| 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 | 40.3 | Very low | 49.2 | Very low | 235 Ų | 235 | 148.7 Ų | 148.7 | 100% | 1.158 | 79% | 0.788 | S | S | * | * | 0 | 107.1 | 0 | -173.8 | 169.6 | -179.6 | 0 | 0 | 106.5 | |||||
| 2 | H | 43.1 | Very low | 49.8 | Very low | 157 Ų | 157 | 148.7 Ų | 148.7 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | 43.2 | 112.2 | 170.3 | -71.4 | -72.3 | 0 | 0 | 0 | 119.6 | ||||
| 3 | M | 48 | Very low | 50.6 | Low | 138 Ų | 138 | 140.4 Ų | 140.4 | 68% | 0.68 | 76% | 0.755 | S | S | * | * | 81.4 | 142 | 80.7 | -84.8 | -179.2 | 141.6 | 0 | 0 | 112.3 | |||||
| 4 | E | 47.5 | Very low | 51.5 | Low | 151 Ų | 151 | 138.5 Ų | 138.5 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | cis | -158.4 | 176.2 | 2.9 | -138 | 160.6 | 164.1 | 0 | 0 | 113.4 | ||||
| 5 | T | 54 | Low | 52.4 | Low | 124 Ų | 124 | 138.1 Ų | 138.1 | 76% | 0.761 | 74% | 0.742 | S | S | * | * | trans | -92.6 | 122.9 | -175.4 | 46.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 6 | T | 44.9 | Very low | 53.2 | Low | 143 Ų | 143 | 136.7 Ų | 136.7 | 88% | 0.877 | 73% | 0.733 | S | S | * | * | trans | -157.5 | 89.3 | 159.9 | 51.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 7 | S | 48.5 | Very low | 54.1 | Low | 115 Ų | 115 | 135.1 Ų | 135.1 | 80% | 0.804 | 72% | 0.724 | S | S | * | * | trans | -159.9 | 37.1 | 176.6 | -164.4 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 8 | E | 49.9 | Very low | 55.1 | Low | 182 Ų | 182 | 136.5 Ų | 136.5 | 85% | 0.85 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -124.8 | 4 | -179.8 | -71.8 | -167.2 | 134.6 | 0 | 0 | 116 | ||
| 9 | H | 52.2 | Low | 55.8 | Low | 185 Ų | 185 | 132.4 Ų | 132.4 | 86% | 0.856 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -105.1 | -6.1 | 177.1 | -80.4 | 35.8 | 0 | 0 | 0 | 114.5 | ||
| 10 | G | 55.5 | Low | 56.6 | Low | 51 Ų | 51 | 128.7 Ų | 128.7 | 53% | 0.526 | 70% | 0.695 | S | S | . | * | S | Bend | trans | -81.6 | -30.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 11 | E | 56.7 | Low | 57.5 | Low | 155 Ų | 155 | 128.7 Ų | 128.7 | 72% | 0.724 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -79.3 | -37.5 | -168.1 | -63.2 | -172 | 136.8 | 0 | 0 | 113.5 | G13 N14 L15 | E11-G13 VanDerWaalsContact C-N 3.3Å; E11-G13 PolarHBondContact O-N 3.48Å; E11-N14 PolarHBondContact O-N 3.34Å; E11-L15 PolarHBondContact O-N 3.33Å |
| 12 | M | 56.8 | Low | 59.1 | Low | 148 Ų | 148 | 122.4 Ų | 122.4 | 73% | 0.729 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -64.1 | -33.8 | 179.9 | -167.9 | 70.9 | 81.8 | 0 | 0 | 112.5 | ||
| 13 | G | 60.4 | Low | 60.5 | Low | 41 Ų | 41 | 120.6 Ų | 120.6 | 42% | 0.423 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -67.1 | -40.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | E11 L15 L17 | E11-G13 VanDerWaalsContact C-N 3.3Å; E11-G13 PolarHBondContact O-N 3.48Å; G13-L15 PolarHBondContact O-N 2.95Å; G13-L17 PolarHBondContact O-N 3.46Å |
| 14 | N | 62.5 | Low | 61.8 | Low | 114 Ų | 114 | 116.6 Ų | 116.6 | 61% | 0.61 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -66.8 | -36.8 | -178.7 | -77.6 | -22.9 | 0 | 0 | 0 | 112.7 | E11 L17 F18 | E11-N14 PolarHBondContact O-N 3.34Å; N14-L17 PolarHBondContact O-N 3.33Å; N14-F18 PolarHBondContact O-N 3.39Å |
| 15 | L | 65 | Low | 63.2 | Low | 133 Ų | 133 | 115.7 Ų | 115.7 | 70% | 0.696 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -70.3 | -39.5 | -176.7 | -131.8 | 150 | 0 | 0 | 0 | 112 | E11 G13 S19 | E11-L15 PolarHBondContact O-N 3.33Å; G13-L15 PolarHBondContact O-N 2.95Å; L15-S19 PolarHBondContact O-N 2.9Å; L15-S19 VanDerWaalsContact O-N 3.08Å |
| 16 | L | 66.2 | Low | 64.2 | Low | 115 Ų | 115 | 112.6 Ų | 112.6 | 60% | 0.602 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -64.1 | -45 | 171.5 | -79.2 | 166 | 0 | 0 | 0 | 111.6 | F18 S19 A20 | L16-F18 PolarHBondContact O-N 2.91Å; L16-S19 PolarHBondContact O-N 3.45Å; L16-S19 PolarHBondContact O-OG 3.31Å; L16-A20 WeakPolarHBondContact O-CB 3.36Å; L16-A20 PolarHBondContact O-N 3.48Å |
| 17 | L | 69 | Low | 65.6 | Low | 110 Ų | 110 | 109.7 Ų | 109.7 | 58% | 0.576 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -59.2 | -43.8 | 177.9 | -120.1 | 160.1 | 0 | 0 | 0 | 112.2 | G13 N14 A20 M21 | G13-L17 PolarHBondContact O-N 3.46Å; N14-L17 PolarHBondContact O-N 3.33Å; L17-A20 PolarHBondContact O-N 2.88Å; L17-M21 WeakPolarHBondContact O-CG 3.29Å; L17-M21 PolarHBondContact O-N 3.49Å |
| 18 | F | 70.9 | Confident | 66.8 | Low | 160 Ų | 160 | 106.9 Ų | 106.9 | 70% | 0.702 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -65.5 | -42.7 | 177.2 | -164.4 | -94.9 | 0 | 0 | 0 | 112.2 | N14 L16 A20 M21 H22 | N14-F18 PolarHBondContact O-N 3.39Å; L16-F18 PolarHBondContact O-N 2.91Å; F18-A20 VanDerWaalsContact C-N 3.33Å; F18-A20 PolarHBondContact O-N 3.19Å; F18-M21 PolarHBondContact O-N 3.29Å; F18-H22 PolarHBondContact O-N 3.16Å |
| 19 | S | 68.6 | Low | 68.1 | Low | 59 Ų | 59 | 101.5 Ų | 101.5 | 41% | 0.413 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63 | -38.5 | 175.8 | 75.1 | 0 | 0 | 0 | 0 | 112.5 | L15 L16 M23 | L15-S19 PolarHBondContact O-N 2.9Å; L15-S19 VanDerWaalsContact O-N 3.08Å; L16-S19 PolarHBondContact O-N 3.45Å; L16-S19 PolarHBondContact O-OG 3.31Å; S19-M23 WeakPolarHBondContact O-CB 3.24Å; S19-M23 VanDerWaalsContact O-CG 3.31Å; S19-M23 WeakPolarHBondContact O-CG 3.3Å; S19-M23 PolarHBondContact O-N 3.41Å |
| 20 | A | 72.1 | Confident | 69.5 | Low | 58 Ų | 58 | 99 Ų | 99 | 48% | 0.479 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -68.7 | -41 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | L16 L17 F18 M23 A24 | L16-A20 WeakPolarHBondContact O-CB 3.36Å; L16-A20 PolarHBondContact O-N 3.48Å; L17-A20 PolarHBondContact O-N 2.88Å; F18-A20 VanDerWaalsContact C-N 3.33Å; F18-A20 PolarHBondContact O-N 3.19Å; A20-M23 PolarHBondContact O-N 3.23Å; A20-A24 WeakPolarHBondContact O-CB 3.39Å; A20-A24 PolarHBondContact O-N 3.44Å |
| 21 | M | 75.2 | Confident | 70.6 | Confident | 128 Ų | 128 | 99 Ų | 99 | 63% | 0.631 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -64 | -44.8 | 174.4 | -71.3 | -142 | 95.3 | 0 | 0 | 112.1 | L17 F18 M23 A24 E25 | L17-M21 WeakPolarHBondContact O-CG 3.29Å; L17-M21 PolarHBondContact O-N 3.49Å; F18-M21 PolarHBondContact O-N 3.29Å; M21-M23 VanDerWaalsContact C-N 3.33Å; M21-M23 PolarHBondContact O-N 2.91Å; M21-A24 CarbonylContact O-C 3.6Å; M21-A24 WeakPolarHBondContact O-CB 3.36Å; M21-A24 PolarHBondContact O-N 3.28Å; M21-A24 VanDerWaalsContact O-N 3.11Å; M21-E25 WeakPolarHBondContact O-CB 3.4Å; M21-E25 PolarHBondContact O-N 3.5Å |
| 22 | H | 73.3 | Confident | 71.7 | Confident | 104 Ų | 104 | 97.9 Ų | 97.9 | 48% | 0.481 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.9 | -35.8 | 178.2 | -171.6 | -79.6 | 0 | 0 | 0 | 112.5 | F18 E25 T26 | F18-H22 PolarHBondContact O-N 3.16Å; H22-E25 PolarHBondContact O-N 3.1Å; H22-T26 WeakPolarHBondContact O-CG2 3.22Å; H22-T26 PolarHBondContact O-N 3.13Å; H22-T26 PolarHBondContact O-OG1 2.87Å |
| 23 | M | 74.2 | Confident | 72.8 | Confident | 118 Ų | 118 | 92.6 Ų | 92.6 | 58% | 0.581 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -69.6 | -35.4 | 171.6 | -71.3 | -61.2 | -62.7 | 0 | 0 | 112.3 | S19 A20 M21 T26 T27 | S19-M23 WeakPolarHBondContact O-CB 3.24Å; S19-M23 VanDerWaalsContact O-CG 3.31Å; S19-M23 WeakPolarHBondContact O-CG 3.3Å; S19-M23 PolarHBondContact O-N 3.41Å; A20-M23 PolarHBondContact O-N 3.23Å; M21-M23 VanDerWaalsContact C-N 3.33Å; M21-M23 PolarHBondContact O-N 2.91Å; M23-T26 WeakPolarHBondContact CA-OG1 3.29Å; M23-T26 PolarHBondContact O-OG1 2.91Å; M23-T27 WeakPolarHBondContact O-CB 3.34Å; M23-T27 VanDerWaalsContact O-CG2 3.3Å; M23-T27 WeakPolarHBondContact O-CG2 3.39Å; M23-T27 PolarHBondContact O-N 3.48Å; M23-T27 PolarHBondContact O-OG1 3.15Å |
| 24 | A | 74.2 | Confident | 73.8 | Confident | 54 Ų | 54 | 93.4 Ų | 93.4 | 45% | 0.446 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -68.3 | -34.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A20 M21 T27 S28 | A20-A24 WeakPolarHBondContact O-CB 3.39Å; A20-A24 PolarHBondContact O-N 3.44Å; M21-A24 CarbonylContact O-C 3.6Å; M21-A24 WeakPolarHBondContact O-CB 3.36Å; M21-A24 PolarHBondContact O-N 3.28Å; M21-A24 VanDerWaalsContact O-N 3.11Å; A24-T27 WeakPolarHBondContact CA-OG1 3.22Å; A24-T27 PolarHBondContact O-OG1 2.78Å; A24-S28 VanDerWaalsContact O-CB 3.22Å; A24-S28 WeakPolarHBondContact O-CB 3.4Å; A24-S28 PolarHBondContact O-N 3.46Å; A24-S28 PolarHBondContact O-OG 2.85Å; A24-S28 VanDerWaalsContact O-OG 3.12Å |
| 25 | E | 77.7 | Confident | 74.8 | Confident | 133 Ų | 133 | 92.6 Ų | 92.6 | 62% | 0.621 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -76.7 | -38.6 | 179.1 | -170.6 | 165 | -156.7 | 0 | 0 | 112.5 | M21 H22 S28 S29 | M21-E25 WeakPolarHBondContact O-CB 3.4Å; M21-E25 PolarHBondContact O-N 3.5Å; H22-E25 PolarHBondContact O-N 3.1Å; E25-S28 PolarHBondContact O-OG 3.44Å; E25-S28 VanDerWaalsContact O-OG 3.13Å; E25-S29 WeakPolarHBondContact O-CB 3.46Å; E25-S29 PolarHBondContact O-N 2.99Å; E25-S29 PolarHBondContact O-OG 2.86Å |
| 26 | T | 74.1 | Confident | 75.6 | Confident | 58 Ų | 58 | 90.6 Ų | 90.6 | 36% | 0.356 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -69.5 | -35.4 | 172.2 | 50.2 | 0 | 0 | 0 | 0 | 112.3 | H22 M23 S29 L30 | H22-T26 WeakPolarHBondContact O-CG2 3.22Å; H22-T26 PolarHBondContact O-N 3.13Å; H22-T26 PolarHBondContact O-OG1 2.87Å; M23-T26 WeakPolarHBondContact CA-OG1 3.29Å; M23-T26 PolarHBondContact O-OG1 2.91Å; T26-S29 WeakPolarHBondContact CA-OG 3.26Å; T26-S29 PolarHBondContact O-OG 3.4Å; T26-S29 VanDerWaalsContact O-OG 3.14Å; T26-L30 VanDerWaalsContact O-CB 3.25Å; T26-L30 WeakPolarHBondContact O-CB 3.41Å; T26-L30 PolarHBondContact O-N 2.96Å; T26-L30 VanDerWaalsContact O-N 3.09Å |
| 27 | T | 73.7 | Confident | 76.3 | Confident | 82 Ų | 82 | 91.2 Ų | 91.2 | 50% | 0.503 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -74.8 | -35.5 | 174.5 | 51.3 | 0 | 0 | 0 | 0 | 113.2 | M23 A24 A31 | M23-T27 WeakPolarHBondContact O-CB 3.34Å; M23-T27 VanDerWaalsContact O-CG2 3.3Å; M23-T27 WeakPolarHBondContact O-CG2 3.39Å; M23-T27 PolarHBondContact O-N 3.48Å; M23-T27 PolarHBondContact O-OG1 3.15Å; A24-T27 WeakPolarHBondContact CA-OG1 3.22Å; A24-T27 PolarHBondContact O-OG1 2.78Å; T27-A31 VanDerWaalsContact O-CB 3.23Å; T27-A31 WeakPolarHBondContact O-CB 3.29Å; T27-A31 PolarHBondContact O-N 3.45Å |
| 28 | S | 75.2 | Confident | 77 | Confident | 56 Ų | 56 | 91.3 Ų | 91.3 | 39% | 0.392 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -69.9 | -41.3 | 175.9 | 69.6 | 0 | 0 | 0 | 0 | 112.3 | A24 E25 A31 H32 | A24-S28 VanDerWaalsContact O-CB 3.22Å; A24-S28 WeakPolarHBondContact O-CB 3.4Å; A24-S28 PolarHBondContact O-N 3.46Å; A24-S28 PolarHBondContact O-OG 2.85Å; A24-S28 VanDerWaalsContact O-OG 3.12Å; E25-S28 PolarHBondContact O-OG 3.44Å; E25-S28 VanDerWaalsContact O-OG 3.13Å; S28-A31 PolarHBondContact O-N 2.88Å; S28-H32 WeakPolarHBondContact O-CB 3.33Å; S28-H32 PolarHBondContact O-CD2 2.96Å; S28-H32 PolarHBondContact O-N 3.43Å |
| 29 | S | 76.6 | Confident | 77.5 | Confident | 69 Ų | 69 | 85 Ų | 85 | 48% | 0.483 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.7 | -40.8 | 174.3 | 53.3 | 0 | 0 | 0 | 0 | 112.3 | E25 T26 H32 G33 | E25-S29 WeakPolarHBondContact O-CB 3.46Å; E25-S29 PolarHBondContact O-N 2.99Å; E25-S29 PolarHBondContact O-OG 2.86Å; T26-S29 WeakPolarHBondContact CA-OG 3.26Å; T26-S29 PolarHBondContact O-OG 3.4Å; T26-S29 VanDerWaalsContact O-OG 3.14Å; S29-H32 PolarHBondContact O-N 3.44Å; S29-G33 PolarHBondContact O-N 2.88Å |
| 30 | L | 80.8 | Confident | 77.9 | Confident | 132 Ų | 132 | 85.3 Ų | 85.3 | 69% | 0.691 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.7 | -40.2 | 173.3 | -168.6 | 72.6 | 0 | 0 | 0 | 111.9 | T26 G33 A34 | T26-L30 VanDerWaalsContact O-CB 3.25Å; T26-L30 WeakPolarHBondContact O-CB 3.41Å; T26-L30 PolarHBondContact O-N 2.96Å; T26-L30 VanDerWaalsContact O-N 3.09Å; L30-G33 PolarHBondContact O-N 3.36Å; L30-A34 WeakPolarHBondContact O-CB 3.27Å; L30-A34 PolarHBondContact O-N 2.8Å |
| 31 | A | 78.7 | Confident | 78.3 | Confident | 52 Ų | 52 | 85.2 Ų | 85.2 | 43% | 0.43 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.8 | -43.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | T27 S28 A34 V35 | T27-A31 VanDerWaalsContact O-CB 3.23Å; T27-A31 WeakPolarHBondContact O-CB 3.29Å; T27-A31 PolarHBondContact O-N 3.45Å; S28-A31 PolarHBondContact O-N 2.88Å; A31-A34 PolarHBondContact O-N 3.13Å; A31-V35 WeakPolarHBondContact O-CB 3.45Å; A31-V35 VanDerWaalsContact O-CG2 3.28Å; A31-V35 WeakPolarHBondContact O-CG2 3.36Å; A31-V35 PolarHBondContact O-N 2.74Å |
| 32 | H | 80.8 | Confident | 78.7 | Confident | 131 Ų | 131 | 84 Ų | 84 | 61% | 0.606 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63 | -40.1 | 173.1 | -81.6 | -60.7 | 0 | 0 | 0 | 112.3 | S28 S29 V35 T36 | S28-H32 WeakPolarHBondContact O-CB 3.33Å; S28-H32 PolarHBondContact O-CD2 2.96Å; S28-H32 PolarHBondContact O-N 3.43Å; S29-H32 PolarHBondContact O-N 3.44Å; H32-V35 PolarHBondContact O-N 3.46Å; H32-T36 WeakPolarHBondContact O-CB 3.41Å; H32-T36 WeakPolarHBondContact O-CG2 3.46Å; H32-T36 PolarHBondContact O-N 3.48Å; H32-T36 PolarHBondContact O-OG1 3.01Å |
| 33 | G | 79.2 | Confident | 79.1 | Confident | 37 Ų | 37 | 84.7 Ų | 84.7 | 38% | 0.381 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.7 | -45.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | S29 L30 T36 L37 | S29-G33 PolarHBondContact O-N 2.88Å; L30-G33 PolarHBondContact O-N 3.36Å; G33-T36 WeakPolarHBondContact CA-OG1 3.29Å; G33-T36 PolarHBondContact O-OG1 3.06Å; G33-T36 VanDerWaalsContact O-OG1 3.05Å; G33-L37 WeakPolarHBondContact O-CB 3.34Å; G33-L37 PolarHBondContact O-N 3.32Å |
| 34 | A | 80.8 | Confident | 79.3 | Confident | 59 Ų | 59 | 82 Ų | 82 | 49% | 0.488 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.5 | -42.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L30 A31 L37 L38 | L30-A34 WeakPolarHBondContact O-CB 3.27Å; L30-A34 PolarHBondContact O-N 2.8Å; A31-A34 PolarHBondContact O-N 3.13Å; A34-L37 PolarHBondContact O-N 3.5Å; A34-L38 VanDerWaalsContact O-CB 3.27Å; A34-L38 WeakPolarHBondContact O-CB 3.38Å; A34-L38 PolarHBondContact O-N 3.37Å |
| 35 | V | 84.4 | Confident | 79.5 | Confident | 96 Ų | 96 | 84 Ų | 84 | 58% | 0.582 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -67.9 | -38.4 | 178.5 | 170.2 | 0 | 0 | 0 | 0 | 111.7 | A31 H32 G39 | A31-V35 WeakPolarHBondContact O-CB 3.45Å; A31-V35 VanDerWaalsContact O-CG2 3.28Å; A31-V35 WeakPolarHBondContact O-CG2 3.36Å; A31-V35 PolarHBondContact O-N 2.74Å; H32-V35 PolarHBondContact O-N 3.46Å; V35-G39 PolarHBondContact O-N 2.8Å |
| 36 | T | 81.2 | Confident | 79.6 | Confident | 92 Ų | 92 | 83.1 Ų | 83.1 | 56% | 0.564 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -71.3 | -37.5 | 176 | 49 | 0 | 0 | 0 | 0 | 112.5 | H32 G33 S40 | H32-T36 WeakPolarHBondContact O-CB 3.41Å; H32-T36 WeakPolarHBondContact O-CG2 3.46Å; H32-T36 PolarHBondContact O-N 3.48Å; H32-T36 PolarHBondContact O-OG1 3.01Å; G33-T36 WeakPolarHBondContact CA-OG1 3.29Å; G33-T36 PolarHBondContact O-OG1 3.06Å; G33-T36 VanDerWaalsContact O-OG1 3.05Å; T36-S40 WeakPolarHBondContact O-CB 3.47Å; T36-S40 PolarHBondContact O-N 2.86Å; T36-S40 PolarHBondContact O-OG 2.92Å |
| 37 | L | 82 | Confident | 79.9 | Confident | 128 Ų | 128 | 82.1 Ų | 82.1 | 67% | 0.67 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.4 | -44.5 | 171.7 | -165.4 | 80.9 | 0 | 0 | 0 | 111.6 | G33 A34 S40 A41 | G33-L37 WeakPolarHBondContact O-CB 3.34Å; G33-L37 PolarHBondContact O-N 3.32Å; A34-L37 PolarHBondContact O-N 3.5Å; L37-S40 WeakPolarHBondContact CA-OG 3.3Å; L37-S40 PolarHBondContact O-N 2.92Å; L37-S40 PolarHBondContact O-OG 3.48Å; L37-A41 VanDerWaalsContact O-CB 3.32Å; L37-A41 WeakPolarHBondContact O-CB 3.23Å; L37-A41 PolarHBondContact O-N 3.33Å |
| 38 | L | 84.2 | Confident | 80.3 | Confident | 111 Ų | 111 | 83 Ų | 83 | 58% | 0.581 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66.5 | -41.6 | 177.8 | -173 | 64.4 | 0 | 0 | 0 | 111.8 | A34 A41 L42 | A34-L38 VanDerWaalsContact O-CB 3.27Å; A34-L38 WeakPolarHBondContact O-CB 3.38Å; A34-L38 PolarHBondContact O-N 3.37Å; L38-A41 PolarHBondContact O-N 3.44Å; L38-L42 HydrophobicContact CG-CD1 4.26Å; L38-L42 WeakPolarHBondContact O-CB 3.37Å; L38-L42 VanDerWaalsContact O-CG 3.3Å; L38-L42 WeakPolarHBondContact O-CG 3.23Å; L38-L42 PolarHBondContact O-N 2.94Å |
| 39 | G | 80.4 | Confident | 80.6 | Confident | 28 Ų | 28 | 85.3 Ų | 85.3 | 29% | 0.289 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.4 | -43.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | V35 L42 L43 | V35-G39 PolarHBondContact O-N 2.8Å; G39-L42 PolarHBondContact O-N 3.48Å; G39-L43 WeakPolarHBondContact O-CG 3.44Å; G39-L43 PolarHBondContact O-N 3.05Å |
| 40 | S | 78.1 | Confident | 81.1 | Confident | 65 Ų | 65 | 88.1 Ų | 88.1 | 46% | 0.455 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.9 | -35.8 | 175.4 | 52.4 | 0 | 0 | 0 | 0 | 112.8 | T36 L37 A44 | T36-S40 WeakPolarHBondContact O-CB 3.47Å; T36-S40 PolarHBondContact O-N 2.86Å; T36-S40 PolarHBondContact O-OG 2.92Å; L37-S40 WeakPolarHBondContact CA-OG 3.3Å; L37-S40 PolarHBondContact O-N 2.92Å; L37-S40 PolarHBondContact O-OG 3.48Å; S40-A44 WeakPolarHBondContact O-CB 3.21Å; S40-A44 PolarHBondContact O-N 3.24Å |
| 41 | A | 79.5 | Confident | 81.1 | Confident | 56 Ų | 56 | 84.5 Ų | 84.5 | 46% | 0.463 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.5 | -39.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L37 L38 A44 L45 | L37-A41 VanDerWaalsContact O-CB 3.32Å; L37-A41 WeakPolarHBondContact O-CB 3.23Å; L37-A41 PolarHBondContact O-N 3.33Å; L38-A41 PolarHBondContact O-N 3.44Å; A41-A44 PolarHBondContact O-N 2.96Å; A41-L45 WeakPolarHBondContact O-CB 3.39Å; A41-L45 PolarHBondContact O-N 3.37Å |
| 42 | L | 83.1 | Confident | 81.3 | Confident | 102 Ų | 102 | 87.2 Ų | 87.2 | 53% | 0.534 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66 | -44.9 | 175.9 | -74.5 | 168.9 | 0 | 0 | 0 | 111.8 | L38 G39 A44 L45 E46 | L38-L42 HydrophobicContact CG-CD1 4.26Å; L38-L42 WeakPolarHBondContact O-CB 3.37Å; L38-L42 VanDerWaalsContact O-CG 3.3Å; L38-L42 WeakPolarHBondContact O-CG 3.23Å; L38-L42 PolarHBondContact O-N 2.94Å; G39-L42 PolarHBondContact O-N 3.48Å; L42-A44 VanDerWaalsContact C-N 3.33Å; L42-A44 PolarHBondContact O-N 3.49Å; L42-L45 PolarHBondContact O-N 3.25Å; L42-E46 WeakPolarHBondContact O-CB 3.39Å; L42-E46 PolarHBondContact O-N 3.14Å |
| 43 | L | 81.6 | Confident | 81.5 | Confident | 119 Ų | 119 | 86.9 Ų | 86.9 | 62% | 0.623 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.7 | -38.6 | 174.9 | -71 | 168.7 | 0 | 0 | 0 | 112.1 | G39 E46 G47 | G39-L43 WeakPolarHBondContact O-CG 3.44Å; G39-L43 PolarHBondContact O-N 3.05Å; L43-E46 PolarHBondContact O-N 3.09Å; L43-G47 PolarHBondContact O-N 2.83Å |
| 44 | A | 78.9 | Confident | 81.8 | Confident | 61 Ų | 61 | 91.3 Ų | 91.3 | 50% | 0.504 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66 | -38.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | S40 A41 L42 L48 | S40-A44 WeakPolarHBondContact O-CB 3.21Å; S40-A44 PolarHBondContact O-N 3.24Å; A41-A44 PolarHBondContact O-N 2.96Å; L42-A44 VanDerWaalsContact C-N 3.33Å; L42-A44 PolarHBondContact O-N 3.49Å; A44-L48 WeakPolarHBondContact O-CB 3.45Å; A44-L48 PolarHBondContact O-N 3.18Å |
| 45 | L | 78.7 | Confident | 82.1 | Confident | 97 Ų | 97 | 93 Ų | 93 | 51% | 0.508 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -69 | -39.1 | 175.9 | -173 | 67.2 | 0 | 0 | 0 | 111.9 | A41 L42 L48 L49 | A41-L45 WeakPolarHBondContact O-CB 3.39Å; A41-L45 PolarHBondContact O-N 3.37Å; L42-L45 PolarHBondContact O-N 3.25Å; L45-L48 WeakPolarHBondContact O-CB 3.28Å; L45-L48 PolarHBondContact O-N 2.84Å; L45-L49 HydrophobicContact CG-CD1 4.32Å; L45-L49 WeakPolarHBondContact O-CG 3.26Å; L45-L49 PolarHBondContact O-N 3.25Å |
| 46 | E | 79.7 | Confident | 82.1 | Confident | 115 Ų | 115 | 90.2 Ų | 90.2 | 54% | 0.537 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62 | -49.8 | 174.7 | -174 | 167.5 | -155.8 | 0 | 0 | 110.9 | L42 L43 L48 L49 E50 | L42-E46 WeakPolarHBondContact O-CB 3.39Å; L42-E46 PolarHBondContact O-N 3.14Å; L43-E46 PolarHBondContact O-N 3.09Å; E46-L48 VanDerWaalsContact C-N 3.29Å; E46-L48 PolarHBondContact O-N 2.96Å; E46-L49 PolarHBondContact O-N 2.95Å; E46-L49 VanDerWaalsContact O-N 3.1Å; E46-E50 PolarHBondContact O-N 3.26Å |
| 47 | G | 80.3 | Confident | 82.4 | Confident | 37 Ų | 37 | 92.9 Ų | 92.9 | 38% | 0.381 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.6 | -34.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | L43 S51 | L43-G47 PolarHBondContact O-N 2.83Å; G47-S51 WeakPolarHBondContact O-CB 3.45Å; G47-S51 PolarHBondContact O-N 3.37Å |
| 48 | L | 81.9 | Confident | 82.6 | Confident | 99 Ų | 99 | 92.3 Ų | 92.3 | 52% | 0.518 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.5 | -45.2 | 172 | -108.4 | 162.1 | 0 | 0 | 0 | 111.9 | A44 L45 E46 S51 L52 | A44-L48 WeakPolarHBondContact O-CB 3.45Å; A44-L48 PolarHBondContact O-N 3.18Å; L45-L48 WeakPolarHBondContact O-CB 3.28Å; L45-L48 PolarHBondContact O-N 2.84Å; E46-L48 VanDerWaalsContact C-N 3.29Å; E46-L48 PolarHBondContact O-N 2.96Å; L48-S51 PolarHBondContact O-N 3.29Å; L48-S51 PolarHBondContact O-OG 3.5Å; L48-L52 WeakPolarHBondContact O-CB 3.22Å; L48-L52 WeakPolarHBondContact O-CG 3.26Å; L48-L52 PolarHBondContact O-N 3.11Å |
| 49 | L | 81.9 | Confident | 82.2 | Confident | 106 Ų | 106 | 90 Ų | 90 | 56% | 0.555 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.6 | -39 | 176.9 | -73.8 | 166.8 | 0 | 0 | 0 | 112.2 | L45 E46 L52 K53 | L45-L49 HydrophobicContact CG-CD1 4.32Å; L45-L49 WeakPolarHBondContact O-CG 3.26Å; L45-L49 PolarHBondContact O-N 3.25Å; E46-L49 PolarHBondContact O-N 2.95Å; E46-L49 VanDerWaalsContact O-N 3.1Å; L49-L52 PolarHBondContact O-N 3.46Å; L49-K53 VanDerWaalsContact O-CB 3.31Å; L49-K53 WeakPolarHBondContact O-CB 3.49Å; L49-K53 PolarHBondContact O-N 3.09Å |
| 50 | E | 87.3 | Confident | 82.3 | Confident | 127 Ų | 127 | 94.1 Ų | 94.1 | 59% | 0.593 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.7 | -43.9 | 172.2 | -70.1 | -162.8 | 137.5 | 0 | 0 | 111.9 | E46 L52 K53 M54 | E46-E50 PolarHBondContact O-N 3.26Å; E50-L52 PolarHBondContact O-N 3.31Å; E50-K53 WeakPolarHBondContact O-CB 3.19Å; E50-K53 PolarHBondContact O-N 3.27Å; E50-M54 WeakPolarHBondContact O-CG 3.46Å; E50-M54 PolarHBondContact O-N 3.41Å |
| 51 | S | 80 | Confident | 82.3 | Confident | 57 Ų | 57 | 95.3 Ų | 95.3 | 40% | 0.399 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.4 | -41.6 | 176.7 | 78.1 | 0 | 0 | 0 | 0 | 112.2 | G47 L48 M54 V55 | G47-S51 WeakPolarHBondContact O-CB 3.45Å; G47-S51 PolarHBondContact O-N 3.37Å; L48-S51 PolarHBondContact O-N 3.29Å; L48-S51 PolarHBondContact O-OG 3.5Å; S51-M54 PolarHBondContact O-N 2.9Å; S51-V55 WeakPolarHBondContact O-CG2 3.28Å; S51-V55 PolarHBondContact O-N 2.86Å |
| 52 | L | 82.4 | Confident | 82.3 | Confident | 108 Ų | 108 | 97.1 Ų | 97.1 | 57% | 0.565 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.7 | -37.9 | 175.3 | -74.5 | 169.8 | 0 | 0 | 0 | 112 | L48 L49 E50 V55 G56 | L48-L52 WeakPolarHBondContact O-CB 3.22Å; L48-L52 WeakPolarHBondContact O-CG 3.26Å; L48-L52 PolarHBondContact O-N 3.11Å; L49-L52 PolarHBondContact O-N 3.46Å; E50-L52 PolarHBondContact O-N 3.31Å; L52-V55 PolarHBondContact O-N 2.97Å; L52-G56 PolarHBondContact O-N 3.25Å |
| 53 | K | 86.8 | Confident | 81.9 | Confident | 125 Ų | 125 | 98 Ų | 98 | 54% | 0.543 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.1 | -42.5 | 174.1 | -175.8 | -179.6 | -178.1 | -177.3 | 0 | 111.4 | L49 E50 G56 Y57 | L49-K53 VanDerWaalsContact O-CB 3.31Å; L49-K53 WeakPolarHBondContact O-CB 3.49Å; L49-K53 PolarHBondContact O-N 3.09Å; E50-K53 WeakPolarHBondContact O-CB 3.19Å; E50-K53 PolarHBondContact O-N 3.27Å; K53-G56 PolarHBondContact O-N 3.41Å; K53-Y57 HydrophobicContact CD-CE2 4.2Å; K53-Y57 WeakPolarHBondContact CE-OH 3.23Å; K53-Y57 HydrophobicContact CG-CD2 4.13Å; K53-Y57 HydrophobicContact CG-CE2 3.59Å; K53-Y57 VanDerWaalsContact O-CD2 3.23Å; K53-Y57 WeakPolarHBondContact O-CD2 3.41Å; K53-Y57 PolarHBondContact O-N 3.02Å |
