3.12Å; L32-V36 HydrophobicContact CD1-CG2 4.3Å; L32-V36 WeakPolarHBondContact O-CG2 3.49Å; L32-V36 PolarHBondContact O-N 2.86Å |
| 33 | T | 97.8 | Very high | 97 | Very high | 77 Ų | 77 | 90.2 Ų | 90.2 | 47% | 0.472 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -57.2 | -45.3 | 178.3 | -57.9 | 0 | 0 | 0 | 0 | 111.3 | V29 I30 A31 Q35 V36 L37 | V29-T33 WeakPolarHBondContact O-CB 3.24Å; V29-T33 PolarHBondContact O-N 3.5Å; V29-T33 PolarHBondContact O-OG1 3.28Å; I30-T33 PolarHBondContact O-N 3.36Å; A31-T33 VanDerWaalsContact C-N 3.35Å; A31-T33 PolarHBondContact O-N 2.86Å; T33-Q35 VanDerWaalsContact C-N 3.34Å; T33-Q35 PolarHBondContact O-N 3.45Å; T33-V36 PolarHBondContact O-N 3.15Å; T33-L37 HydrophobicContact CG2-CD1 4.48Å; T33-L37 WeakPolarHBondContact O-CG 3.47Å; T33-L37 PolarHBondContact O-N 3.1Å; T33-L37 VanDerWaalsContact O-N 3.08Å |
| 34 | R | 97.8 | Very high | 97.1 | Very high | 138 Ų | 138 | 94.8 Ų | 94.8 | 52% | 0.521 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.7 | -38.9 | 175.8 | -73.3 | -174 | -70.5 | -106.8 | -4.2 | 112.7 | I30 A31 L32 L37 K38 | I30-R34 PolarHBondContact O-N 2.9Å; I30-R34 VanDerWaalsContact O-N 3.09Å; A31-R34 PolarHBondContact O-N 3.43Å; L32-R34 VanDerWaalsContact C-N 3.31Å; L32-R34 PolarHBondContact O-N 3.43Å; R34-L37 PolarHBondContact O-N 2.83Å; R34-K38 WeakPolarHBondContact O-CG 3.46Å; R34-K38 PolarHBondContact O-N 3.37Å |
| 35 | Q | 97.7 | Very high | 97.2 | Very high | 138 Ų | 138 | 96.7 Ų | 96.7 | 65% | 0.645 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65.5 | -43.1 | 178.5 | -173.1 | 176.7 | 1.1 | 0 | 0 | 111.2 | A31 L32 T33 K38 G39 | A31-Q35 PolarHBondContact O-N 3.2Å; L32-Q35 WeakPolarHBondContact O-CB 3.45Å; L32-Q35 PolarHBondContact O-N 3.12Å; T33-Q35 VanDerWaalsContact C-N 3.34Å; T33-Q35 PolarHBondContact O-N 3.45Å; Q35-K38 PolarHBondContact O-N 3.35Å; Q35-G39 PolarHBondContact O-N 3.47Å |
| 36 | V | 97.9 | Very high | 97.3 | Very high | 84 Ų | 84 | 98.8 Ų | 98.8 | 51% | 0.509 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -58.6 | -49.3 | 174.9 | 171.3 | 0 | 0 | 0 | 0 | 110.6 | L32 T33 K38 G39 S40 | L32-V36 HydrophobicContact CD1-CG2 4.3Å; L32-V36 WeakPolarHBondContact O-CG2 3.49Å; L32-V36 PolarHBondContact O-N 2.86Å; T33-V36 PolarHBondContact O-N 3.15Å; V36-K38 PolarHBondContact O-N 3.05Å; V36-G39 WeakPolarHBondContact O-CA 3.43Å; V36-G39 PolarHBondContact O-N 3.08Å; V36-G39 VanDerWaalsContact O-N 3.1Å; V36-S40 PolarHBondContact O-N 2.89Å; V36-S40 PolarHBondContact O-OG 3.07Å; V36-S40 VanDerWaalsContact O-OG 3.12Å |
| 37 | L | 97.3 | Very high | 97.3 | Very high | 116 Ų | 116 | 96.9 Ų | 96.9 | 61% | 0.607 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -59.4 | -43.3 | 178.8 | -68.8 | 173.4 | 0 | 0 | 0 | 112.8 | T33 R34 R41 | T33-L37 HydrophobicContact CG2-CD1 4.48Å; T33-L37 WeakPolarHBondContact O-CG 3.47Å; T33-L37 PolarHBondContact O-N 3.1Å; T33-L37 VanDerWaalsContact O-N 3.08Å; R34-L37 PolarHBondContact O-N 2.83Å; L37-R41 PolarHBondContact O-N 2.98Å |
| 38 | K | 96.2 | Very high | 97.3 | Very high | 157 Ų | 157 | 99.3 Ų | 99.3 | 68% | 0.683 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.1 | -41.8 | 174.7 | -72.5 | 178.4 | -179.3 | -176.8 | 0 | 111.5 | R34 Q35 V36 R41 S42 | R34-K38 WeakPolarHBondContact O-CG 3.46Å; R34-K38 PolarHBondContact O-N 3.37Å; Q35-K38 PolarHBondContact O-N 3.35Å; V36-K38 PolarHBondContact O-N 3.05Å; K38-R41 PolarHBondContact O-N 3.34Å; K38-S42 WeakPolarHBondContact O-CB 3.38Å; K38-S42 PolarHBondContact O-N 3.09Å |
| 39 | G | 96.4 | Very high | 97.3 | Very high | 38 Ų | 38 | 96.6 Ų | 96.6 | 39% | 0.392 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.6 | -48 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q35 V36 R41 S42 Q43 | Q35-G39 PolarHBondContact O-N 3.47Å; V36-G39 WeakPolarHBondContact O-CA 3.43Å; V36-G39 PolarHBondContact O-N 3.08Å; V36-G39 VanDerWaalsContact O-N 3.1Å; G39-R41 PolarHBondContact O-N 3.25Å; G39-S42 WeakPolarHBondContact O-CB 3.48Å; G39-S42 PolarHBondContact O-N 3.4Å; G39-S42 VanDerWaalsContact O-N 3.15Å; G39-Q43 PolarHBondContact O-N 3.46Å |
| 40 | S | 96 | Very high | 97.2 | Very high | 63 Ų | 63 | 95.3 Ų | 95.3 | 44% | 0.441 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.4 | -45.3 | 177.9 | -57.1 | 0 | 0 | 0 | 0 | 112 | V36 S42 Q43 E44 | V36-S40 PolarHBondContact O-N 2.89Å; V36-S40 PolarHBondContact O-OG 3.07Å; V36-S40 VanDerWaalsContact O-OG 3.12Å; S40-S42 VanDerWaalsContact C-N 3.33Å; S40-S42 PolarHBondContact O-N 3.46Å; S40-Q43 WeakPolarHBondContact O-CB 3.37Å; S40-Q43 PolarHBondContact O-N 3.37Å; S40-E44 PolarHBondContact O-N 3.03Å; S40-E44 VanDerWaalsContact O-N 3.08Å |
| 41 | R | 96.2 | Very high | 97.2 | Very high | 180 Ų | 180 | 97.8 Ų | 97.8 | 68% | 0.679 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.8 | -40.3 | 175.7 | -174.1 | 176.4 | 179.9 | -177.3 | -0.1 | 112.1 | L37 K38 G39 Q43 E44 L45 | L37-R41 PolarHBondContact O-N 2.98Å; K38-R41 PolarHBondContact O-N 3.34Å; G39-R41 PolarHBondContact O-N 3.25Å; R41-Q43 VanDerWaalsContact C-N 3.34Å; R41-E44 PolarHBondContact O-N 3.37Å; R41-L45 WeakPolarHBondContact O-CG 3.35Å; R41-L45 PolarHBondContact O-N 3.29Å; R41-L45 VanDerWaalsContact O-N 3.16Å |
| 42 | S | 96.9 | Very high | 97.1 | Very high | 60 Ų | 60 | 99.5 Ų | 99.5 | 42% | 0.42 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64 | -40.5 | 176.9 | -169.7 | 0 | 0 | 0 | 0 | 111.8 | K38 G39 S40 E44 L45 L46 | K38-S42 WeakPolarHBondContact O-CB 3.38Å; K38-S42 PolarHBondContact O-N 3.09Å; G39-S42 WeakPolarHBondContact O-CB 3.48Å; G39-S42 PolarHBondContact O-N 3.4Å; G39-S42 VanDerWaalsContact O-N 3.15Å; S40-S42 VanDerWaalsContact C-N 3.33Å; S40-S42 PolarHBondContact O-N 3.46Å; S42-E44 VanDerWaalsContact C-N 3.34Å; S42-L45 PolarHBondContact O-N 3.38Å; S42-L46 WeakPolarHBondContact O-CB 3.45Å; S42-L46 VanDerWaalsContact O-CG 3.3Å; S42-L46 WeakPolarHBondContact O-CG 3.3Å; S42-L46 PolarHBondContact O-N 3.39Å |
| 43 | Q | 96.6 | Very high | 97 | Very high | 144 Ų | 144 | 101.1 Ų | 101.1 | 67% | 0.673 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.6 | -42.6 | 177.4 | -171.8 | -152.6 | -10.5 | 0 | 0 | 111.3 | G39 S40 R41 L46 G47 | G39-Q43 PolarHBondContact O-N 3.46Å; S40-Q43 WeakPolarHBondContact O-CB 3.37Å; S40-Q43 PolarHBondContact O-N 3.37Å; R41-Q43 VanDerWaalsContact C-N 3.34Å; Q43-L46 PolarHBondContact O-N 2.96Å; Q43-G47 PolarHBondContact O-N 3.18Å |
| 44 | E | 97 | Very high | 96.8 | Very high | 141 Ų | 141 | 102 Ų | 102 | 66% | 0.659 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -60.7 | -47.4 | 177.5 | -175.7 | -178.8 | -175.3 | 0 | 0 | 111.8 | S40 R41 S42 L46 G47 Q48 | S40-E44 PolarHBondContact O-N 3.03Å; S40-E44 VanDerWaalsContact O-N 3.08Å; R41-E44 PolarHBondContact O-N 3.37Å; S42-E44 VanDerWaalsContact C-N 3.34Å; E44-L46 PolarHBondContact O-N 3.06Å; E44-G47 PolarHBondContact O-N 2.91Å; E44-Q48 PolarHBondContact O-N 3.31Å |
| 45 | L | 97.3 | Very high | 96.6 | Very high | 111 Ų | 111 | 101.3 Ų | 101.3 | 58% | 0.581 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -61.7 | -43.2 | 177 | -69.4 | 173.7 | 0 | 0 | 0 | 111.9 | R41 S42 G47 Q48 A49 | R41-L45 WeakPolarHBondContact O-CG 3.35Å; R41-L45 PolarHBondContact O-N 3.29Å; R41-L45 VanDerWaalsContact O-N 3.16Å; S42-L45 PolarHBondContact O-N 3.38Å; L45-G47 VanDerWaalsContact C-N 3.33Å; L45-G47 PolarHBondContact O-N 3.47Å; L45-Q48 PolarHBondContact O-N 3.47Å; L45-A49 WeakPolarHBondContact O-CB 3.39Å; L45-A49 PolarHBondContact O-N 3.07Å |
| 46 | L | 97.8 | Very high | 96.5 | Very high | 115 Ų | 115 | 100.5 Ų | 100.5 | 60% | 0.602 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.3 | -41.6 | 175.3 | -75.1 | 169.1 | 0 | 0 | 0 | 111.4 | S42 Q43 E44 Q48 A49 A50 | S42-L46 WeakPolarHBondContact O-CB 3.45Å; S42-L46 VanDerWaalsContact O-CG 3.3Å; S42-L46 WeakPolarHBondContact O-CG 3.3Å; S42-L46 PolarHBondContact O-N 3.39Å; Q43-L46 PolarHBondContact O-N 2.96Å; E44-L46 PolarHBondContact O-N 3.06Å; L46-Q48 VanDerWaalsContact C-N 3.33Å; L46-Q48 PolarHBondContact O-N 3.3Å; L46-A49 PolarHBondContact O-N 3.46Å; L46-A50 WeakPolarHBondContact O-CB 3.44Å; L46-A50 PolarHBondContact O-N 2.93Å |
| 47 | G | 97.3 | Very high | 96.4 | Very high | 27 Ų | 27 | 102.1 Ų | 102.1 | 28% | 0.278 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.7 | -40.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q43 E44 L45 R51 | Q43-G47 PolarHBondContact O-N 3.18Å; E44-G47 PolarHBondContact O-N 2.91Å; L45-G47 VanDerWaalsContact C-N 3.33Å; L45-G47 PolarHBondContact O-N 3.47Å; G47-R51 WeakPolarHBondContact O-CG 3.35Å; G47-R51 PolarHBondContact O-N 3.14Å; G47-R51 VanDerWaalsContact O-N 3.14Å; G47-R51 PolarHBondContact O-NH1 3.27Å |
| 48 | Q | 97.6 | Very high | 96.2 | Very high | 85 Ų | 85 | 101.2 Ų | 101.2 | 40% | 0.397 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67.8 | -42.7 | 174.9 | -173.2 | 61.2 | 43.9 | 0 | 0 | 112 | E44 L45 L46 A50 R51 N52 | E44-Q48 PolarHBondContact O-N 3.31Å; L45-Q48 PolarHBondContact O-N 3.47Å; L46-Q48 VanDerWaalsContact C-N 3.33Å; L46-Q48 PolarHBondContact O-N 3.3Å; Q48-A50 VanDerWaalsContact C-N 3.34Å; Q48-A50 PolarHBondContact O-N 3.48Å; Q48-R51 PolarHBondContact O-N 2.9Å; Q48-N52 PolarHBondContact NE2-OD1 3.21Å; Q48-N52 VanDerWaalsContact O-CG 3.27Å; Q48-N52 PolarHBondContact O-N 2.93Å; Q48-N52 PolarHBondContact O-OD1 3.35Å |
| 49 | A | 97.3 | Very high | 96.2 | Very high | 46 Ų | 46 | 96.2 Ų | 96.2 | 38% | 0.38 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.1 | -44.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.3 | L45 L46 R51 N52 M53 | L45-A49 WeakPolarHBondContact O-CB 3.39Å; L45-A49 PolarHBondContact O-N 3.07Å; L46-A49 PolarHBondContact O-N 3.46Å; A49-R51 PolarHBondContact O-N 2.86Å; A49-N52 PolarHBondContact O-N 3.5Å; A49-M53 WeakPolarHBondContact O-CG 3.43Å; A49-M53 PolarHBondContact O-N 3.23Å |
| 50 | A | 97 | Very high | 96.2 | Very high | 53 Ų | 53 | 99.3 Ų | 99.3 | 44% | 0.438 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.2 | -45.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | L46 Q48 N52 M53 V54 | L46-A50 WeakPolarHBondContact O-CB 3.44Å; L46-A50 PolarHBondContact O-N 2.93Å; Q48-A50 VanDerWaalsContact C-N 3.34Å; Q48-A50 PolarHBondContact O-N 3.48Å; A50-N52 PolarHBondContact O-N 3.46Å; A50-M53 PolarHBondContact O-N 3.28Å; A50-V54 WeakPolarHBondContact O-CG2 3.5Å; A50-V54 PolarHBondContact O-N 2.97Å |