| 54 | M | 85.1 | Confident | 81.5 | Confident | 130 Ų | 130 | 96.2 Ų | 96.2 | 64% | 0.64 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -66.4 | -42.3 | 175.9 | -69.5 | -61.4 | -72.4 | 0 | 0 | 112.5 | E50 S51 G56 Y57 L58 | E50-M54 WeakPolarHBondContact O-CG 3.46Å; E50-M54 PolarHBondContact O-N 3.41Å; S51-M54 PolarHBondContact O-N 2.9Å; M54-G56 VanDerWaalsContact C-N 3.31Å; M54-G56 PolarHBondContact O-N 2.84Å; M54-Y57 PolarHBondContact O-N 2.78Å; M54-L58 WeakPolarHBondContact O-CB 3.39Å; M54-L58 PolarHBondContact O-N 3.29Å |
| 55 | V | 87.3 | Confident | 81.3 | Confident | 93 Ų | 93 | 99.8 Ų | 99.8 | 56% | 0.564 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.2 | -39.4 | 172.2 | 170.1 | 0 | 0 | 0 | 0 | 111.2 | S51 L52 L58 S59 | S51-V55 WeakPolarHBondContact O-CG2 3.28Å; S51-V55 PolarHBondContact O-N 2.86Å; L52-V55 PolarHBondContact O-N 2.97Å; V55-L58 PolarHBondContact O-N 3.16Å; V55-S59 VanDerWaalsContact O-CB 3.31Å; V55-S59 WeakPolarHBondContact O-CB 3.41Å; V55-S59 PolarHBondContact O-N 3.26Å |
| 56 | G | 83.7 | Confident | 80.9 | Confident | 39 Ų | 39 | 96.6 Ų | 96.6 | 40% | 0.402 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.5 | -49.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L52 K53 M54 L58 S59 M60 | L52-G56 PolarHBondContact O-N 3.25Å; K53-G56 PolarHBondContact O-N 3.41Å; M54-G56 VanDerWaalsContact C-N 3.31Å; M54-G56 PolarHBondContact O-N 2.84Å; G56-L58 PolarHBondContact O-N 2.86Å; G56-S59 PolarHBondContact O-N 3.3Å; G56-M60 WeakPolarHBondContact O-CB 3.28Å; G56-M60 PolarHBondContact O-N 3.47Å |
| 57 | Y | 88.4 | Confident | 80.9 | Confident | 147 Ų | 147 | 96.8 Ų | 96.8 | 58% | 0.576 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.4 | -41.7 | 175.6 | -71.4 | -51.7 | 0 | 0 | 0 | 112.7 | K53 M54 M60 H61 | K53-Y57 HydrophobicContact CD-CE2 4.2Å; K53-Y57 WeakPolarHBondContact CE-OH 3.23Å; K53-Y57 HydrophobicContact CG-CD2 4.13Å; K53-Y57 HydrophobicContact CG-CE2 3.59Å; K53-Y57 VanDerWaalsContact O-CD2 3.23Å; K53-Y57 WeakPolarHBondContact O-CD2 3.41Å; K53-Y57 PolarHBondContact O-N 3.02Å; M54-Y57 PolarHBondContact O-N 2.78Å; Y57-M60 PolarHBondContact O-N 2.8Å; Y57-H61 VanDerWaalsContact O-CB 3.25Å; Y57-H61 WeakPolarHBondContact O-CB 3.36Å; Y57-H61 PolarHBondContact O-N 3.07Å |
| 58 | L | 84.4 | Confident | 80.8 | Confident | 116 Ų | 116 | 99.9 Ų | 99.9 | 61% | 0.607 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.2 | -47.5 | 177.6 | -169.9 | 73.7 | 0 | 0 | 0 | 111.3 | M54 V55 G56 H61 V62 | M54-L58 WeakPolarHBondContact O-CB 3.39Å; M54-L58 PolarHBondContact O-N 3.29Å; V55-L58 PolarHBondContact O-N 3.16Å; G56-L58 PolarHBondContact O-N 2.86Å; L58-H61 PolarHBondContact O-N 2.76Å; L58-V62 VanDerWaalsContact O-CG2 3.31Å; L58-V62 WeakPolarHBondContact O-CG2 3.34Å; L58-V62 PolarHBondContact O-N 3.12Å |
| 59 | S | 76.3 | Confident | 80.5 | Confident | 64 Ų | 64 | 100.2 Ų | 100.2 | 45% | 0.448 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.5 | -47 | 177.7 | -178.4 | 0 | 0 | 0 | 0 | 111.9 | V55 G56 H61 V62 L63 | V55-S59 VanDerWaalsContact O-CB 3.31Å; V55-S59 WeakPolarHBondContact O-CB 3.41Å; V55-S59 PolarHBondContact O-N 3.26Å; G56-S59 PolarHBondContact O-N 3.3Å; S59-H61 PolarHBondContact O-N 2.88Å; S59-V62 PolarHBondContact O-N 2.88Å; S59-L63 WeakPolarHBondContact O-CB 3.39Å; S59-L63 PolarHBondContact O-N 3.21Å |
| 60 | M | 82 | Confident | 80.2 | Confident | 113 Ų | 113 | 101.4 Ų | 101.4 | 56% | 0.557 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.4 | -43.2 | 179 | -156.2 | -74 | 178.1 | 0 | 0 | 111.4 | G56 Y57 L63 L64 | G56-M60 WeakPolarHBondContact O-CB 3.28Å; G56-M60 PolarHBondContact O-N 3.47Å; Y57-M60 PolarHBondContact O-N 2.8Å; M60-L63 PolarHBondContact O-N 3.39Å; M60-L64 HydrophobicContact CE-CD1 3.63Å; M60-L64 PolarHBondContact O-N 2.9Å; M60-L64 HydrophobicContact SD-CD1 3.84Å |
| 61 | H | 79.3 | Confident | 79.8 | Confident | 90 Ų | 90 | 98.3 Ų | 98.3 | 42% | 0.417 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.6 | -38.9 | 176.9 | 179.5 | -103.4 | 0 | 0 | 0 | 113.1 | Y57 L58 S59 R65 | Y57-H61 VanDerWaalsContact O-CB 3.25Å; Y57-H61 WeakPolarHBondContact O-CB 3.36Å; Y57-H61 PolarHBondContact O-N 3.07Å; L58-H61 PolarHBondContact O-N 2.76Å; S59-H61 PolarHBondContact O-N 2.88Å; H61-R65 PolarHBondContact CE1-NE 2.98Å; H61-R65 PolarHBondContact CE1-NH2 3.41Å; H61-R65 VanDerWaalsContact CE1-NH2 3.34Å; H61-R65 VanDerWaalsContact NE2-CZ 3.29Å; H61-R65 PolarHBondContact NE2-NE 3.3Å; H61-R65 PolarHBondContact NE2-NH2 3.35Å; H61-R65 PolarHBondContact O-N 3.11Å; H61-R65 VanDerWaalsContact O-N 3.11Å |
| 62 | V | 78.8 | Confident | 79.9 | Confident | 94 Ų | 94 | 104 Ų | 104 | 57% | 0.57 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -65.1 | -43.4 | 173.3 | 169.3 | 0 | 0 | 0 | 0 | 111.1 | L58 S59 G66 | L58-V62 VanDerWaalsContact O-CG2 3.31Å; L58-V62 WeakPolarHBondContact O-CG2 3.34Å; L58-V62 PolarHBondContact O-N 3.12Å; S59-V62 PolarHBondContact O-N 2.88Å; V62-G66 PolarHBondContact O-N 3.14Å |
| 63 | L | 74.9 | Confident | 79.8 | Confident | 122 Ų | 122 | 100.7 Ų | 100.7 | 64% | 0.639 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63 | -43.9 | 176.2 | -82 | 161.8 | 0 | 0 | 0 | 112.4 | S59 M60 G66 K67 | S59-L63 WeakPolarHBondContact O-CB 3.39Å; S59-L63 PolarHBondContact O-N 3.21Å; M60-L63 PolarHBondContact O-N 3.39Å; L63-G66 PolarHBondContact O-N 3.15Å; L63-K67 WeakPolarHBondContact O-CB 3.49Å; L63-K67 PolarHBondContact O-N 3.44Å |
| 64 | L | 73 | Confident | 79.6 | Confident | 80 Ų | 80 | 101.1 Ų | 101.1 | 42% | 0.419 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.8 | -50.5 | -179.7 | -136.2 | 92 | 0 | 0 | 0 | 111.5 | M60 G66 K67 E68 | M60-L64 HydrophobicContact CE-CD1 3.63Å; M60-L64 PolarHBondContact O-N 2.9Å; M60-L64 HydrophobicContact SD-CD1 3.84Å; L64-G66 VanDerWaalsContact C-N 3.35Å; L64-G66 PolarHBondContact O-N 2.91Å; L64-K67 WeakPolarHBondContact O-CB 3.46Å; L64-K67 PolarHBondContact O-N 2.98Å; L64-E68 WeakPolarHBondContact O-CG 3.32Å; L64-E68 PolarHBondContact O-N 3.37Å |
| 65 | R | 74.3 | Confident | 79.7 | Confident | 137 Ų | 137 | 98.5 Ų | 98.5 | 52% | 0.517 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.2 | -38.7 | 177 | -70.6 | -164.3 | -174.1 | -164.6 | 5.3 | 112.3 | H61 K67 E68 H69 | H61-R65 PolarHBondContact CE1-NE 2.98Å; H61-R65 PolarHBondContact CE1-NH2 3.41Å; H61-R65 VanDerWaalsContact CE1-NH2 3.34Å; H61-R65 VanDerWaalsContact NE2-CZ 3.29Å; H61-R65 PolarHBondContact NE2-NE 3.3Å; H61-R65 PolarHBondContact NE2-NH2 3.35Å; H61-R65 PolarHBondContact O-N 3.11Å; H61-R65 VanDerWaalsContact O-N 3.11Å; R65-K67 VanDerWaalsContact C-N 3.34Å; R65-K67 PolarHBondContact O-N 3.11Å; R65-E68 PolarHBondContact O-N 2.99Å; R65-H69 PolarHBondContact O-CD2 3.15Å; R65-H69 PolarHBondContact O-N 3.19Å |
| 66 | G | 71.1 | Confident | 79.7 | Confident | 30 Ų | 30 | 97.6 Ų | 97.6 | 31% | 0.309 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58.7 | -45.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | V62 L63 L64 E68 H69 L70 | V62-G66 PolarHBondContact O-N 3.14Å; L63-G66 PolarHBondContact O-N 3.15Å; L64-G66 VanDerWaalsContact C-N 3.35Å; L64-G66 PolarHBondContact O-N 2.91Å; G66-E68 PolarHBondContact O-N 3.49Å; G66-H69 PolarHBondContact O-N 3.23Å; G66-L70 WeakPolarHBondContact O-CB 3.44Å; G66-L70 WeakPolarHBondContact O-CG 3.47Å; G66-L70 PolarHBondContact O-N 3.38Å |
| 67 | K | 79.1 | Confident | 79.9 | Confident | 119 Ų | 119 | 100.3 Ų | 100.3 | 52% | 0.517 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.4 | -41.7 | 175.3 | -164.8 | -166.2 | 71.4 | 65.6 | 0 | 112.1 | L63 L64 R65 L70 C71 | L63-K67 WeakPolarHBondContact O-CB 3.49Å; L63-K67 PolarHBondContact O-N 3.44Å; L64-K67 WeakPolarHBondContact O-CB 3.46Å; L64-K67 PolarHBondContact O-N 2.98Å; R65-K67 VanDerWaalsContact C-N 3.34Å; R65-K67 PolarHBondContact O-N 3.11Å; K67-L70 PolarHBondContact O-N 2.93Å; K67-C71 WeakPolarHBondContact O-CB 3.46Å; K67-C71 PolarHBondContact O-N 3.32Å; K67-C71 PolarHBondContact O-SG 3.4Å |
| 68 | E | 78.2 | Confident | 79.9 | Confident | 102 Ų | 102 | 99.4 Ų | 99.4 | 48% | 0.477 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.6 | -44.8 | 178.4 | -73.4 | 169 | -168.2 | 0 | 0 | 112.4 | L64 R65 G66 C71 R72 | L64-E68 WeakPolarHBondContact O-CG 3.32Å; L64-E68 PolarHBondContact O-N 3.37Å; R65-E68 PolarHBondContact O-N 2.99Å; G66-E68 PolarHBondContact O-N 3.49Å; E68-C71 PolarHBondContact O-N 3.25Å; E68-R72 WeakPolarHBondContact O-CB 3.39Å; E68-R72 PolarHBondContact O-N 3Å |
| 69 | H | 76.4 | Confident | 80.3 | Confident | 106 Ų | 106 | 99.5 Ų | 99.5 | 49% | 0.491 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.7 | -40.1 | 176.3 | -68.2 | -52 | 0 | 0 | 0 | 112.4 | R65 G66 G73 | R65-H69 PolarHBondContact O-CD2 3.15Å; R65-H69 PolarHBondContact O-N 3.19Å; G66-H69 PolarHBondContact O-N 3.23Å; H69-G73 PolarHBondContact O-N 2.92Å |
| 70 | L | 75.8 | Confident | 81 | Confident | 131 Ų | 131 | 98.3 Ų | 98.3 | 69% | 0.686 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65.3 | -46.9 | 174.5 | -75.5 | 168.1 | 0 | 0 | 0 | 112.2 | G66 K67 R72 G73 L74 | G66-L70 WeakPolarHBondContact O-CB 3.44Å; G66-L70 WeakPolarHBondContact O-CG 3.47Å; G66-L70 PolarHBondContact O-N 3.38Å; K67-L70 PolarHBondContact O-N 2.93Å; L70-R72 PolarHBondContact O-N 3.32Å; L70-G73 PolarHBondContact O-N 2.99Å; L70-L74 WeakPolarHBondContact O-CB 3.36Å; L70-L74 PolarHBondContact O-N 3.23Å |
| 71 | C | 78.4 | Confident | 81.4 | Confident | 62 Ų | 62 | 96.2 Ų | 96.2 | 42% | 0.419 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.9 | -44.8 | 176.3 | -72.7 | 0 | 0 | 0 | 0 | 111.6 | K67 E68 L74 V75 | K67-C71 WeakPolarHBondContact O-CB 3.46Å; K67-C71 PolarHBondContact O-N 3.32Å; K67-C71 PolarHBondContact O-SG 3.4Å; E68-C71 PolarHBondContact O-N 3.25Å; C71-L74 PolarHBondContact O-N 3.48Å; C71-V75 WeakPolarHBondContact O-CG2 3.33Å; C71-V75 PolarHBondContact O-N 2.88Å |
| 72 | R | 82.6 | Confident | 81.9 | Confident | 177 Ų | 177 | 93.8 Ų | 93.8 | 67% | 0.668 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -67.1 | -37.3 | 178.7 | -166.9 | 174.2 | 70.7 | -166.3 | 4.2 | 112.3 | E68 L70 S76 | E68-R72 WeakPolarHBondContact O-CB 3.39Å; E68-R72 PolarHBondContact O-N 3Å; L70-R72 PolarHBondContact O-N 3.32Å; R72-S76 WeakPolarHBondContact O-CB 3.43Å; R72-S76 PolarHBondContact O-N 3.15Å |
| 73 | G | 79.8 | Confident | 82.7 | Confident | 37 Ų | 37 | 94.8 Ų | 94.8 | 38% | 0.381 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.9 | -45.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | H69 L70 V75 S76 V77 | H69-G73 PolarHBondContact O-N 2.92Å; L70-G73 PolarHBondContact O-N 2.99Å; G73-V75 PolarHBondContact O-N 3.34Å; G73-S76 PolarHBondContact O-N 2.9Å; G73-V77 WeakPolarHBondContact O-CG2 3.38Å; G73-V77 PolarHBondContact O-N 2.87Å |
| 74 | L | 83.5 | Confident | 83.6 | Confident | 134 Ų | 134 | 91.6 Ų | 91.6 | 70% | 0.702 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.8 | -41.3 | 179 | -154.1 | 91.4 | 0 | 0 | 0 | 112.1 | L70 C71 V77 L78 | L70-L74 WeakPolarHBondContact O-CB 3.36Å; L70-L74 PolarHBondContact O-N 3.23Å; C71-L74 PolarHBondContact O-N 3.48Å; L74-V77 PolarHBondContact O-N 3.39Å; L74-L78 WeakPolarHBondContact O-CB 3.05Å; L74-L78 PolarHBondContact O-N 2.97Å |
| 75 | V | 87.4 | Confident | 84.6 | Confident | 75 Ų | 75 | 92.2 Ų | 92.2 | 46% | 0.455 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.4 | -46.2 | 174.5 | 169.3 | 0 | 0 | 0 | 0 | 110.8 | C71 G73 V77 L78 E79 | C71-V75 WeakPolarHBondContact O-CG2 3.33Å; C71-V75 PolarHBondContact O-N 2.88Å; G73-V75 PolarHBondContact O-N 3.34Å; V75-V77 VanDerWaalsContact C-N 3.35Å; V75-V77 PolarHBondContact O-N 3.4Å; V75-L78 PolarHBondContact O-N 2.84Å; V75-L78 VanDerWaalsContact O-N 3.14Å; V75-E79 HydrophobicContact CG1-CG 4.4Å; V75-E79 WeakPolarHBondContact O-CG 3.26Å; V75-E79 PolarHBondContact O-N 3.41Å |
| 76 | S | 85.6 | Confident | 85.5 | Confident | 75 Ų | 75 | 89 Ų | 89 | 52% | 0.524 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.9 | -37.4 | 178.2 | -176.8 | 0 | 0 | 0 | 0 | 112.9 | R72 G73 G80 | R72-S76 WeakPolarHBondContact O-CB 3.43Å; R72-S76 PolarHBondContact O-N 3.15Å; G73-S76 PolarHBondContact O-N 2.9Å; S76-G80 PolarHBondContact O-N 3.41Å |
| 77 | V | 87.7 | Confident | 86.6 | Confident | 96 Ų | 96 | 93.1 Ų | 93.1 | 58% | 0.582 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -66 | -41.6 | 172.3 | 171.5 | 0 | 0 | 0 | 0 | 111 | G73 L74 V75 G80 C81 | G73-V77 WeakPolarHBondContact O-CG2 3.38Å; G73-V77 PolarHBondContact O-N 2.87Å; L74-V77 PolarHBondContact O-N 3.39Å; V75-V77 VanDerWaalsContact C-N 3.35Å; V75-V77 PolarHBondContact O-N 3.4Å; V77-G80 PolarHBondContact O-N 3.28Å; V77-C81 WeakPolarHBondContact O-CB 3.37Å; V77-C81 PolarHBondContact O-N 2.97Å; V77-C81 PolarHBondContact O-SG 2.99Å; V77-C81 VanDerWaalsContact O-SG 3.37Å |
| 78 | L | 90.4 | Very high | 87.4 | Confident | 127 Ų | 127 | 91.6 Ų | 91.6 | 67% | 0.665 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -66.1 | -39.7 | 178.2 | -172.8 | 64.8 | 0 | 0 | 0 | 112.3 | L74 V75 C81 G82 | L74-L78 WeakPolarHBondContact O-CB 3.05Å; L74-L78 PolarHBondContact O-N 2.97Å; V75-L78 PolarHBondContact O-N 2.84Å; V75-L78 VanDerWaalsContact O-N 3.14Å; L78-C81 PolarHBondContact O-N 3.46Å; L78-G82 PolarHBondContact O-N 3.47Å |
| 79 | E | 91.7 | Very high | 88.3 | Confident | 118 Ų | 118 | 91.1 Ų | 91.1 | 55% | 0.551 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61.2 | -46.7 | 171.2 | -74.1 | 171.9 | 175.1 | 0 | 0 | 111.1 | V75 C81 G82 I83 | V75-E79 HydrophobicContact CG1-CG 4.4Å; V75-E79 WeakPolarHBondContact O-CG 3.26Å; V75-E79 PolarHBondContact O-N 3.41Å; E79-C81 PolarHBondContact O-N 3.11Å; E79-G82 PolarHBondContact O-N 2.86Å; E79-G82 VanDerWaalsContact O-N 3.13Å; E79-I83 WeakPolarHBondContact O-CG1 3.45Å; E79-I83 PolarHBondContact O-N 2.87Å |
| 80 | G | 90.6 | Very high | 89.2 | Confident | 39 Ų | 39 | 93.8 Ų | 93.8 | 40% | 0.402 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -59.3 | -42.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113 | S76 V77 I83 A84 | S76-G80 PolarHBondContact O-N 3.41Å; V77-G80 PolarHBondContact O-N 3.28Å; G80-I83 PolarHBondContact O-N 2.75Å; G80-A84 WeakPolarHBondContact O-CB 3.38Å; G80-A84 PolarHBondContact O-N 2.81Å |
| 81 | C | 90.7 | Very high | 90.2 | Very high | 69 Ų | 69 | 93.9 Ų | 93.9 | 47% | 0.466 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.7 | -39.7 | 172.6 | -73.1 | 0 | 0 | 0 | 0 | 112.2 | V77 L78 E79 A84 V85 | V77-C81 WeakPolarHBondContact O-CB 3.37Å; V77-C81 PolarHBondContact O-N 2.97Å; V77-C81 PolarHBondContact O-SG 2.99Å; V77-C81 VanDerWaalsContact O-SG 3.37Å; L78-C81 PolarHBondContact O-N 3.46Å; E79-C81 PolarHBondContact O-N 3.11Å; C81-A84 PolarHBondContact O-N 2.89Å; C81-V85 WeakPolarHBondContact O-CB 3.31Å; C81-V85 VanDerWaalsContact O-CG2 3.29Å; C81-V85 WeakPolarHBondContact O-CG2 3.25Å; C81-V85 PolarHBondContact O-N 3.43Å |
| 82 | G | 90.9 | Very high | 90.9 | Very high | 40 Ų | 40 | 94.5 Ų | 94.5 | 41% | 0.412 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63 | -40.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L78 E79 S86 | L78-G82 PolarHBondContact O-N 3.47Å; E79-G82 PolarHBondContact O-N 2.86Å; E79-G82 VanDerWaalsContact O-N 3.13Å; G82-S86 WeakPolarHBondContact O-CB 3.45Å; G82-S86 PolarHBondContact O-N 3.44Å; G82-S86 PolarHBondContact O-OG 3.24Å |
| 83 | I | 94.2 | Very high | 91.5 | Very high | 114 Ų | 114 | 91.1 Ų | 91.1 | 59% | 0.585 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.8 | -45 | 173.9 | -65.3 | 164.1 | 0 | 0 | 0 | 110.2 | E79 G80 S86 L87 | E79-I83 WeakPolarHBondContact O-CG1 3.45Å; E79-I83 PolarHBondContact O-N 2.87Å; G80-I83 PolarHBondContact O-N 2.75Å; I83-S86 WeakPolarHBondContact CA-OG 3.5Å; I83-S86 PolarHBondContact O-N 3.49Å; I83-S86 PolarHBondContact O-OG 2.82Å; I83-L87 WeakPolarHBondContact O-CB 3.38Å; I83-L87 PolarHBondContact O-N 2.92Å |
| 84 | A | 93.8 | Very high | 92.3 | Very high | 56 Ų | 56 | 92.3 Ų | 92.3 | 46% | 0.463 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.5 | -45.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | G80 C81 L87 V88 | G80-A84 WeakPolarHBondContact O-CB 3.38Å; G80-A84 PolarHBondContact O-N 2.81Å; C81-A84 PolarHBondContact O-N 2.89Å; A84-L87 PolarHBondContact O-N 2.99Å; A84-V88 WeakPolarHBondContact O-CG2 3.48Å; A84-V88 PolarHBondContact O-N 2.97Å |
| 85 | V | 94.9 | Very high | 92.9 | Very high | 93 Ų | 93 | 89.4 Ų | 89.4 | 56% | 0.564 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.8 | -45 | 177.7 | 169.4 | 0 | 0 | 0 | 0 | 111.3 | C81 L87 V88 V89 | C81-V85 WeakPolarHBondContact O-CB 3.31Å; C81-V85 VanDerWaalsContact O-CG2 3.29Å; C81-V85 WeakPolarHBondContact O-CG2 3.25Å; C81-V85 PolarHBondContact O-N 3.43Å; V85-L87 VanDerWaalsContact C-N 3.32Å; V85-L87 PolarHBondContact O-N 2.92Å; V85-V88 PolarHBondContact O-N 3.44Å; V85-V89 HydrophobicContact CG1-CG2 4.46Å; V85-V89 WeakPolarHBondContact O-CG2 3.4Å; V85-V89 PolarHBondContact O-N 3.4Å |
| 86 | S | 92.4 | Very high | 93.4 | Very high | 70 Ų | 70 | 89.3 Ų | 89.3 | 49% | 0.49 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65 | -35.1 | 177.9 | 55.8 | 0 | 0 | 0 | 0 | 112.6 | G82 I83 V89 Y90 | G82-S86 WeakPolarHBondContact O-CB 3.45Å; G82-S86 PolarHBondContact O-N 3.44Å; G82-S86 PolarHBondContact O-OG 3.24Å; I83-S86 WeakPolarHBondContact CA-OG 3.5Å; I83-S86 PolarHBondContact O-N 3.49Å; I83-S86 PolarHBondContact O-OG 2.82Å; S86-V89 PolarHBondContact O-N 3.39Å; S86-Y90 VanDerWaalsContact O-CB 3.32Å; S86-Y90 WeakPolarHBondContact O-CB 3.36Å; S86-Y90 PolarHBondContact O-N 3.31Å |
| 87 | L | 95.2 | Very high | 93.9 | Very high | 116 Ų | 116 | 90.1 Ų | 90.1 | 61% | 0.607 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -67.4 | -40.7 | 173.2 | -172.8 | 145.5 | 0 | 0 | 0 | 112.3 | I83 A84 V85 Y90 F91 | I83-L87 WeakPolarHBondContact O-CB 3.38Å; I83-L87 PolarHBondContact O-N 2.92Å; A84-L87 PolarHBondContact O-N 2.99Å; V85-L87 VanDerWaalsContact C-N 3.32Å; V85-L87 PolarHBondContact O-N 2.92Å; L87-Y90 PolarHBondContact O-N 2.87Å; L87-F91 WeakPolarHBondContact O-CB 3.36Å; L87-F91 PolarHBondContact O-N 2.86Å |
| 88 | V | 95.8 | Very high | 94.3 | Very high | 86 Ų | 86 | 92.9 Ų | 92.9 | 52% | 0.521 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.9 | -46.2 | 173.7 | 170.1 | 0 | 0 | 0 | 0 | 110.8 | A84 V85 Y90 F91 T92 | A84-V88 WeakPolarHBondContact O-CG2 3.48Å; A84-V88 PolarHBondContact O-N 2.97Å; V85-V88 PolarHBondContact O-N 3.44Å; V88-Y90 PolarHBondContact O-N 2.99Å; V88-F91 PolarHBondContact O-N 3.09Å; V88-T92 WeakPolarHBondContact O-CB 3.36Å; V88-T92 PolarHBondContact O-N 3.43Å; V88-T92 PolarHBondContact O-OG1 3.39Å |
| 89 | V | 95.7 | Very high | 94.5 | Very high | 93 Ų | 93 | 89 Ų | 89 | 56% | 0.564 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.8 | -43.5 | 176.9 | 171 | 0 | 0 | 0 | 0 | 111.3 | V85 S86 T92 N93 | V85-V89 HydrophobicContact CG1-CG2 4.46Å; V85-V89 WeakPolarHBondContact O-CG2 3.4Å; V85-V89 PolarHBondContact O-N 3.4Å; S86-V89 PolarHBondContact O-N 3.39Å; V89-T92 PolarHBondContact O-N 3.19Å; V89-N93 WeakPolarHBondContact O-CB 3.25Å; V89-N93 PolarHBondContact O-N 3.49Å |
| 90 | Y | 96.6 | Very high | 94.7 | Very high | 161 Ų | 161 | 88 Ų | 88 | 63% | 0.631 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -59.6 | -49.1 | 175 | 175.6 | -96.5 | 0 | 0 | 0 | 111.4 | S86 L87 V88 T92 N93 T94 | S86-Y90 VanDerWaalsContact O-CB 3.32Å; S86-Y90 WeakPolarHBondContact O-CB 3.36Å; S86-Y90 PolarHBondContact O-N 3.31Å; L87-Y90 PolarHBondContact O-N 2.87Å; V88-Y90 PolarHBondContact O-N 2.99Å; Y90-T92 PolarHBondContact O-N 3.43Å; Y90-N93 PolarHBondContact O-N 2.91Å; Y90-T94 PolarHBondContact O-N 2.82Å; Y90-T94 PolarHBondContact O-OG1 3.4Å |
| 91 | F | 95.6 | Very high | 95 | Very high | 134 Ų | 134 | 89.7 Ų | 89.7 | 59% | 0.588 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.5 | -46.1 | 178 | 179.4 | -100.2 | 0 | 0 | 0 | 112.1 | L87 V88 N93 T94 V95 | L87-F91 WeakPolarHBondContact O-CB 3.36Å; L87-F91 PolarHBondContact O-N 2.86Å; V88-F91 PolarHBondContact O-N 3.09Å; F91-N93 VanDerWaalsContact C-N 3.32Å; F91-N93 PolarHBondContact O-N 2.87Å; F91-T94 WeakPolarHBondContact O-CB 3.32Å; F91-T94 PolarHBondContact O-N 2.9Å; F91-V95 HydrophobicContact CD1-CG2 4.23Å; F91-V95 HydrophobicContact CE1-CG2 3.79Å; F91-V95 HydrophobicContact CE2-CG2 4.15Å; F91-V95 HydrophobicContact CZ-CG2 3.75Å; F91-V95 WeakPolarHBondContact O-CG2 3.24Å; F91-V95 PolarHBondContact O-N 2.95Å |
| 92 | T | 94.7 | Very high | 95.2 | Very high | 75 Ų | 75 | 88 Ų | 88 | 46% | 0.46 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.7 | -44 | 175.2 | -58.1 | 0 | 0 | 0 | 0 | 111.2 | V88 V89 Y90 T94 V95 V96 | V88-T92 WeakPolarHBondContact O-CB 3.36Å; V88-T92 PolarHBondContact O-N 3.43Å; V88-T92 PolarHBondContact O-OG1 3.39Å; V89-T92 PolarHBondContact O-N 3.19Å; Y90-T92 PolarHBondContact O-N 3.43Å; T92-T94 PolarHBondContact O-N 2.84Å; T92-V95 PolarHBondContact O-N 3.44Å; T92-V96 HydrophobicContact CG2-CG2 4.43Å; T92-V96 WeakPolarHBondContact O-CB 3.42Å; T92-V96 VanDerWaalsContact O-CG2 3.3Å; T92-V96 WeakPolarHBondContact O-CG2 3.42Å; T92-V96 PolarHBondContact O-N 3.15Å |
| 93 | N | 94.7 | Very high | 95.3 | Very high | 105 Ų | 105 | 90.5 Ų | 90.5 | 56% | 0.561 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.8 | -40 | 176.5 | -170.5 | 37.7 | 0 | 0 | 0 | 112.1 | V89 Y90 F91 V96 N97 | V89-N93 WeakPolarHBondContact O-CB 3.25Å; V89-N93 PolarHBondContact O-N 3.49Å; Y90-N93 PolarHBondContact O-N 2.91Å; F91-N93 VanDerWaalsContact C-N 3.32Å; F91-N93 PolarHBondContact O-N 2.87Å; N93-V96 PolarHBondContact O-N 2.83Å; N93-N97 VanDerWaalsContact O-CB 3.27Å; N93-N97 WeakPolarHBondContact O-CB 3.38Å; N93-N97 PolarHBondContact O-N 3.35Å |
| 94 | T | 96.7 | Very high | 95.4 | Very high | 62 Ų | 62 | 90.9 Ų | 90.9 | 38% | 0.38 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.1 | -45.1 | 174.1 | -56.5 | 0 | 0 | 0 | 0 | 111.7 | Y90 F91 T92 N97 F98 | Y90-T94 PolarHBondContact O-N 2.82Å; Y90-T94 PolarHBondContact O-OG1 3.4Å; F91-T94 WeakPolarHBondContact O-CB 3.32Å; F91-T94 PolarHBondContact O-N 2.9Å; T92-T94 PolarHBondContact O-N 2.84Å; T94-N97 PolarHBondContact O-N 2.89Å; T94-F98 WeakPolarHBondContact O-CB 3.24Å; T94-F98 PolarHBondContact O-N 3.48Å |
| 95 | V | 96.4 | Very high | 95.4 | Very high | 74 Ų | 74 | 92.8 Ų | 92.8 | 45% | 0.448 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.1 | -45.2 | 177.4 | 171.5 | 0 | 0 | 0 | 0 | 111.2 | F91 T92 F98 A99 | F91-V95 HydrophobicContact CD1-CG2 4.23Å; F91-V95 HydrophobicContact CE1-CG2 3.79Å; F91-V95 HydrophobicContact CE2-CG2 4.15Å; F91-V95 HydrophobicContact CZ-CG2 3.75Å; F91-V95 WeakPolarHBondContact O-CG2 3.24Å; F91-V95 PolarHBondContact O-N 2.95Å; T92-V95 PolarHBondContact O-N 3.44Å; V95-F98 PolarHBondContact O-N 2.85Å; V95-A99 VanDerWaalsContact O-CB 3.31Å; V95-A99 WeakPolarHBondContact O-CB 3.35Å; V95-A99 PolarHBondContact O-N 3.49Å |
| 96 | V | 96.8 | Very high | 95.5 | Very high | 73 Ų | 73 | 94 Ų | 94 | 44% | 0.442 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.8 | -45.8 | 176.5 | 169.3 | 0 | 0 | 0 | 0 | 111 | T92 N93 F98 A99 L100 | T92-V96 HydrophobicContact CG2-CG2 4.43Å; T92-V96 WeakPolarHBondContact O-CB 3.42Å; T92-V96 VanDerWaalsContact O-CG2 3.3Å; T92-V96 WeakPolarHBondContact O-CG2 3.42Å; T92-V96 PolarHBondContact O-N 3.15Å; N93-V96 PolarHBondContact O-N 2.83Å; V96-F98 PolarHBondContact O-N 2.93Å; V96-A99 PolarHBondContact O-N 3.48Å; V96-L100 HydrophobicContact CG1-CD1 3.94Å; V96-L100 HydrophobicContact CG1-CG 4.35Å; V96-L100 WeakPolarHBondContact O-CB 3.29Å; V96-L100 VanDerWaalsContact O-CG 3.3Å; V96-L100 WeakPolarHBondContact O-CG 3.31Å; V96-L100 PolarHBondContact O-N 2.95Å |
| 97 | N | 95.9 | Very high | 95.7 | Very high | 91 Ų | 91 | 98.6 Ų | 98.6 | 49% | 0.487 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63 | -43.9 | 178.6 | -170.5 | 30 | 0 | 0 | 0 | 111.9 | N93 T94 A99 L100 I101 | N93-N97 VanDerWaalsContact O-CB 3.27Å; N93-N97 WeakPolarHBondContact O-CB 3.38Å; N93-N97 PolarHBondContact O-N 3.35Å; T94-N97 PolarHBondContact O-N 2.89Å; N97-A99 PolarHBondContact O-N 3.21Å; N97-L100 PolarHBondContact O-N 3.27Å; N97-I101 VanDerWaalsContact O-CG1 3.3Å; N97-I101 WeakPolarHBondContact O-CG1 3.37Å; N97-I101 PolarHBondContact O-N 2.95Å |