| 51 | R | 96.5 | Very high | 96.2 | Very high | 134 Ų | 134 | 101 Ų | 101 | 51% | 0.506 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -59.6 | -44.9 | 175.1 | -73.9 | -171.9 | -65.9 | -90.2 | 6.1 | 112.2 | G47 Q48 A49 M53 V54 I55 | G47-R51 WeakPolarHBondContact O-CG 3.35Å; G47-R51 PolarHBondContact O-N 3.14Å; G47-R51 VanDerWaalsContact O-N 3.14Å; G47-R51 PolarHBondContact O-NH1 3.27Å; Q48-R51 PolarHBondContact O-N 2.9Å; A49-R51 PolarHBondContact O-N 2.86Å; R51-M53 VanDerWaalsContact C-N 3.34Å; R51-M53 PolarHBondContact O-N 3.37Å; R51-V54 PolarHBondContact O-N 3.43Å; R51-I55 WeakPolarHBondContact O-CG1 3.46Å; R51-I55 PolarHBondContact O-N 2.82Å; R51-I55 VanDerWaalsContact O-N 3.07Å |
| 52 | N | 96.5 | Very high | 96.3 | Very high | 81 Ų | 81 | 97.8 Ų | 97.8 | 43% | 0.433 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.4 | -41.9 | 178.5 | -70 | -2.8 | 0 | 0 | 0 | 111.6 | Q48 A49 A50 I55 Q56 | Q48-N52 PolarHBondContact NE2-OD1 3.21Å; Q48-N52 VanDerWaalsContact O-CG 3.27Å; Q48-N52 PolarHBondContact O-N 2.93Å; Q48-N52 PolarHBondContact O-OD1 3.35Å; A49-N52 PolarHBondContact O-N 3.5Å; A50-N52 PolarHBondContact O-N 3.46Å; N52-I55 PolarHBondContact O-N 3.01Å; N52-Q56 WeakPolarHBondContact O-CB 3.44Å; N52-Q56 PolarHBondContact O-N 3.26Å |
| 53 | M | 95.7 | Very high | 96.3 | Very high | 135 Ų | 135 | 98.2 Ų | 98.2 | 67% | 0.665 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.8 | -41.8 | 178.6 | -73 | -178.7 | 70.1 | 0 | 0 | 112.2 | A49 A50 R51 Q56 E57 | A49-M53 WeakPolarHBondContact O-CG 3.43Å; A49-M53 PolarHBondContact O-N 3.23Å; A50-M53 PolarHBondContact O-N 3.28Å; R51-M53 VanDerWaalsContact C-N 3.34Å; R51-M53 PolarHBondContact O-N 3.37Å; M53-Q56 PolarHBondContact O-N 3.48Å; M53-E57 PolarHBondContact O-N 3.45Å |
| 54 | V | 94 | Very high | 96.4 | Very high | 96 Ų | 96 | 95.7 Ų | 95.7 | 58% | 0.582 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.1 | -44 | 175.8 | 172.1 | 0 | 0 | 0 | 0 | 111.2 | A50 R51 Q56 E57 | A50-V54 WeakPolarHBondContact O-CG2 3.5Å; A50-V54 PolarHBondContact O-N 2.97Å; R51-V54 PolarHBondContact O-N 3.43Å; V54-Q56 VanDerWaalsContact C-N 3.26Å; V54-Q56 PolarHBondContact O-N 3.16Å; V54-E57 WeakPolarHBondContact O-CB 3.42Å; V54-E57 PolarHBondContact O-N 2.98Å |
| 55 | I | 93 | Very high | 96.4 | Very high | 124 Ų | 124 | 91.8 Ų | 91.8 | 64% | 0.636 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63.8 | -35.9 | 176.7 | -66.7 | 165.8 | 0 | 0 | 0 | 110.9 | R51 N52 E57 | R51-I55 WeakPolarHBondContact O-CG1 3.46Å; R51-I55 PolarHBondContact O-N 2.82Å; R51-I55 VanDerWaalsContact O-N 3.07Å; N52-I55 PolarHBondContact O-N 3.01Å; I55-E57 VanDerWaalsContact C-N 3.32Å; I55-E57 PolarHBondContact O-N 3.05Å |
| 56 | Q | 96.8 | Very high | 96.5 | Very high | 120 Ų | 120 | 89.5 Ų | 89.5 | 56% | 0.561 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -72.7 | -24.5 | -179.6 | -168.2 | 168.8 | 9.1 | 0 | 0 | 113.1 | N52 M53 V54 D58 A59 I60 | N52-Q56 WeakPolarHBondContact O-CB 3.44Å; N52-Q56 PolarHBondContact O-N 3.26Å; M53-Q56 PolarHBondContact O-N 3.48Å; V54-Q56 VanDerWaalsContact C-N 3.26Å; V54-Q56 PolarHBondContact O-N 3.16Å; Q56-D58 VanDerWaalsContact C-N 3.35Å; Q56-D58 PolarHBondContact O-N 3.31Å; Q56-A59 PolarHBondContact O-N 3.44Å; Q56-I60 HydrophobicContact CG-CD1 4.2Å; Q56-I60 HydrophobicContact CG-CG1 4.45Å; Q56-I60 WeakPolarHBondContact O-CG1 3.34Å; Q56-I60 PolarHBondContact O-N 3.14Å |
| 57 | E | 96.1 | Very high | 96.5 | Very high | 119 Ų | 119 | 89.3 Ų | 89.3 | 56% | 0.556 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -57.5 | -45.5 | 177.7 | -173.7 | 172.8 | -154.1 | 0 | 0 | 112.1 | M53 V54 I55 A59 I60 L61 | M53-E57 PolarHBondContact O-N 3.45Å; V54-E57 WeakPolarHBondContact O-CB 3.42Å; V54-E57 PolarHBondContact O-N 2.98Å; I55-E57 VanDerWaalsContact C-N 3.32Å; I55-E57 PolarHBondContact O-N 3.05Å; E57-A59 PolarHBondContact O-N 3.5Å; E57-I60 WeakPolarHBondContact O-CB 3.33Å; E57-I60 PolarHBondContact O-N 3.06Å; E57-I60 VanDerWaalsContact O-N 3.14Å; E57-L61 WeakPolarHBondContact O-CG 3.32Å; E57-L61 PolarHBondContact O-N 3.36Å |
| 58 | D | 92.2 | Very high | 96.6 | Very high | 96 Ų | 96 | 94.4 Ų | 94.4 | 51% | 0.513 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.3 | -43.3 | 179 | -174.2 | 68 | 0 | 0 | 0 | 112.1 | Q56 I60 L61 H62 | Q56-D58 VanDerWaalsContact C-N 3.35Å; Q56-D58 PolarHBondContact O-N 3.31Å; D58-I60 VanDerWaalsContact C-N 3.28Å; D58-I60 PolarHBondContact O-N 3.23Å; D58-L61 PolarHBondContact O-N 3.3Å; D58-H62 PolarHBondContact O-CD2 3.42Å; D58-H62 VanDerWaalsContact O-CD2 3.3Å; D58-H62 PolarHBondContact O-N 2.92Å; D58-H62 IonicContact OD1-CD2 3.43Å; D58-H62 IonicContact OD1-NE2 2.77Å; D58-H62 IonicContact OD2-CD2 3.79Å; D58-H62 PolarHBondContact OD2-CD2 3.31Å; D58-H62 IonicContact OD2-NE2 3.7Å |
| 59 | A | 95.6 | Very high | 96.6 | Very high | 52 Ų | 52 | 96 Ų | 96 | 43% | 0.43 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.9 | -34.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q56 E57 S63 | Q56-A59 PolarHBondContact O-N 3.44Å; E57-A59 PolarHBondContact O-N 3.5Å; A59-S63 WeakPolarHBondContact O-CB 3.25Å; A59-S63 PolarHBondContact O-N 3.1Å; A59-S63 PolarHBondContact O-OG 3.25Å |
| 60 | I | 97.1 | Very high | 96.7 | Very high | 104 Ų | 104 | 99 Ų | 99 | 53% | 0.533 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.2 | -47.7 | 175.6 | -69.4 | 166.1 | 0 | 0 | 0 | 110.2 | Q56 E57 D58 H62 S63 E64 | Q56-I60 HydrophobicContact CG-CD1 4.2Å; Q56-I60 HydrophobicContact CG-CG1 4.45Å; Q56-I60 WeakPolarHBondContact O-CG1 3.34Å; Q56-I60 PolarHBondContact O-N 3.14Å; E57-I60 WeakPolarHBondContact O-CB 3.33Å; E57-I60 PolarHBondContact O-N 3.06Å; E57-I60 VanDerWaalsContact O-N 3.14Å; D58-I60 VanDerWaalsContact C-N 3.28Å; D58-I60 PolarHBondContact O-N 3.23Å; I60-H62 VanDerWaalsContact C-N 3.34Å; I60-H62 PolarHBondContact O-N 2.77Å; I60-S63 WeakPolarHBondContact O-CB 3.46Å; I60-S63 PolarHBondContact O-N 2.66Å; I60-S63 VanDerWaalsContact O-N 3.17Å; I60-E64 PolarHBondContact O-N 3.48Å |
| 61 | L | 96.6 | Very high | 96.7 | Very high | 98 Ų | 98 | 100 Ų | 100 | 51% | 0.513 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.6 | -43.2 | 178.6 | -68.1 | 173.4 | 0 | 0 | 0 | 111.8 | E57 D58 S63 E64 D65 | E57-L61 WeakPolarHBondContact O-CG 3.32Å; E57-L61 PolarHBondContact O-N 3.36Å; D58-L61 PolarHBondContact O-N 3.3Å; L61-S63 VanDerWaalsContact C-N 3.34Å; L61-S63 PolarHBondContact O-N 3.04Å; L61-E64 WeakPolarHBondContact O-CB 3.34Å; L61-E64 PolarHBondContact O-N 3.5Å; L61-D65 PolarHBondContact O-N 3.13Å; L61-D65 VanDerWaalsContact O-N 3.13Å |
| 62 | H | 97 | Very high | 96.8 | Very high | 113 Ų | 113 | 98.1 Ų | 98.1 | 52% | 0.523 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.2 | -36.6 | 175.3 | -80.5 | -54.3 | 0 | 0 | 0 | 113.3 | D58 I60 E64 D65 S66 | D58-H62 PolarHBondContact O-CD2 3.42Å; D58-H62 VanDerWaalsContact O-CD2 3.3Å; D58-H62 PolarHBondContact O-N 2.92Å; D58-H62 IonicContact OD1-CD2 3.43Å; D58-H62 IonicContact OD1-NE2 2.77Å; D58-H62 IonicContact OD2-CD2 3.79Å; D58-H62 PolarHBondContact OD2-CD2 3.31Å; D58-H62 IonicContact OD2-NE2 3.7Å; I60-H62 VanDerWaalsContact C-N 3.34Å; I60-H62 PolarHBondContact O-N 2.77Å; H62-E64 VanDerWaalsContact C-N 3.34Å; H62-D65 PolarHBondContact O-N 3.28Å; H62-S66 PolarHBondContact O-N 2.94Å; H62-S66 VanDerWaalsContact O-N 3.1Å; H62-S66 PolarHBondContact O-OG 3.43Å |
| 63 | S | 97.9 | Very high | 96.9 | Very high | 69 Ų | 69 | 99 Ų | 99 | 48% | 0.483 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.9 | -39.2 | 174.9 | -61.3 | 0 | 0 | 0 | 0 | 111.2 | A59 I60 L61 S66 L67 | A59-S63 WeakPolarHBondContact O-CB 3.25Å; A59-S63 PolarHBondContact O-N 3.1Å; A59-S63 PolarHBondContact O-OG 3.25Å; I60-S63 WeakPolarHBondContact O-CB 3.46Å; I60-S63 PolarHBondContact O-N 2.66Å; I60-S63 VanDerWaalsContact O-N 3.17Å; L61-S63 VanDerWaalsContact C-N 3.34Å; L61-S63 PolarHBondContact O-N 3.04Å; S63-S66 PolarHBondContact O-N 2.97Å; S63-L67 WeakPolarHBondContact O-CG 3.5Å; S63-L67 PolarHBondContact O-N 3.35Å |
| 64 | E | 98 | Very high | 97.1 | Very high | 90 Ų | 90 | 96 Ų | 96 | 42% | 0.421 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.6 | -46.2 | 176 | -166.2 | -157.5 | 142.9 | 0 | 0 | 111.9 | I60 L61 H62 S66 L67 R68 | I60-E64 PolarHBondContact O-N 3.48Å; L61-E64 WeakPolarHBondContact O-CB 3.34Å; L61-E64 PolarHBondContact O-N 3.5Å; H62-E64 VanDerWaalsContact C-N 3.34Å; E64-S66 VanDerWaalsContact C-N 3.31Å; E64-S66 PolarHBondContact O-N 3.44Å; E64-L67 PolarHBondContact O-N 2.72Å; E64-R68 PolarHBondContact O-N 3.27Å; E64-R68 IonicContact OE1-CZ 3.62Å; E64-R68 IonicContact OE1-NH1 3.54Å; E64-R68 PolarHBondContact OE1-NH1 2.94Å; E64-R68 IonicContact OE1-NH2 3.36Å; E64-R68 PolarHBondContact OE1-NH2 3.32Å |
| 65 | D | 97.9 | Very high | 97.3 | Very high | 60 Ų | 60 | 94 Ų | 94 | 32% | 0.321 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.7 | -41.4 | 176.1 | -178.4 | 58.6 | 0 | 0 | 0 | 112.1 | L61 H62 L67 R68 K69 | L61-D65 PolarHBondContact O-N 3.13Å; L61-D65 VanDerWaalsContact O-N 3.13Å; H62-D65 PolarHBondContact O-N 3.28Å; D65-L67 PolarHBondContact O-N 2.92Å; D65-R68 WeakPolarHBondContact O-CB 3.41Å; D65-R68 PolarHBondContact O-N 3.48Å; D65-K69 PolarHBondContact O-N 3.01Å; D65-K69 VanDerWaalsContact OD2-CE 3.25Å; D65-K69 WeakPolarHBondContact OD2-CE 3.35Å; D65-K69 IonicContact OD2-NZ 2.66Å; D65-K69 PolarHBondContact OD2-NZ 3.17Å |
| 66 | S | 98.3 | Very high | 97.6 | Very high | 62 Ų | 62 | 93.1 Ų | 93.1 | 43% | 0.434 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62 | -43 | 175.6 | -59.1 | 0 | 0 | 0 | 0 | 111.7 | H62 S63 E64 R68 K69 M70 | H62-S66 PolarHBondContact O-N 2.94Å; H62-S66 VanDerWaalsContact O-N 3.1Å; H62-S66 PolarHBondContact O-OG 3.43Å; S63-S66 PolarHBondContact O-N 2.97Å; E64-S66 VanDerWaalsContact C-N 3.31Å; E64-S66 PolarHBondContact O-N 3.44Å; S66-R68 PolarHBondContact O-N 3.1Å; S66-K69 PolarHBondContact O-N 3.49Å; S66-M70 WeakPolarHBondContact O-CG 3.46Å; S66-M70 PolarHBondContact O-N 3.22Å |
| 67 | L | 98.5 | Very high | 97.7 | Very high | 112 Ų | 112 | 92 Ų | 92 | 59% | 0.586 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64.4 | -38.2 | 175.6 | -73.1 | 172.9 | 0 | 0 | 0 | 112.3 | S63 E64 D65 M70 S71 | S63-L67 WeakPolarHBondContact O-CG 3.5Å; S63-L67 PolarHBondContact O-N 3.35Å; E64-L67 PolarHBondContact O-N 2.72Å; D65-L67 PolarHBondContact O-N 2.92Å; L67-M70 HydrophobicContact CD2-SD 4.37Å; L67-M70 PolarHBondContact O-N 2.93Å; L67-S71 PolarHBondContact O-N 3.35Å |