| 98 | F | 95.9 | Very high | 95.7 | Very high | 154 Ų | 154 | 98.7 Ų | 98.7 | 68% | 0.675 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62 | -43.1 | 174.7 | -176.8 | -96 | 0 | 0 | 0 | 112 | T94 V95 V96 I101 A102 | T94-F98 WeakPolarHBondContact O-CB 3.24Å; T94-F98 PolarHBondContact O-N 3.48Å; V95-F98 PolarHBondContact O-N 2.85Å; V96-F98 PolarHBondContact O-N 2.93Å; F98-I101 PolarHBondContact O-N 2.84Å; F98-A102 WeakPolarHBondContact O-CB 3.25Å; F98-A102 PolarHBondContact O-N 2.92Å |
| 99 | A | 95.6 | Very high | 95.6 | Very high | 47 Ų | 47 | 97.4 Ų | 97.4 | 39% | 0.388 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.4 | -42.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | V95 V96 N97 A102 T103 | V95-A99 VanDerWaalsContact O-CB 3.31Å; V95-A99 WeakPolarHBondContact O-CB 3.35Å; V95-A99 PolarHBondContact O-N 3.49Å; V96-A99 PolarHBondContact O-N 3.48Å; N97-A99 PolarHBondContact O-N 3.21Å; A99-A102 PolarHBondContact O-N 2.9Å; A99-T103 WeakPolarHBondContact O-CB 3.4Å; A99-T103 PolarHBondContact O-N 3.41Å; A99-T103 PolarHBondContact O-OG1 2.86Å |
| 100 | L | 95.4 | Very high | 95.6 | Very high | 95 Ų | 95 | 95.7 Ų | 95.7 | 50% | 0.497 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.9 | -45.4 | 175.9 | -73 | 171.3 | 0 | 0 | 0 | 112 | V96 N97 T103 Q104 | V96-L100 HydrophobicContact CG1-CD1 3.94Å; V96-L100 HydrophobicContact CG1-CG 4.35Å; V96-L100 WeakPolarHBondContact O-CB 3.29Å; V96-L100 VanDerWaalsContact O-CG 3.3Å; V96-L100 WeakPolarHBondContact O-CG 3.31Å; V96-L100 PolarHBondContact O-N 2.95Å; N97-L100 PolarHBondContact O-N 3.27Å; L100-T103 PolarHBondContact O-N 2.87Å; L100-Q104 WeakPolarHBondContact O-CB 3.38Å; L100-Q104 VanDerWaalsContact O-CG 3.32Å; L100-Q104 WeakPolarHBondContact O-CG 3.33Å; L100-Q104 PolarHBondContact O-N 3.46Å |
| 101 | I | 97.2 | Very high | 95.5 | Very high | 76 Ų | 76 | 90.3 Ų | 90.3 | 39% | 0.39 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.4 | -43.2 | 176.1 | -66.6 | 163.5 | 0 | 0 | 0 | 110.6 | N97 F98 Q104 N105 | N97-I101 VanDerWaalsContact O-CG1 3.3Å; N97-I101 WeakPolarHBondContact O-CG1 3.37Å; N97-I101 PolarHBondContact O-N 2.95Å; F98-I101 PolarHBondContact O-N 2.84Å; I101-Q104 PolarHBondContact O-N 2.89Å; I101-N105 PolarHBondContact O-N 2.89Å; I101-N105 PolarHBondContact O-ND2 3.45Å |
| 102 | A | 95.1 | Very high | 95.4 | Very high | 34 Ų | 34 | 85.4 Ų | 85.4 | 28% | 0.281 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.8 | -45.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | F98 A99 N105 I106 | F98-A102 WeakPolarHBondContact O-CB 3.25Å; F98-A102 PolarHBondContact O-N 2.92Å; A99-A102 PolarHBondContact O-N 2.9Å; A102-N105 PolarHBondContact O-N 3.44Å; A102-I106 VanDerWaalsContact O-CG1 3.3Å; A102-I106 WeakPolarHBondContact O-CG1 3.43Å; A102-I106 PolarHBondContact O-N 3.4Å |
| 103 | T | 92.5 | Very high | 95.3 | Very high | 92 Ų | 92 | 86.1 Ų | 86.1 | 56% | 0.564 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -63.4 | -41.5 | 176.5 | -57.7 | 0 | 0 | 0 | 0 | 112.1 | A99 L100 I106 Y107 | A99-T103 WeakPolarHBondContact O-CB 3.4Å; A99-T103 PolarHBondContact O-N 3.41Å; A99-T103 PolarHBondContact O-OG1 2.86Å; L100-T103 PolarHBondContact O-N 2.87Å; T103-I106 PolarHBondContact O-N 3.4Å; T103-Y107 WeakPolarHBondContact O-CB 3.5Å; T103-Y107 PolarHBondContact O-N 2.85Å |
| 104 | Q | 96 | Very high | 95.4 | Very high | 122 Ų | 122 | 90.5 Ų | 90.5 | 57% | 0.57 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.4 | -43.6 | 175 | -75.9 | 175.6 | -7.6 | 0 | 0 | 111.9 | L100 I101 Y107 L108 | L100-Q104 WeakPolarHBondContact O-CB 3.38Å; L100-Q104 VanDerWaalsContact O-CG 3.32Å; L100-Q104 WeakPolarHBondContact O-CG 3.33Å; L100-Q104 PolarHBondContact O-N 3.46Å; I101-Q104 PolarHBondContact O-N 2.89Å; Q104-Y107 PolarHBondContact O-N 2.91Å; Q104-L108 WeakPolarHBondContact O-CB 3.41Å; Q104-L108 WeakPolarHBondContact O-CG 3.42Å; Q104-L108 PolarHBondContact O-N 3.04Å |
| 105 | N | 94.6 | Very high | 95.2 | Very high | 96 Ų | 96 | 93.4 Ų | 93.4 | 51% | 0.513 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.4 | -40.7 | 176.7 | -73.6 | -29.1 | 0 | 0 | 0 | 112.5 | I101 A102 L108 A109 | I101-N105 PolarHBondContact O-N 2.89Å; I101-N105 PolarHBondContact O-ND2 3.45Å; A102-N105 PolarHBondContact O-N 3.44Å; N105-L108 PolarHBondContact O-N 3Å; N105-A109 WeakPolarHBondContact O-CB 3.28Å; N105-A109 PolarHBondContact O-N 2.9Å |
| 106 | I | 96 | Very high | 94.8 | Very high | 119 Ų | 119 | 94.5 Ų | 94.5 | 61% | 0.61 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.2 | -43 | 174.2 | -69.1 | 164.6 | 0 | 0 | 0 | 110.7 | A102 T103 A109 A110 | A102-I106 VanDerWaalsContact O-CG1 3.3Å; A102-I106 WeakPolarHBondContact O-CG1 3.43Å; A102-I106 PolarHBondContact O-N 3.4Å; T103-I106 PolarHBondContact O-N 3.4Å; I106-A109 PolarHBondContact O-N 3.44Å; I106-A110 WeakPolarHBondContact O-CB 3.38Å; I106-A110 PolarHBondContact O-N 3.34Å |
| 107 | Y | 96.3 | Very high | 94.7 | Very high | 166 Ų | 166 | 95.3 Ų | 95.3 | 65% | 0.651 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63 | -45.7 | 176.8 | -178.9 | -98.5 | 0 | 0 | 0 | 112 | T103 Q104 A109 A110 V111 | T103-Y107 WeakPolarHBondContact O-CB 3.5Å; T103-Y107 PolarHBondContact O-N 2.85Å; Q104-Y107 PolarHBondContact O-N 2.91Å; Y107-A109 PolarHBondContact O-N 3.43Å; Y107-A110 PolarHBondContact O-N 3.13Å; Y107-V111 HydrophobicContact CD1-CG2 4.2Å; Y107-V111 HydrophobicContact CE1-CG2 3.78Å; Y107-V111 HydrophobicContact CE2-CG2 4.14Å; Y107-V111 WeakPolarHBondContact O-CG2 3.42Å; Y107-V111 PolarHBondContact O-N 2.8Å |
| 108 | L | 95.6 | Very high | 94.4 | Very high | 117 Ų | 117 | 93 Ų | 93 | 61% | 0.613 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -59.7 | -43.6 | 175 | -76.7 | 163.7 | 0 | 0 | 0 | 111.9 | Q104 N105 G112 | Q104-L108 WeakPolarHBondContact O-CB 3.41Å; Q104-L108 WeakPolarHBondContact O-CG 3.42Å; Q104-L108 PolarHBondContact O-N 3.04Å; N105-L108 PolarHBondContact O-N 3Å; L108-G112 PolarHBondContact O-N 3.46Å |
| 109 | A | 94.6 | Very high | 94.2 | Very high | 59 Ų | 59 | 89.2 Ų | 89.2 | 49% | 0.488 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.9 | -43.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | N105 I106 Y107 G112 V113 | N105-A109 WeakPolarHBondContact O-CB 3.28Å; N105-A109 PolarHBondContact O-N 2.9Å; I106-A109 PolarHBondContact O-N 3.44Å; Y107-A109 PolarHBondContact O-N 3.43Å; A109-G112 PolarHBondContact O-N 2.86Å; A109-V113 WeakPolarHBondContact O-CG2 3.42Å; A109-V113 PolarHBondContact O-N 3.28Å |
| 110 | A | 94.4 | Very high | 94.1 | Very high | 57 Ų | 57 | 90.6 Ų | 90.6 | 47% | 0.471 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64 | -42.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | I106 Y107 G112 V113 W114 | I106-A110 WeakPolarHBondContact O-CB 3.38Å; I106-A110 PolarHBondContact O-N 3.34Å; Y107-A110 PolarHBondContact O-N 3.13Å; A110-G112 VanDerWaalsContact C-N 3.34Å; A110-V113 PolarHBondContact O-N 3.21Å; A110-W114 WeakPolarHBondContact O-CB 3.27Å; A110-W114 PolarHBondContact O-N 2.88Å |
| 111 | V | 94.8 | Very high | 93.9 | Very high | 49 Ų | 49 | 91.8 Ų | 91.8 | 30% | 0.297 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.8 | -40.1 | 173.5 | 171.4 | 0 | 0 | 0 | 0 | 111 | Y107 W114 Q115 | Y107-V111 HydrophobicContact CD1-CG2 4.2Å; Y107-V111 HydrophobicContact CE1-CG2 3.78Å; Y107-V111 HydrophobicContact CE2-CG2 4.14Å; Y107-V111 WeakPolarHBondContact O-CG2 3.42Å; Y107-V111 PolarHBondContact O-N 2.8Å; V111-W114 PolarHBondContact O-N 3.24Å; V111-Q115 HydrophobicContact CG1-CG 4.46Å; V111-Q115 WeakPolarHBondContact O-CB 3.42Å; V111-Q115 WeakPolarHBondContact O-CG 3.21Å; V111-Q115 PolarHBondContact O-N 3.39Å |
| 112 | G | 93.8 | Very high | 93.8 | Very high | 30 Ų | 30 | 92.7 Ų | 92.7 | 31% | 0.309 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.5 | -49.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L108 A109 A110 W114 Q115 T116 | L108-G112 PolarHBondContact O-N 3.46Å; A109-G112 PolarHBondContact O-N 2.86Å; A110-G112 VanDerWaalsContact C-N 3.34Å; G112-W114 VanDerWaalsContact C-N 3.33Å; G112-W114 PolarHBondContact O-N 3.44Å; G112-Q115 PolarHBondContact O-N 3.28Å; G112-T116 WeakPolarHBondContact O-CG2 3.28Å; G112-T116 PolarHBondContact O-N 2.87Å; G112-T116 PolarHBondContact O-OG1 3.47Å |
| 113 | V | 93.7 | Very high | 93.8 | Very high | 90 Ų | 90 | 97 Ų | 97 | 55% | 0.545 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.3 | -39.7 | 175.4 | 173.5 | 0 | 0 | 0 | 0 | 111.5 | A109 A110 Q115 T116 V117 | A109-V113 WeakPolarHBondContact O-CG2 3.42Å; A109-V113 PolarHBondContact O-N 3.28Å; A110-V113 PolarHBondContact O-N 3.21Å; V113-Q115 PolarHBondContact O-N 2.93Å; V113-T116 WeakPolarHBondContact CA-OG1 3.45Å; V113-T116 PolarHBondContact O-N 3.35Å; V113-T116 PolarHBondContact O-OG1 3.3Å; V113-V117 HydrophobicContact CG1-CG2 4.46Å; V113-V117 WeakPolarHBondContact O-CG2 3.36Å; V113-V117 PolarHBondContact O-N 3.26Å; V113-V117 VanDerWaalsContact O-N 3.07Å |
| 114 | W | 95.1 | Very high | 93.9 | Very high | 197 Ų | 197 | 94.9 Ų | 94.9 | 75% | 0.746 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.3 | -42.2 | 175.7 | -174.8 | -94.4 | 0 | 0 | 0 | 112 | A110 V111 G112 V117 S118 | A110-W114 WeakPolarHBondContact O-CB 3.27Å; A110-W114 PolarHBondContact O-N 2.88Å; V111-W114 PolarHBondContact O-N 3.24Å; G112-W114 VanDerWaalsContact C-N 3.33Å; G112-W114 PolarHBondContact O-N 3.44Å; W114-V117 PolarHBondContact O-N 3.5Å; W114-S118 VanDerWaalsContact O-CB 3.24Å; W114-S118 WeakPolarHBondContact O-CB 3.17Å; W114-S118 PolarHBondContact O-N 2.89Å; W114-S118 PolarHBondContact O-OG 2.86Å |
| 115 | Q | 92.6 | Very high | 93.8 | Very high | 124 Ų | 124 | 94.1 Ų | 94.1 | 58% | 0.579 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -67.4 | -40.3 | 177.4 | -74.1 | 176.9 | -5.9 | 0 | 0 | 112.5 | V111 G112 V113 V117 S118 S119 | V111-Q115 HydrophobicContact CG1-CG 4.46Å; V111-Q115 WeakPolarHBondContact O-CB 3.42Å; V111-Q115 WeakPolarHBondContact O-CG 3.21Å; V111-Q115 PolarHBondContact O-N 3.39Å; G112-Q115 PolarHBondContact O-N 3.28Å; V113-Q115 PolarHBondContact O-N 2.93Å; Q115-V117 VanDerWaalsContact C-N 3.32Å; Q115-V117 PolarHBondContact O-N 3.2Å; Q115-S118 PolarHBondContact O-OG 3.31Å; Q115-S119 WeakPolarHBondContact O-CB 3.22Å; Q115-S119 PolarHBondContact O-N 2.89Å; Q115-S119 VanDerWaalsContact O-N 3.16Å |
| 116 | T | 90 | Very high | 94 | Very high | 97 Ų | 97 | 93 Ų | 93 | 60% | 0.595 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -69.6 | -27.1 | 177.9 | 57.5 | 0 | 0 | 0 | 0 | 113.3 | G112 V113 P120 | G112-T116 WeakPolarHBondContact O-CG2 3.28Å; G112-T116 PolarHBondContact O-N 2.87Å; G112-T116 PolarHBondContact O-OG1 3.47Å; V113-T116 WeakPolarHBondContact CA-OG1 3.45Å; V113-T116 PolarHBondContact O-N 3.35Å; V113-T116 PolarHBondContact O-OG1 3.3Å; T116-P120 WeakPolarHBondContact O-CD 3.17Å; T116-P120 VanDerWaalsContact O-CG 3.27Å; T116-P120 WeakPolarHBondContact O-CG 3.27Å |
| 117 | V | 93.4 | Very high | 94 | Very high | 89 Ų | 89 | 93.1 Ų | 93.1 | 54% | 0.539 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -86.1 | -40.8 | 175.3 | 174.6 | 0 | 0 | 0 | 0 | 112.4 | V113 W114 Q115 P120 L121 | V113-V117 HydrophobicContact CG1-CG2 4.46Å; V113-V117 WeakPolarHBondContact O-CG2 3.36Å; V113-V117 PolarHBondContact O-N 3.26Å; V113-V117 VanDerWaalsContact O-N 3.07Å; W114-V117 PolarHBondContact O-N 3.5Å; Q115-V117 VanDerWaalsContact C-N 3.32Å; Q115-V117 PolarHBondContact O-N 3.2Å; V117-P120 WeakPolarHBondContact O-CD 3.4Å; V117-P120 WeakPolarHBondContact O-CG 3.2Å; V117-L121 WeakPolarHBondContact O-CB 3.23Å; V117-L121 PolarHBondContact O-N 3.01Å |
| 118 | S | 89.4 | Confident | 93.9 | Very high | 43 Ų | 43 | 88.4 Ų | 88.4 | 30% | 0.301 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -71.6 | -34.9 | -177.3 | 54.8 | 0 | 0 | 0 | 0 | 113.4 | W114 Q115 L121 Q122 | W114-S118 VanDerWaalsContact O-CB 3.24Å; W114-S118 WeakPolarHBondContact O-CB 3.17Å; W114-S118 PolarHBondContact O-N 2.89Å; W114-S118 PolarHBondContact O-OG 2.86Å; Q115-S118 PolarHBondContact O-OG 3.31Å; S118-L121 PolarHBondContact O-N 3.41Å; S118-Q122 WeakPolarHBondContact O-CB 3.44Å; S118-Q122 PolarHBondContact O-N 2.72Å |
| 119 | S | 92.9 | Very high | 94 | Very high | 74 Ų | 74 | 88.1 Ų | 88.1 | 52% | 0.517 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -58.1 | -54.6 | 177.7 | 179.7 | 0 | 0 | 0 | 0 | 114.3 | Q115 L121 Q122 K123 | Q115-S119 WeakPolarHBondContact O-CB 3.22Å; Q115-S119 PolarHBondContact O-N 2.89Å; Q115-S119 VanDerWaalsContact O-N 3.16Å; S119-L121 VanDerWaalsContact C-N 3.34Å; S119-L121 PolarHBondContact O-N 2.86Å; S119-Q122 PolarHBondContact O-N 3.48Å; S119-K123 PolarHBondContact O-N 3.48Å; S119-K123 VanDerWaalsContact O-N 3.09Å |
| 120 | P | 91.9 | Very high | 94 | Very high | 76 Ų | 76 | 89.1 Ų | 89.1 | 49% | 0.494 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.3 | -33 | 176.9 | 26.9 | -35 | 0 | 0 | 0 | 112.5 | T116 V117 K123 A124 | T116-P120 WeakPolarHBondContact O-CD 3.17Å; T116-P120 VanDerWaalsContact O-CG 3.27Å; T116-P120 WeakPolarHBondContact O-CG 3.27Å; V117-P120 WeakPolarHBondContact O-CD 3.4Å; V117-P120 WeakPolarHBondContact O-CG 3.2Å; P120-K123 PolarHBondContact O-N 2.92Å; P120-A124 WeakPolarHBondContact O-CB 3.44Å; P120-A124 PolarHBondContact O-N 3.5Å |
| 121 | L | 92.8 | Very high | 94.1 | Very high | 120 Ų | 120 | 92 Ų | 92 | 63% | 0.628 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.6 | -44.3 | 175.3 | -175 | 67.3 | 0 | 0 | 0 | 111.5 | V117 S118 S119 K123 A124 L125 | V117-L121 WeakPolarHBondContact O-CB 3.23Å; V117-L121 PolarHBondContact O-N 3.01Å; S118-L121 PolarHBondContact O-N 3.41Å; S119-L121 VanDerWaalsContact C-N 3.34Å; S119-L121 PolarHBondContact O-N 2.86Å; L121-K123 VanDerWaalsContact C-N 3.33Å; L121-K123 PolarHBondContact O-N 3.37Å; L121-A124 PolarHBondContact O-N 3.35Å; L121-L125 WeakPolarHBondContact O-CB 3.28Å; L121-L125 PolarHBondContact O-N 2.87Å |
| 122 | Q | 95.1 | Very high | 94.2 | Very high | 95 Ų | 95 | 96 Ų | 96 | 44% | 0.444 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.5 | -42 | 174.6 | 178.5 | 62.2 | 23.1 | 0 | 0 | 111.3 | S118 S119 L125 E126 | S118-Q122 WeakPolarHBondContact O-CB 3.44Å; S118-Q122 PolarHBondContact O-N 2.72Å; S119-Q122 PolarHBondContact O-N 3.48Å; Q122-L125 PolarHBondContact O-N 2.72Å; Q122-E126 WeakPolarHBondContact CG-OE1 3.28Å; Q122-E126 PolarHBondContact NE2-OE1 2.84Å; Q122-E126 WeakPolarHBondContact O-CG 3.49Å; Q122-E126 PolarHBondContact O-N 3.44Å |
| 123 | K | 94.5 | Very high | 94.3 | Very high | 124 Ų | 124 | 98.1 Ų | 98.1 | 54% | 0.539 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68 | -36.9 | 176.6 | -69.1 | -70.3 | 156.7 | -153.7 | 0 | 113 | S119 P120 L121 E126 L127 | S119-K123 PolarHBondContact O-N 3.48Å; S119-K123 VanDerWaalsContact O-N 3.09Å; P120-K123 PolarHBondContact O-N 2.92Å; L121-K123 VanDerWaalsContact C-N 3.33Å; L121-K123 PolarHBondContact O-N 3.37Å; K123-E126 IonicContact NZ-OE1 3.25Å; K123-E126 IonicContact NZ-OE2 3.98Å; K123-E126 PolarHBondContact NZ-OE2 3.29Å; K123-L127 VanDerWaalsContact O-CB 3.32Å; K123-L127 WeakPolarHBondContact O-CB 3.26Å; K123-L127 PolarHBondContact O-N 2.92Å |
| 124 | A | 93.8 | Very high | 94.4 | Very high | 49 Ų | 49 | 100.4 Ų | 100.4 | 41% | 0.405 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.4 | -37.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | P120 L121 L127 T128 | P120-A124 WeakPolarHBondContact O-CB 3.44Å; P120-A124 PolarHBondContact O-N 3.5Å; L121-A124 PolarHBondContact O-N 3.35Å; A124-L127 PolarHBondContact O-N 3.33Å; A124-T128 WeakPolarHBondContact O-CB 3.3Å; A124-T128 WeakPolarHBondContact O-CG2 3.41Å; A124-T128 PolarHBondContact O-N 3.49Å; A124-T128 PolarHBondContact O-OG1 3.48Å |
| 125 | L | 95.4 | Very high | 94.5 | Very high | 105 Ų | 105 | 94.7 Ų | 94.7 | 55% | 0.55 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67 | -43.7 | 175.5 | -174.7 | 62.2 | 0 | 0 | 0 | 112 | L121 Q122 T128 L129 | L121-L125 WeakPolarHBondContact O-CB 3.28Å; L121-L125 PolarHBondContact O-N 2.87Å; Q122-L125 PolarHBondContact O-N 2.72Å; L125-T128 WeakPolarHBondContact CA-OG1 3.37Å; L125-T128 PolarHBondContact O-N 2.83Å; L125-T128 PolarHBondContact O-OG1 2.92Å; L125-T128 VanDerWaalsContact O-OG1 3.05Å; L125-L129 VanDerWaalsContact O-CB 3.29Å; L125-L129 WeakPolarHBondContact O-CB 3.32Å; L125-L129 PolarHBondContact O-N 3.13Å |
| 126 | E | 96.9 | Very high | 94.6 | Very high | 73 Ų | 73 | 96.5 Ų | 96.5 | 34% | 0.341 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.4 | -43.5 | 173 | -74.1 | 168.5 | -166.3 | 0 | 0 | 111.8 | Q122 K123 L129 T130 | Q122-E126 WeakPolarHBondContact CG-OE1 3.28Å; Q122-E126 PolarHBondContact NE2-OE1 2.84Å; Q122-E126 WeakPolarHBondContact O-CG 3.49Å; Q122-E126 PolarHBondContact O-N 3.44Å; K123-E126 IonicContact NZ-OE1 3.25Å; K123-E126 IonicContact NZ-OE2 3.98Å; K123-E126 PolarHBondContact NZ-OE2 3.29Å; E126-L129 PolarHBondContact O-N 3.22Å; E126-T130 WeakPolarHBondContact O-CG2 3.42Å; E126-T130 PolarHBondContact O-N 3.39Å; E126-T130 PolarHBondContact O-OG1 2.97Å |
| 127 | L | 96.2 | Very high | 94.9 | Very high | 121 Ų | 121 | 95.5 Ų | 95.5 | 63% | 0.634 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.9 | -43.3 | 178.5 | -174.6 | 66 | 0 | 0 | 0 | 112.1 | K123 A124 T130 F131 | K123-L127 VanDerWaalsContact O-CB 3.32Å; K123-L127 WeakPolarHBondContact O-CB 3.26Å; K123-L127 PolarHBondContact O-N 2.92Å; A124-L127 PolarHBondContact O-N 3.33Å; L127-T130 WeakPolarHBondContact CA-OG1 3.38Å; L127-T130 PolarHBondContact O-N 3.43Å; L127-T130 PolarHBondContact O-OG1 2.82Å; L127-F131 WeakPolarHBondContact O-CB 3.34Å; L127-F131 PolarHBondContact O-N 3.48Å |
| 128 | T | 95 | Very high | 94.9 | Very high | 68 Ų | 68 | 94 Ų | 94 | 42% | 0.417 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.7 | -40.5 | 177.3 | 47.3 | 0 | 0 | 0 | 0 | 111.9 | A124 L125 F131 F132 | A124-T128 WeakPolarHBondContact O-CB 3.3Å; A124-T128 WeakPolarHBondContact O-CG2 3.41Å; A124-T128 PolarHBondContact O-N 3.49Å; A124-T128 PolarHBondContact O-OG1 3.48Å; L125-T128 WeakPolarHBondContact CA-OG1 3.37Å; L125-T128 PolarHBondContact O-N 2.83Å; L125-T128 PolarHBondContact O-OG1 2.92Å; L125-T128 VanDerWaalsContact O-OG1 3.05Å; T128-F131 PolarHBondContact O-N 2.81Å; T128-F132 WeakPolarHBondContact O-CD2 3.48Å; T128-F132 PolarHBondContact O-N 3.48Å |
| 129 | L | 96.9 | Very high | 95.3 | Very high | 111 Ų | 111 | 97.6 Ų | 97.6 | 58% | 0.581 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.7 | -46.6 | 174.6 | -173.8 | 67.8 | 0 | 0 | 0 | 111.5 | L125 E126 F131 F132 T133 | L125-L129 VanDerWaalsContact O-CB 3.29Å; L125-L129 WeakPolarHBondContact O-CB 3.32Å; L125-L129 PolarHBondContact O-N 3.13Å; E126-L129 PolarHBondContact O-N 3.22Å; L129-F131 VanDerWaalsContact C-N 3.35Å; L129-F131 PolarHBondContact O-N 2.98Å; L129-F132 PolarHBondContact O-N 3.32Å; L129-T133 WeakPolarHBondContact O-CG2 3.44Å; L129-T133 PolarHBondContact O-N 3.27Å; L129-T133 PolarHBondContact O-OG1 2.99Å |
| 130 | T | 96.4 | Very high | 95.4 | Very high | 79 Ų | 79 | 97.2 Ų | 97.2 | 49% | 0.485 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.2 | -39.9 | 177.5 | 49.9 | 0 | 0 | 0 | 0 | 112 | E126 L127 T133 F134 | E126-T130 WeakPolarHBondContact O-CG2 3.42Å; E126-T130 PolarHBondContact O-N 3.39Å; E126-T130 PolarHBondContact O-OG1 2.97Å; L127-T130 WeakPolarHBondContact CA-OG1 3.38Å; L127-T130 PolarHBondContact O-N 3.43Å; L127-T130 PolarHBondContact O-OG1 2.82Å; T130-T133 WeakPolarHBondContact CA-OG1 3.37Å; T130-T133 PolarHBondContact O-N 2.84Å; T130-T133 PolarHBondContact O-OG1 3.47Å; T130-F134 PolarHBondContact O-N 3.1Å |
| 131 | F | 96.6 | Very high | 95.5 | Very high | 117 Ų | 117 | 95.6 Ų | 95.6 | 51% | 0.513 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.2 | -46.6 | 171.8 | 177.8 | -105.6 | 0 | 0 | 0 | 112.6 | L127 T128 L129 T133 F134 L135 | L127-F131 WeakPolarHBondContact O-CB 3.34Å; L127-F131 PolarHBondContact O-N 3.48Å; T128-F131 PolarHBondContact O-N 2.81Å; L129-F131 VanDerWaalsContact C-N 3.35Å; L129-F131 PolarHBondContact O-N 2.98Å; F131-T133 PolarHBondContact O-N 3.07Å; F131-F134 PolarHBondContact O-N 2.94Å; F131-L135 HydrophobicContact CD1-CD1 4.02Å; F131-L135 HydrophobicContact CD1-CG 4.48Å; F131-L135 HydrophobicContact CE1-CD1 3.41Å; F131-L135 VanDerWaalsContact CE1-CD1 3.41Å; F131-L135 HydrophobicContact CE1-CG 4.12Å; F131-L135 HydrophobicContact CE2-CD1 4.39Å; F131-L135 HydrophobicContact CE2-CD2 4.44Å; F131-L135 HydrophobicContact CE2-CG 4.3Å; F131-L135 HydrophobicContact CZ-CD1 3.63Å; F131-L135 HydrophobicContact CZ-CD2 4.26Å; F131-L135 HydrophobicContact CZ-CG 4.02Å; F131-L135 WeakPolarHBondContact O-CG 3.32Å; F131-L135 PolarHBondContact O-N 3.38Å |
| 132 | F | 95.9 | Very high | 95.4 | Very high | 134 Ų | 134 | 93.1 Ų | 93.1 | 59% | 0.588 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.1 | -39.9 | 176.1 | -78.6 | -61.5 | 0 | 0 | 0 | 112.9 | T128 L129 F134 L135 Y136 | T128-F132 WeakPolarHBondContact O-CD2 3.48Å; T128-F132 PolarHBondContact O-N 3.48Å; L129-F132 PolarHBondContact O-N 3.32Å; F132-F134 VanDerWaalsContact C-N 3.32Å; F132-F134 PolarHBondContact O-N 3.04Å; F132-L135 PolarHBondContact O-N 3.42Å; F132-Y136 WeakPolarHBondContact O-CB 3.31Å; F132-Y136 PolarHBondContact O-N 3.44Å |
| 133 | T | 95.7 | Very high | 95.2 | Very high | 75 Ų | 75 | 91.6 Ų | 91.6 | 46% | 0.46 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.8 | -34.8 | 175.8 | 59.2 | 0 | 0 | 0 | 0 | 112.6 | L129 T130 F131 S137 | L129-T133 WeakPolarHBondContact O-CG2 3.44Å; L129-T133 PolarHBondContact O-N 3.27Å; L129-T133 PolarHBondContact O-OG1 2.99Å; T130-T133 WeakPolarHBondContact CA-OG1 3.37Å; T130-T133 PolarHBondContact O-N 2.84Å; T130-T133 PolarHBondContact O-OG1 3.47Å; F131-T133 PolarHBondContact O-N 3.07Å; T133-S137 WeakPolarHBondContact O-CB 3.32Å; T133-S137 PolarHBondContact O-N 2.7Å; T133-S137 PolarHBondContact O-OG 2.9Å |
| 134 | F | 96.3 | Very high | 95.1 | Very high | 137 Ų | 137 | 88.7 Ų | 88.7 | 60% | 0.601 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -66.1 | -48.2 | 172.6 | 175.9 | -98.6 | 0 | 0 | 0 | 111.6 | T130 F131 F132 Y136 S137 S138 | T130-F134 PolarHBondContact O-N 3.1Å; F131-F134 PolarHBondContact O-N 2.94Å; F132-F134 VanDerWaalsContact C-N 3.32Å; F132-F134 PolarHBondContact O-N 3.04Å; F134-Y136 VanDerWaalsContact C-N 3.34Å; F134-Y136 PolarHBondContact O-N 3.15Å; F134-S137 PolarHBondContact O-N 2.96Å; F134-S138 WeakPolarHBondContact O-CB 3.42Å; F134-S138 PolarHBondContact O-N 2.94Å |
| 135 | L | 96.1 | Very high | 95.1 | Very high | 78 Ų | 78 | 94.3 Ų | 94.3 | 41% | 0.408 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.5 | -45.2 | 176 | -73.5 | -175.7 | 0 | 0 | 0 | 111.9 | F131 F132 S138 L139 | F131-L135 HydrophobicContact CD1-CD1 4.02Å; F131-L135 HydrophobicContact CD1-CG 4.48Å; F131-L135 HydrophobicContact CE1-CD1 3.41Å; F131-L135 VanDerWaalsContact CE1-CD1 3.41Å; F131-L135 HydrophobicContact CE1-CG 4.12Å; F131-L135 HydrophobicContact CE2-CD1 4.39Å; F131-L135 HydrophobicContact CE2-CD2 4.44Å; F131-L135 HydrophobicContact CE2-CG 4.3Å; F131-L135 HydrophobicContact CZ-CD1 3.63Å; F131-L135 HydrophobicContact CZ-CD2 4.26Å; F131-L135 HydrophobicContact CZ-CG 4.02Å; F131-L135 WeakPolarHBondContact O-CG 3.32Å; F131-L135 PolarHBondContact O-N 3.38Å; F132-L135 PolarHBondContact O-N 3.42Å; L135-S138 PolarHBondContact O-N 3.06Å; L135-L139 WeakPolarHBondContact O-CB 3.3Å; L135-L139 PolarHBondContact O-N 3.31Å |
| 136 | Y | 96 | Very high | 95 | Very high | 162 Ų | 162 | 94.5 Ų | 94.5 | 64% | 0.635 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60 | -48 | 175.9 | 176.4 | -98 | 0 | 0 | 0 | 111.7 | F132 F134 S138 L139 V140 | F132-Y136 WeakPolarHBondContact O-CB 3.31Å; F132-Y136 PolarHBondContact O-N 3.44Å; F134-Y136 VanDerWaalsContact C-N 3.34Å; F134-Y136 PolarHBondContact O-N 3.15Å; Y136-S138 VanDerWaalsContact C-N 3.32Å; Y136-S138 PolarHBondContact O-N 3.29Å; Y136-L139 PolarHBondContact O-N 3.3Å; Y136-V140 HydrophobicContact CD1-CG2 4.28Å; Y136-V140 HydrophobicContact CD2-CG2 4.3Å; Y136-V140 HydrophobicContact CE1-CG2 3.86Å; Y136-V140 HydrophobicContact CE2-CG2 3.88Å; Y136-V140 HydrophobicContact CG-CG2 4.49Å; Y136-V140 WeakPolarHBondContact O-CB 3.17Å; Y136-V140 WeakPolarHBondContact O-CG2 3.3Å; Y136-V140 PolarHBondContact O-N 3.29Å |