| 68 | R | 98.5 | Very high | 97.8 | Very high | 134 Ų | 134 | 91.3 Ų | 91.3 | 51% | 0.506 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.6 | -44.5 | 175.2 | -173.8 | 178.9 | -77.3 | 104.4 | 2.6 | 111.2 | E64 D65 S66 S71 I72 | E64-R68 PolarHBondContact O-N 3.27Å; E64-R68 IonicContact OE1-CZ 3.62Å; E64-R68 IonicContact OE1-NH1 3.54Å; E64-R68 PolarHBondContact OE1-NH1 2.94Å; E64-R68 IonicContact OE1-NH2 3.36Å; E64-R68 PolarHBondContact OE1-NH2 3.32Å; D65-R68 WeakPolarHBondContact O-CB 3.41Å; D65-R68 PolarHBondContact O-N 3.48Å; S66-R68 PolarHBondContact O-N 3.1Å; R68-S71 PolarHBondContact O-N 3.48Å; R68-I72 PolarHBondContact O-N 3.25Å |
| 69 | K | 98.5 | Very high | 98.1 | Very high | 117 Ų | 117 | 93.9 Ų | 93.9 | 51% | 0.509 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.6 | -43.6 | 173.7 | -71.3 | 165.9 | 177.4 | 159.7 | 0 | 111.8 | D65 S66 S71 I72 I73 | D65-K69 PolarHBondContact O-N 3.01Å; D65-K69 VanDerWaalsContact OD2-CE 3.25Å; D65-K69 WeakPolarHBondContact OD2-CE 3.35Å; D65-K69 IonicContact OD2-NZ 2.66Å; D65-K69 PolarHBondContact OD2-NZ 3.17Å; S66-K69 PolarHBondContact O-N 3.49Å; K69-S71 PolarHBondContact O-N 2.93Å; K69-I72 PolarHBondContact O-N 3.14Å; K69-I73 WeakPolarHBondContact O-CG1 3.34Å; K69-I73 PolarHBondContact O-N 2.85Å; K69-I73 VanDerWaalsContact O-N 3.1Å |
| 70 | M | 98.6 | Very high | 98.2 | Very high | 111 Ų | 111 | 96.9 Ų | 96.9 | 55% | 0.547 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.9 | -42 | 176.8 | -73 | 176.4 | 65.9 | 0 | 0 | 112.1 | S66 L67 I72 I73 T74 | S66-M70 WeakPolarHBondContact O-CG 3.46Å; S66-M70 PolarHBondContact O-N 3.22Å; L67-M70 HydrophobicContact CD2-SD 4.37Å; L67-M70 PolarHBondContact O-N 2.93Å; M70-I72 VanDerWaalsContact C-N 3.28Å; M70-I72 PolarHBondContact O-N 3.13Å; M70-I73 PolarHBondContact O-N 2.84Å; M70-I73 VanDerWaalsContact O-N 3.13Å; M70-T74 PolarHBondContact O-N 3.34Å; M70-T74 PolarHBondContact O-OG1 3.3Å; M70-T74 VanDerWaalsContact O-OG1 3.09Å |
| 71 | S | 98.5 | Very high | 98.3 | Very high | 74 Ų | 74 | 98.3 Ų | 98.3 | 52% | 0.517 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -58.6 | -41 | 177.6 | -176.9 | 0 | 0 | 0 | 0 | 111.8 | L67 R68 K69 T74 T75 | L67-S71 PolarHBondContact O-N 3.35Å; R68-S71 PolarHBondContact O-N 3.48Å; K69-S71 PolarHBondContact O-N 2.93Å; S71-T74 PolarHBondContact O-N 3.22Å; S71-T75 PolarHBondContact O-N 3.1Å; S71-T75 VanDerWaalsContact O-N 3.1Å; S71-T75 PolarHBondContact O-OG1 3.41Å |
| 72 | I | 98.4 | Very high | 98.4 | Very high | 93 Ų | 93 | 98.8 Ų | 98.8 | 48% | 0.477 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.9 | -46.7 | 175.8 | -66 | 165.8 | 0 | 0 | 0 | 110.4 | R68 K69 M70 T74 T75 H76 | R68-I72 PolarHBondContact O-N 3.25Å; K69-I72 PolarHBondContact O-N 3.14Å; M70-I72 VanDerWaalsContact C-N 3.28Å; M70-I72 PolarHBondContact O-N 3.13Å; I72-T74 VanDerWaalsContact C-N 3.31Å; I72-T74 PolarHBondContact O-N 3.41Å; I72-T75 WeakPolarHBondContact O-CB 3.17Å; I72-T75 PolarHBondContact O-N 3.47Å; I72-H76 PolarHBondContact O-CD2 2.93Å; I72-H76 PolarHBondContact O-N 3.29Å |
| 73 | I | 98.6 | Very high | 98.5 | Very high | 99 Ų | 99 | 95.7 Ų | 95.7 | 51% | 0.508 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -58.8 | -44.5 | 177.4 | -67.5 | 167.3 | 0 | 0 | 0 | 110.6 | K69 M70 T75 H76 L77 | K69-I73 WeakPolarHBondContact O-CG1 3.34Å; K69-I73 PolarHBondContact O-N 2.85Å; K69-I73 VanDerWaalsContact O-N 3.1Å; M70-I73 PolarHBondContact O-N 2.84Å; M70-I73 VanDerWaalsContact O-N 3.13Å; I73-T75 VanDerWaalsContact C-N 3.33Å; I73-T75 PolarHBondContact O-N 3.19Å; I73-H76 PolarHBondContact O-N 3.41Å; I73-L77 HydrophobicContact CG2-CD1 3.94Å; I73-L77 HydrophobicContact CG2-CG 4.28Å; I73-L77 WeakPolarHBondContact O-CG 3.5Å; I73-L77 PolarHBondContact O-N 3.47Å |
| 74 | T | 98.7 | Very high | 98.5 | Very high | 72 Ų | 72 | 97.3 Ų | 97.3 | 44% | 0.442 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -57.4 | -45.6 | 176.6 | -61.1 | 0 | 0 | 0 | 0 | 111.6 | M70 S71 I72 H76 L77 Q78 | M70-T74 PolarHBondContact O-N 3.34Å; M70-T74 PolarHBondContact O-OG1 3.3Å; M70-T74 VanDerWaalsContact O-OG1 3.09Å; S71-T74 PolarHBondContact O-N 3.22Å; I72-T74 VanDerWaalsContact C-N 3.31Å; I72-T74 PolarHBondContact O-N 3.41Å; T74-H76 PolarHBondContact O-N 3.19Å; T74-L77 PolarHBondContact O-N 2.96Å; T74-Q78 WeakPolarHBondContact O-CG 3.36Å; T74-Q78 PolarHBondContact O-N 3.09Å |
| 75 | T | 98.6 | Very high | 98.5 | Very high | 55 Ų | 55 | 99 Ų | 99 | 34% | 0.337 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.2 | -43.4 | 176.4 | -62.7 | 0 | 0 | 0 | 0 | 112 | S71 I72 I73 L77 Q78 Y79 | S71-T75 PolarHBondContact O-N 3.1Å; S71-T75 VanDerWaalsContact O-N 3.1Å; S71-T75 PolarHBondContact O-OG1 3.41Å; I72-T75 WeakPolarHBondContact O-CB 3.17Å; I72-T75 PolarHBondContact O-N 3.47Å; I73-T75 VanDerWaalsContact C-N 3.33Å; I73-T75 PolarHBondContact O-N 3.19Å; T75-L77 PolarHBondContact O-N 3.01Å; T75-Q78 WeakPolarHBondContact O-CB 3.49Å; T75-Q78 PolarHBondContact O-N 3.03Å; T75-Y79 HydrophobicContact CG2-CD2 3.78Å; T75-Y79 HydrophobicContact CG2-CE2 3.41Å; T75-Y79 VanDerWaalsContact CG2-CE2 3.41Å; T75-Y79 WeakPolarHBondContact O-CD2 3.49Å; T75-Y79 PolarHBondContact O-N 3.47Å |