| 137 | S | 95.7 | Very high | 94.9 | Very high | 75 Ų | 75 | 99.4 Ų | 99.4 | 52% | 0.524 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.2 | -39 | 179.7 | -56.5 | 0 | 0 | 0 | 0 | 112 | T133 F134 G141 | T133-S137 WeakPolarHBondContact O-CB 3.32Å; T133-S137 PolarHBondContact O-N 2.7Å; T133-S137 PolarHBondContact O-OG 2.9Å; F134-S137 PolarHBondContact O-N 2.96Å; S137-G141 PolarHBondContact O-N 3.39Å |
| 138 | S | 94.3 | Very high | 94.6 | Very high | 59 Ų | 59 | 97.2 Ų | 97.2 | 41% | 0.413 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.3 | -42.8 | 174.5 | -174.8 | 0 | 0 | 0 | 0 | 112.1 | F134 L135 Y136 G141 T142 | F134-S138 WeakPolarHBondContact O-CB 3.42Å; F134-S138 PolarHBondContact O-N 2.94Å; L135-S138 PolarHBondContact O-N 3.06Å; Y136-S138 VanDerWaalsContact C-N 3.32Å; Y136-S138 PolarHBondContact O-N 3.29Å; S138-G141 PolarHBondContact O-N 2.96Å; S138-T142 WeakPolarHBondContact O-CB 3.3Å; S138-T142 WeakPolarHBondContact O-CG2 3.35Å; S138-T142 PolarHBondContact O-N 2.88Å; S138-T142 PolarHBondContact O-OG1 2.96Å |
| 139 | L | 96.3 | Very high | 94.5 | Very high | 117 Ų | 117 | 97.3 Ų | 97.3 | 61% | 0.613 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66.4 | -40.8 | 177.3 | -174.4 | 63.9 | 0 | 0 | 0 | 112.1 | L135 Y136 T142 S143 | L135-L139 WeakPolarHBondContact O-CB 3.3Å; L135-L139 PolarHBondContact O-N 3.31Å; Y136-L139 PolarHBondContact O-N 3.3Å; L139-T142 WeakPolarHBondContact CA-OG1 3.39Å; L139-T142 PolarHBondContact O-OG1 2.82Å; L139-S143 VanDerWaalsContact O-CB 3.27Å; L139-S143 WeakPolarHBondContact O-CB 3.25Å; L139-S143 PolarHBondContact O-N 3.07Å; L139-S143 PolarHBondContact O-OG 3.27Å |
| 140 | V | 95.6 | Very high | 94.3 | Very high | 66 Ų | 66 | 95.2 Ų | 95.2 | 40% | 0.4 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.7 | -43 | 174.1 | 172.6 | 0 | 0 | 0 | 0 | 110.9 | Y136 S143 A144 | Y136-V140 HydrophobicContact CD1-CG2 4.28Å; Y136-V140 HydrophobicContact CD2-CG2 4.3Å; Y136-V140 HydrophobicContact CE1-CG2 3.86Å; Y136-V140 HydrophobicContact CE2-CG2 3.88Å; Y136-V140 HydrophobicContact CG-CG2 4.49Å; Y136-V140 WeakPolarHBondContact O-CB 3.17Å; Y136-V140 WeakPolarHBondContact O-CG2 3.3Å; Y136-V140 PolarHBondContact O-N 3.29Å; V140-S143 WeakPolarHBondContact CA-OG 3.49Å; V140-S143 PolarHBondContact O-OG 2.72Å; V140-S143 VanDerWaalsContact O-OG 3.1Å; V140-A144 WeakPolarHBondContact O-CB 3.49Å; V140-A144 PolarHBondContact O-N 2.89Å |
| 141 | G | 93.6 | Very high | 94.2 | Very high | 42 Ų | 42 | 96.3 Ų | 96.3 | 43% | 0.433 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.2 | -46.5 | 177 | 0 | 0 | 0 | 0 | 0 | 113.1 | S137 S138 A144 F145 | S137-G141 PolarHBondContact O-N 3.39Å; S138-G141 PolarHBondContact O-N 2.96Å; G141-A144 PolarHBondContact O-N 3.43Å; G141-F145 WeakPolarHBondContact O-CB 3.14Å; G141-F145 PolarHBondContact O-N 3.47Å |
| 142 | T | 92.2 | Very high | 94.1 | Very high | 68 Ų | 68 | 96.3 Ų | 96.3 | 42% | 0.417 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67.4 | -41.5 | 178.1 | 49.3 | 0 | 0 | 0 | 0 | 112.5 | S138 L139 F145 L146 | S138-T142 WeakPolarHBondContact O-CB 3.3Å; S138-T142 WeakPolarHBondContact O-CG2 3.35Å; S138-T142 PolarHBondContact O-N 2.88Å; S138-T142 PolarHBondContact O-OG1 2.96Å; L139-T142 WeakPolarHBondContact CA-OG1 3.39Å; L139-T142 PolarHBondContact O-OG1 2.82Å; T142-F145 PolarHBondContact O-N 2.87Å; T142-L146 WeakPolarHBondContact O-CB 3.39Å; T142-L146 WeakPolarHBondContact O-CG 3.11Å; T142-L146 PolarHBondContact O-N 3.26Å |
| 143 | S | 90.2 | Very high | 94.1 | Very high | 63 Ų | 63 | 95.1 Ų | 95.1 | 44% | 0.441 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.6 | -39.2 | 174.8 | 56.6 | 0 | 0 | 0 | 0 | 112.6 | L139 V140 L146 W147 | L139-S143 VanDerWaalsContact O-CB 3.27Å; L139-S143 WeakPolarHBondContact O-CB 3.25Å; L139-S143 PolarHBondContact O-N 3.07Å; L139-S143 PolarHBondContact O-OG 3.27Å; V140-S143 WeakPolarHBondContact CA-OG 3.49Å; V140-S143 PolarHBondContact O-OG 2.72Å; V140-S143 VanDerWaalsContact O-OG 3.1Å; S143-L146 PolarHBondContact O-N 3.38Å; S143-W147 VanDerWaalsContact O-CB 3.3Å; S143-W147 WeakPolarHBondContact O-CB 3.27Å; S143-W147 PolarHBondContact O-N 2.87Å |
| 144 | A | 92.5 | Very high | 94.1 | Very high | 64 Ų | 64 | 96.3 Ų | 96.3 | 53% | 0.529 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.4 | -39.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | V140 G141 W147 | V140-A144 WeakPolarHBondContact O-CB 3.49Å; V140-A144 PolarHBondContact O-N 2.89Å; G141-A144 PolarHBondContact O-N 3.43Å; A144-W147 PolarHBondContact O-N 3.36Å |
| 145 | F | 92.7 | Very high | 94.1 | Very high | 166 Ų | 166 | 93.5 Ų | 93.5 | 73% | 0.728 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.5 | -42.2 | 175.1 | -174.6 | -98.7 | 0 | 0 | 0 | 112.2 | G141 T142 P149 | G141-F145 WeakPolarHBondContact O-CB 3.14Å; G141-F145 PolarHBondContact O-N 3.47Å; T142-F145 PolarHBondContact O-N 2.87Å; F145-P149 WeakPolarHBondContact O-CD 3.34Å |
| 146 | L | 93.8 | Very high | 94.1 | Very high | 109 Ų | 109 | 96 Ų | 96 | 57% | 0.571 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -73 | -25.9 | 176.7 | -73.4 | 166.7 | 0 | 0 | 0 | 113.5 | T142 S143 S148 P149 C150 | T142-L146 WeakPolarHBondContact O-CB 3.39Å; T142-L146 WeakPolarHBondContact O-CG 3.11Å; T142-L146 PolarHBondContact O-N 3.26Å; S143-L146 PolarHBondContact O-N 3.38Å; L146-S148 PolarHBondContact O-N 2.88Å; L146-P149 VanDerWaalsContact O-CD 3.3Å; L146-P149 WeakPolarHBondContact O-CD 3.22Å; L146-P149 WeakPolarHBondContact O-CG 3.43Å; L146-C150 WeakPolarHBondContact O-CB 3.4Å; L146-C150 PolarHBondContact O-N 3.24Å |
| 147 | W | 94.4 | Very high | 94.1 | Very high | 177 Ų | 177 | 92.1 Ų | 92.1 | 67% | 0.67 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.1 | -43.1 | -179.2 | 177.4 | -106.4 | 0 | 0 | 0 | 112.6 | S143 A144 C150 K151 | S143-W147 VanDerWaalsContact O-CB 3.3Å; S143-W147 WeakPolarHBondContact O-CB 3.27Å; S143-W147 PolarHBondContact O-N 2.87Å; A144-W147 PolarHBondContact O-N 3.36Å; W147-C150 PolarHBondContact O-N 3.41Å; W147-K151 WeakPolarHBondContact O-CB 3.31Å; W147-K151 PolarHBondContact O-N 3.39Å |
| 148 | S | 90.5 | Very high | 94.1 | Very high | 74 Ų | 74 | 91.5 Ų | 91.5 | 52% | 0.517 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.6 | -56.3 | -179.3 | -175.3 | 0 | 0 | 0 | 0 | 113.7 | L146 C150 K151 L152 | L146-S148 PolarHBondContact O-N 2.88Å; S148-C150 PolarHBondContact O-N 2.76Å; S148-K151 PolarHBondContact O-N 2.86Å; S148-L152 PolarHBondContact O-N 2.85Å |
| 149 | P | 92.6 | Very high | 94.2 | Very high | 70 Ų | 70 | 92.4 Ų | 92.4 | 46% | 0.455 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.3 | -34.1 | 176.9 | 26.9 | -34.6 | 0 | 0 | 0 | 112.7 | F145 L146 L152 L153 | F145-P149 WeakPolarHBondContact O-CD 3.34Å; L146-P149 VanDerWaalsContact O-CD 3.3Å; L146-P149 WeakPolarHBondContact O-CD 3.22Å; L146-P149 WeakPolarHBondContact O-CG 3.43Å; P149-L152 PolarHBondContact O-N 3.24Å; P149-L153 PolarHBondContact O-N 3.08Å |
| 150 | C | 92.8 | Very high | 94.1 | Very high | 68 Ų | 68 | 90.5 Ų | 90.5 | 46% | 0.459 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.2 | -42.3 | 177.1 | -168.8 | 0 | 0 | 0 | 0 | 111.4 | L146 W147 S148 L153 L154 | L146-C150 WeakPolarHBondContact O-CB 3.4Å; L146-C150 PolarHBondContact O-N 3.24Å; W147-C150 PolarHBondContact O-N 3.41Å; S148-C150 PolarHBondContact O-N 2.76Å; C150-L153 PolarHBondContact O-N 2.99Å; C150-L154 WeakPolarHBondContact O-CG 3.43Å; C150-L154 PolarHBondContact O-N 3.25Å |
| 151 | K | 94.6 | Very high | 94.1 | Very high | 102 Ų | 102 | 91.3 Ų | 91.3 | 44% | 0.443 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.5 | -47.5 | 172.7 | -178.2 | -178.3 | 173.9 | -172.5 | 0 | 111.5 | W147 S148 L153 L154 D155 | W147-K151 WeakPolarHBondContact O-CB 3.31Å; W147-K151 PolarHBondContact O-N 3.39Å; S148-K151 PolarHBondContact O-N 2.86Å; K151-L153 VanDerWaalsContact C-N 3.27Å; K151-L153 PolarHBondContact O-N 3.13Å; K151-L154 PolarHBondContact O-N 3.39Å; K151-L154 VanDerWaalsContact O-N 3.13Å; K151-D155 VanDerWaalsContact CE-OD2 3.25Å; K151-D155 WeakPolarHBondContact CE-OD2 3.38Å; K151-D155 WeakPolarHBondContact CG-OD2 3.4Å; K151-D155 WeakPolarHBondContact O-CB 3.36Å; K151-D155 PolarHBondContact O-N 2.87Å |
| 152 | L | 95.2 | Very high | 94.2 | Very high | 116 Ų | 116 | 95.3 Ų | 95.3 | 61% | 0.607 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -57.8 | -39.4 | 176.3 | -79.5 | 170.7 | 0 | 0 | 0 | 112.4 | S148 P149 F156 | S148-L152 PolarHBondContact O-N 2.85Å; P149-L152 PolarHBondContact O-N 3.24Å; L152-F156 VanDerWaalsContact O-CB 3.3Å; L152-F156 WeakPolarHBondContact O-CB 3.41Å; L152-F156 PolarHBondContact O-N 3.17Å |
| 153 | L | 94.9 | Very high | 94.3 | Very high | 109 Ų | 109 | 96.8 Ų | 96.8 | 57% | 0.571 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -66.4 | -40.5 | 176.5 | -157.5 | 99.7 | 0 | 0 | 0 | 111.9 | P149 C150 K151 L157 | P149-L153 PolarHBondContact O-N 3.08Å; C150-L153 PolarHBondContact O-N 2.99Å; K151-L153 VanDerWaalsContact C-N 3.27Å; K151-L153 PolarHBondContact O-N 3.13Å; L153-L157 HydrophobicContact CD2-CD1 4.24Å; L153-L157 WeakPolarHBondContact O-CB 3.39Å; L153-L157 VanDerWaalsContact O-CG 3.31Å; L153-L157 WeakPolarHBondContact O-CG 3.34Å; L153-L157 PolarHBondContact O-N 3.01Å |
| 154 | L | 95.2 | Very high | 94.3 | Very high | 100 Ų | 100 | 99.4 Ų | 99.4 | 52% | 0.524 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.5 | -43.6 | 175.8 | -70.9 | 170.5 | 0 | 0 | 0 | 112.1 | C150 K151 F156 L157 A158 | C150-L154 WeakPolarHBondContact O-CG 3.43Å; C150-L154 PolarHBondContact O-N 3.25Å; K151-L154 PolarHBondContact O-N 3.39Å; K151-L154 VanDerWaalsContact O-N 3.13Å; L154-F156 VanDerWaalsContact C-N 3.32Å; L154-F156 PolarHBondContact O-N 3Å; L154-L157 PolarHBondContact O-N 3.4Å; L154-A158 WeakPolarHBondContact O-CB 3.33Å; L154-A158 PolarHBondContact O-N 3.45Å |
| 155 | D | 96.3 | Very high | 94.3 | Very high | 78 Ų | 78 | 100.2 Ų | 100.2 | 42% | 0.417 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.9 | -38.3 | 176.3 | -70.8 | -21 | 0 | 0 | 0 | 110.8 | K151 S159 | K151-D155 VanDerWaalsContact CE-OD2 3.25Å; K151-D155 WeakPolarHBondContact CE-OD2 3.38Å; K151-D155 WeakPolarHBondContact CG-OD2 3.4Å; K151-D155 WeakPolarHBondContact O-CB 3.36Å; K151-D155 PolarHBondContact O-N 2.87Å; D155-S159 WeakPolarHBondContact O-CB 3.38Å; D155-S159 PolarHBondContact O-N 3.16Å; D155-S159 PolarHBondContact O-OG 2.84Å |
| 156 | F | 96.4 | Very high | 94.3 | Very high | 131 Ų | 131 | 94.8 Ų | 94.8 | 58% | 0.575 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.8 | -47.7 | 171.9 | 175 | -99.2 | 0 | 0 | 0 | 112.2 | L152 L154 A158 S159 L160 | L152-F156 VanDerWaalsContact O-CB 3.3Å; L152-F156 WeakPolarHBondContact O-CB 3.41Å; L152-F156 PolarHBondContact O-N 3.17Å; L154-F156 VanDerWaalsContact C-N 3.32Å; L154-F156 PolarHBondContact O-N 3Å; F156-A158 PolarHBondContact O-N 2.87Å; F156-S159 PolarHBondContact O-N 3.08Å; F156-L160 HydrophobicContact CE1-CD2 4.46Å; F156-L160 WeakPolarHBondContact O-CB 3.42Å; F156-L160 PolarHBondContact O-N 3.26Å |
| 157 | L | 95.6 | Very high | 94.2 | Very high | 81 Ų | 81 | 94 Ų | 94 | 42% | 0.424 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.4 | -43 | 177.2 | -78.1 | 166.9 | 0 | 0 | 0 | 111.8 | L153 L154 S159 L160 V161 | L153-L157 HydrophobicContact CD2-CD1 4.24Å; L153-L157 WeakPolarHBondContact O-CB 3.39Å; L153-L157 VanDerWaalsContact O-CG 3.31Å; L153-L157 WeakPolarHBondContact O-CG 3.34Å; L153-L157 PolarHBondContact O-N 3.01Å; L154-L157 PolarHBondContact O-N 3.4Å; L157-S159 VanDerWaalsContact C-N 3.34Å; L157-S159 PolarHBondContact O-N 3.47Å; L157-L160 PolarHBondContact O-N 2.88Å; L157-V161 WeakPolarHBondContact O-CB 3.28Å; L157-V161 WeakPolarHBondContact O-CG2 3.48Å; L157-V161 PolarHBondContact O-N 2.83Å |
| 158 | A | 96.3 | Very high | 93.9 | Very high | 62 Ų | 62 | 90.6 Ų | 90.6 | 51% | 0.512 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.7 | -42.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L154 F156 V161 H162 | L154-A158 WeakPolarHBondContact O-CB 3.33Å; L154-A158 PolarHBondContact O-N 3.45Å; F156-A158 PolarHBondContact O-N 2.87Å; A158-V161 PolarHBondContact O-N 2.76Å; A158-H162 WeakPolarHBondContact O-CB 3.47Å; A158-H162 PolarHBondContact O-N 2.78Å |
| 159 | S | 96 | Very high | 93.9 | Very high | 77 Ų | 77 | 90.9 Ų | 90.9 | 54% | 0.538 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.3 | -40.9 | 176.1 | -59.3 | 0 | 0 | 0 | 0 | 112.3 | D155 F156 L157 H162 M163 | D155-S159 WeakPolarHBondContact O-CB 3.38Å; D155-S159 PolarHBondContact O-N 3.16Å; D155-S159 PolarHBondContact O-OG 2.84Å; F156-S159 PolarHBondContact O-N 3.08Å; L157-S159 VanDerWaalsContact C-N 3.34Å; L157-S159 PolarHBondContact O-N 3.47Å; S159-H162 PolarHBondContact O-N 3.44Å; S159-M163 WeakPolarHBondContact O-CB 3.29Å; S159-M163 PolarHBondContact O-N 2.82Å |
| 160 | L | 95.4 | Very high | 93.7 | Very high | 78 Ų | 78 | 93.7 Ų | 93.7 | 41% | 0.408 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.7 | -44.9 | 176 | -176.1 | 69.9 | 0 | 0 | 0 | 111.3 | F156 L157 M163 F164 | F156-L160 HydrophobicContact CE1-CD2 4.46Å; F156-L160 WeakPolarHBondContact O-CB 3.42Å; F156-L160 PolarHBondContact O-N 3.26Å; L157-L160 PolarHBondContact O-N 2.88Å; L160-M163 HydrophobicContact CD1-CE 4.11Å; L160-M163 PolarHBondContact O-N 2.85Å; L160-F164 WeakPolarHBondContact O-CB 3.47Å; L160-F164 PolarHBondContact O-N 3.46Å |
| 161 | V | 95.4 | Very high | 93.5 | Very high | 82 Ų | 82 | 95.7 Ų | 95.7 | 50% | 0.497 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.4 | -42.9 | 174.8 | 169.4 | 0 | 0 | 0 | 0 | 110.8 | L157 A158 M163 F164 I165 | L157-V161 WeakPolarHBondContact O-CB 3.28Å; L157-V161 WeakPolarHBondContact O-CG2 3.48Å; L157-V161 PolarHBondContact O-N 2.83Å; A158-V161 PolarHBondContact O-N 2.76Å; V161-M163 PolarHBondContact O-N 2.92Å; V161-F164 PolarHBondContact O-N 3.23Å; V161-I165 HydrophobicContact CG1-CD1 3.66Å; V161-I165 HydrophobicContact CG1-CG1 4.33Å; V161-I165 WeakPolarHBondContact O-CB 3.48Å; V161-I165 VanDerWaalsContact O-CG1 3.26Å; V161-I165 WeakPolarHBondContact O-CG1 3.38Å; V161-I165 PolarHBondContact O-N 3.41Å |
| 162 | H | 94.9 | Very high | 93.3 | Very high | 127 Ų | 127 | 95.8 Ų | 95.8 | 59% | 0.588 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.6 | -42.6 | 176 | -175.7 | -84.8 | 0 | 0 | 0 | 112.2 | A158 S159 S166 | A158-H162 WeakPolarHBondContact O-CB 3.47Å; A158-H162 PolarHBondContact O-N 2.78Å; S159-H162 PolarHBondContact O-N 3.44Å; H162-S166 PolarHBondContact CE1-OG 3.29Å; H162-S166 VanDerWaalsContact O-CB 3.28Å; H162-S166 WeakPolarHBondContact O-CB 3.38Å; H162-S166 PolarHBondContact O-N 2.94Å; H162-S166 PolarHBondContact O-OG 2.94Å |
| 163 | M | 94.3 | Very high | 93.2 | Very high | 99 Ų | 99 | 97.6 Ų | 97.6 | 49% | 0.488 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.7 | -46.6 | 174.3 | -173.6 | -163.4 | 75.4 | 0 | 0 | 111.1 | S159 L160 V161 S166 I167 | S159-M163 WeakPolarHBondContact O-CB 3.29Å; S159-M163 PolarHBondContact O-N 2.82Å; L160-M163 HydrophobicContact CD1-CE 4.11Å; L160-M163 PolarHBondContact O-N 2.85Å; V161-M163 PolarHBondContact O-N 2.92Å; M163-S166 PolarHBondContact O-N 2.93Å; M163-I167 HydrophobicContact CE-CD1 4.1Å; M163-I167 HydrophobicContact CG-CD1 3.8Å; M163-I167 HydrophobicContact CG-CG1 4.47Å; M163-I167 VanDerWaalsContact O-CG1 3.32Å; M163-I167 WeakPolarHBondContact O-CG1 3.43Å; M163-I167 PolarHBondContact O-N 2.97Å; M163-I167 HydrophobicContact SD-CD1 4.27Å |
| 164 | F | 91.4 | Very high | 92.9 | Very high | 118 Ų | 118 | 94 Ų | 94 | 52% | 0.518 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.2 | -52 | 177.5 | -171 | -87.3 | 0 | 0 | 0 | 111 | L160 V161 S166 I167 F168 | L160-F164 WeakPolarHBondContact O-CB 3.47Å; L160-F164 PolarHBondContact O-N 3.46Å; V161-F164 PolarHBondContact O-N 3.23Å; F164-S166 VanDerWaalsContact C-N 3.3Å; F164-S166 PolarHBondContact O-N 3.37Å; F164-I167 PolarHBondContact O-N 3.5Å; F164-F168 AromaticContact CD1-CD2 3.8Å; F164-F168 HydrophobicContact CD1-CD2 3.8Å; F164-F168 HydrophobicContact CD1-CE2 4.07Å; F164-F168 HydrophobicContact CD1-CG 4.47Å; F164-F168 HydrophobicContact CD2-CD2 4.16Å; F164-F168 AromaticContact CD2-CE2 3.79Å; F164-F168 HydrophobicContact CD2-CE2 3.79Å; F164-F168 AromaticContact CE1-CD2 3.65Å; F164-F168 HydrophobicContact CE1-CD2 3.65Å; F164-F168 AromaticContact CE1-CE2 3.62Å; F164-F168 HydrophobicContact CE1-CE2 3.62Å; F164-F168 HydrophobicContact CE1-CG 4.17Å; F164-F168 HydrophobicContact CE1-CZ 4.11Å; F164-F168 HydrophobicContact CE2-CD2 4.04Å; F164-F168 AromaticContact CE2-CE2 3.31Å; F164-F168 HydrophobicContact CE2-CE2 3.31Å; F164-F168 AromaticContact CE2-CZ 3.92Å; F164-F168 HydrophobicContact CE2-CZ 3.92Å; F164-F168 HydrophobicContact CG-CD2 4.05Å; F164-F168 HydrophobicContact CG-CE2 4.15Å; F164-F168 AromaticContact CZ-CD2 3.79Å; F164-F168 HydrophobicContact CZ-CD2 3.79Å; F164-F168 HydrophobicContact CZ-CE1 4.32Å; F164-F168 AromaticContact CZ-CE2 3.22Å; F164-F168 HydrophobicContact CZ-CE2 3.22Å; F164-F168 AromaticContact CZ-CZ 3.53Å; F164-F168 HydrophobicContact CZ-CZ 3.53Å; F164-F168 WeakPolarHBondContact O-CB 3.29Å; F164-F168 VanDerWaalsContact O-CD2 3.3Å; F164-F168 WeakPolarHBondContact O-CD2 3.48Å; F164-F168 PolarHBondContact O-N 2.92Å |
| 165 | I | 92.2 | Very high | 92.7 | Very high | 81 Ų | 81 | 94.5 Ų | 94.5 | 42% | 0.415 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -55.7 | -46.2 | 175.7 | -70.3 | 169.8 | 0 | 0 | 0 | 110.5 | V161 I167 F168 I169 | V161-I165 HydrophobicContact CG1-CD1 3.66Å; V161-I165 HydrophobicContact CG1-CG1 4.33Å; V161-I165 WeakPolarHBondContact O-CB 3.48Å; V161-I165 VanDerWaalsContact O-CG1 3.26Å; V161-I165 WeakPolarHBondContact O-CG1 3.38Å; V161-I165 PolarHBondContact O-N 3.41Å; I165-I167 PolarHBondContact O-N 2.83Å; I165-F168 PolarHBondContact O-N 2.72Å; I165-I169 HydrophobicContact CG2-CD1 3.49Å; I165-I169 VanDerWaalsContact CG2-CD1 3.49Å; I165-I169 HydrophobicContact CG2-CG1 4.19Å; I165-I169 WeakPolarHBondContact O-CB 3.42Å; I165-I169 VanDerWaalsContact O-CG1 3.22Å; I165-I169 WeakPolarHBondContact O-CG1 3.34Å; I165-I169 PolarHBondContact O-N 3.33Å |
| 166 | S | 91.6 | Very high | 92.5 | Very high | 51 Ų | 51 | 95.5 Ų | 95.5 | 36% | 0.357 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.1 | -45.3 | -179.7 | -60.4 | 0 | 0 | 0 | 0 | 112.5 | H162 M163 F164 L170 | H162-S166 PolarHBondContact CE1-OG 3.29Å; H162-S166 VanDerWaalsContact O-CB 3.28Å; H162-S166 WeakPolarHBondContact O-CB 3.38Å; H162-S166 PolarHBondContact O-N 2.94Å; H162-S166 PolarHBondContact O-OG 2.94Å; M163-S166 PolarHBondContact O-N 2.93Å; F164-S166 VanDerWaalsContact C-N 3.3Å; F164-S166 PolarHBondContact O-N 3.37Å; S166-L170 WeakPolarHBondContact O-CB 3.13Å; S166-L170 PolarHBondContact O-N 2.83Å |
| 167 | I | 91.7 | Very high | 92.3 | Very high | 94 Ų | 94 | 94.3 Ų | 94.3 | 48% | 0.482 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65 | -47.6 | 178.4 | -69.2 | 167.7 | 0 | 0 | 0 | 110.5 | M163 F164 I165 L170 N171 | M163-I167 HydrophobicContact CE-CD1 4.1Å; M163-I167 HydrophobicContact CG-CD1 3.8Å; M163-I167 HydrophobicContact CG-CG1 4.47Å; M163-I167 VanDerWaalsContact O-CG1 3.32Å; M163-I167 WeakPolarHBondContact O-CG1 3.43Å; M163-I167 PolarHBondContact O-N 2.97Å; M163-I167 HydrophobicContact SD-CD1 4.27Å; F164-I167 PolarHBondContact O-N 3.5Å; I165-I167 PolarHBondContact O-N 2.83Å; I167-L170 PolarHBondContact O-N 3.46Å; I167-N171 VanDerWaalsContact O-CB 3.23Å; I167-N171 WeakPolarHBondContact O-CB 3.49Å; I167-N171 PolarHBondContact O-N 3.34Å |
| 168 | F | 89.1 | Confident | 92.1 | Very high | 104 Ų | 104 | 94.4 Ų | 94.4 | 46% | 0.456 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.9 | -42.9 | -179.4 | -86.4 | -100.7 | 0 | 0 | 0 | 111.9 | F164 I165 N171 I172 | F164-F168 AromaticContact CD1-CD2 3.8Å; F164-F168 HydrophobicContact CD1-CD2 3.8Å; F164-F168 HydrophobicContact CD1-CE2 4.07Å; F164-F168 HydrophobicContact CD1-CG 4.47Å; F164-F168 HydrophobicContact CD2-CD2 4.16Å; F164-F168 AromaticContact CD2-CE2 3.79Å; F164-F168 HydrophobicContact CD2-CE2 3.79Å; F164-F168 AromaticContact CE1-CD2 3.65Å; F164-F168 HydrophobicContact CE1-CD2 3.65Å; F164-F168 AromaticContact CE1-CE2 3.62Å; F164-F168 HydrophobicContact CE1-CE2 3.62Å; F164-F168 HydrophobicContact CE1-CG 4.17Å; F164-F168 HydrophobicContact CE1-CZ 4.11Å; F164-F168 HydrophobicContact CE2-CD2 4.04Å; F164-F168 AromaticContact CE2-CE2 3.31Å; F164-F168 HydrophobicContact CE2-CE2 3.31Å; F164-F168 AromaticContact CE2-CZ 3.92Å; F164-F168 HydrophobicContact CE2-CZ 3.92Å; F164-F168 HydrophobicContact CG-CD2 4.05Å; F164-F168 HydrophobicContact CG-CE2 4.15Å; F164-F168 AromaticContact CZ-CD2 3.79Å; F164-F168 HydrophobicContact CZ-CD2 3.79Å; F164-F168 HydrophobicContact CZ-CE1 4.32Å; F164-F168 AromaticContact CZ-CE2 3.22Å; F164-F168 HydrophobicContact CZ-CE2 3.22Å; F164-F168 AromaticContact CZ-CZ 3.53Å; F164-F168 HydrophobicContact CZ-CZ 3.53Å; F164-F168 WeakPolarHBondContact O-CB 3.29Å; F164-F168 VanDerWaalsContact O-CD2 3.3Å; F164-F168 WeakPolarHBondContact O-CD2 3.48Å; F164-F168 PolarHBondContact O-N 2.92Å; I165-F168 PolarHBondContact O-N 2.72Å; F168-N171 PolarHBondContact O-N 3.44Å; F168-I172 WeakPolarHBondContact O-CB 3.36Å; F168-I172 WeakPolarHBondContact O-CD1 3.46Å; F168-I172 WeakPolarHBondContact O-CG1 3.42Å; F168-I172 PolarHBondContact O-N 3.42Å |
| 169 | I | 89 | Confident | 92 | Very high | 81 Ų | 81 | 94.7 Ų | 94.7 | 42% | 0.415 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.5 | -46.2 | 175.8 | -73 | -178.8 | 0 | 0 | 0 | 111 | I165 N171 I172 Y173 | I165-I169 HydrophobicContact CG2-CD1 3.49Å; I165-I169 VanDerWaalsContact CG2-CD1 3.49Å; I165-I169 HydrophobicContact CG2-CG1 4.19Å; I165-I169 WeakPolarHBondContact O-CB 3.42Å; I165-I169 VanDerWaalsContact O-CG1 3.22Å; I165-I169 WeakPolarHBondContact O-CG1 3.34Å; I165-I169 PolarHBondContact O-N 3.33Å; I169-N171 VanDerWaalsContact C-N 3.34Å; I169-N171 PolarHBondContact O-N 2.75Å; I169-I172 PolarHBondContact O-N 2.82Å; I169-Y173 HydrophobicContact CG2-CD2 3.48Å; I169-Y173 VanDerWaalsContact CG2-CD2 3.48Å; I169-Y173 HydrophobicContact CG2-CE2 3.32Å; I169-Y173 VanDerWaalsContact O-CD2 3.27Å; I169-Y173 WeakPolarHBondContact O-CD2 3.46Å; I169-Y173 PolarHBondContact O-N 3.49Å |
| 170 | L | 89.9 | Confident | 91.8 | Very high | 128 Ų | 128 | 94 Ų | 94 | 67% | 0.67 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.9 | -39.5 | 178.8 | -175.5 | 63.2 | 0 | 0 | 0 | 111.7 | S166 I167 Y173 G174 | S166-L170 WeakPolarHBondContact O-CB 3.13Å; S166-L170 PolarHBondContact O-N 2.83Å; I167-L170 PolarHBondContact O-N 3.46Å; L170-Y173 PolarHBondContact O-N 3.03Å; L170-G174 PolarHBondContact O-N 3.13Å |
| 171 | N | 87.3 | Confident | 91.7 | Very high | 111 Ų | 111 | 94.7 Ų | 94.7 | 59% | 0.594 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -66.9 | -42.8 | 176.2 | -169.5 | 28.4 | 0 | 0 | 0 | 111.9 | I167 F168 I169 G174 L175 | I167-N171 VanDerWaalsContact O-CB 3.23Å; I167-N171 WeakPolarHBondContact O-CB 3.49Å; I167-N171 PolarHBondContact O-N 3.34Å; F168-N171 PolarHBondContact O-N 3.44Å; I169-N171 VanDerWaalsContact C-N 3.34Å; I169-N171 PolarHBondContact O-N 2.75Å; N171-G174 PolarHBondContact O-N 3.47Å; N171-L175 WeakPolarHBondContact O-CB 3.49Å; N171-L175 PolarHBondContact O-N 2.95Å |
| 172 | I | 91.6 | Very high | 91.5 | Very high | 104 Ų | 104 | 93.3 Ų | 93.3 | 53% | 0.533 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.1 | -45.4 | 175.1 | -71.3 | 164.8 | 0 | 0 | 0 | 110.8 | F168 I169 L175 L176 | F168-I172 WeakPolarHBondContact O-CB 3.36Å; F168-I172 WeakPolarHBondContact O-CD1 3.46Å; F168-I172 WeakPolarHBondContact O-CG1 3.42Å; F168-I172 PolarHBondContact O-N 3.42Å; I169-I172 PolarHBondContact O-N 2.82Å; I172-L175 PolarHBondContact O-N 3.19Å; I172-L176 WeakPolarHBondContact O-CB 3.4Å; I172-L176 PolarHBondContact O-N 2.92Å |
| 173 | Y | 91.8 | Very high | 91.3 | Very high | 154 Ų | 154 | 92.4 Ų | 92.4 | 60% | 0.604 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -67.4 | -37.8 | 176.4 | -75.6 | -51.6 | 0 | 0 | 0 | 112.7 | I169 L170 L176 L177 | I169-Y173 HydrophobicContact CG2-CD2 3.48Å; I169-Y173 VanDerWaalsContact CG2-CD2 3.48Å; I169-Y173 HydrophobicContact CG2-CE2 3.32Å; I169-Y173 VanDerWaalsContact O-CD2 3.27Å; I169-Y173 WeakPolarHBondContact O-CD2 3.46Å; I169-Y173 PolarHBondContact O-N 3.49Å; L170-Y173 PolarHBondContact O-N 3.03Å; Y173-L176 PolarHBondContact O-N 2.89Å; Y173-L177 VanDerWaalsContact O-CB 3.25Å; Y173-L177 WeakPolarHBondContact O-CB 3.36Å; Y173-L177 PolarHBondContact O-N 3.29Å |