| 76 | H | 98.8 | Very high | 98.5 | Very high | 106 Ų | 106 | 102.5 Ų | 102.5 | 49% | 0.491 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.3 | -41.3 | 175.9 | -76.1 | -69 | 0 | 0 | 0 | 112.7 | I72 I73 T74 Q78 Y79 Q80 | I72-H76 PolarHBondContact O-CD2 2.93Å; I72-H76 PolarHBondContact O-N 3.29Å; I73-H76 PolarHBondContact O-N 3.41Å; T74-H76 PolarHBondContact O-N 3.19Å; H76-Q78 VanDerWaalsContact C-N 3.31Å; H76-Q78 PolarHBondContact O-N 3.27Å; H76-Y79 PolarHBondContact O-N 2.96Å; H76-Q80 VanDerWaalsContact O-CG 3.3Å; H76-Q80 WeakPolarHBondContact O-CG 3.26Å; H76-Q80 PolarHBondContact O-N 2.9Å |
| 77 | L | 98.7 | Very high | 98.5 | Very high | 97 Ų | 97 | 104.7 Ų | 104.7 | 51% | 0.508 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.1 | -38.6 | 176.6 | -71.3 | 173.6 | 0 | 0 | 0 | 111.6 | I73 T74 T75 Q80 Q81 | I73-L77 HydrophobicContact CG2-CD1 3.94Å; I73-L77 HydrophobicContact CG2-CG 4.28Å; I73-L77 WeakPolarHBondContact O-CG 3.5Å; I73-L77 PolarHBondContact O-N 3.47Å; T74-L77 PolarHBondContact O-N 2.96Å; T75-L77 PolarHBondContact O-N 3.01Å; L77-Q80 PolarHBondContact O-N 2.94Å; L77-Q81 WeakPolarHBondContact O-CB 3.34Å; L77-Q81 PolarHBondContact O-N 3.37Å |
| 78 | Q | 98.6 | Very high | 98.5 | Very high | 103 Ų | 103 | 102.6 Ų | 102.6 | 48% | 0.481 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62 | -48.9 | 174.1 | -73.7 | 172.5 | -26 | 0 | 0 | 111.6 | T74 T75 H76 Q80 Q81 E82 | T74-Q78 WeakPolarHBondContact O-CG 3.36Å; T74-Q78 PolarHBondContact O-N 3.09Å; T75-Q78 WeakPolarHBondContact O-CB 3.49Å; T75-Q78 PolarHBondContact O-N 3.03Å; H76-Q78 VanDerWaalsContact C-N 3.31Å; H76-Q78 PolarHBondContact O-N 3.27Å; Q78-Q80 VanDerWaalsContact C-N 3.3Å; Q78-Q80 PolarHBondContact O-N 3.06Å; Q78-Q81 PolarHBondContact O-N 3.47Å; Q78-E82 WeakPolarHBondContact O-CG 3.3Å; Q78-E82 PolarHBondContact O-N 3.33Å |
| 79 | Y | 98.6 | Very high | 98.4 | Very high | 151 Ų | 151 | 101.9 Ų | 101.9 | 59% | 0.592 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -58.3 | -42.6 | 175.7 | -77.7 | -59 | 0 | 0 | 0 | 112.4 | T75 H76 E82 A83 | T75-Y79 HydrophobicContact CG2-CD2 3.78Å; T75-Y79 HydrophobicContact CG2-CE2 3.41Å; T75-Y79 VanDerWaalsContact CG2-CE2 3.41Å; T75-Y79 WeakPolarHBondContact O-CD2 3.49Å; T75-Y79 PolarHBondContact O-N 3.47Å; H76-Y79 PolarHBondContact O-N 2.96Å; Y79-E82 PolarHBondContact O-N 3.2Å; Y79-A83 PolarHBondContact O-N 3.36Å |
| 80 | Q | 98.6 | Very high | 98.4 | Very high | 115 Ų | 115 | 101.7 Ų | 101.7 | 54% | 0.537 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65 | -42.6 | 177.4 | -72.4 | 176.4 | 18.4 | 0 | 0 | 111.7 | H76 L77 Q78 E82 A83 I84 | H76-Q80 VanDerWaalsContact O-CG 3.3Å; H76-Q80 WeakPolarHBondContact O-CG 3.26Å; H76-Q80 PolarHBondContact O-N 2.9Å; L77-Q80 PolarHBondContact O-N 2.94Å; Q78-Q80 VanDerWaalsContact C-N 3.3Å; Q78-Q80 PolarHBondContact O-N 3.06Å; Q80-E82 PolarHBondContact O-N 3.28Å; Q80-A83 PolarHBondContact O-N 3.35Å; Q80-I84 VanDerWaalsContact O-CG1 3.26Å; Q80-I84 WeakPolarHBondContact O-CG1 3.37Å; Q80-I84 PolarHBondContact O-N 2.86Å |
| 81 | Q | 98.4 | Very high | 98.3 | Very high | 134 Ų | 134 | 99.8 Ų | 99.8 | 63% | 0.626 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60.6 | -45.2 | 176.8 | -179.1 | 179.7 | -9.6 | 0 | 0 | 111.6 | L77 Q78 A83 I84 Q85 | L77-Q81 WeakPolarHBondContact O-CB 3.34Å; L77-Q81 PolarHBondContact O-N 3.37Å; Q78-Q81 PolarHBondContact O-N 3.47Å; Q81-A83 VanDerWaalsContact C-N 3.35Å; Q81-A83 PolarHBondContact O-N 3.49Å; Q81-I84 PolarHBondContact O-N 2.91Å; Q81-Q85 WeakPolarHBondContact O-CB 3.41Å; Q81-Q85 PolarHBondContact O-N 3.34Å |
| 82 | E | 98.5 | Very high | 98.2 | Very high | 108 Ų | 108 | 102.2 Ų | 102.2 | 51% | 0.505 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.7 | -42 | 176.3 | -73 | -179.4 | -167.3 | 0 | 0 | 112.2 | Q78 Y79 Q80 Q85 K86 | Q78-E82 WeakPolarHBondContact O-CG 3.3Å; Q78-E82 PolarHBondContact O-N 3.33Å; Y79-E82 PolarHBondContact O-N 3.2Å; Q80-E82 PolarHBondContact O-N 3.28Å; E82-Q85 PolarHBondContact O-N 3.48Å; E82-K86 WeakPolarHBondContact O-CG 3.45Å; E82-K86 PolarHBondContact O-N 3.03Å |
| 83 | A | 98.4 | Very high | 98.1 | Very high | 47 Ų | 47 | 101.5 Ų | 101.5 | 39% | 0.388 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.5 | -43.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y79 Q80 Q81 K86 N87 | Y79-A83 PolarHBondContact O-N 3.36Å; Q80-A83 PolarHBondContact O-N 3.35Å; Q81-A83 VanDerWaalsContact C-N 3.35Å; Q81-A83 PolarHBondContact O-N 3.49Å; A83-K86 PolarHBondContact O-N 3.05Å; A83-N87 VanDerWaalsContact O-CG 3.26Å; A83-N87 PolarHBondContact O-N 3.48Å; A83-N87 PolarHBondContact O-ND2 3.43Å |
| 84 | I | 98.5 | Very high | 98 | Very high | 104 Ų | 104 | 100.4 Ų | 100.4 | 53% | 0.533 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.3 | -46.1 | 175.4 | -69.3 | 165.2 | 0 | 0 | 0 | 110.5 | Q80 Q81 K86 N87 V88 | Q80-I84 VanDerWaalsContact O-CG1 3.26Å; Q80-I84 WeakPolarHBondContact O-CG1 3.37Å; Q80-I84 PolarHBondContact O-N 2.86Å; Q81-I84 PolarHBondContact O-N 2.91Å; I84-K86 PolarHBondContact O-N 2.9Å; I84-N87 PolarHBondContact O-N 2.95Å; I84-N87 VanDerWaalsContact O-N 3.16Å; I84-V88 HydrophobicContact CG2-CG2 4.43Å; I84-V88 WeakPolarHBondContact O-CG2 3.4Å; I84-V88 PolarHBondContact O-N 3.16Å |
| 85 | Q | 98.3 | Very high | 97.9 | Very high | 125 Ų | 125 | 101.6 Ų | 101.6 | 58% | 0.584 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -58.3 | -46.8 | 179.5 | -169.5 | 74.2 | 23.5 | 0 | 0 | 111.6 | Q81 E82 N87 V88 E89 | Q81-Q85 WeakPolarHBondContact O-CB 3.41Å; Q81-Q85 PolarHBondContact O-N 3.34Å; E82-Q85 PolarHBondContact O-N 3.48Å; Q85-N87 VanDerWaalsContact C-N 3.33Å; Q85-N87 PolarHBondContact O-N 3.42Å; Q85-V88 PolarHBondContact O-N 2.8Å; Q85-E89 PolarHBondContact O-N 2.93Å; Q85-E89 VanDerWaalsContact O-N 3.08Å |
| 86 | K | 98.2 | Very high | 97.8 | Very high | 134 Ų | 134 | 103.5 Ų | 103.5 | 58% | 0.583 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -59.9 | -42.6 | 176.1 | -73.5 | 176.1 | -177.6 | 172.6 | 0 | 111.9 | E82 A83 I84 V88 E89 H90 | E82-K86 WeakPolarHBondContact O-CG 3.45Å; E82-K86 PolarHBondContact O-N 3.03Å; A83-K86 PolarHBondContact O-N 3.05Å; I84-K86 PolarHBondContact O-N 2.9Å; K86-V88 PolarHBondContact O-N 3.36Å; K86-E89 PolarHBondContact O-N 3.5Å; K86-H90 WeakPolarHBondContact O-CB 3.36Å; K86-H90 PolarHBondContact O-N 3.44Å |
| 87 | N | 97.8 | Very high | 97.6 | Very high | 107 Ų | 107 | 104.1 Ų | 104.1 | 57% | 0.572 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.1 | -37.6 | 179.2 | -71.8 | -12.8 | 0 | 0 | 0 | 112.6 | A83 I84 Q85 S91 | A83-N87 VanDerWaalsContact O-CG 3.26Å; A83-N87 PolarHBondContact O-N 3.48Å; A83-N87 PolarHBondContact O-ND2 3.43Å; I84-N87 PolarHBondContact O-N 2.95Å; I84-N87 VanDerWaalsContact O-N 3.16Å; Q85-N87 VanDerWaalsContact C-N 3.33Å; Q85-N87 PolarHBondContact O-N 3.42Å; N87-S91 WeakPolarHBondContact O-CB 3.48Å; N87-S91 PolarHBondContact O-N 3.48Å; N87-S91 PolarHBondContact O-OG 3.38Å |
| 88 | V | 97.9 | Very high | 97.5 | Very high | 68 Ų | 68 | 104.4 Ų | 104.4 | 41% | 0.412 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.6 | -45.6 | 174.9 | 169.5 | 0 | 0 | 0 | 0 | 110.9 | I84 Q85 K86 S91 K92 | I84-V88 HydrophobicContact CG2-CG2 4.43Å; I84-V88 WeakPolarHBondContact O-CG2 3.4Å; I84-V88 PolarHBondContact O-N 3.16Å; Q85-V88 PolarHBondContact O-N 2.8Å; K86-V88 PolarHBondContact O-N 3.36Å; V88-S91 PolarHBondContact O-N 3.06Å; V88-K92 WeakPolarHBondContact O-CG 3.43Å; V88-K92 PolarHBondContact O-N 3.4Å; V88-K92 VanDerWaalsContact O-N 3.1Å |
| 89 | E | 97.3 | Very high | 97.4 | Very high | 119 Ų | 119 | 106.6 Ų | 106.6 | 56% | 0.556 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.3 | -45.1 | 177 | -173.5 | 174.3 | -175.8 | 0 | 0 | 111.9 | Q85 K86 S91 K92 N93 | Q85-E89 PolarHBondContact O-N 2.93Å; Q85-E89 VanDerWaalsContact O-N 3.08Å; K86-E89 PolarHBondContact O-N 3.5Å; E89-S91 VanDerWaalsContact C-N 3.31Å; E89-S91 PolarHBondContact O-N 3.37Å; E89-K92 WeakPolarHBondContact O-CB 3.39Å; E89-K92 PolarHBondContact O-N 3.08Å; E89-N93 PolarHBondContact O-N 3.3Å; E89-N93 PolarHBondContact O-ND2 2.96Å |
| 90 | H | 97.4 | Very high | 97.2 | Very high | 113 Ų | 113 | 106.5 Ų | 106.5 | 52% | 0.523 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.3 | -41.7 | 176.5 | -170.4 | 76.4 | 0 | 0 | 0 | 112 | K86 K92 N93 L94 | K86-H90 WeakPolarHBondContact O-CB 3.36Å; K86-H90 PolarHBondContact O-N 3.44Å; H90-K92 VanDerWaalsContact C-N 3.34Å; H90-K92 PolarHBondContact O-N 3.48Å; H90-N93 PolarHBondContact O-N 2.96Å; H90-L94 WeakPolarHBondContact O-CG 3.49Å; H90-L94 PolarHBondContact O-N 2.98Å |
| 91 | S | 97.5 | Very high | 97 | Very high | 71 Ų | 71 | 107.6 Ų | 107.6 | 50% | 0.497 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.4 | -38.1 | 177.6 | -61.5 | 0 | 0 | 0 | 0 | 112.4 | N87 V88 E89 L94 Q95 | N87-S91 WeakPolarHBondContact O-CB 3.48Å; N87-S91 PolarHBondContact O-N 3.48Å; N87-S91 PolarHBondContact O-OG 3.38Å; V88-S91 PolarHBondContact O-N 3.06Å; E89-S91 VanDerWaalsContact C-N 3.31Å; E89-S91 PolarHBondContact O-N 3.37Å; S91-L94 PolarHBondContact O-N 3.32Å; S91-Q95 WeakPolarHBondContact O-CB 3.46Å; S91-Q95 PolarHBondContact O-N 3.21Å |
| 92 | K | 96.5 | Very high | 96.6 | Very high | 126 Ų | 126 | 108 Ų | 108 | 55% | 0.548 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.6 | -47.1 | 173.4 | -72.7 | 178.6 | 178.9 | 179.7 | 0 | 111.3 | V88 E89 H90 L94 Q95 D96 | V88-K92 WeakPolarHBondContact O-CG 3.43Å; V88-K92 PolarHBondContact O-N 3.4Å; V88-K92 VanDerWaalsContact O-N 3.1Å; E89-K92 WeakPolarHBondContact O-CB 3.39Å; E89-K92 PolarHBondContact O-N 3.08Å; H90-K92 VanDerWaalsContact C-N 3.34Å; H90-K92 PolarHBondContact O-N 3.48Å; K92-L94 VanDerWaalsContact C-N 3.33Å; K92-L94 PolarHBondContact O-N 3.49Å; K92-Q95 WeakPolarHBondContact O-CB 3.31Å; K92-Q95 PolarHBondContact O-N 3.09Å; K92-Q95 VanDerWaalsContact O-N 3.11Å; K92-D96 PolarHBondContact O-N 3.44Å |
| 93 | N | 96.6 | Very high | 94.8 | Very high | 78 Ų | 78 | 114.3 Ų | 114.3 | 42% | 0.417 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -59.2 | -44.5 | 178.2 | -66.5 | -21.5 | 0 | 0 | 0 | 111.7 | E89 H90 Q95 D96 Q97 | E89-N93 PolarHBondContact O-N 3.3Å; E89-N93 PolarHBondContact O-ND2 2.96Å; H90-N93 PolarHBondContact O-N 2.96Å; N93-Q95 VanDerWaalsContact C-N 3.34Å; N93-Q95 PolarHBondContact O-N 3.25Å; N93-D96 PolarHBondContact O-N 3.45Å; N93-Q97 VanDerWaalsContact O-CG 3.31Å; N93-Q97 WeakPolarHBondContact O-CG 3.33Å; N93-Q97 PolarHBondContact O-N 3.1Å |