| 174 | G | 90.3 | Very high | 91 | Very high | 33 Ų | 33 | 94.1 Ų | 94.1 | 34% | 0.34 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.7 | -41.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L170 N171 L177 T178 | L170-G174 PolarHBondContact O-N 3.13Å; N171-G174 PolarHBondContact O-N 3.47Å; G174-L177 PolarHBondContact O-N 2.88Å; G174-T178 WeakPolarHBondContact O-CB 3.3Å; G174-T178 WeakPolarHBondContact O-CG2 3.32Å; G174-T178 PolarHBondContact O-N 3.48Å; G174-T178 PolarHBondContact O-OG1 2.84Å |
| 175 | L | 90.8 | Very high | 91 | Very high | 110 Ų | 110 | 91.8 Ų | 91.8 | 58% | 0.576 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.4 | -44.1 | 172.8 | -175.6 | 64.2 | 0 | 0 | 0 | 111.4 | N171 I172 L177 T178 V179 | N171-L175 WeakPolarHBondContact O-CB 3.49Å; N171-L175 PolarHBondContact O-N 2.95Å; I172-L175 PolarHBondContact O-N 3.19Å; L175-L177 PolarHBondContact O-N 3.05Å; L175-T178 WeakPolarHBondContact CA-OG1 3.41Å; L175-T178 PolarHBondContact O-N 2.9Å; L175-T178 PolarHBondContact O-OG1 3.48Å; L175-V179 HydrophobicContact CD1-CG2 4.35Å; L175-V179 WeakPolarHBondContact O-CB 3.4Å; L175-V179 VanDerWaalsContact O-CG2 3.24Å; L175-V179 WeakPolarHBondContact O-CG2 3.45Å; L175-V179 PolarHBondContact O-N 3.46Å |
| 176 | L | 91.6 | Very high | 90.8 | Very high | 100 Ų | 100 | 91.6 Ų | 91.6 | 52% | 0.524 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.9 | -41.2 | 176.6 | -174.2 | 64.4 | 0 | 0 | 0 | 111.5 | I172 Y173 T180 | I172-L176 WeakPolarHBondContact O-CB 3.4Å; I172-L176 PolarHBondContact O-N 2.92Å; Y173-L176 PolarHBondContact O-N 2.89Å; L176-T180 HydrophobicContact CD1-CG2 4.45Å; L176-T180 WeakPolarHBondContact O-CB 3.37Å; L176-T180 WeakPolarHBondContact O-CG2 3.38Å; L176-T180 PolarHBondContact O-N 3.49Å; L176-T180 PolarHBondContact O-OG1 3.46Å |
| 177 | L | 92.2 | Very high | 90.5 | Very high | 106 Ų | 106 | 91 Ų | 91 | 56% | 0.555 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.5 | -47.3 | 176.7 | -170.6 | 78.3 | 0 | 0 | 0 | 111.3 | Y173 G174 L175 T180 I181 | Y173-L177 VanDerWaalsContact O-CB 3.25Å; Y173-L177 WeakPolarHBondContact O-CB 3.36Å; Y173-L177 PolarHBondContact O-N 3.29Å; G174-L177 PolarHBondContact O-N 2.88Å; L175-L177 PolarHBondContact O-N 3.05Å; L177-T180 WeakPolarHBondContact CA-OG1 3.41Å; L177-T180 PolarHBondContact O-N 2.81Å; L177-T180 PolarHBondContact O-OG1 2.93Å; L177-I181 HydrophobicContact CD1-CD1 4.5Å; L177-I181 HydrophobicContact CD2-CD1 4.37Å; L177-I181 HydrophobicContact CG-CD1 3.92Å; L177-I181 WeakPolarHBondContact O-CB 3.37Å; L177-I181 VanDerWaalsContact O-CG1 3.24Å; L177-I181 WeakPolarHBondContact O-CG1 3.2Å; L177-I181 PolarHBondContact O-N 2.96Å |
| 178 | T | 91.8 | Very high | 90.3 | Very high | 82 Ų | 82 | 96 Ų | 96 | 50% | 0.503 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.9 | -41.3 | 178.5 | 48.3 | 0 | 0 | 0 | 0 | 112.3 | G174 L175 I181 A182 | G174-T178 WeakPolarHBondContact O-CB 3.3Å; G174-T178 WeakPolarHBondContact O-CG2 3.32Å; G174-T178 PolarHBondContact O-N 3.48Å; G174-T178 PolarHBondContact O-OG1 2.84Å; L175-T178 WeakPolarHBondContact CA-OG1 3.41Å; L175-T178 PolarHBondContact O-N 2.9Å; L175-T178 PolarHBondContact O-OG1 3.48Å; T178-I181 PolarHBondContact O-N 3Å; T178-A182 VanDerWaalsContact O-CB 3.31Å; T178-A182 WeakPolarHBondContact O-CB 2.94Å; T178-A182 PolarHBondContact O-N 3.12Å |
| 179 | V | 94 | Very high | 90.3 | Very high | 69 Ų | 69 | 96.7 Ų | 96.7 | 42% | 0.418 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.2 | -44.8 | 174.2 | 168.7 | 0 | 0 | 0 | 0 | 111.3 | L175 A182 L183 | L175-V179 HydrophobicContact CD1-CG2 4.35Å; L175-V179 WeakPolarHBondContact O-CB 3.4Å; L175-V179 VanDerWaalsContact O-CG2 3.24Å; L175-V179 WeakPolarHBondContact O-CG2 3.45Å; L175-V179 PolarHBondContact O-N 3.46Å; V179-A182 PolarHBondContact O-N 3Å; V179-L183 HydrophobicContact CG1-CD1 3.83Å; V179-L183 HydrophobicContact CG1-CG 4.32Å; V179-L183 WeakPolarHBondContact O-CB 3.24Å; V179-L183 VanDerWaalsContact O-CG 3.26Å; V179-L183 WeakPolarHBondContact O-CG 3.43Å; V179-L183 PolarHBondContact O-N 2.79Å |
| 180 | T | 91.9 | Very high | 90 | Very high | 61 Ų | 61 | 97.3 Ų | 97.3 | 37% | 0.374 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.4 | -41.1 | 177.9 | 48 | 0 | 0 | 0 | 0 | 112.5 | L176 L177 L183 M184 | L176-T180 HydrophobicContact CD1-CG2 4.45Å; L176-T180 WeakPolarHBondContact O-CB 3.37Å; L176-T180 WeakPolarHBondContact O-CG2 3.38Å; L176-T180 PolarHBondContact O-N 3.49Å; L176-T180 PolarHBondContact O-OG1 3.46Å; L177-T180 WeakPolarHBondContact CA-OG1 3.41Å; L177-T180 PolarHBondContact O-N 2.81Å; L177-T180 PolarHBondContact O-OG1 2.93Å; T180-L183 PolarHBondContact O-N 2.96Å; T180-M184 WeakPolarHBondContact O-CB 3.01Å; T180-M184 VanDerWaalsContact O-CG 3.23Å; T180-M184 WeakPolarHBondContact O-CG 3.46Å; T180-M184 PolarHBondContact O-N 2.87Å |
| 181 | I | 92.4 | Very high | 89.6 | Confident | 93 Ų | 93 | 95.3 Ų | 95.3 | 48% | 0.477 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60 | -48.7 | 171.7 | -69.3 | 167 | 0 | 0 | 0 | 110.1 | L177 T178 L183 M184 T185 | L177-I181 HydrophobicContact CD1-CD1 4.5Å; L177-I181 HydrophobicContact CD2-CD1 4.37Å; L177-I181 HydrophobicContact CG-CD1 3.92Å; L177-I181 WeakPolarHBondContact O-CB 3.37Å; L177-I181 VanDerWaalsContact O-CG1 3.24Å; L177-I181 WeakPolarHBondContact O-CG1 3.2Å; L177-I181 PolarHBondContact O-N 2.96Å; T178-I181 PolarHBondContact O-N 3Å; I181-L183 PolarHBondContact O-N 3.18Å; I181-M184 PolarHBondContact O-N 2.75Å; I181-T185 WeakPolarHBondContact O-CB 3.31Å; I181-T185 PolarHBondContact O-N 3.4Å; I181-T185 PolarHBondContact O-OG1 3.14Å |
| 182 | A | 91.6 | Very high | 89.3 | Confident | 53 Ų | 53 | 100.3 Ų | 100.3 | 44% | 0.438 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.8 | -41.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | T178 V179 T186 | T178-A182 VanDerWaalsContact O-CB 3.31Å; T178-A182 WeakPolarHBondContact O-CB 2.94Å; T178-A182 PolarHBondContact O-N 3.12Å; V179-A182 PolarHBondContact O-N 3Å; A182-T186 WeakPolarHBondContact O-CB 3.24Å; A182-T186 WeakPolarHBondContact O-CG2 3.46Å; A182-T186 PolarHBondContact O-N 2.92Å; A182-T186 PolarHBondContact O-OG1 3.43Å |
| 183 | L | 90.4 | Very high | 88.8 | Confident | 108 Ų | 108 | 100.7 Ų | 100.7 | 57% | 0.565 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.5 | -42.5 | 174.8 | -73.7 | 171.7 | 0 | 0 | 0 | 112 | V179 T180 I181 T186 A187 | V179-L183 HydrophobicContact CG1-CD1 3.83Å; V179-L183 HydrophobicContact CG1-CG 4.32Å; V179-L183 WeakPolarHBondContact O-CB 3.24Å; V179-L183 VanDerWaalsContact O-CG 3.26Å; V179-L183 WeakPolarHBondContact O-CG 3.43Å; V179-L183 PolarHBondContact O-N 2.79Å; T180-L183 PolarHBondContact O-N 2.96Å; I181-L183 PolarHBondContact O-N 3.18Å; L183-T186 WeakPolarHBondContact CA-OG1 3.32Å; L183-T186 PolarHBondContact O-OG1 3.33Å; L183-T186 VanDerWaalsContact O-OG1 3.07Å; L183-A187 WeakPolarHBondContact O-CB 3.37Å; L183-A187 PolarHBondContact O-N 3.45Å |
| 184 | M | 88.4 | Confident | 88.1 | Confident | 136 Ų | 136 | 95.3 Ų | 95.3 | 67% | 0.67 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -67.7 | -42.4 | 176.8 | -70.8 | -61.1 | -65.2 | 0 | 0 | 111.9 | T180 I181 A187 Y188 | T180-M184 WeakPolarHBondContact O-CB 3.01Å; T180-M184 VanDerWaalsContact O-CG 3.23Å; T180-M184 WeakPolarHBondContact O-CG 3.46Å; T180-M184 PolarHBondContact O-N 2.87Å; I181-M184 PolarHBondContact O-N 2.75Å; M184-A187 PolarHBondContact O-N 3.03Å; M184-Y188 WeakPolarHBondContact O-CB 3.36Å; M184-Y188 PolarHBondContact O-N 2.66Å |
| 185 | T | 91.2 | Very high | 87.6 | Confident | 69 Ų | 69 | 103.1 Ų | 103.1 | 42% | 0.423 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.6 | -43.7 | 176.4 | -58.7 | 0 | 0 | 0 | 0 | 111.4 | I181 Y188 L189 | I181-T185 WeakPolarHBondContact O-CB 3.31Å; I181-T185 PolarHBondContact O-N 3.4Å; I181-T185 PolarHBondContact O-OG1 3.14Å; T185-Y188 PolarHBondContact O-N 2.66Å; T185-L189 HydrophobicContact CG2-CD1 3.82Å; T185-L189 HydrophobicContact CG2-CG 4.39Å; T185-L189 WeakPolarHBondContact O-CB 3.34Å; T185-L189 VanDerWaalsContact O-CG 3.28Å; T185-L189 WeakPolarHBondContact O-CG 3.37Å; T185-L189 PolarHBondContact O-N 3.47Å |
| 186 | T | 87.7 | Confident | 87.1 | Confident | 76 Ų | 76 | 103.8 Ų | 103.8 | 47% | 0.466 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -67.6 | -37.7 | 175.6 | 49.8 | 0 | 0 | 0 | 0 | 112.4 | A182 L183 Y188 L189 N190 | A182-T186 WeakPolarHBondContact O-CB 3.24Å; A182-T186 WeakPolarHBondContact O-CG2 3.46Å; A182-T186 PolarHBondContact O-N 2.92Å; A182-T186 PolarHBondContact O-OG1 3.43Å; L183-T186 WeakPolarHBondContact CA-OG1 3.32Å; L183-T186 PolarHBondContact O-OG1 3.33Å; L183-T186 VanDerWaalsContact O-OG1 3.07Å; T186-Y188 VanDerWaalsContact C-N 3.33Å; T186-Y188 PolarHBondContact O-N 2.89Å; T186-L189 PolarHBondContact O-N 2.87Å; T186-N190 WeakPolarHBondContact O-CB 3.39Å; T186-N190 PolarHBondContact O-N 3.16Å |
| 187 | A | 85.9 | Confident | 86.5 | Confident | 39 Ų | 39 | 101.3 Ų | 101.3 | 32% | 0.322 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.5 | -34.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L183 M184 S194 | L183-A187 WeakPolarHBondContact O-CB 3.37Å; L183-A187 PolarHBondContact O-N 3.45Å; M184-A187 PolarHBondContact O-N 3.03Å; A187-S194 PolarHBondContact O-OG 3.48Å; A187-S194 VanDerWaalsContact O-OG 3.05Å |
| 188 | Y | 87.5 | Confident | 85.9 | Confident | 199 Ų | 199 | 99 Ų | 99 | 78% | 0.78 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -72.6 | -46.4 | 174.9 | -177.4 | -99.2 | 0 | 0 | 0 | 112.1 | M184 T185 T186 N190 | M184-Y188 WeakPolarHBondContact O-CB 3.36Å; M184-Y188 PolarHBondContact O-N 2.66Å; T185-Y188 PolarHBondContact O-N 2.66Å; T186-Y188 VanDerWaalsContact C-N 3.33Å; T186-Y188 PolarHBondContact O-N 2.89Å; Y188-N190 VanDerWaalsContact C-N 3.34Å; Y188-N190 PolarHBondContact O-N 3.3Å |
| 189 | L | 88.1 | Confident | 85.4 | Confident | 119 Ų | 119 | 99 Ų | 99 | 62% | 0.623 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -70.8 | -26.7 | -179.9 | -68.3 | 172.8 | 0 | 0 | 0 | 113.2 | T185 T186 P191 | T185-L189 HydrophobicContact CG2-CD1 3.82Å; T185-L189 HydrophobicContact CG2-CG 4.39Å; T185-L189 WeakPolarHBondContact O-CB 3.34Å; T185-L189 VanDerWaalsContact O-CG 3.28Å; T185-L189 WeakPolarHBondContact O-CG 3.37Å; T185-L189 PolarHBondContact O-N 3.47Å; T186-L189 PolarHBondContact O-N 2.87Å; L189-P191 VanDerWaalsContact C-CD 3.46Å; L189-P191 VanDerWaalsContact O-CD 3.3Å; L189-P191 WeakPolarHBondContact O-CD 3.43Å |
| 190 | N | 83.4 | Confident | 84.8 | Confident | 93 Ų | 93 | 102.5 Ų | 102.5 | 50% | 0.497 | 54% | 0.535 | S | S | . | . | trans | -117.7 | 73.6 | 177.1 | -90.4 | -60.2 | 0 | 0 | 0 | 112.8 | T186 Y188 R192 L193 S194 | T186-N190 WeakPolarHBondContact O-CB 3.39Å; T186-N190 PolarHBondContact O-N 3.16Å; Y188-N190 VanDerWaalsContact C-N 3.34Å; Y188-N190 PolarHBondContact O-N 3.3Å; N190-R192 PolarHBondContact O-N 3.39Å; N190-R192 VanDerWaalsContact O-N 3.13Å; N190-L193 HydrophobicContact CB-CB 3.97Å; N190-L193 PolarHBondContact O-N 3.44Å; N190-L193 VanDerWaalsContact O-N 3.1Å; N190-S194 PolarHBondContact O-N 3.31Å; N190-S194 VanDerWaalsContact O-N 3.09Å; N190-S194 PolarHBondContact O-OG 3.38Å | ||
| 191 | P | 81.4 | Confident | 84.2 | Confident | 86 Ų | 86 | 104.8 Ų | 104.8 | 56% | 0.558 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -63.3 | -20.9 | -178.5 | 25.8 | -35.3 | 0 | 0 | 0 | 114.2 | L189 S194 R195 | L189-P191 VanDerWaalsContact C-CD 3.46Å; L189-P191 VanDerWaalsContact O-CD 3.3Å; L189-P191 WeakPolarHBondContact O-CD 3.43Å; P191-S194 WeakPolarHBondContact CA-OG 3.47Å; P191-S194 PolarHBondContact O-OG 2.87Å; P191-R195 WeakPolarHBondContact O-CB 3.47Å; P191-R195 PolarHBondContact O-N 3.46Å |
| 192 | R | 82 | Confident | 83.4 | Confident | 216 Ų | 216 | 106.4 Ų | 106.4 | 82% | 0.815 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -72.9 | -44.3 | 173.9 | -67.6 | -176.1 | 178.1 | -179 | -0.2 | 111.7 | N190 Q196 | N190-R192 PolarHBondContact O-N 3.39Å; N190-R192 VanDerWaalsContact O-N 3.13Å; R192-Q196 PolarHBondContact O-N 3.05Å |
| 193 | L | 80.2 | Confident | 82.9 | Confident | 112 Ų | 112 | 108.1 Ų | 108.1 | 59% | 0.586 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -68.1 | -44.9 | 179.5 | -164.6 | 86.8 | 0 | 0 | 0 | 110.9 | N190 R195 Q196 A197 | N190-L193 HydrophobicContact CB-CB 3.97Å; N190-L193 PolarHBondContact O-N 3.44Å; N190-L193 VanDerWaalsContact O-N 3.1Å; L193-R195 VanDerWaalsContact C-N 3.35Å; L193-R195 PolarHBondContact O-N 2.87Å; L193-Q196 PolarHBondContact O-N 3.14Å; L193-A197 WeakPolarHBondContact O-CB 3.32Å; L193-A197 PolarHBondContact O-N 2.95Å |
| 194 | S | 77.1 | Confident | 82.2 | Confident | 41 Ų | 41 | 110.2 Ų | 110.2 | 29% | 0.287 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65.3 | -36 | 179.5 | 55.4 | 0 | 0 | 0 | 0 | 112.5 | A187 N190 P191 A197 A198 | A187-S194 PolarHBondContact O-OG 3.48Å; A187-S194 VanDerWaalsContact O-OG 3.05Å; N190-S194 PolarHBondContact O-N 3.31Å; N190-S194 VanDerWaalsContact O-N 3.09Å; N190-S194 PolarHBondContact O-OG 3.38Å; P191-S194 WeakPolarHBondContact CA-OG 3.47Å; P191-S194 PolarHBondContact O-OG 2.87Å; S194-A197 PolarHBondContact O-N 3.09Å; S194-A198 VanDerWaalsContact O-CB 3.24Å; S194-A198 WeakPolarHBondContact O-CB 3.39Å; S194-A198 PolarHBondContact O-N 2.88Å |
| 195 | R | 79.4 | Confident | 81.2 | Confident | 197 Ų | 197 | 107.9 Ų | 107.9 | 74% | 0.743 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64.9 | -41.1 | 172.4 | -170.8 | 176 | -179.7 | -172.9 | -0.4 | 112.6 | P191 L193 V199 | P191-R195 WeakPolarHBondContact O-CB 3.47Å; P191-R195 PolarHBondContact O-N 3.46Å; L193-R195 VanDerWaalsContact C-N 3.35Å; L193-R195 PolarHBondContact O-N 2.87Å; R195-V199 WeakPolarHBondContact O-CG2 3.37Å; R195-V199 PolarHBondContact O-N 3.36Å; R195-V199 VanDerWaalsContact O-N 3.16Å |
| 196 | Q | 81.4 | Confident | 80.1 | Confident | 125 Ų | 125 | 109 Ų | 109 | 58% | 0.584 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -66.5 | -45.7 | 175.3 | -74.7 | 176.3 | -40.7 | 0 | 0 | 111.7 | R192 L193 A198 V199 H200 | R192-Q196 PolarHBondContact O-N 3.05Å; L193-Q196 PolarHBondContact O-N 3.14Å; Q196-A198 PolarHBondContact O-N 2.74Å; Q196-V199 PolarHBondContact O-N 2.89Å; Q196-H200 PolarHBondContact O-CD2 3.46Å; Q196-H200 PolarHBondContact O-N 2.88Å |
| 197 | A | 77.9 | Confident | 79.4 | Confident | 47 Ų | 47 | 109.2 Ų | 109.2 | 39% | 0.388 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -60.8 | -44.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L193 S194 V199 H200 I201 | L193-A197 WeakPolarHBondContact O-CB 3.32Å; L193-A197 PolarHBondContact O-N 2.95Å; S194-A197 PolarHBondContact O-N 3.09Å; A197-V199 PolarHBondContact O-N 3.33Å; A197-H200 PolarHBondContact O-N 3.35Å; A197-I201 WeakPolarHBondContact O-CB 3.46Å; A197-I201 VanDerWaalsContact O-CG1 3.26Å; A197-I201 WeakPolarHBondContact O-CG1 3.35Å; A197-I201 PolarHBondContact O-N 2.94Å |
| 198 | A | 79.7 | Confident | 78.8 | Confident | 58 Ų | 58 | 112 Ų | 112 | 48% | 0.479 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -61.1 | -41.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | S194 Q196 I201 L202 | S194-A198 VanDerWaalsContact O-CB 3.24Å; S194-A198 WeakPolarHBondContact O-CB 3.39Å; S194-A198 PolarHBondContact O-N 2.88Å; Q196-A198 PolarHBondContact O-N 2.74Å; A198-I201 PolarHBondContact O-N 2.95Å; A198-L202 VanDerWaalsContact O-CB 3.29Å; A198-L202 WeakPolarHBondContact O-CB 3.34Å; A198-L202 PolarHBondContact O-N 3.25Å |
| 199 | V | 82.3 | Confident | 77.9 | Confident | 82 Ų | 82 | 108 Ų | 108 | 50% | 0.497 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.4 | -43.6 | 175 | 172 | 0 | 0 | 0 | 0 | 111.2 | R195 Q196 A197 L202 V203 | R195-V199 WeakPolarHBondContact O-CG2 3.37Å; R195-V199 PolarHBondContact O-N 3.36Å; R195-V199 VanDerWaalsContact O-N 3.16Å; Q196-V199 PolarHBondContact O-N 2.89Å; A197-V199 PolarHBondContact O-N 3.33Å; V199-L202 PolarHBondContact O-N 2.9Å; V199-V203 HydrophobicContact CG1-CG2 4.4Å; V199-V203 WeakPolarHBondContact O-CB 3.48Å; V199-V203 VanDerWaalsContact O-CG2 3.29Å; V199-V203 WeakPolarHBondContact O-CG2 3.35Å; V199-V203 PolarHBondContact O-N 3.31Å |
| 200 | H | 81.7 | Confident | 77 | Confident | 142 Ų | 142 | 104.9 Ų | 104.9 | 66% | 0.657 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -63 | -42.5 | 175.9 | -88.3 | -73.7 | 0 | 0 | 0 | 112.9 | Q196 A197 V203 Y204 | Q196-H200 PolarHBondContact O-CD2 3.46Å; Q196-H200 PolarHBondContact O-N 2.88Å; A197-H200 PolarHBondContact O-N 3.35Å; H200-V203 PolarHBondContact O-N 3.37Å; H200-Y204 VanDerWaalsContact O-CB 3.26Å; H200-Y204 WeakPolarHBondContact O-CB 3.39Å; H200-Y204 PolarHBondContact O-N 2.88Å |
| 201 | I | 78.3 | Confident | 76.3 | Confident | 109 Ų | 109 | 104.4 Ų | 104.4 | 56% | 0.559 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64.2 | -42.4 | 175.9 | -68.7 | 164 | 0 | 0 | 0 | 110.4 | A197 A198 Y204 M205 | A197-I201 WeakPolarHBondContact O-CB 3.46Å; A197-I201 VanDerWaalsContact O-CG1 3.26Å; A197-I201 WeakPolarHBondContact O-CG1 3.35Å; A197-I201 PolarHBondContact O-N 2.94Å; A198-I201 PolarHBondContact O-N 2.95Å; I201-Y204 PolarHBondContact O-N 3.27Å; I201-M205 HydrophobicContact CG2-CG 4.28Å; I201-M205 VanDerWaalsContact O-CB 3.28Å; I201-M205 WeakPolarHBondContact O-CB 3.42Å; I201-M205 VanDerWaalsContact O-CG 3.23Å; I201-M205 WeakPolarHBondContact O-CG 3.47Å; I201-M205 PolarHBondContact O-N 2.92Å |
| 202 | L | 76.7 | Confident | 76 | Confident | 128 Ų | 128 | 106.5 Ų | 106.5 | 67% | 0.67 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.9 | -43.8 | 176.7 | -164.8 | 81.2 | 0 | 0 | 0 | 111.5 | A198 V199 N206 | A198-L202 VanDerWaalsContact O-CB 3.29Å; A198-L202 WeakPolarHBondContact O-CB 3.34Å; A198-L202 PolarHBondContact O-N 3.25Å; V199-L202 PolarHBondContact O-N 2.9Å; L202-N206 WeakPolarHBondContact O-CB 3.34Å; L202-N206 PolarHBondContact O-N 2.87Å |
| 203 | V | 79.5 | Confident | 75.6 | Confident | 89 Ų | 89 | 104.2 Ų | 104.2 | 54% | 0.539 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.1 | -40.6 | 176.8 | 170.5 | 0 | 0 | 0 | 0 | 111.4 | V199 H200 N206 S207 | V199-V203 HydrophobicContact CG1-CG2 4.4Å; V199-V203 WeakPolarHBondContact O-CB 3.48Å; V199-V203 VanDerWaalsContact O-CG2 3.29Å; V199-V203 WeakPolarHBondContact O-CG2 3.35Å; V199-V203 PolarHBondContact O-N 3.31Å; H200-V203 PolarHBondContact O-N 3.37Å; V203-N206 PolarHBondContact O-N 3.42Å; V203-S207 WeakPolarHBondContact O-CB 3.45Å; V203-S207 PolarHBondContact O-N 3.04Å; V203-S207 PolarHBondContact O-OG 3.47Å |
| 204 | Y | 76.2 | Confident | 75.4 | Confident | 151 Ų | 151 | 103.7 Ų | 103.7 | 59% | 0.592 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -67.6 | -41.1 | 176.6 | -176.4 | -96.5 | 0 | 0 | 0 | 112.6 | H200 I201 N206 S207 F208 | H200-Y204 VanDerWaalsContact O-CB 3.26Å; H200-Y204 WeakPolarHBondContact O-CB 3.39Å; H200-Y204 PolarHBondContact O-N 2.88Å; I201-Y204 PolarHBondContact O-N 3.27Å; Y204-N206 VanDerWaalsContact C-N 3.3Å; Y204-N206 PolarHBondContact O-N 2.92Å; Y204-S207 PolarHBondContact O-N 3.35Å; Y204-S207 PolarHBondContact O-OG 3.25Å; Y204-F208 PolarHBondContact O-N 3.46Å |
| 205 | M | 68.3 | Low | 75.3 | Confident | 88 Ų | 88 | 108.8 Ų | 108.8 | 43% | 0.433 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.6 | -36.5 | 172.8 | -77.3 | -101.5 | 55.5 | 0 | 0 | 112.2 | I201 L211 | I201-M205 HydrophobicContact CG2-CG 4.28Å; I201-M205 VanDerWaalsContact O-CB 3.28Å; I201-M205 WeakPolarHBondContact O-CB 3.42Å; I201-M205 VanDerWaalsContact O-CG 3.23Å; I201-M205 WeakPolarHBondContact O-CG 3.47Å; I201-M205 PolarHBondContact O-N 2.92Å; M205-L211 HydrophobicContact CE-CB 3.95Å; M205-L211 HydrophobicContact CE-CD2 3.57Å; M205-L211 HydrophobicContact CE-CG 4.39Å |
| 206 | N | 66.7 | Low | 75.3 | Confident | 93 Ų | 93 | 103.6 Ų | 103.6 | 50% | 0.497 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -82.1 | -24.5 | -179.6 | -161.1 | 29.7 | 0 | 0 | 0 | 113 | L202 V203 Y204 | L202-N206 WeakPolarHBondContact O-CB 3.34Å; L202-N206 PolarHBondContact O-N 2.87Å; V203-N206 PolarHBondContact O-N 3.42Å; Y204-N206 VanDerWaalsContact C-N 3.3Å; Y204-N206 PolarHBondContact O-N 2.92Å |
| 207 | S | 73.1 | Confident | 75.2 | Confident | 79 Ų | 79 | 101.2 Ų | 101.2 | 55% | 0.552 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -74.2 | -32.5 | 173.9 | 70 | 0 | 0 | 0 | 0 | 112.3 | V203 Y204 H209 | V203-S207 WeakPolarHBondContact O-CB 3.45Å; V203-S207 PolarHBondContact O-N 3.04Å; V203-S207 PolarHBondContact O-OG 3.47Å; Y204-S207 PolarHBondContact O-N 3.35Å; Y204-S207 PolarHBondContact O-OG 3.25Å; S207-H209 VanDerWaalsContact C-N 3.32Å; S207-H209 PolarHBondContact O-N 3.07Å |
| 208 | F | 73.8 | Confident | 75.3 | Confident | 99 Ų | 99 | 104.3 Ų | 104.3 | 43% | 0.434 | 52% | 0.524 | S | S | . | . | trans | -76.6 | 79.2 | 174.3 | -108.5 | -91 | 0 | 0 | 0 | 112.5 | Y204 A210 L211 R212 | Y204-F208 PolarHBondContact O-N 3.46Å; F208-A210 PolarHBondContact O-N 2.97Å; F208-L211 HydrophobicContact CB-CB 4.33Å; F208-L211 HydrophobicContact CB-CD1 4.1Å; F208-L211 HydrophobicContact CD1-CD1 3.68Å; F208-L211 HydrophobicContact CE1-CD1 4.47Å; F208-L211 HydrophobicContact CG-CD1 4.12Å; F208-L211 PolarHBondContact O-N 3.2Å; F208-R212 PolarHBondContact O-N 3.43Å; F208-R212 VanDerWaalsContact O-N 3.14Å | ||
| 209 | H | 69.4 | Low | 75.4 | Confident | 113 Ų | 113 | 108.1 Ų | 108.1 | 52% | 0.523 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -55.4 | -18.1 | 178.2 | -130.6 | -123.6 | 0 | 0 | 0 | 114.6 | S207 R213 | S207-H209 VanDerWaalsContact C-N 3.32Å; S207-H209 PolarHBondContact O-N 3.07Å; H209-R213 PolarHBondContact O-N 3.41Å; H209-R213 PolarHBondContact O-NE 3.28Å |
| 210 | A | 68.8 | Low | 75.3 | Confident | 54 Ų | 54 | 109.1 Ų | 109.1 | 45% | 0.446 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -77.9 | -47.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | F208 R212 R213 L214 | F208-A210 PolarHBondContact O-N 2.97Å; A210-R212 PolarHBondContact O-N 3.45Å; A210-R213 PolarHBondContact O-N 3.49Å; A210-L214 WeakPolarHBondContact O-CG 2.99Å; A210-L214 PolarHBondContact O-N 2.99Å |
| 211 | L | 68.3 | Low | 75.1 | Confident | 84 Ų | 84 | 111.5 Ų | 111.5 | 44% | 0.44 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.2 | -39.6 | 176.9 | -90.6 | 91 | 0 | 0 | 0 | 111.5 | M205 F208 R213 L214 Y215 | M205-L211 HydrophobicContact CE-CB 3.95Å; M205-L211 HydrophobicContact CE-CD2 3.57Å; M205-L211 HydrophobicContact CE-CG 4.39Å; F208-L211 HydrophobicContact CB-CB 4.33Å; F208-L211 HydrophobicContact CB-CD1 4.1Å; F208-L211 HydrophobicContact CD1-CD1 3.68Å; F208-L211 HydrophobicContact CE1-CD1 4.47Å; F208-L211 HydrophobicContact CG-CD1 4.12Å; F208-L211 PolarHBondContact O-N 3.2Å; L211-R213 VanDerWaalsContact C-N 3.35Å; L211-R213 PolarHBondContact O-N 2.9Å; L211-L214 PolarHBondContact O-N 2.96Å; L211-Y215 WeakPolarHBondContact O-CB 3.41Å; L211-Y215 PolarHBondContact O-N 3Å |
| 212 | R | 74.7 | Confident | 74.9 | Confident | 129 Ų | 129 | 112.2 Ų | 112.2 | 49% | 0.487 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.3 | -43.3 | 175.9 | -172.7 | 175.2 | 172.7 | -159.9 | -5.5 | 112.1 | F208 A210 Y215 E216 | F208-R212 PolarHBondContact O-N 3.43Å; F208-R212 VanDerWaalsContact O-N 3.14Å; A210-R212 PolarHBondContact O-N 3.45Å; R212-Y215 PolarHBondContact O-N 3Å; R212-E216 WeakPolarHBondContact O-CG 3.34Å; R212-E216 PolarHBondContact O-N 3.33Å |
| 213 | R | 75.2 | Confident | 74.7 | Confident | 168 Ų | 168 | 108.4 Ų | 108.4 | 63% | 0.634 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -67.9 | -37.4 | 174.9 | -80.2 | -170.1 | -81 | -170.7 | -2.8 | 112.9 | H209 A210 L211 T217 | H209-R213 PolarHBondContact O-N 3.41Å; H209-R213 PolarHBondContact O-NE 3.28Å; A210-R213 PolarHBondContact O-N 3.49Å; L211-R213 VanDerWaalsContact C-N 3.35Å; L211-R213 PolarHBondContact O-N 2.9Å; R213-T217 WeakPolarHBondContact O-CB 3.2Å; R213-T217 VanDerWaalsContact O-CG2 3.3Å; R213-T217 WeakPolarHBondContact O-CG2 3.47Å; R213-T217 PolarHBondContact O-N 2.89Å; R213-T217 PolarHBondContact O-OG1 3.39Å |