| 94 | L | 96.6 | Very high | 94.6 | Very high | 75 Ų | 75 | 117.7 Ų | 117.7 | 39% | 0.393 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -62 | -41.5 | 175.2 | -72.7 | 176.4 | 0 | 0 | 0 | 112 | H90 S91 K92 D96 Q97 L98 | H90-L94 WeakPolarHBondContact O-CG 3.49Å; H90-L94 PolarHBondContact O-N 2.98Å; S91-L94 PolarHBondContact O-N 3.32Å; K92-L94 VanDerWaalsContact C-N 3.33Å; K92-L94 PolarHBondContact O-N 3.49Å; L94-D96 VanDerWaalsContact C-N 3.33Å; L94-D96 PolarHBondContact O-N 3.43Å; L94-Q97 PolarHBondContact O-N 2.95Å; L94-L98 WeakPolarHBondContact O-CB 3.42Å; L94-L98 PolarHBondContact O-N 2.93Å |
| 95 | Q | 96.6 | Very high | 94.4 | Very high | 98 Ų | 98 | 118.4 Ų | 118.4 | 46% | 0.458 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -62.3 | -41 | 177.1 | -170.2 | -178.1 | 8.8 | 0 | 0 | 111.6 | S91 K92 N93 L98 R99 | S91-Q95 WeakPolarHBondContact O-CB 3.46Å; S91-Q95 PolarHBondContact O-N 3.21Å; K92-Q95 WeakPolarHBondContact O-CB 3.31Å; K92-Q95 PolarHBondContact O-N 3.09Å; K92-Q95 VanDerWaalsContact O-N 3.11Å; N93-Q95 VanDerWaalsContact C-N 3.34Å; N93-Q95 PolarHBondContact O-N 3.25Å; Q95-L98 PolarHBondContact O-N 2.99Å; Q95-R99 VanDerWaalsContact NE2-NH2 3.17Å; Q95-R99 WeakPolarHBondContact O-CG 3.48Å; Q95-R99 PolarHBondContact O-N 3.18Å |
| 96 | D | 95.8 | Very high | 94.2 | Very high | 95 Ų | 95 | 118.1 Ų | 118.1 | 51% | 0.508 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -67.4 | -41 | 177.5 | -71.9 | -22.8 | 0 | 0 | 0 | 112 | K92 N93 L94 L98 R99 H100 | K92-D96 PolarHBondContact O-N 3.44Å; N93-D96 PolarHBondContact O-N 3.45Å; L94-D96 VanDerWaalsContact C-N 3.33Å; L94-D96 PolarHBondContact O-N 3.43Å; D96-L98 PolarHBondContact O-N 3.11Å; D96-R99 PolarHBondContact O-N 3.26Å; D96-H100 PolarHBondContact O-N 3.39Å |
| 97 | Q | 95.4 | Very high | 94 | Very high | 119 Ų | 119 | 117.1 Ų | 117.1 | 56% | 0.556 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -59.9 | -45.8 | 173.3 | -71.8 | 173.1 | 13.3 | 0 | 0 | 111.7 | N93 L94 R99 H100 L101 | N93-Q97 VanDerWaalsContact O-CG 3.31Å; N93-Q97 WeakPolarHBondContact O-CG 3.33Å; N93-Q97 PolarHBondContact O-N 3.1Å; L94-Q97 PolarHBondContact O-N 2.95Å; Q97-R99 VanDerWaalsContact C-N 3.33Å; Q97-R99 PolarHBondContact O-N 3.5Å; Q97-H100 PolarHBondContact O-N 3.37Å; Q97-L101 PolarHBondContact O-N 3.47Å; Q97-L101 VanDerWaalsContact O-N 3.09Å |
| 98 | L | 96.2 | Very high | 93.7 | Very high | 103 Ų | 103 | 117.8 Ų | 117.8 | 54% | 0.539 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -58.2 | -44.4 | 174.7 | -98.3 | 154.9 | 0 | 0 | 0 | 112 | L94 Q95 D96 H100 L101 L102 | L94-L98 WeakPolarHBondContact O-CB 3.42Å; L94-L98 PolarHBondContact O-N 2.93Å; Q95-L98 PolarHBondContact O-N 2.99Å; D96-L98 PolarHBondContact O-N 3.11Å; L98-H100 VanDerWaalsContact C-N 3.28Å; L98-H100 PolarHBondContact O-N 3.13Å; L98-L101 PolarHBondContact O-N 3.01Å; L98-L102 HydrophobicContact CD2-CD1 4.27Å; L98-L102 WeakPolarHBondContact O-CB 3.32Å; L98-L102 WeakPolarHBondContact O-CG 3.49Å; L98-L102 PolarHBondContact O-N 3.24Å; L98-L102 VanDerWaalsContact O-N 3.13Å |
| 99 | R | 95.8 | Very high | 93.5 | Very high | 148 Ų | 148 | 121.1 Ų | 121.1 | 56% | 0.558 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -62.8 | -34.2 | 177.1 | -73.8 | 173.4 | -175.1 | -119.4 | 4 | 112.7 | Q95 D96 Q97 | Q95-R99 VanDerWaalsContact NE2-NH2 3.17Å; Q95-R99 WeakPolarHBondContact O-CG 3.48Å; Q95-R99 PolarHBondContact O-N 3.18Å; D96-R99 PolarHBondContact O-N 3.26Å; Q97-R99 VanDerWaalsContact C-N 3.33Å; Q97-R99 PolarHBondContact O-N 3.5Å |
| 100 | H | 94.8 | Very high | 93.2 | Very high | 149 Ų | 149 | 121.2 Ų | 121.2 | 69% | 0.69 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -71.2 | -36.8 | 177 | -171 | -63.1 | 0 | 0 | 0 | 112 | D96 Q97 L98 L102 | D96-H100 PolarHBondContact O-N 3.39Å; Q97-H100 PolarHBondContact O-N 3.37Å; L98-H100 VanDerWaalsContact C-N 3.28Å; L98-H100 PolarHBondContact O-N 3.13Å; H100-L102 VanDerWaalsContact C-N 3.34Å |
| 101 | L | 93.8 | Very high | 92.8 | Very high | 139 Ų | 139 | 121.8 Ų | 121.8 | 73% | 0.728 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -74.2 | -24.5 | 179.1 | -70 | 173 | 0 | 0 | 0 | 113.5 | Q97 L98 | Q97-L101 PolarHBondContact O-N 3.47Å; Q97-L101 VanDerWaalsContact O-N 3.09Å; L98-L101 PolarHBondContact O-N 3.01Å |
| 102 | L | 90 | Very high | 92.5 | Very high | 143 Ų | 143 | 126.1 Ų | 126.1 | 75% | 0.749 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.6 | 8.3 | -178.1 | -66.5 | 171.6 | 0 | 0 | 0 | 113.8 | L98 H100 | L98-L102 HydrophobicContact CD2-CD1 4.27Å; L98-L102 WeakPolarHBondContact O-CB 3.32Å; L98-L102 WeakPolarHBondContact O-CG 3.49Å; L98-L102 PolarHBondContact O-N 3.24Å; L98-L102 VanDerWaalsContact O-N 3.13Å; H100-L102 VanDerWaalsContact C-N 3.34Å |
| 103 | K | 61.5 | Low | 92.1 | Very high | 240 Ų | 240 | 126.1 Ų | 126.1 | 100% | 1.043 | 60% | 0.604 | S | S | * | * | trans | -105.1 | 0 | 169.9 | -78.1 | -179.4 | 178.1 | -179.2 | 0 | 109.9 |
Retrieved 103 of 103 residues in 780.8 ms
(Link to these results)