| 214 | L | 74.7 | Confident | 74.5 | Confident | 102 Ų | 102 | 108.2 Ų | 108.2 | 53% | 0.534 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.2 | -42.5 | 173.9 | -75.1 | 168.1 | 0 | 0 | 0 | 111.8 | A210 L211 T217 L218 | A210-L214 WeakPolarHBondContact O-CG 2.99Å; A210-L214 PolarHBondContact O-N 2.99Å; L211-L214 PolarHBondContact O-N 2.96Å; L214-T217 WeakPolarHBondContact CA-OG1 3.33Å; L214-T217 PolarHBondContact O-N 3.45Å; L214-T217 PolarHBondContact O-OG1 3Å; L214-T217 VanDerWaalsContact O-OG1 3.13Å; L214-L218 VanDerWaalsContact O-CB 3.23Å; L214-L218 WeakPolarHBondContact O-CB 3.27Å; L214-L218 WeakPolarHBondContact O-CD1 3.17Å; L214-L218 WeakPolarHBondContact O-CG 3.33Å; L214-L218 PolarHBondContact O-N 3.24Å |
| 215 | Y | 76.4 | Confident | 74.5 | Confident | 147 Ų | 147 | 106.8 Ų | 106.8 | 58% | 0.576 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.1 | -50.8 | 177 | -178.8 | -97.6 | 0 | 0 | 0 | 111.8 | L211 R212 T217 L218 W219 | L211-Y215 WeakPolarHBondContact O-CB 3.41Å; L211-Y215 PolarHBondContact O-N 3Å; R212-Y215 PolarHBondContact O-N 3Å; Y215-T217 PolarHBondContact O-N 3.42Å; Y215-L218 PolarHBondContact O-N 3.5Å; Y215-W219 VanDerWaalsContact O-CB 3.27Å; Y215-W219 WeakPolarHBondContact O-CB 3.29Å; Y215-W219 PolarHBondContact O-N 2.86Å |
| 216 | E | 79.2 | Confident | 74.4 | Confident | 88 Ų | 88 | 110.5 Ų | 110.5 | 41% | 0.411 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.2 | -42 | 178.2 | -69.6 | -66.4 | 171.5 | 0 | 0 | 112 | R212 W219 L220 | R212-E216 WeakPolarHBondContact O-CG 3.34Å; R212-E216 PolarHBondContact O-N 3.33Å; E216-W219 PolarHBondContact O-N 3.33Å; E216-L220 WeakPolarHBondContact O-CB 3.36Å; E216-L220 WeakPolarHBondContact O-CD1 3.3Å; E216-L220 PolarHBondContact O-N 3.28Å |
| 217 | T | 78.4 | Confident | 74.3 | Confident | 75 Ų | 75 | 115 Ų | 115 | 46% | 0.46 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -70 | -34.7 | 178.1 | 52.9 | 0 | 0 | 0 | 0 | 113 | R213 L214 Y215 R221 | R213-T217 WeakPolarHBondContact O-CB 3.2Å; R213-T217 VanDerWaalsContact O-CG2 3.3Å; R213-T217 WeakPolarHBondContact O-CG2 3.47Å; R213-T217 PolarHBondContact O-N 2.89Å; R213-T217 PolarHBondContact O-OG1 3.39Å; L214-T217 WeakPolarHBondContact CA-OG1 3.33Å; L214-T217 PolarHBondContact O-N 3.45Å; L214-T217 PolarHBondContact O-OG1 3Å; L214-T217 VanDerWaalsContact O-OG1 3.13Å; Y215-T217 PolarHBondContact O-N 3.42Å; T217-R221 WeakPolarHBondContact O-CB 3.37Å; T217-R221 VanDerWaalsContact O-CG 3.29Å; T217-R221 WeakPolarHBondContact O-CG 3.23Å; T217-R221 PolarHBondContact O-N 2.88Å |
| 218 | L | 80.8 | Confident | 74 | Confident | 112 Ų | 112 | 114.4 Ų | 114.4 | 59% | 0.586 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -68.3 | -41 | 171.2 | -76.4 | 166.1 | 0 | 0 | 0 | 111.5 | L214 Y215 R221 F222 | L214-L218 VanDerWaalsContact O-CB 3.23Å; L214-L218 WeakPolarHBondContact O-CB 3.27Å; L214-L218 WeakPolarHBondContact O-CD1 3.17Å; L214-L218 WeakPolarHBondContact O-CG 3.33Å; L214-L218 PolarHBondContact O-N 3.24Å; Y215-L218 PolarHBondContact O-N 3.5Å; L218-R221 PolarHBondContact O-N 3.32Å; L218-F222 VanDerWaalsContact O-CB 3.26Å; L218-F222 WeakPolarHBondContact O-CB 3.32Å; L218-F222 PolarHBondContact O-N 2.91Å |
| 219 | W | 80.7 | Confident | 73.5 | Confident | 138 Ų | 138 | 113.3 Ų | 113.3 | 52% | 0.523 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.7 | -42.9 | 177.7 | -173.8 | -112.7 | 0 | 0 | 0 | 112 | Y215 E216 F222 T223 | Y215-W219 VanDerWaalsContact O-CB 3.27Å; Y215-W219 WeakPolarHBondContact O-CB 3.29Å; Y215-W219 PolarHBondContact O-N 2.86Å; E216-W219 PolarHBondContact O-N 3.33Å; W219-F222 PolarHBondContact O-N 2.84Å; W219-T223 HydrophobicContact CD2-CG2 4.41Å; W219-T223 HydrophobicContact CZ2-CG2 4.42Å; W219-T223 WeakPolarHBondContact O-CB 3.3Å; W219-T223 WeakPolarHBondContact O-CG2 3.49Å; W219-T223 PolarHBondContact O-N 3.31Å; W219-T223 PolarHBondContact O-OG1 3.28Å |
| 220 | L | 80.9 | Confident | 73.3 | Confident | 103 Ų | 103 | 116.1 Ų | 116.1 | 54% | 0.539 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.6 | -44.9 | 170.3 | -95.7 | 117 | 0 | 0 | 0 | 112 | E216 F222 T223 V224 | E216-L220 WeakPolarHBondContact O-CB 3.36Å; E216-L220 WeakPolarHBondContact O-CD1 3.3Å; E216-L220 PolarHBondContact O-N 3.28Å; L220-F222 VanDerWaalsContact C-N 3.35Å; L220-F222 PolarHBondContact O-N 3.49Å; L220-T223 WeakPolarHBondContact CA-OG1 3.31Å; L220-T223 PolarHBondContact O-N 3.49Å; L220-T223 PolarHBondContact O-OG1 3.39Å; L220-V224 WeakPolarHBondContact O-CB 3.47Å; L220-V224 VanDerWaalsContact O-CG2 3.22Å; L220-V224 WeakPolarHBondContact O-CG2 3.46Å; L220-V224 PolarHBondContact O-N 2.87Å |
| 221 | R | 76.6 | Confident | 73.1 | Confident | 193 Ų | 193 | 116.9 Ų | 116.9 | 73% | 0.728 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -62.4 | -41 | 176.4 | -79.3 | 179.9 | 175.9 | -165.6 | -0.1 | 112.3 | T217 L218 L225 | T217-R221 WeakPolarHBondContact O-CB 3.37Å; T217-R221 VanDerWaalsContact O-CG 3.29Å; T217-R221 WeakPolarHBondContact O-CG 3.23Å; T217-R221 PolarHBondContact O-N 2.88Å; L218-R221 PolarHBondContact O-N 3.32Å; R221-L225 VanDerWaalsContact O-CB 3.22Å; R221-L225 WeakPolarHBondContact O-CB 3.49Å; R221-L225 PolarHBondContact O-N 3.44Å |
| 222 | F | 75.2 | Confident | 73 | Confident | 124 Ų | 124 | 118.5 Ų | 118.5 | 54% | 0.544 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -69 | -44.3 | 178.9 | -168.2 | -95.1 | 0 | 0 | 0 | 111.8 | L218 W219 L220 V224 L225 W226 | L218-F222 VanDerWaalsContact O-CB 3.26Å; L218-F222 WeakPolarHBondContact O-CB 3.32Å; L218-F222 PolarHBondContact O-N 2.91Å; W219-F222 PolarHBondContact O-N 2.84Å; L220-F222 VanDerWaalsContact C-N 3.35Å; L220-F222 PolarHBondContact O-N 3.49Å; F222-V224 VanDerWaalsContact C-N 3.35Å; F222-V224 PolarHBondContact O-N 2.99Å; F222-L225 PolarHBondContact O-N 3.33Å; F222-W226 VanDerWaalsContact O-CB 3.28Å; F222-W226 WeakPolarHBondContact O-CB 3.36Å; F222-W226 PolarHBondContact O-N 2.95Å |
| 223 | T | 72.9 | Confident | 72.8 | Confident | 48 Ų | 48 | 117.9 Ų | 117.9 | 29% | 0.294 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -68.2 | -31.7 | 176.4 | 51.8 | 0 | 0 | 0 | 0 | 112.9 | W219 L220 R227 | W219-T223 HydrophobicContact CD2-CG2 4.41Å; W219-T223 HydrophobicContact CZ2-CG2 4.42Å; W219-T223 WeakPolarHBondContact O-CB 3.3Å; W219-T223 WeakPolarHBondContact O-CG2 3.49Å; W219-T223 PolarHBondContact O-N 3.31Å; W219-T223 PolarHBondContact O-OG1 3.28Å; L220-T223 WeakPolarHBondContact CA-OG1 3.31Å; L220-T223 PolarHBondContact O-N 3.49Å; L220-T223 PolarHBondContact O-OG1 3.39Å; T223-R227 WeakPolarHBondContact O-CB 3.46Å; T223-R227 VanDerWaalsContact O-CG 3.29Å; T223-R227 WeakPolarHBondContact O-CG 3.3Å; T223-R227 PolarHBondContact O-N 2.94Å; T223-R227 VanDerWaalsContact O-N 3.16Å |
| 224 | V | 75.1 | Confident | 72.3 | Confident | 84 Ų | 84 | 118.6 Ų | 118.6 | 51% | 0.509 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -67.4 | -50.1 | 168.7 | 169.7 | 0 | 0 | 0 | 0 | 110.7 | L220 F222 W226 R227 T228 | L220-V224 WeakPolarHBondContact O-CB 3.47Å; L220-V224 VanDerWaalsContact O-CG2 3.22Å; L220-V224 WeakPolarHBondContact O-CG2 3.46Å; L220-V224 PolarHBondContact O-N 2.87Å; F222-V224 VanDerWaalsContact C-N 3.35Å; F222-V224 PolarHBondContact O-N 2.99Å; V224-W226 PolarHBondContact O-N 2.9Å; V224-R227 CarbonylContact O-C 3.49Å; V224-R227 PolarHBondContact O-N 3.35Å; V224-T228 HydrophobicContact CG1-CG2 4.19Å; V224-T228 WeakPolarHBondContact O-CG2 3.45Å; V224-T228 PolarHBondContact O-N 3.08Å; V224-T228 PolarHBondContact O-OG1 3.44Å |
| 225 | L | 74.7 | Confident | 72 | Confident | 121 Ų | 121 | 119 Ų | 119 | 63% | 0.634 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -61 | -30.4 | 178.7 | -172.3 | 67.4 | 0 | 0 | 0 | 113 | R221 F222 T228 P229 | R221-L225 VanDerWaalsContact O-CB 3.22Å; R221-L225 WeakPolarHBondContact O-CB 3.49Å; R221-L225 PolarHBondContact O-N 3.44Å; F222-L225 PolarHBondContact O-N 3.33Å; L225-T228 PolarHBondContact O-OG1 2.78Å; L225-P229 WeakPolarHBondContact O-CD 3.4Å |
| 226 | W | 67.3 | Low | 71.7 | Confident | 166 Ų | 166 | 117.9 Ų | 117.9 | 63% | 0.629 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -77.7 | -25.7 | 173.9 | -168.8 | -104.3 | 0 | 0 | 0 | 113.1 | F222 V224 | F222-W226 VanDerWaalsContact O-CB 3.28Å; F222-W226 WeakPolarHBondContact O-CB 3.36Å; F222-W226 PolarHBondContact O-N 2.95Å; V224-W226 PolarHBondContact O-N 2.9Å |
| 227 | R | 64.1 | Low | 71.3 | Confident | 188 Ų | 188 | 117.3 Ų | 117.3 | 71% | 0.709 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -88 | -29.7 | 176.8 | -77.3 | 178.2 | 174.1 | -172.9 | -0.2 | 113.5 | T223 V224 R230 S231 | T223-R227 WeakPolarHBondContact O-CB 3.46Å; T223-R227 VanDerWaalsContact O-CG 3.29Å; T223-R227 WeakPolarHBondContact O-CG 3.3Å; T223-R227 PolarHBondContact O-N 2.94Å; T223-R227 VanDerWaalsContact O-N 3.16Å; V224-R227 CarbonylContact O-C 3.49Å; V224-R227 PolarHBondContact O-N 3.35Å; R227-R230 PolarHBondContact O-N 3.27Å; R227-S231 PolarHBondContact O-N 3.38Å |
| 228 | T | 66.5 | Low | 71.1 | Confident | 67 Ų | 67 | 119.2 Ų | 119.2 | 41% | 0.411 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -56.5 | -44.8 | 179 | 46.4 | 0 | 0 | 0 | 0 | 114.7 | V224 L225 R230 S231 L232 | V224-T228 HydrophobicContact CG1-CG2 4.19Å; V224-T228 WeakPolarHBondContact O-CG2 3.45Å; V224-T228 PolarHBondContact O-N 3.08Å; V224-T228 PolarHBondContact O-OG1 3.44Å; L225-T228 PolarHBondContact O-OG1 2.78Å; T228-R230 VanDerWaalsContact C-N 3.29Å; T228-R230 PolarHBondContact O-N 2.94Å; T228-S231 PolarHBondContact O-N 3.37Å; T228-S231 VanDerWaalsContact O-N 3.11Å; T228-L232 WeakPolarHBondContact O-CB 3.39Å; T228-L232 PolarHBondContact O-N 3.19Å |
| 229 | P | 64.6 | Low | 70.8 | Confident | 76 Ų | 76 | 118.7 Ų | 118.7 | 49% | 0.494 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63.8 | -32.6 | 179.3 | 23.4 | -34 | 0 | 0 | 0 | 112.9 | L225 L232 H233 | L225-P229 WeakPolarHBondContact O-CD 3.4Å; P229-L232 PolarHBondContact O-N 2.7Å; P229-H233 WeakPolarHBondContact O-CB 3.43Å; P229-H233 PolarHBondContact O-N 2.69Å |
| 230 | R | 64.3 | Low | 70.5 | Confident | 172 Ų | 172 | 117.8 Ų | 117.8 | 65% | 0.649 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -68.8 | -33.8 | 175 | -70.9 | 179.9 | 175.6 | 166.8 | -1.1 | 112.6 | R227 T228 | R227-R230 PolarHBondContact O-N 3.27Å; T228-R230 VanDerWaalsContact C-N 3.29Å; T228-R230 PolarHBondContact O-N 2.94Å |
| 231 | S | 64 | Low | 70.3 | Confident | 70 Ų | 70 | 119 Ų | 119 | 49% | 0.49 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -72.3 | -45.6 | 173.9 | -168 | 0 | 0 | 0 | 0 | 111.5 | R227 T228 H233 R234 N235 | R227-S231 PolarHBondContact O-N 3.38Å; T228-S231 PolarHBondContact O-N 3.37Å; T228-S231 VanDerWaalsContact O-N 3.11Å; S231-H233 VanDerWaalsContact C-N 3.31Å; S231-H233 PolarHBondContact O-N 3.43Å; S231-R234 PolarHBondContact O-N 2.96Å; S231-R234 VanDerWaalsContact O-N 3.09Å; S231-N235 PolarHBondContact O-N 3.03Å |
| 232 | L | 66.4 | Low | 70.1 | Confident | 118 Ų | 118 | 119 Ų | 119 | 62% | 0.618 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -61.8 | -39.7 | -179.8 | -157.5 | 130.3 | 0 | 0 | 0 | 111.5 | T228 P229 R234 N235 M236 | T228-L232 WeakPolarHBondContact O-CB 3.39Å; T228-L232 PolarHBondContact O-N 3.19Å; P229-L232 PolarHBondContact O-N 2.7Å; L232-R234 VanDerWaalsContact C-N 3.35Å; L232-R234 PolarHBondContact O-N 3.03Å; L232-N235 PolarHBondContact O-N 3.22Å; L232-M236 WeakPolarHBondContact O-CB 3.31Å; L232-M236 PolarHBondContact O-N 2.84Å |
| 233 | H | 70.4 | Confident | 70.1 | Confident | 116 Ų | 116 | 119.8 Ų | 119.8 | 54% | 0.537 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -60.9 | -37.4 | 174.2 | -168.8 | 83.5 | 0 | 0 | 0 | 113.2 | P229 S231 M236 Q237 | P229-H233 WeakPolarHBondContact O-CB 3.43Å; P229-H233 PolarHBondContact O-N 2.69Å; S231-H233 VanDerWaalsContact C-N 3.31Å; S231-H233 PolarHBondContact O-N 3.43Å; H233-M236 WeakPolarHBondContact O-CB 3.46Å; H233-Q237 PolarHBondContact CD2-NE2 3.47Å; H233-Q237 VanDerWaalsContact CD2-NE2 3.32Å; H233-Q237 PolarHBondContact NE2-NE2 2.92Å; H233-Q237 WeakPolarHBondContact O-CG 3.46Å; H233-Q237 PolarHBondContact O-N 2.9Å |
| 234 | R | 64.9 | Low | 70.2 | Confident | 183 Ų | 183 | 123.7 Ų | 123.7 | 69% | 0.691 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -66.2 | -45.2 | 175 | -74.3 | -179.7 | 173 | 175.6 | -3 | 111.8 | S231 L232 M236 Q237 H238 | S231-R234 PolarHBondContact O-N 2.96Å; S231-R234 VanDerWaalsContact O-N 3.09Å; L232-R234 VanDerWaalsContact C-N 3.35Å; L232-R234 PolarHBondContact O-N 3.03Å; R234-M236 VanDerWaalsContact C-N 3.34Å; R234-M236 PolarHBondContact O-N 3.41Å; R234-Q237 PolarHBondContact O-N 3.09Å; R234-H238 PolarHBondContact O-CD2 2.92Å; R234-H238 VanDerWaalsContact O-CD2 3.26Å; R234-H238 PolarHBondContact O-N 3.49Å |
| 235 | N | 69.3 | Low | 70.4 | Confident | 109 Ų | 109 | 126.3 Ų | 126.3 | 58% | 0.583 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -64.9 | -37.3 | 177.5 | -76.4 | -9.1 | 0 | 0 | 0 | 112.3 | S231 L232 Q237 H238 L239 | S231-N235 PolarHBondContact O-N 3.03Å; L232-N235 PolarHBondContact O-N 3.22Å; N235-Q237 VanDerWaalsContact C-N 3.32Å; N235-Q237 PolarHBondContact O-N 3.14Å; N235-H238 PolarHBondContact O-N 3.25Å; N235-L239 PolarHBondContact O-N 3.43Å |
| 236 | M | 69.3 | Low | 70.5 | Confident | 125 Ų | 125 | 124.9 Ų | 124.9 | 62% | 0.616 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -55.4 | -45.7 | 173.2 | -157.6 | 92.1 | 153.5 | 0 | 0 | 111.5 | L232 H233 R234 H238 L239 Q240 | L232-M236 WeakPolarHBondContact O-CB 3.31Å; L232-M236 PolarHBondContact O-N 2.84Å; H233-M236 WeakPolarHBondContact O-CB 3.46Å; R234-M236 VanDerWaalsContact C-N 3.34Å; R234-M236 PolarHBondContact O-N 3.41Å; M236-H238 PolarHBondContact O-N 2.91Å; M236-L239 PolarHBondContact O-N 3.35Å; M236-Q240 WeakPolarHBondContact O-CB 3.38Å; M236-Q240 PolarHBondContact O-N 2.88Å |
| 237 | Q | 71.1 | Confident | 70.8 | Confident | 75 Ų | 75 | 124 Ų | 124 | 35% | 0.35 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65.3 | -37 | 177.9 | -68.7 | -178.6 | 10.9 | 0 | 0 | 112.9 | H233 R234 N235 R241 | H233-Q237 PolarHBondContact CD2-NE2 3.47Å; H233-Q237 VanDerWaalsContact CD2-NE2 3.32Å; H233-Q237 PolarHBondContact NE2-NE2 2.92Å; H233-Q237 WeakPolarHBondContact O-CG 3.46Å; H233-Q237 PolarHBondContact O-N 2.9Å; R234-Q237 PolarHBondContact O-N 3.09Å; N235-Q237 VanDerWaalsContact C-N 3.32Å; N235-Q237 PolarHBondContact O-N 3.14Å; Q237-R241 WeakPolarHBondContact O-CG 3.25Å; Q237-R241 PolarHBondContact O-N 3.23Å; Q237-R241 VanDerWaalsContact O-N 3.14Å |
| 238 | H | 73.8 | Confident | 71.5 | Confident | 115 Ų | 115 | 119.1 Ų | 119.1 | 53% | 0.532 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66.7 | -41.4 | 174.6 | -78.5 | -75.3 | 0 | 0 | 0 | 112.1 | R234 N235 M236 R241 R242 | R234-H238 PolarHBondContact O-CD2 2.92Å; R234-H238 VanDerWaalsContact O-CD2 3.26Å; R234-H238 PolarHBondContact O-N 3.49Å; N235-H238 PolarHBondContact O-N 3.25Å; M236-H238 PolarHBondContact O-N 2.91Å; H238-R241 PolarHBondContact O-N 3.44Å; H238-R242 PolarHBondContact O-N 3.39Å; H238-R242 VanDerWaalsContact O-N 3.15Å |
| 239 | L | 73.9 | Confident | 71.9 | Confident | 101 Ų | 101 | 125.6 Ų | 125.6 | 53% | 0.529 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -66.2 | -42.2 | 177.7 | -164.5 | 67 | 0 | 0 | 0 | 111.3 | N235 M236 R241 R242 F243 | N235-L239 PolarHBondContact O-N 3.43Å; M236-L239 PolarHBondContact O-N 3.35Å; L239-R241 VanDerWaalsContact C-N 3.31Å; L239-R241 PolarHBondContact O-N 2.91Å; L239-R242 PolarHBondContact O-N 3.37Å; L239-R242 VanDerWaalsContact O-N 3.11Å; L239-F243 HydrophobicContact CD1-CD2 4.48Å; L239-F243 HydrophobicContact CD1-CE2 4.17Å; L239-F243 HydrophobicContact CD2-CE2 4.1Å; L239-F243 HydrophobicContact CG-CD2 3.94Å; L239-F243 HydrophobicContact CG-CE2 3.8Å; L239-F243 WeakPolarHBondContact O-CD2 3.3Å; L239-F243 PolarHBondContact O-N 3.13Å |
| 240 | Q | 74.9 | Confident | 72.5 | Confident | 119 Ų | 119 | 126.7 Ų | 126.7 | 56% | 0.556 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -60.7 | -36.9 | 175.4 | -167.2 | -174.9 | 11.8 | 0 | 0 | 112.6 | M236 R244 | M236-Q240 WeakPolarHBondContact O-CB 3.38Å; M236-Q240 PolarHBondContact O-N 2.88Å; Q240-R244 WeakPolarHBondContact O-CB 3.23Å; Q240-R244 PolarHBondContact O-N 3.34Å; Q240-R244 VanDerWaalsContact O-N 3.11Å |
| 241 | R | 76.3 | Confident | 73 | Confident | 129 Ų | 129 | 126 Ų | 126 | 49% | 0.487 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65 | -43.1 | 172.5 | -69.6 | 172.5 | -160 | -168.8 | 7.1 | 111.5 | Q237 H238 L239 R244 H245 | Q237-R241 WeakPolarHBondContact O-CG 3.25Å; Q237-R241 PolarHBondContact O-N 3.23Å; Q237-R241 VanDerWaalsContact O-N 3.14Å; H238-R241 PolarHBondContact O-N 3.44Å; L239-R241 VanDerWaalsContact C-N 3.31Å; L239-R241 PolarHBondContact O-N 2.91Å; R241-R244 PolarHBondContact O-N 2.85Å; R241-H245 PolarHBondContact O-CD2 3.45Å; R241-H245 VanDerWaalsContact O-CD2 3.3Å; R241-H245 PolarHBondContact O-N 3.31Å; R241-H245 VanDerWaalsContact O-N 3.15Å |
| 242 | R | 74.1 | Confident | 73.7 | Confident | 193 Ų | 193 | 127.2 Ų | 127.2 | 73% | 0.728 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -63.9 | -46.5 | 176.8 | -76.3 | -168.7 | 173.6 | -168.1 | -0.4 | 112.2 | H238 L239 R244 H245 V246 | H238-R242 PolarHBondContact O-N 3.39Å; H238-R242 VanDerWaalsContact O-N 3.15Å; L239-R242 PolarHBondContact O-N 3.37Å; L239-R242 VanDerWaalsContact O-N 3.11Å; R242-R244 VanDerWaalsContact C-N 3.31Å; R242-R244 PolarHBondContact O-N 3.3Å; R242-H245 PolarHBondContact O-N 2.85Å; R242-H245 VanDerWaalsContact O-N 3.12Å; R242-V246 WeakPolarHBondContact O-CG2 3.47Å; R242-V246 PolarHBondContact O-N 2.85Å |
| 243 | F | 73.3 | Confident | 74.2 | Confident | 140 Ų | 140 | 128 Ų | 128 | 61% | 0.614 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -58.6 | -41 | 175.9 | -88.2 | -69.5 | 0 | 0 | 0 | 112.5 | L239 H245 V246 Y247 | L239-F243 HydrophobicContact CD1-CD2 4.48Å; L239-F243 HydrophobicContact CD1-CE2 4.17Å; L239-F243 HydrophobicContact CD2-CE2 4.1Å; L239-F243 HydrophobicContact CG-CD2 3.94Å; L239-F243 HydrophobicContact CG-CE2 3.8Å; L239-F243 WeakPolarHBondContact O-CD2 3.3Å; L239-F243 PolarHBondContact O-N 3.13Å; F243-H245 PolarHBondContact O-N 3.45Å; F243-V246 PolarHBondContact O-N 3.27Å; F243-Y247 WeakPolarHBondContact O-CB 3.28Å; F243-Y247 PolarHBondContact O-N 3.44Å |
| 244 | R | 75.6 | Confident | 74.2 | Confident | 131 Ų | 131 | 128.8 Ų | 128.8 | 49% | 0.494 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -62 | -38.9 | 175.1 | 177.8 | 162.1 | 51.3 | -127.2 | -3.7 | 112.9 | Q240 R241 R242 L248 | Q240-R244 WeakPolarHBondContact O-CB 3.23Å; Q240-R244 PolarHBondContact O-N 3.34Å; Q240-R244 VanDerWaalsContact O-N 3.11Å; R241-R244 PolarHBondContact O-N 2.85Å; R242-R244 VanDerWaalsContact C-N 3.31Å; R242-R244 PolarHBondContact O-N 3.3Å; R244-L248 HydrophobicContact CG-CD1 4.06Å; R244-L248 WeakPolarHBondContact O-CB 3.32Å; R244-L248 PolarHBondContact O-N 2.87Å |
| 245 | H | 78.6 | Confident | 74.6 | Confident | 138 Ų | 138 | 125.6 Ų | 125.6 | 64% | 0.639 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -67.3 | -39.9 | 173.5 | -83.1 | -73 | 0 | 0 | 0 | 112.9 | R241 R242 F243 R249 | R241-H245 PolarHBondContact O-CD2 3.45Å; R241-H245 VanDerWaalsContact O-CD2 3.3Å; R241-H245 PolarHBondContact O-N 3.31Å; R241-H245 VanDerWaalsContact O-N 3.15Å; R242-H245 PolarHBondContact O-N 2.85Å; R242-H245 VanDerWaalsContact O-N 3.12Å; F243-H245 PolarHBondContact O-N 3.45Å; H245-R249 WeakPolarHBondContact O-CB 3.43Å; H245-R249 PolarHBondContact O-N 2.94Å |
| 246 | V | 77.2 | Confident | 74.8 | Confident | 92 Ų | 92 | 126.2 Ų | 126.2 | 56% | 0.558 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -64 | -48 | 175.5 | 175 | 0 | 0 | 0 | 0 | 110.5 | R242 F243 L248 R249 E250 | R242-V246 WeakPolarHBondContact O-CG2 3.47Å; R242-V246 PolarHBondContact O-N 2.85Å; F243-V246 PolarHBondContact O-N 3.27Å; V246-L248 PolarHBondContact O-N 2.91Å; V246-R249 CarbonylContact O-C 3.57Å; V246-R249 WeakPolarHBondContact O-CB 3.28Å; V246-R249 PolarHBondContact O-N 3.44Å; V246-R249 VanDerWaalsContact O-N 3.11Å; V246-E250 WeakPolarHBondContact O-CB 3.27Å; V246-E250 PolarHBondContact O-N 3.48Å |
| 247 | Y | 74.5 | Confident | 75 | Confident | 148 Ų | 148 | 122.6 Ų | 122.6 | 58% | 0.58 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -59.4 | -43.2 | 177.1 | 177.6 | -100.8 | 0 | 0 | 0 | 112.9 | F243 E250 R251 | F243-Y247 WeakPolarHBondContact O-CB 3.28Å; F243-Y247 PolarHBondContact O-N 3.44Å; Y247-E250 PolarHBondContact O-N 2.98Å; Y247-R251 WeakPolarHBondContact O-CB 3.37Å; Y247-R251 PolarHBondContact O-N 2.87Å |
| 248 | L | 77.8 | Confident | 74.9 | Confident | 84 Ų | 84 | 122 Ų | 122 | 44% | 0.44 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.3 | -42 | 173.4 | -85.9 | 158.7 | 0 | 0 | 0 | 111.9 | R244 V246 R251 I252 | R244-L248 HydrophobicContact CG-CD1 4.06Å; R244-L248 WeakPolarHBondContact O-CB 3.32Å; R244-L248 PolarHBondContact O-N 2.87Å; V246-L248 PolarHBondContact O-N 2.91Å; L248-R251 PolarHBondContact O-N 3.48Å; L248-I252 WeakPolarHBondContact O-CD1 3.34Å; L248-I252 VanDerWaalsContact O-CG1 3.25Å; L248-I252 WeakPolarHBondContact O-CG1 3.44Å; L248-I252 PolarHBondContact O-N 3.37Å |
| 249 | R | 75.6 | Confident | 75 | Confident | 203 Ų | 203 | 121 Ų | 121 | 77% | 0.766 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -67.1 | -38.4 | 178 | -165.4 | 177.6 | -171.3 | -176.4 | 2.5 | 112 | H245 V246 I252 F253 | H245-R249 WeakPolarHBondContact O-CB 3.43Å; H245-R249 PolarHBondContact O-N 2.94Å; V246-R249 CarbonylContact O-C 3.57Å; V246-R249 WeakPolarHBondContact O-CB 3.28Å; V246-R249 PolarHBondContact O-N 3.44Å; V246-R249 VanDerWaalsContact O-N 3.11Å; R249-I252 PolarHBondContact O-N 3.21Å; R249-F253 WeakPolarHBondContact O-CB 3.4Å; R249-F253 PolarHBondContact O-N 3.01Å |
| 250 | E | 77.6 | Confident | 75.1 | Confident | 100 Ų | 100 | 121.4 Ų | 121.4 | 47% | 0.467 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.9 | -43.6 | 174.5 | -158.6 | -159.2 | 149.9 | 0 | 0 | 111.1 | V246 Y247 I252 F253 W254 | V246-E250 WeakPolarHBondContact O-CB 3.27Å; V246-E250 PolarHBondContact O-N 3.48Å; Y247-E250 PolarHBondContact O-N 2.98Å; E250-I252 PolarHBondContact O-N 2.92Å; E250-F253 WeakPolarHBondContact O-CB 3.48Å; E250-F253 PolarHBondContact O-N 2.86Å; E250-F253 VanDerWaalsContact O-N 3.15Å; E250-W254 VanDerWaalsContact O-CD1 3.3Å; E250-W254 PolarHBondContact O-N 3.49Å; E250-W254 PolarHBondContact OE1-NE1 2.88Å; E250-W254 VanDerWaalsContact OE1-NE1 3.15Å |
| 251 | R | 74.9 | Confident | 74.8 | Confident | 157 Ų | 157 | 123.4 Ų | 123.4 | 59% | 0.592 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -60.6 | -44.1 | 174.9 | -171.5 | 178 | -178.9 | -172 | 1 | 111.8 | Y247 L248 F253 W254 Q255 | Y247-R251 WeakPolarHBondContact O-CB 3.37Å; Y247-R251 PolarHBondContact O-N 2.87Å; L248-R251 PolarHBondContact O-N 3.48Å; R251-F253 VanDerWaalsContact C-N 3.33Å; R251-W254 PolarHBondContact O-N 3.44Å; R251-Q255 VanDerWaalsContact O-CB 3.29Å; R251-Q255 WeakPolarHBondContact O-CB 3.43Å; R251-Q255 PolarHBondContact O-N 3.46Å |
| 252 | I | 77.6 | Confident | 74.7 | Confident | 96 Ų | 96 | 122.6 Ų | 122.6 | 49% | 0.492 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.1 | -40.7 | 174.4 | -67.7 | 162.7 | 0 | 0 | 0 | 110.7 | L248 R249 E250 Q255 Q256 | L248-I252 WeakPolarHBondContact O-CD1 3.34Å; L248-I252 VanDerWaalsContact O-CG1 3.25Å; L248-I252 WeakPolarHBondContact O-CG1 3.44Å; L248-I252 PolarHBondContact O-N 3.37Å; R249-I252 PolarHBondContact O-N 3.21Å; E250-I252 PolarHBondContact O-N 2.92Å; I252-Q255 PolarHBondContact O-N 3.42Å; I252-Q256 WeakPolarHBondContact O-CG 3.39Å; I252-Q256 PolarHBondContact O-N 3.3Å |
| 253 | F | 77.4 | Confident | 74.7 | Confident | 133 Ų | 133 | 117.1 Ų | 117.1 | 58% | 0.583 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.6 | -45.9 | 176.7 | -178 | -99.3 | 0 | 0 | 0 | 112.2 | R249 E250 R251 Q255 Q256 L257 | R249-F253 WeakPolarHBondContact O-CB 3.4Å; R249-F253 PolarHBondContact O-N 3.01Å; E250-F253 WeakPolarHBondContact O-CB 3.48Å; E250-F253 PolarHBondContact O-N 2.86Å; E250-F253 VanDerWaalsContact O-N 3.15Å; R251-F253 VanDerWaalsContact C-N 3.33Å; F253-Q255 VanDerWaalsContact C-N 3.29Å; F253-Q255 PolarHBondContact O-N 2.98Å; F253-Q256 PolarHBondContact O-N 2.89Å; F253-L257 VanDerWaalsContact O-CB 3.31Å; F253-L257 WeakPolarHBondContact O-CB 3.32Å; F253-L257 PolarHBondContact O-N 2.9Å |
| 254 | W | 70.6 | Confident | 74.7 | Confident | 133 Ų | 133 | 115.5 Ų | 115.5 | 50% | 0.504 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.4 | -34.5 | 173.5 | -83.3 | 110.2 | 0 | 0 | 0 | 112.9 | E250 R251 L257 S258 | E250-W254 VanDerWaalsContact O-CD1 3.3Å; E250-W254 PolarHBondContact O-N 3.49Å; E250-W254 PolarHBondContact OE1-NE1 2.88Å; E250-W254 VanDerWaalsContact OE1-NE1 3.15Å; R251-W254 PolarHBondContact O-N 3.44Å; W254-L257 HydrophobicContact CE3-CD2 4.13Å; W254-L257 HydrophobicContact CZ3-CD2 4.07Å; W254-L257 PolarHBondContact O-N 2.94Å; W254-S258 WeakPolarHBondContact O-CB 3.27Å; W254-S258 PolarHBondContact O-N 3.33Å; W254-S258 PolarHBondContact O-OG 3.48Å |
| 255 | Q | 73.4 | Confident | 74.3 | Confident | 116 Ų | 116 | 117.3 Ų | 117.3 | 54% | 0.542 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -72.6 | -36.6 | 177.2 | -161.2 | 168.4 | 3.1 | 0 | 0 | 112 | R251 I252 F253 S258 I259 | R251-Q255 VanDerWaalsContact O-CB 3.29Å; R251-Q255 WeakPolarHBondContact O-CB 3.43Å; R251-Q255 PolarHBondContact O-N 3.46Å; I252-Q255 PolarHBondContact O-N 3.42Å; F253-Q255 VanDerWaalsContact C-N 3.29Å; F253-Q255 PolarHBondContact O-N 2.98Å; Q255-S258 PolarHBondContact O-OG 2.86Å; Q255-I259 WeakPolarHBondContact O-CD1 3.36Å; Q255-I259 VanDerWaalsContact O-CG1 3.25Å; Q255-I259 WeakPolarHBondContact O-CG1 3.38Å; Q255-I259 PolarHBondContact O-N 3.19Å |
| 256 | Q | 72.6 | Confident | 73.6 | Confident | 122 Ų | 122 | 113.9 Ų | 113.9 | 57% | 0.57 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -67.8 | -40.3 | 169.2 | -72.5 | -69.9 | -9.3 | 0 | 0 | 111.6 | I252 F253 I259 L260 | I252-Q256 WeakPolarHBondContact O-CG 3.39Å; I252-Q256 PolarHBondContact O-N 3.3Å; F253-Q256 PolarHBondContact O-N 2.89Å; Q256-I259 PolarHBondContact O-N 3.19Å; Q256-L260 WeakPolarHBondContact O-CB 3.39Å; Q256-L260 PolarHBondContact O-N 2.94Å |
| 257 | L | 73.8 | Confident | 73.2 | Confident | 49 Ų | 49 | 113.5 Ų | 113.5 | 26% | 0.257 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -69 | -32.7 | 178.4 | -164.8 | 71.9 | 0 | 0 | 0 | 112.3 | F253 W254 R261 | F253-L257 VanDerWaalsContact O-CB 3.31Å; F253-L257 WeakPolarHBondContact O-CB 3.32Å; F253-L257 PolarHBondContact O-N 2.9Å; W254-L257 HydrophobicContact CE3-CD2 4.13Å; W254-L257 HydrophobicContact CZ3-CD2 4.07Å; W254-L257 PolarHBondContact O-N 2.94Å; L257-R261 WeakPolarHBondContact O-CB 3.48Å; L257-R261 VanDerWaalsContact O-CG 3.27Å; L257-R261 WeakPolarHBondContact O-CG 3.35Å; L257-R261 PolarHBondContact O-N 3.34Å |
| 258 | S | 69.9 | Low | 72.5 | Confident | 64 Ų | 64 | 111.3 Ų | 111.3 | 45% | 0.448 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -71.2 | -40 | 174.1 | 69.4 | 0 | 0 | 0 | 0 | 111.8 | W254 Q255 R261 L262 | W254-S258 WeakPolarHBondContact O-CB 3.27Å; W254-S258 PolarHBondContact O-N 3.33Å; W254-S258 PolarHBondContact O-OG 3.48Å; Q255-S258 PolarHBondContact O-OG 2.86Å; S258-R261 PolarHBondContact O-N 3.46Å; S258-L262 WeakPolarHBondContact O-CB 3.41Å; S258-L262 PolarHBondContact O-N 2.88Å |
| 259 | I | 75.1 | Confident | 71.5 | Confident | 93 Ų | 93 | 113.4 Ų | 113.4 | 48% | 0.477 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.3 | -48.2 | 170.5 | -67.1 | 163.9 | 0 | 0 | 0 | 110.1 | Q255 Q256 R261 L262 V263 | Q255-I259 WeakPolarHBondContact O-CD1 3.36Å; Q255-I259 VanDerWaalsContact O-CG1 3.25Å; Q255-I259 WeakPolarHBondContact O-CG1 3.38Å; Q255-I259 PolarHBondContact O-N 3.19Å; Q256-I259 PolarHBondContact O-N 3.19Å; I259-R261 PolarHBondContact O-N 3.48Å; I259-L262 WeakPolarHBondContact O-CB 3.38Å; I259-L262 PolarHBondContact O-N 2.97Å; I259-L262 VanDerWaalsContact O-N 3.09Å; I259-V263 HydrophobicContact CG2-CG2 4.49Å; I259-V263 WeakPolarHBondContact O-CG2 3.3Å; I259-V263 PolarHBondContact O-N 3.11Å |
| 260 | L | 76.9 | Confident | 70.7 | Confident | 110 Ų | 110 | 108.8 Ų | 108.8 | 58% | 0.576 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.5 | -40 | 178.4 | -173.3 | 65.8 | 0 | 0 | 0 | 112.3 | Q256 L262 V263 L264 | Q256-L260 WeakPolarHBondContact O-CB 3.39Å; Q256-L260 PolarHBondContact O-N 2.94Å; L260-L262 VanDerWaalsContact C-N 3.33Å; L260-V263 PolarHBondContact O-N 3.4Å; L260-L264 VanDerWaalsContact O-CB 3.28Å; L260-L264 WeakPolarHBondContact O-CB 3.44Å; L260-L264 PolarHBondContact O-N 2.97Å |
| 261 | R | 68.9 | Low | 69.5 | Low | 161 Ų | 161 | 108 Ų | 108 | 61% | 0.608 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.8 | -36.4 | 172.3 | -79 | 178.7 | -178.6 | -161.2 | 1.7 | 112.3 | L257 S258 I259 R265 | L257-R261 WeakPolarHBondContact O-CB 3.48Å; L257-R261 VanDerWaalsContact O-CG 3.27Å; L257-R261 WeakPolarHBondContact O-CG 3.35Å; L257-R261 PolarHBondContact O-N 3.34Å; S258-R261 PolarHBondContact O-N 3.46Å; I259-R261 PolarHBondContact O-N 3.48Å; R261-R265 VanDerWaalsContact O-CB 3.28Å; R261-R265 WeakPolarHBondContact O-CB 3.46Å; R261-R265 PolarHBondContact O-N 3.49Å |
| 262 | L | 73.1 | Confident | 68.4 | Low | 112 Ų | 112 | 105.5 Ų | 105.5 | 59% | 0.586 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -68.4 | -44.6 | 177.2 | -158.4 | 76.6 | 0 | 0 | 0 | 110.9 | S258 I259 L260 R265 T266 | S258-L262 WeakPolarHBondContact O-CB 3.41Å; S258-L262 PolarHBondContact O-N 2.88Å; I259-L262 WeakPolarHBondContact O-CB 3.38Å; I259-L262 PolarHBondContact O-N 2.97Å; I259-L262 VanDerWaalsContact O-N 3.09Å; L260-L262 VanDerWaalsContact C-N 3.33Å; L262-R265 PolarHBondContact O-N 2.82Å; L262-T266 PolarHBondContact O-N 3.01Å; L262-T266 PolarHBondContact O-OG1 2.91Å |
| 263 | V | 74.5 | Confident | 67.1 | Low | 78 Ų | 78 | 104 Ų | 104 | 47% | 0.473 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.3 | -42.8 | 174.9 | 173.9 | 0 | 0 | 0 | 0 | 111.5 | I259 L260 R265 T266 V267 | I259-V263 HydrophobicContact CG2-CG2 4.49Å; I259-V263 WeakPolarHBondContact O-CG2 3.3Å; I259-V263 PolarHBondContact O-N 3.11Å; L260-V263 PolarHBondContact O-N 3.4Å; V263-R265 VanDerWaalsContact C-N 3.29Å; V263-R265 PolarHBondContact O-N 2.7Å; V263-T266 WeakPolarHBondContact CA-OG1 3.47Å; V263-T266 PolarHBondContact O-N 3.13Å; V263-T266 PolarHBondContact O-OG1 3.21Å; V263-V267 WeakPolarHBondContact O-CG2 3.4Å; V263-V267 PolarHBondContact O-N 2.87Å |
| 264 | L | 72.8 | Confident | 65.7 | Low | 105 Ų | 105 | 104.3 Ų | 104.3 | 55% | 0.55 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.7 | -37.1 | 175.5 | -172.4 | 66.2 | 0 | 0 | 0 | 111.4 | L260 V267 L268 | L260-L264 VanDerWaalsContact O-CB 3.28Å; L260-L264 WeakPolarHBondContact O-CB 3.44Å; L260-L264 PolarHBondContact O-N 2.97Å; L264-V267 PolarHBondContact O-N 3.35Å; L264-L268 HydrophobicContact CG-CD1 4.44Å; L264-L268 WeakPolarHBondContact O-CB 3.33Å; L264-L268 PolarHBondContact O-N 2.99Å |
| 265 | R | 67.6 | Low | 64.7 | Low | 170 Ų | 170 | 107.5 Ų | 107.5 | 64% | 0.642 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -66.5 | -38.7 | 173.1 | 176 | 176.9 | -84.1 | 175 | -8.1 | 112.2 | R261 L262 V263 Q269 | R261-R265 VanDerWaalsContact O-CB 3.28Å; R261-R265 WeakPolarHBondContact O-CB 3.46Å; R261-R265 PolarHBondContact O-N 3.49Å; L262-R265 PolarHBondContact O-N 2.82Å; V263-R265 VanDerWaalsContact C-N 3.29Å; V263-R265 PolarHBondContact O-N 2.7Å; R265-Q269 WeakPolarHBondContact O-CB 3.45Å; R265-Q269 PolarHBondContact O-N 3.42Å |
| 266 | T | 64.9 | Low | 63.3 | Low | 65 Ų | 65 | 104.7 Ų | 104.7 | 40% | 0.399 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -69.3 | -37.6 | 175.3 | 54 | 0 | 0 | 0 | 0 | 111.9 | L262 V263 Q269 I270 | L262-T266 PolarHBondContact O-N 3.01Å; L262-T266 PolarHBondContact O-OG1 2.91Å; V263-T266 WeakPolarHBondContact CA-OG1 3.47Å; V263-T266 PolarHBondContact O-N 3.13Å; V263-T266 PolarHBondContact O-OG1 3.21Å; T266-Q269 PolarHBondContact O-N 3.12Å; T266-I270 VanDerWaalsContact O-CG1 3.28Å; T266-I270 WeakPolarHBondContact O-CG1 3.35Å; T266-I270 PolarHBondContact O-N 2.84Å |
| 267 | V | 66.9 | Low | 61.9 | Low | 85 Ų | 85 | 111 Ų | 111 | 52% | 0.515 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -64.4 | -43.7 | 173.5 | 174 | 0 | 0 | 0 | 0 | 111.5 | V263 L264 Q269 I270 D271 | V263-V267 WeakPolarHBondContact O-CG2 3.4Å; V263-V267 PolarHBondContact O-N 2.87Å; L264-V267 PolarHBondContact O-N 3.35Å; V267-Q269 VanDerWaalsContact C-N 3.33Å; V267-Q269 PolarHBondContact O-N 3.33Å; V267-I270 PolarHBondContact O-N 3.47Å; V267-D271 PolarHBondContact O-N 3.21Å |
| 268 | L | 61.7 | Low | 60.2 | Low | 101 Ų | 101 | 111.9 Ų | 111.9 | 53% | 0.529 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -63.9 | -33.9 | 172.1 | -92.5 | 158.1 | 0 | 0 | 0 | 113.1 | L264 N272 | L264-L268 HydrophobicContact CG-CD1 4.44Å; L264-L268 WeakPolarHBondContact O-CB 3.33Å; L264-L268 PolarHBondContact O-N 2.99Å; L268-N272 WeakPolarHBondContact O-CB 3.41Å; L268-N272 PolarHBondContact O-N 3.49Å |
| 269 | Q | 56.4 | Low | 58.8 | Low | 128 Ų | 128 | 117.3 Ų | 117.3 | 60% | 0.598 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -69.5 | -35.3 | 172.1 | -90.4 | -169 | -86.9 | 0 | 0 | 112.6 | R265 T266 V267 A273 | R265-Q269 WeakPolarHBondContact O-CB 3.45Å; R265-Q269 PolarHBondContact O-N 3.42Å; T266-Q269 PolarHBondContact O-N 3.12Å; V267-Q269 VanDerWaalsContact C-N 3.33Å; V267-Q269 PolarHBondContact O-N 3.33Å; Q269-A273 WeakPolarHBondContact O-CB 3.22Å; Q269-A273 PolarHBondContact O-N 2.88Å |
| 270 | I | 58.6 | Low | 57.1 | Low | 107 Ų | 107 | 116.1 Ų | 116.1 | 55% | 0.549 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -66.4 | -42.3 | 175 | -70.8 | 161.6 | 0 | 0 | 0 | 110.4 | T266 V267 A273 N274 | T266-I270 VanDerWaalsContact O-CG1 3.28Å; T266-I270 WeakPolarHBondContact O-CG1 3.35Å; T266-I270 PolarHBondContact O-N 2.84Å; V267-I270 PolarHBondContact O-N 3.47Å; I270-A273 PolarHBondContact O-N 3.05Å; I270-N274 PolarHBondContact O-N 2.97Å; I270-N274 VanDerWaalsContact O-N 3.13Å |
| 271 | D | 51.8 | Low | 55 | Low | 84 Ų | 84 | 118.2 Ų | 118.2 | 45% | 0.449 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -66.2 | -38.7 | 177 | -160.2 | 58.7 | 0 | 0 | 0 | 112.3 | V267 R275 | V267-D271 PolarHBondContact O-N 3.21Å; D271-R275 IonicContact OD2-NH1 3.39Å; D271-R275 PolarHBondContact OD2-NH1 2.93Å |
| 272 | N | 51.7 | Low | 53.6 | Low | 103 Ų | 103 | 116.2 Ų | 116.2 | 55% | 0.551 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -70.6 | -34.7 | 171.9 | -81.8 | -17 | 0 | 0 | 0 | 113.2 | L268 N274 R275 G276 | L268-N272 WeakPolarHBondContact O-CB 3.41Å; L268-N272 PolarHBondContact O-N 3.49Å; N272-N274 VanDerWaalsContact C-N 3.3Å; N272-N274 PolarHBondContact O-N 3.05Å; N272-R275 PolarHBondContact O-N 2.74Å; N272-G276 PolarHBondContact O-N 2.88Å |
| 273 | A | 50.2 | Low | 51.7 | Low | 66 Ų | 66 | 119.9 Ų | 119.9 | 55% | 0.545 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -65.6 | -33.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q269 I270 R275 G276 | Q269-A273 WeakPolarHBondContact O-CB 3.22Å; Q269-A273 PolarHBondContact O-N 2.88Å; I270-A273 PolarHBondContact O-N 3.05Å; A273-R275 PolarHBondContact O-N 3.37Å; A273-G276 PolarHBondContact O-N 2.9Å |
| 274 | N | 47.8 | Very low | 49.8 | Very low | 139 Ų | 139 | 122.3 Ų | 122.3 | 74% | 0.743 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | -9.7 | 171.6 | -79.1 | -18.8 | 0 | 0 | 0 | 114 | I270 N272 | I270-N274 PolarHBondContact O-N 2.97Å; I270-N274 VanDerWaalsContact O-N 3.13Å; N272-N274 VanDerWaalsContact C-N 3.3Å; N272-N274 PolarHBondContact O-N 3.05Å |
| 275 | R | 49.3 | Very low | 47.9 | Very low | 199 Ų | 199 | 123.4 Ų | 123.4 | 75% | 0.751 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.2 | -3.2 | 177 | -78.4 | -174.1 | 165.8 | 115.5 | -3.5 | 114.5 | D271 N272 A273 | D271-R275 IonicContact OD2-NH1 3.39Å; D271-R275 PolarHBondContact OD2-NH1 2.93Å; N272-R275 PolarHBondContact O-N 2.74Å; A273-R275 PolarHBondContact O-N 3.37Å |
| 276 | G | 45.2 | Very low | 46.4 | Very low | 57 Ų | 57 | 125.8 Ų | 125.8 | 59% | 0.588 | 66% | 0.658 | S | S | * | * | trans | -129.5 | 49.8 | -168.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | N272 A273 G278 | N272-G276 PolarHBondContact O-N 2.88Å; A273-G276 PolarHBondContact O-N 2.9Å; G276-G278 PolarHBondContact O-N 3.48Å | ||
| 277 | R | 42.8 | Very low | 45.2 | Very low | 256 Ų | 256 | 132.9 Ų | 132.9 | 97% | 0.966 | 68% | 0.678 | S | S | * | * | trans | -93.5 | 87.6 | 169.4 | -165.1 | 178.7 | -144.3 | -97.1 | -0.1 | 110.6 | ||||
| 278 | G | 38 | Very low | 43.7 | Very low | 67 Ų | 67 | 135.4 Ų | 135.4 | 69% | 0.691 | 69% | 0.688 | S | S | * | * | trans | -151.9 | 147.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | G276 | G276-G278 PolarHBondContact O-N 3.48Š| ||
| 279 | D | 39.8 | Very low | 43.3 | Very low | 178 Ų | 178 | 135.5 Ų | 135.5 | 95% | 0.952 | 70% | 0.695 | S | S | * | * | trans | -43.3 | 152.9 | -175.8 | -60.6 | -50.4 | 0 | 0 | 0 | 114.9 | ||||
| 280 | G | 40.7 | Very low | 43.3 | Very low | 68 Ų | 68 | 135.2 Ų | 135.2 | 70% | 0.701 | 70% | 0.704 | S | S | * | * | cis | 164.2 | 143.6 | 4.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 281 | D | 33 | Very low | 42.3 | Very low | 154 Ų | 154 | 137.7 Ų | 137.7 | 82% | 0.824 | 72% | 0.718 | S | S | * | * | trans | 39.4 | 114.8 | 169.1 | -73.9 | -1.8 | 0 | 0 | 0 | 122.2 | ||||
| 282 | T | 38.3 | Very low | 41.6 | Very low | 118 Ų | 118 | 137.1 Ų | 137.1 | 72% | 0.724 | 73% | 0.732 | S | S | * | * | 26.8 | 142 | 121.3 | 36.6 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 283 | R | 33.6 | Very low | 40.7 | Very low | 190 Ų | 190 | 144.2 Ų | 144.2 | 72% | 0.717 | 75% | 0.751 | S | S | * | * | cis | -171.2 | 149 | 42.8 | -143.6 | 171.6 | 158.1 | -169.4 | -24.5 | 113.2 | ||||
| 284 | E | 34.6 | Very low | 40.2 | Very low | 129 Ų | 129 | 146 Ų | 146 | 60% | 0.603 | 77% | 0.766 | S | S | * | * | trans | 53.8 | 148.7 | 146.2 | -77.6 | 160.4 | -165.6 | 0 | 0 | 120.9 | ||||
| 285 | E | 33.1 | Very low | 39.5 | Very low | 127 Ų | 127 | 142.9 Ų | 142.9 | 59% | 0.593 | 77% | 0.766 | S | S | * | * | cis | -162.4 | 154.8 | -13.2 | -179.6 | 161.8 | 154.8 | 0 | 0 | 111 | ||||
| 286 | R | 36.4 | Very low | 38.7 | Very low | 221 Ų | 221 | 141.7 Ų | 141.7 | 83% | 0.834 | 78% | 0.775 | S | S | * | * | trans | 71.8 | 148 | 158.5 | -95.9 | 173 | -131.4 | -137 | -1.1 | 122.5 | ||||
| 287 | R | 39.8 | Very low | 38 | Very low | 214 Ų | 214 | 142.9 Ų | 142.9 | 81% | 0.808 | 79% | 0.787 | S | S | * | * | trans | -129.1 | 143.6 | 175.7 | -98.4 | -173.7 | -172.8 | 159.6 | 1.7 | 108.5 | ||||
| 288 | D | 34.3 | Very low | 37.4 | Very low | 138 Ų | 138 | 135.5 Ų | 135.5 | 74% | 0.738 | 78% | 0.781 | S | S | * | * | trans | 62.5 | 165.8 | 145.4 | -48.8 | -24.9 | 0 | 0 | 0 | 117.5 | ||||
| 289 | P | 54.3 | Low | 37 | Very low | 102 Ų | 102 | 142 Ų | 142 | 66% | 0.662 | 79% | 0.794 | S | S | * | * | cis | -130.1 | 178.7 | 5.2 | 41.1 | -23.8 | 0 | 0 | 0 | 115.4 | ||||
| 290 | P | 55.3 | Low | 36.4 | Very low | 122 Ų | 122 | 142.2 Ų | 142.2 | 79% | 0.792 | 79% | 0.789 | S | S | * | * | trans | -86.9 | 138.8 | 167.6 | 34.3 | -32.5 | 0 | 0 | 0 | 112.1 | ||||
| 291 | D | 37.9 | Very low | 35.7 | Very low | 160 Ų | 160 | 147.5 Ų | 147.5 | 86% | 0.856 | 80% | 0.795 | S | S | * | * | trans | -134.6 | 138.8 | 166.9 | -91 | -48 | 0 | 0 | 0 | 109.7 | ||||
| 292 | G | 37.8 | Very low | 35.4 | Very low | 71 Ų | 71 | 145.8 Ų | 145.8 | 73% | 0.732 | 79% | 0.785 | S | S | * | * | trans | -107.7 | 174.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 293 | R | 32.3 | Very low | 34.9 | Very low | 252 Ų | 252 | 147.3 Ų | 147.3 | 95% | 0.951 | 78% | 0.784 | S | S | * | * | trans | -158.6 | 145.6 | 155.4 | -117.7 | 176.8 | -167.2 | -143.2 | 1.4 | 112.2 | ||||
| 294 | A | 38.9 | Very low | 34.5 | Very low | 103 Ų | 103 | 145.2 Ų | 145.2 | 85% | 0.851 | 79% | 0.787 | S | S | * | * | trans | -80.8 | 157.6 | 162.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 295 | G | 33.3 | Very low | 34.2 | Very low | 74 Ų | 74 | 146.3 Ų | 146.3 | 76% | 0.763 | 80% | 0.796 | S | S | * | * | trans | -175.9 | 121.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 296 | D | 32.4 | Very low | 34.5 | Very low | 175 Ų | 175 | 146 Ų | 146 | 94% | 0.936 | 81% | 0.805 | S | S | * | * | trans | -73.4 | 163.4 | -176.9 | -50.7 | -75.1 | 0 | 0 | 0 | 113.2 | ||||
| 297 | G | 30.7 | Very low | 34 | Very low | 81 Ų | 81 | 141.1 Ų | 141.1 | 84% | 0.835 | 81% | 0.805 | S | S | * | * | trans | 172.8 | 99 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 298 | A | 30.2 | Very low | 33.3 | Very low | 101 Ų | 101 | 136.6 Ų | 136.6 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | trans | -83.8 | 148.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 299 | Q | 29.6 | Very low | 33.3 | Very low | 205 Ų | 205 | 135.2 Ų | 135.2 | 96% | 0.958 | 81% | 0.807 | S | S | * | * | trans | -145.3 | 139.6 | 152.1 | -112.8 | 159 | -27.5 | 0 | 0 | 109.6 | ||||
| 300 | Q | 28.4 | Very low | 32.3 | Very low | 182 Ų | 182 | 136.2 Ų | 136.2 | 85% | 0.85 | 82% | 0.817 | S | S | * | * | trans | -124.8 | 166.5 | -172 | 175.6 | 170.3 | -26.8 | 0 | 0 | 108.2 | ||||
| 301 | E | 26 | Very low | 31.2 | Very low | 179 Ų | 179 | 138.1 Ų | 138.1 | 84% | 0.836 | 82% | 0.821 | S | S | * | * | trans | 95.7 | 150.9 | -180 | -57.5 | -173.5 | 113.1 | 0 | 0 | 115.6 | ||||
| 302 | L | 26.6 | Very low | 30.8 | Very low | 117 Ų | 117 | 133.8 Ų | 133.8 | 61% | 0.613 | 81% | 0.814 | S | S | * | * | cis | -177.6 | 140.3 | -32.4 | 177 | 60.4 | 0 | 0 | 0 | 105.6 | ||||
| 303 | Q | 26.5 | Very low | 30.5 | Very low | 151 Ų | 151 | 135.3 Ų | 135.3 | 71% | 0.706 | 81% | 0.813 | S | S | * | * | trans | 64.2 | 155.9 | 166.8 | -79 | 151.9 | 5 | 0 | 0 | 115.4 | ||||
| 304 | D | 26.1 | Very low | 30.5 | Very low | 145 Ų | 145 | 131.3 Ų | 131.3 | 78% | 0.775 | 81% | 0.809 | S | S | * | * | cis | -142.8 | 162.3 | 9 | -102.5 | -38.6 | 0 | 0 | 0 | 112.7 | ||||
| 305 | L | 29.1 | Very low | 30.1 | Very low | 152 Ų | 152 | 136.6 Ų | 136.6 | 80% | 0.796 | 81% | 0.807 | S | S | * | * | trans | -95.9 | 149.1 | 158 | -103.7 | 155.7 | 0 | 0 | 0 | 108.4 | ||||
| 306 | P | 37.9 | Very low | 29.8 | Very low | 120 Ų | 120 | 139.5 Ų | 139.5 | 78% | 0.779 | 81% | 0.81 | S | S | * | * | -143.9 | 161.6 | 113 | 36.1 | -22.4 | 0 | 0 | 0 | 115.5 | |||||
| 307 | S | 25.9 | Very low | 29.8 | Very low | 119 Ų | 119 | 135.6 Ų | 135.6 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | trans | -71.6 | 149 | 173.8 | -39.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 308 | S | 26.4 | Very low | 30 | Very low | 119 Ų | 119 | 138 Ų | 138 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | trans | -151.4 | 138.7 | 140.5 | 70.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 309 | S | 33.6 | Very low | 30.1 | Very low | 109 Ų | 109 | 138.2 Ų | 138.2 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | trans | -72.6 | 151.7 | 171.1 | 49.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 310 | S | 33.6 | Very low | 30.3 | Very low | 124 Ų | 124 | 134.4 Ų | 134.4 | 87% | 0.867 | 79% | 0.789 | S | S | * | * | trans | -148.9 | 113 | 146.5 | -76.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 311 | D | 31 | Very low | 30.5 | Very low | 162 Ų | 162 | 131.5 Ų | 131.5 | 87% | 0.866 | 79% | 0.789 | S | S | * | * | trans | -69.2 | 154.1 | 163.9 | -168.6 | 0.3 | 0 | 0 | 0 | 109.2 | ||||
| 312 | G | 30.3 | Very low | 31.1 | Very low | 69 Ų | 69 | 131.4 Ų | 131.4 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | trans | -164 | 38.8 | -161.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | L314 | G312-L314 PolarHBondContact O-N 2.78Š| ||
| 313 | S | 32.3 | Very low | 31.3 | Very low | 102 Ų | 102 | 129.3 Ų | 129.3 | 71% | 0.713 | 80% | 0.8 | S | S | * | * | trans | -62 | 124.7 | 169.7 | 178.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 314 | L | 31.1 | Very low | 31.7 | Very low | 168 Ų | 168 | 130.7 Ų | 130.7 | 88% | 0.88 | 80% | 0.804 | S | S | * | * | trans | -148.7 | 123.2 | 153.9 | -117.4 | 149 | 0 | 0 | 0 | 112.4 | G312 | G312-L314 PolarHBondContact O-N 2.78Š| ||
| 315 | R | 31.9 | Very low | 32.2 | Very low | 214 Ų | 214 | 130.2 Ų | 130.2 | 81% | 0.808 | 80% | 0.801 | S | S | * | * | trans | -79.9 | 140.1 | 175.5 | -72.4 | -98.6 | 176 | 166.1 | -4.3 | 109.8 | ||||
| 316 | T | 26.1 | Very low | 32.5 | Very low | 135 Ų | 135 | 126.4 Ų | 126.4 | 83% | 0.828 | 80% | 0.798 | S | S | * | * | trans | -138.9 | 104.6 | 154.3 | -40.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 317 | S | 31.8 | Very low | 33 | Very low | 94 Ų | 94 | 130.8 Ų | 130.8 | 66% | 0.657 | 81% | 0.805 | S | S | * | * | trans | -87.6 | 150.8 | 163.7 | -46.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 318 | P | 36.6 | Very low | 33.8 | Very low | 132 Ų | 132 | 132 Ų | 132 | 86% | 0.857 | 80% | 0.802 | S | S | * | * | trans | -111.8 | 137.5 | 144.1 | 5.8 | 13.9 | 0 | 0 | 0 | 110.1 | ||||
| 319 | S | 30.6 | Very low | 35 | Very low | 105 Ų | 105 | 130.4 Ų | 130.4 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | trans | -134.2 | 164.3 | 171.9 | 58.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 320 | S | 35.3 | Very low | 36.2 | Very low | 124 Ų | 124 | 130.4 Ų | 130.4 | 87% | 0.867 | 78% | 0.781 | S | S | * | * | trans | 80 | 143.3 | -168.5 | 82.8 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 321 | S | 31.3 | Very low | 37.4 | Very low | 122 Ų | 122 | 127.2 Ų | 127.2 | 85% | 0.853 | 76% | 0.762 | S | S | * | * | cis | -140.1 | 176.9 | 11.3 | 60.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 322 | L | 38.4 | Very low | 39 | Very low | 177 Ų | 177 | 125 Ų | 125 | 93% | 0.927 | 75% | 0.746 | S | S | * | * | trans | -95.5 | 141.1 | -163.4 | 174.6 | 71.9 | 0 | 0 | 0 | 112.9 | ||||
| 323 | G | 31.6 | Very low | 41.2 | Very low | 73 Ų | 73 | 125.1 Ų | 125.1 | 75% | 0.753 | 74% | 0.736 | S | S | * | * | trans | 178.7 | 63.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 324 | K | 35.1 | Very low | 43.5 | Very low | 180 Ų | 180 | 125.5 Ų | 125.5 | 78% | 0.783 | 73% | 0.73 | S | S | * | * | trans | 50.3 | 134 | 149.7 | -91.8 | -171.7 | 149.6 | -146.2 | 0 | 124.6 | ||||
| 325 | D | 35.8 | Very low | 45.7 | Very low | 135 Ų | 135 | 122.9 Ų | 122.9 | 72% | 0.722 | 72% | 0.716 | S | S | * | * | trans | 70.4 | 105.2 | 139.8 | -54.2 | -21.2 | 0 | 0 | 0 | 120.5 | ||||
| 326 | G | 37 | Very low | 48 | Very low | 71 Ų | 71 | 116.4 Ų | 116.4 | 73% | 0.732 | 70% | 0.7 | S | S | * | * | trans | 156.4 | 87.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | L328 | G326-L328 PolarHBondContact O-N 2.96Š| ||
| 327 | K | 48 | Very low | 50.8 | Low | 212 Ų | 212 | 114 Ų | 114 | 92% | 0.922 | 68% | 0.682 | S | S | * | * | trans | -83.6 | 78.7 | -170.5 | -164.2 | 178.7 | -175.6 | -178.3 | 0 | 113.5 | ||||
| 328 | L | 41.4 | Very low | 53.2 | Low | 146 Ų | 146 | 115.1 Ų | 115.1 | 76% | 0.764 | 68% | 0.68 | S | S | * | * | trans | -148.8 | 142.2 | 173.8 | -66.4 | 173 | 0 | 0 | 0 | 108.9 | G326 | G326-L328 PolarHBondContact O-N 2.96Š| ||
| 329 | L | 52.6 | Low | 55.4 | Low | 84 Ų | 84 | 115 Ų | 115 | 44% | 0.44 | 67% | 0.666 | S | S | . | * | cis | -140.6 | 132.5 | -27.4 | -85.5 | 177.2 | 0 | 0 | 0 | 108.4 | A331 E332 | L329-A331 PolarHBondContact O-N 3.37Å; L329-E332 HydrophobicContact CB-CB 4.5Å; L329-E332 HydrophobicContact CB-CG 4.03Å; L329-E332 HydrophobicContact CD1-CG 4.32Å; L329-E332 PolarHBondContact O-N 2.93Å | ||
| 330 | P | 59.3 | Low | 57.9 | Low | 110 Ų | 110 | 113.6 Ų | 113.6 | 71% | 0.714 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -61.4 | -27.1 | 175.3 | -23.5 | 34.1 | 0 | 0 | 0 | 113.7 | L334 | P330-L334 PolarHBondContact O-N 3.35Å |
| 331 | A | 58.8 | Low | 60.4 | Low | 56 Ų | 56 | 112.4 Ų | 112.4 | 46% | 0.463 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -66.8 | -38.4 | -180 | 0 | 0 | 0 | 0 | 0 | 112.9 | L329 S333 L334 L335 | L329-A331 PolarHBondContact O-N 3.37Å; A331-S333 PolarHBondContact O-N 2.98Å; A331-L334 PolarHBondContact O-N 2.9Å; A331-L335 WeakPolarHBondContact O-CB 3.49Å; A331-L335 VanDerWaalsContact O-CG 3.28Å; A331-L335 WeakPolarHBondContact O-CG 3.28Å; A331-L335 PolarHBondContact O-N 3Å |
| 332 | E | 64.5 | Low | 63.1 | Low | 115 Ų | 115 | 112.5 Ų | 112.5 | 54% | 0.537 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -64.9 | -42.8 | -179.6 | -68.8 | 176 | 166.8 | 0 | 0 | 110.9 | L329 L334 L335 T336 | L329-E332 HydrophobicContact CB-CB 4.5Å; L329-E332 HydrophobicContact CB-CG 4.03Å; L329-E332 HydrophobicContact CD1-CG 4.32Å; L329-E332 PolarHBondContact O-N 2.93Å; E332-L334 VanDerWaalsContact C-N 3.3Å; E332-L334 PolarHBondContact O-N 3.5Å; E332-L335 PolarHBondContact O-N 3.2Å; E332-T336 WeakPolarHBondContact O-CG2 3.43Å; E332-T336 PolarHBondContact O-N 3.46Å; E332-T336 PolarHBondContact O-OG1 3.44Å |
| 333 | S | 76.2 | Confident | 65.4 | Low | 72 Ų | 72 | 108.8 Ų | 108.8 | 50% | 0.503 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -64.6 | -30 | 175.9 | -173.7 | 0 | 0 | 0 | 0 | 113.5 | A331 T336 L337 | A331-S333 PolarHBondContact O-N 2.98Å; S333-T336 WeakPolarHBondContact CA-OG1 3.3Å; S333-T336 PolarHBondContact O-OG1 3.32Å; S333-T336 VanDerWaalsContact O-OG1 3.05Å; S333-L337 VanDerWaalsContact O-CG 3.28Å; S333-L337 WeakPolarHBondContact O-CG 3.46Å; S333-L337 PolarHBondContact O-N 2.87Å |
| 334 | L | 79.5 | Confident | 68 | Low | 110 Ų | 110 | 111.6 Ų | 111.6 | 58% | 0.576 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -77.9 | -38.9 | 173.6 | -69.4 | 175.9 | 0 | 0 | 0 | 111.8 | P330 A331 E332 L337 L338 | P330-L334 PolarHBondContact O-N 3.35Å; A331-L334 PolarHBondContact O-N 2.9Å; E332-L334 VanDerWaalsContact C-N 3.3Å; E332-L334 PolarHBondContact O-N 3.5Å; L334-L337 PolarHBondContact O-N 3.1Å; L334-L338 WeakPolarHBondContact O-CG 3.5Å; L334-L338 PolarHBondContact O-N 3.47Å |
| 335 | L | 78.1 | Confident | 70.6 | Confident | 113 Ų | 113 | 109.2 Ų | 109.2 | 59% | 0.592 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -65.5 | -38.6 | 177.2 | -71.6 | 170.2 | 0 | 0 | 0 | 112 | A331 E332 L338 K339 | A331-L335 WeakPolarHBondContact O-CB 3.49Å; A331-L335 VanDerWaalsContact O-CG 3.28Å; A331-L335 WeakPolarHBondContact O-CG 3.28Å; A331-L335 PolarHBondContact O-N 3Å; E332-L335 PolarHBondContact O-N 3.2Å; L335-L338 PolarHBondContact O-N 2.93Å; L335-K339 WeakPolarHBondContact O-CB 3.35Å; L335-K339 PolarHBondContact O-N 3.31Å |
| 336 | T | 80.7 | Confident | 73.3 | Confident | 78 Ų | 78 | 105.8 Ų | 105.8 | 48% | 0.479 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -63.7 | -45.2 | 173.1 | 52 | 0 | 0 | 0 | 0 | 111.6 | E332 S333 L338 K339 E340 | E332-T336 WeakPolarHBondContact O-CG2 3.43Å; E332-T336 PolarHBondContact O-N 3.46Å; E332-T336 PolarHBondContact O-OG1 3.44Å; S333-T336 WeakPolarHBondContact CA-OG1 3.3Å; S333-T336 PolarHBondContact O-OG1 3.32Å; S333-T336 VanDerWaalsContact O-OG1 3.05Å; T336-L338 PolarHBondContact O-N 2.85Å; T336-K339 PolarHBondContact O-N 2.89Å; T336-E340 WeakPolarHBondContact O-CG 3.41Å; T336-E340 PolarHBondContact O-N 3.3Å |
| 337 | L | 83.4 | Confident | 76 | Confident | 84 Ų | 84 | 102.4 Ų | 102.4 | 44% | 0.44 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.4 | -40.5 | 177 | -71.3 | 175.1 | 0 | 0 | 0 | 113 | S333 L334 E340 Q341 | S333-L337 VanDerWaalsContact O-CG 3.28Å; S333-L337 WeakPolarHBondContact O-CG 3.46Å; S333-L337 PolarHBondContact O-N 2.87Å; L334-L337 PolarHBondContact O-N 3.1Å; L337-E340 PolarHBondContact O-N 3.19Å; L337-Q341 WeakPolarHBondContact O-CB 3.46Å; L337-Q341 VanDerWaalsContact O-CG 3.23Å; L337-Q341 WeakPolarHBondContact O-CG 3.41Å; L337-Q341 PolarHBondContact O-N 2.96Å |
| 338 | L | 82.4 | Confident | 78.2 | Confident | 119 Ų | 119 | 95.1 Ų | 95.1 | 62% | 0.623 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -63.7 | -43.5 | 175.2 | -72.7 | 172.6 | 0 | 0 | 0 | 111.4 | L334 L335 T336 Q341 E342 | L334-L338 WeakPolarHBondContact O-CG 3.5Å; L334-L338 PolarHBondContact O-N 3.47Å; L335-L338 PolarHBondContact O-N 2.93Å; T336-L338 PolarHBondContact O-N 2.85Å; L338-Q341 PolarHBondContact O-N 3.01Å; L338-E342 PolarHBondContact O-N 2.92Å |
| 339 | K | 82.8 | Confident | 80.6 | Confident | 129 Ų | 129 | 92.4 Ų | 92.4 | 56% | 0.561 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -62.6 | -44.4 | 176.9 | -170.2 | -179.3 | -179.6 | -167.3 | 0 | 112 | L335 T336 Q341 E342 E343 | L335-K339 WeakPolarHBondContact O-CB 3.35Å; L335-K339 PolarHBondContact O-N 3.31Å; T336-K339 PolarHBondContact O-N 2.89Å; K339-Q341 VanDerWaalsContact C-N 3.33Å; K339-Q341 PolarHBondContact O-N 3.46Å; K339-E342 PolarHBondContact O-N 2.91Å; K339-E343 WeakPolarHBondContact CE-OE1 3.38Å; K339-E343 IonicContact NZ-OE1 3.29Å; K339-E343 WeakPolarHBondContact O-CG 3.43Å; K339-E343 PolarHBondContact O-N 3.45Å |
| 340 | E | 84.6 | Confident | 82.5 | Confident | 75 Ų | 75 | 90.3 Ų | 90.3 | 35% | 0.35 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -61.5 | -39.5 | 173.9 | -72.5 | -178.9 | -164.9 | 0 | 0 | 112.6 | T336 L337 E342 R344 | T336-E340 WeakPolarHBondContact O-CG 3.41Å; T336-E340 PolarHBondContact O-N 3.3Å; L337-E340 PolarHBondContact O-N 3.19Å; E340-E342 VanDerWaalsContact C-N 3.3Å; E340-R344 WeakPolarHBondContact O-CB 3.49Å; E340-R344 WeakPolarHBondContact O-CG 3.36Å; E340-R344 PolarHBondContact O-N 2.75Å; E340-R344 IonicContact OE2-CZ 2.72Å; E340-R344 VanDerWaalsContact OE2-CZ 3.25Å; E340-R344 IonicContact OE2-NH1 2.96Å; E340-R344 PolarHBondContact OE2-NH1 3.23Å; E340-R344 IonicContact OE2-NH2 2.69Å; E340-R344 PolarHBondContact OE2-NH2 3.31Å |
| 341 | Q | 86.7 | Confident | 84 | Confident | 99 Ų | 99 | 91.7 Ų | 91.7 | 46% | 0.463 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -67.3 | -31.6 | 177 | -72.6 | -66.2 | -28.3 | 0 | 0 | 112.1 | L337 L338 K339 K345 | L337-Q341 WeakPolarHBondContact O-CB 3.46Å; L337-Q341 VanDerWaalsContact O-CG 3.23Å; L337-Q341 WeakPolarHBondContact O-CG 3.41Å; L337-Q341 PolarHBondContact O-N 2.96Å; L338-Q341 PolarHBondContact O-N 3.01Å; K339-Q341 VanDerWaalsContact C-N 3.33Å; K339-Q341 PolarHBondContact O-N 3.46Å; Q341-K345 WeakPolarHBondContact O-CG 3.34Å |
| 342 | E | 88 | Confident | 85.5 | Confident | 124 Ų | 124 | 95 Ų | 95 | 58% | 0.579 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -72.7 | -47.6 | 173 | -174.1 | 165.7 | -151.9 | 0 | 0 | 111.6 | L338 K339 E340 R344 K345 K346 | L338-E342 PolarHBondContact O-N 2.92Å; K339-E342 PolarHBondContact O-N 2.91Å; E340-E342 VanDerWaalsContact C-N 3.3Å; E342-R344 VanDerWaalsContact C-N 3.31Å; E342-R344 PolarHBondContact O-N 3.28Å; E342-K345 WeakPolarHBondContact O-CB 3.35Å; E342-K345 PolarHBondContact O-N 3.44Å; E342-K346 WeakPolarHBondContact O-CG 3.45Å |
| 343 | E | 87.4 | Confident | 86.9 | Confident | 99 Ų | 99 | 92 Ų | 92 | 46% | 0.463 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -58.1 | -40.5 | 175.5 | -73 | 172.2 | -176 | 0 | 0 | 112 | K339 K345 K346 | K339-E343 WeakPolarHBondContact CE-OE1 3.38Å; K339-E343 IonicContact NZ-OE1 3.29Å; K339-E343 WeakPolarHBondContact O-CG 3.43Å; K339-E343 PolarHBondContact O-N 3.45Å; E343-K345 PolarHBondContact O-N 2.94Å; E343-K345 VanDerWaalsContact O-N 3.14Å; E343-K346 PolarHBondContact O-N 2.96Å |
| 344 | R | 85.9 | Confident | 87.6 | Confident | 132 Ų | 132 | 92.8 Ų | 92.8 | 50% | 0.498 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -19.1 | 173.7 | -75.2 | 171.6 | -172.8 | 122.5 | 10.5 | 114.1 | E340 E342 K355 | E340-R344 WeakPolarHBondContact O-CB 3.49Å; E340-R344 WeakPolarHBondContact O-CG 3.36Å; E340-R344 PolarHBondContact O-N 2.75Å; E340-R344 IonicContact OE2-CZ 2.72Å; E340-R344 VanDerWaalsContact OE2-CZ 3.25Å; E340-R344 IonicContact OE2-NH1 2.96Å; E340-R344 PolarHBondContact OE2-NH1 3.23Å; E340-R344 IonicContact OE2-NH2 2.69Å; E340-R344 PolarHBondContact OE2-NH2 3.31Å; E342-R344 VanDerWaalsContact C-N 3.31Å; E342-R344 PolarHBondContact O-N 3.28Å; R344-K355 WeakPolarHBondContact O-CE 3.34Å; R344-K355 PolarHBondContact O-NZ 2.95Å |
| 345 | K | 89.4 | Confident | 88.4 | Confident | 131 Ų | 131 | 89.7 Ų | 89.7 | 57% | 0.57 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -8.7 | 176.2 | -68.5 | 170 | -175.3 | 179.4 | 0 | 113.5 | Q341 E342 E343 T354 K355 | Q341-K345 WeakPolarHBondContact O-CG 3.34Å; E342-K345 WeakPolarHBondContact O-CB 3.35Å; E342-K345 PolarHBondContact O-N 3.44Å; E343-K345 PolarHBondContact O-N 2.94Å; E343-K345 VanDerWaalsContact O-N 3.14Å; K345-T354 WeakPolarHBondContact O-CA 3.38Å; K345-K355 WeakPolarHBondContact O-CG 3.44Å; K345-K355 PolarHBondContact O-N 3.42Å |
| 346 | K | 92.5 | Very high | 89.2 | Confident | 63 Ų | 63 | 86 Ų | 86 | 27% | 0.274 | 43% | 0.429 | S | S | . | . | B | Isolated β-bridge | trans | -83.6 | 151.8 | -177.8 | -53.3 | -169.8 | -171.4 | -180 | 0 | 112.8 | E342 E343 Q351 C353 K355 | E342-K346 WeakPolarHBondContact O-CG 3.45Å; E343-K346 PolarHBondContact O-N 2.96Å; K346-Q351 WeakPolarHBondContact CD-O 3.49Å; K346-C353 CarbonylContact C-O 3.58Å; K346-C353 VanDerWaalsContact CA-O 3.31Å; K346-C353 WeakPolarHBondContact CA-O 3.43Å; K346-K355 WeakPolarHBondContact O-CE 3.31Å |
| 347 | C | 94.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 82.5 Ų | 82.5 | 0% | 0 | 41% | 0.407 | C | S | . | . | trans | -57.1 | 133.5 | 178.2 | 173.9 | 0 | 0 | 0 | 0 | 110.8 | I349 C350 Q351 C353 C368 | C347-I349 PolarHBondContact O-N 2.83Å; C347-C350 VanDerWaalsContact CB-SG 3.55Å; C347-Q351 VanDerWaalsContact O-CA 3.24Å; C347-Q351 WeakPolarHBondContact O-CA 3.42Å; C347-Q351 PolarHBondContact O-N 3.38Å; C347-C353 WeakPolarHBondContact CB-O 3.32Å; C347-C353 PolarHBondContact N-O 3.3Å; C347-C368 HydrophobicContact CB-CB 4.11Å; C347-C368 PolarHBondContact SG-N 3.24Å | ||
| 348 | V | 93.8 | Very high | 90.3 | Very high | 58 Ų | 58 | 79.4 Ų | 79.4 | 35% | 0.352 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -12.9 | -176.6 | -56.7 | 0 | 0 | 0 | 0 | 114.1 | C366 L367 P386 L387 | V348-C366 HydrophobicContact CG1-CB 4.28Å; V348-C366 HydrophobicContact CG2-CB 4.24Å; V348-C366 PolarHBondContact N-O 3.11Å; V348-L367 HydrophobicContact CG2-CD2 4.04Å; V348-P386 HydrophobicContact CG2-CB 3.86Å; V348-P386 HydrophobicContact CG2-CG 4.25Å; V348-L387 HydrophobicContact CG1-CD2 4.42Å |
| 349 | I | 91.8 | Very high | 91 | Very high | 90 Ų | 90 | 73.8 Ų | 73.8 | 46% | 0.462 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -58.8 | 178.4 | -65.3 | -178.8 | 0 | 0 | 0 | 111.3 | C347 L367 C371 L375 P386 | C347-I349 PolarHBondContact O-N 2.83Å; I349-L367 HydrophobicContact CB-CD2 4.25Å; I349-L367 HydrophobicContact CD1-CD1 4.46Å; I349-L367 HydrophobicContact CD1-CD2 3.5Å; I349-L367 VanDerWaalsContact CD1-CD2 3.5Å; I349-L367 HydrophobicContact CG1-CD2 3.62Å; I349-C371 HydrophobicContact CB-CB 4.08Å; I349-C371 HydrophobicContact CD1-CB 4.31Å; I349-C371 HydrophobicContact CG2-CB 4.28Å; I349-L375 HydrophobicContact CD1-CD1 4.27Å; I349-P386 HydrophobicContact CD1-CG 4.33Å |
| 350 | C | 93.2 | Very high | 91.5 | Very high | 39 Ų | 39 | 70.4 Ų | 70.4 | 26% | 0.264 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -22.1 | -178.5 | 63.2 | 0 | 0 | 0 | 0 | 114.4 | C347 D352 | C347-C350 VanDerWaalsContact CB-SG 3.55Å; C350-D352 PolarHBondContact O-N 3.3Å |
| 351 | Q | 91.3 | Very high | 91.8 | Very high | 139 Ų | 139 | 70 Ų | 70 | 65% | 0.65 | 35% | 0.354 | S | S | * | . | S | Bend | trans | 57.8 | 10.2 | -175.2 | -52.7 | -177.3 | 29.3 | 0 | 0 | 115.5 | K346 C347 | K346-Q351 WeakPolarHBondContact CD-O 3.49Å; C347-Q351 VanDerWaalsContact O-CA 3.24Å; C347-Q351 WeakPolarHBondContact O-CA 3.42Å; C347-Q351 PolarHBondContact O-N 3.38Å |
| 352 | D | 90.3 | Very high | 92.2 | Very high | 126 Ų | 126 | 66.9 Ų | 66.9 | 67% | 0.674 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -106.3 | -60 | 179.4 | -65.5 | -39.4 | 0 | 0 | 0 | 111.9 | C350 | C350-D352 PolarHBondContact O-N 3.3Š|
| 353 | C | 92.2 | Very high | 92.5 | Very high | 53 Ų | 53 | 70.7 Ų | 70.7 | 36% | 0.358 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -76.5 | 151.9 | -175.5 | -51.3 | 0 | 0 | 0 | 0 | 112.1 | K346 C347 C368 | K346-C353 CarbonylContact C-O 3.58Å; K346-C353 VanDerWaalsContact CA-O 3.31Å; K346-C353 WeakPolarHBondContact CA-O 3.43Å; C347-C353 WeakPolarHBondContact CB-O 3.32Å; C347-C353 PolarHBondContact N-O 3.3Å; C353-C368 HydrophobicContact CB-CB 3.65Å |
| 354 | T | 92.6 | Very high | 92.9 | Very high | 87 Ų | 87 | 69 Ų | 69 | 53% | 0.534 | 34% | 0.344 | S | S | . | . | B | Isolated β-bridge | trans | -67 | 155.6 | 171.8 | 50.1 | 0 | 0 | 0 | 0 | 112.4 | K345 T356 C368 | K345-T354 WeakPolarHBondContact O-CA 3.38Å; T354-T356 PolarHBondContact O-N 3.49Å; T354-C368 VanDerWaalsContact O-CB 3.3Å; T354-C368 WeakPolarHBondContact O-CB 3.49Å |
| 355 | K | 94.3 | Very high | 93.3 | Very high | 46 Ų | 46 | 65.8 Ų | 65.8 | 20% | 0.2 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -72.1 | 123.7 | 173.8 | -63.8 | 161.3 | 177.3 | -179.2 | 0 | 110.1 | R344 K345 K346 L365 L367 | R344-K355 WeakPolarHBondContact O-CE 3.34Å; R344-K355 PolarHBondContact O-NZ 2.95Å; K345-K355 WeakPolarHBondContact O-CG 3.44Å; K345-K355 PolarHBondContact O-N 3.42Å; K346-K355 WeakPolarHBondContact O-CE 3.31Å; K355-L365 HydrophobicContact CB-CD1 3.88Å; K355-L365 HydrophobicContact CB-CG 3.89Å; K355-L367 WeakPolarHBondContact CA-O 3.43Å |
| 356 | T | 94.9 | Very high | 93.5 | Very high | 36 Ų | 36 | 59.5 Ų | 59.5 | 22% | 0.221 | 31% | 0.309 | C | S | . | . | trans | -131.9 | -5.2 | -177.2 | 63.8 | 0 | 0 | 0 | 0 | 113.7 | T354 L367 R369 V398 | T354-T356 PolarHBondContact O-N 3.49Å; T356-L367 PolarHBondContact N-O 3.48Å; T356-R369 PolarHBondContact OG1-N 3.05Å; T356-V398 PolarHBondContact O-N 3.48Å | ||
| 357 | V | 93.6 | Very high | 93.6 | Very high | 3 Ų | 3 | 56.5 Ų | 56.5 | 2% | 0.018 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 129.6 | -174.8 | -166.4 | 0 | 0 | 0 | 0 | 112 | L359 L365 L367 R369 T372 T395 | V357-L359 HydrophobicContact CG1-CD2 4.45Å; V357-L365 WeakPolarHBondContact O-CD1 3.45Å; V357-L367 PolarHBondContact N-O 2.96Å; V357-R369 HydrophobicContact CG2-CG 3.93Å; V357-T372 HydrophobicContact CG1-CG2 4.14Å; V357-T395 HydrophobicContact CG1-CG2 4.38Å |
| 358 | V | 95.6 | Very high | 93.7 | Very high | 20 Ų | 20 | 56.7 Ų | 56.7 | 12% | 0.121 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 126.4 | 172.6 | 176.3 | 0 | 0 | 0 | 0 | 109.5 | R363 L365 T395 M396 V398 | V358-R363 HydrophobicContact CG1-CB 4.43Å; V358-L365 HydrophobicContact CG2-CB 4.18Å; V358-L365 HydrophobicContact CG2-CD1 4.18Å; V358-T395 WeakPolarHBondContact O-CA 3.46Å; V358-M396 PolarHBondContact N-O 2.98Å; V358-M396 PolarHBondContact O-N 2.94Å; V358-V398 HydrophobicContact CG2-CG2 3.58Å |
| 359 | L | 95.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 126.6 | -179.8 | -55.4 | -179.6 | 0 | 0 | 0 | 111.3 | V357 C362 R363 H364 L367 T372 C385 I392 T395 | V357-L359 HydrophobicContact CG1-CD2 4.45Å; L359-C362 PolarHBondContact O-N 3.37Å; L359-C362 PolarHBondContact O-SG 3.39Å; L359-C362 VanDerWaalsContact O-SG 3.34Å; L359-R363 VanDerWaalsContact O-CA 3.32Å; L359-R363 WeakPolarHBondContact O-CA 3.31Å; L359-R363 PolarHBondContact O-N 2.89Å; L359-H364 PolarHBondContact N-O 2.89Å; L359-H364 VanDerWaalsContact N-O 3.13Å; L359-L367 HydrophobicContact CD1-CD1 4.16Å; L359-L367 HydrophobicContact CD2-CD1 4.42Å; L359-T372 HydrophobicContact CD2-CG2 4.38Å; L359-C385 HydrophobicContact CD1-CB 3.99Å; L359-I392 HydrophobicContact CB-CG1 4.39Å; L359-I392 HydrophobicContact CD1-CD1 3.86Å; L359-I392 HydrophobicContact CD1-CG1 4.19Å; L359-I392 HydrophobicContact CD2-CD1 4.12Å; L359-I392 HydrophobicContact CD2-CG1 4.49Å; L359-I392 HydrophobicContact CD2-CG2 4.3Å; L359-I392 HydrophobicContact CG-CD1 4.48Å; L359-T395 HydrophobicContact CD2-CG2 3.73Å |
| 360 | L | 93.8 | Very high | 93.8 | Very high | 58 Ų | 58 | 59 Ų | 59 | 30% | 0.304 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 142.7 | 178.8 | -64.2 | 167.4 | 0 | 0 | 0 | 110.9 | R363 L393 N394 | L360-R363 HydrophobicContact CD2-CG 4.21Å; L360-L393 PolarHBondContact O-N 3Å; L360-N394 HydrophobicContact CB-CB 4.08Å; L360-N394 WeakPolarHBondContact CB-O 3.39Å; L360-N394 HydrophobicContact CD1-CB 3.97Å; L360-N394 PolarHBondContact N-O 2.95Å |
| 361 | P | 91.5 | Very high | 93.9 | Very high | 68 Ų | 68 | 57.7 Ų | 57.7 | 44% | 0.442 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -85.7 | -9.1 | 9.2 | 33.7 | -36.1 | 0 | 0 | 0 | 115 | R363 Q390 L393 | P361-R363 VanDerWaalsContact C-N 3.27Å; P361-R363 PolarHBondContact O-N 3.45Å; P361-Q390 HydrophobicContact CG-CG 4.38Å; P361-L393 HydrophobicContact CG-CD1 4.41Å |
| 362 | C | 95.6 | Very high | 94 | Very high | 33 Ų | 33 | 51.3 Ų | 51.3 | 22% | 0.223 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -9.1 | -168.5 | 70.9 | 0 | 0 | 0 | 0 | 116.4 | L359 H364 C385 C388 Q390 | L359-C362 PolarHBondContact O-N 3.37Å; L359-C362 PolarHBondContact O-SG 3.39Å; L359-C362 VanDerWaalsContact O-SG 3.34Å; C362-H364 PolarHBondContact O-N 2.96Å; C362-H364 VanDerWaalsContact O-N 3.14Å; C362-H364 PolarHBondContact O-ND1 3.3Å; C362-H364 PolarHBondContact SG-ND1 3.33Å; C362-H364 VanDerWaalsContact SG-ND1 3.44Å; C362-C385 VanDerWaalsContact SG-SG 3.62Å; C362-C388 VanDerWaalsContact CB-SG 3.51Å; C362-Q390 HydrophobicContact CB-CB 4.21Å; C362-Q390 HydrophobicContact CB-CG 4.5Å |
| 363 | R | 94.6 | Very high | 94.2 | Very high | 203 Ų | 203 | 49.7 Ų | 49.7 | 77% | 0.766 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.3 | 19.9 | 179.3 | -57 | -178.9 | -174.2 | -174.2 | 0.7 | 115.9 | V358 L359 L360 P361 L365 | V358-R363 HydrophobicContact CG1-CB 4.43Å; L359-R363 VanDerWaalsContact O-CA 3.32Å; L359-R363 WeakPolarHBondContact O-CA 3.31Å; L359-R363 PolarHBondContact O-N 2.89Å; L360-R363 HydrophobicContact CD2-CG 4.21Å; P361-R363 VanDerWaalsContact C-N 3.27Å; P361-R363 PolarHBondContact O-N 3.45Å; R363-L365 PolarHBondContact O-N 2.91Å |
| 364 | H | 95.7 | Very high | 94.2 | Very high | 65 Ų | 65 | 52.3 Ų | 52.3 | 30% | 0.301 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 120 | 178.8 | -74.5 | 109.8 | 0 | 0 | 0 | 112.4 | L359 C362 C366 L387 C388 | L359-H364 PolarHBondContact N-O 2.89Å; L359-H364 VanDerWaalsContact N-O 3.13Å; C362-H364 PolarHBondContact O-N 2.96Å; C362-H364 VanDerWaalsContact O-N 3.14Å; C362-H364 PolarHBondContact O-ND1 3.3Å; C362-H364 PolarHBondContact SG-ND1 3.33Å; C362-H364 VanDerWaalsContact SG-ND1 3.44Å; H364-C366 PolarHBondContact O-N 3.47Å; H364-L387 HydrophobicContact CB-CD1 4.19Å; H364-C388 PolarHBondContact ND1-SG 2.97Å |
| 365 | L | 94.3 | Very high | 94.1 | Very high | 63 Ų | 63 | 48.8 Ų | 48.8 | 33% | 0.33 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 97.1 | 167.1 | 179.4 | 58.4 | 0 | 0 | 0 | 109.2 | K355 V357 V358 R363 | K355-L365 HydrophobicContact CB-CD1 3.88Å; K355-L365 HydrophobicContact CB-CG 3.89Å; V357-L365 WeakPolarHBondContact O-CD1 3.45Å; V358-L365 HydrophobicContact CG2-CB 4.18Å; V358-L365 HydrophobicContact CG2-CD1 4.18Å; R363-L365 PolarHBondContact O-N 2.91Å |
| 366 | C | 93.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | -12 | -173.9 | 59.4 | 0 | 0 | 0 | 0 | 115.6 | V348 H364 L387 | V348-C366 HydrophobicContact CG1-CB 4.28Å; V348-C366 HydrophobicContact CG2-CB 4.24Å; V348-C366 PolarHBondContact N-O 3.11Å; H364-C366 PolarHBondContact O-N 3.47Å; C366-L387 HydrophobicContact CB-CD1 3.7Å; C366-L387 HydrophobicContact CB-CG 3.87Å |
| 367 | L | 94.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 154.2 | -175.7 | -62.6 | -179 | 0 | 0 | 0 | 112.6 | V348 I349 K355 T356 V357 L359 C371 T372 L375 P386 | V348-L367 HydrophobicContact CG2-CD2 4.04Å; I349-L367 HydrophobicContact CB-CD2 4.25Å; I349-L367 HydrophobicContact CD1-CD1 4.46Å; I349-L367 HydrophobicContact CD1-CD2 3.5Å; I349-L367 VanDerWaalsContact CD1-CD2 3.5Å; I349-L367 HydrophobicContact CG1-CD2 3.62Å; K355-L367 WeakPolarHBondContact CA-O 3.43Å; T356-L367 PolarHBondContact N-O 3.48Å; V357-L367 PolarHBondContact N-O 2.96Å; L359-L367 HydrophobicContact CD1-CD1 4.16Å; L359-L367 HydrophobicContact CD2-CD1 4.42Å; L367-C371 HydrophobicContact CD2-CB 4.28Å; L367-T372 VanDerWaalsContact CB-OG1 3.29Å; L367-T372 WeakPolarHBondContact CB-OG1 3.31Å; L367-L375 HydrophobicContact CD1-CD1 3.99Å; L367-P386 HydrophobicContact CD2-CG 4.25Å |
| 368 | C | 95.1 | Very high | 93.5 | Very high | 3 Ų | 3 | 62.1 Ų | 62.1 | 2% | 0.02 | 29% | 0.294 | C | S | . | . | trans | -83.6 | 169.8 | 159 | 67.7 | 0 | 0 | 0 | 0 | 110.6 | C347 C353 T354 D370 T372 | C347-C368 HydrophobicContact CB-CB 4.11Å; C347-C368 PolarHBondContact SG-N 3.24Å; C353-C368 HydrophobicContact CB-CB 3.65Å; T354-C368 VanDerWaalsContact O-CB 3.3Å; T354-C368 WeakPolarHBondContact O-CB 3.49Å; C368-D370 PolarHBondContact O-N 3.26Å; C368-T372 WeakPolarHBondContact O-CB 3.48Å; C368-T372 PolarHBondContact O-N 3.45Å; C368-T372 VanDerWaalsContact O-N 3.08Å; C368-T372 PolarHBondContact O-OG1 3.5Å | ||
| 369 | R | 94.2 | Very high | 93 | Very high | 97 Ų | 97 | 63.9 Ų | 63.9 | 37% | 0.366 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -56.6 | -47 | 177.3 | -78.3 | -177.9 | 169.9 | -167.1 | -3.5 | 113.1 | T356 V357 T372 N373 D397 Y399 | T356-R369 PolarHBondContact OG1-N 3.05Å; V357-R369 HydrophobicContact CG2-CG 3.93Å; R369-T372 WeakPolarHBondContact O-CB 3.33Å; R369-T372 PolarHBondContact O-N 3.02Å; R369-T372 VanDerWaalsContact O-N 3.16Å; R369-N373 PolarHBondContact O-N 3.25Å; R369-N373 PolarHBondContact O-ND2 2.85Å; R369-D397 WeakPolarHBondContact CG-OD1 3.25Å; R369-D397 VanDerWaalsContact CZ-CG 3.48Å; R369-D397 IonicContact CZ-OD1 3.24Å; R369-D397 IonicContact CZ-OD2 3.51Å; R369-D397 VanDerWaalsContact CZ-OD2 3.24Å; R369-D397 IonicContact NE-OD1 2.66Å; R369-D397 PolarHBondContact NE-OD1 3.11Å; R369-D397 IonicContact NE-OD2 2.78Å; R369-D397 PolarHBondContact NE-OD2 3.01Å; R369-D397 IonicContact NH2-OD1 3.8Å; R369-D397 PolarHBondContact NH2-OD1 3.03Å; R369-D397 IonicContact NH2-OD2 3.44Å; R369-D397 PolarHBondContact NH2-OD2 3.34Å; R369-Y399 PolarHBondContact NH2-OH 2.95Å |
| 370 | D | 94.9 | Very high | 92.4 | Very high | 101 Ų | 101 | 69.7 Ų | 69.7 | 54% | 0.54 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -66 | -46.1 | -173.3 | -52.9 | -60.2 | 0 | 0 | 0 | 112 | C368 T372 N373 I374 | C368-D370 PolarHBondContact O-N 3.26Å; D370-T372 VanDerWaalsContact C-N 3.29Å; D370-T372 PolarHBondContact O-N 3.46Å; D370-N373 PolarHBondContact O-N 2.95Å; D370-I374 WeakPolarHBondContact O-CG1 3.36Å; D370-I374 PolarHBondContact O-N 2.86Å |
| 371 | C | 93.9 | Very high | 91.8 | Very high | 11 Ų | 11 | 74.7 Ų | 74.7 | 7% | 0.074 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -63.3 | -34.5 | 173.7 | -65.8 | 0 | 0 | 0 | 0 | 112.5 | I349 L367 I374 L375 | I349-C371 HydrophobicContact CB-CB 4.08Å; I349-C371 HydrophobicContact CD1-CB 4.31Å; I349-C371 HydrophobicContact CG2-CB 4.28Å; L367-C371 HydrophobicContact CD2-CB 4.28Å; C371-I374 PolarHBondContact O-N 3.45Å; C371-L375 WeakPolarHBondContact O-CB 3.35Å; C371-L375 PolarHBondContact O-N 3Å |
| 372 | T | 94.1 | Very high | 91.6 | Very high | 5 Ų | 5 | 75.9 Ų | 75.9 | 3% | 0.031 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -66.5 | -44.2 | 174.8 | -52.7 | 0 | 0 | 0 | 0 | 111.1 | V357 L359 L367 C368 R369 D370 I374 L375 L376 T395 | V357-T372 HydrophobicContact CG1-CG2 4.14Å; L359-T372 HydrophobicContact CD2-CG2 4.38Å; L367-T372 VanDerWaalsContact CB-OG1 3.29Å; L367-T372 WeakPolarHBondContact CB-OG1 3.31Å; C368-T372 WeakPolarHBondContact O-CB 3.48Å; C368-T372 PolarHBondContact O-N 3.45Å; C368-T372 VanDerWaalsContact O-N 3.08Å; C368-T372 PolarHBondContact O-OG1 3.5Å; R369-T372 WeakPolarHBondContact O-CB 3.33Å; R369-T372 PolarHBondContact O-N 3.02Å; R369-T372 VanDerWaalsContact O-N 3.16Å; D370-T372 VanDerWaalsContact C-N 3.29Å; D370-T372 PolarHBondContact O-N 3.46Å; T372-I374 VanDerWaalsContact C-N 3.31Å; T372-I374 PolarHBondContact O-N 3.47Å; T372-L375 PolarHBondContact O-N 3.09Å; T372-L376 HydrophobicContact CG2-CD1 4.01Å; T372-L376 HydrophobicContact CG2-CG 4.26Å; T372-L376 WeakPolarHBondContact O-CG 3.32Å; T372-L376 PolarHBondContact O-N 3.32Å; T372-T395 HydrophobicContact CG2-CG2 3.88Å |
| 373 | N | 93.2 | Very high | 91.4 | Very high | 92 Ų | 92 | 75.7 Ų | 75.7 | 49% | 0.492 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62 | -36.8 | 176.5 | -72.9 | -34.2 | 0 | 0 | 0 | 112.5 | R369 D370 R377 | R369-N373 PolarHBondContact O-N 3.25Å; R369-N373 PolarHBondContact O-ND2 2.85Å; D370-N373 PolarHBondContact O-N 2.95Å; N373-R377 VanDerWaalsContact O-CG 3.31Å; N373-R377 WeakPolarHBondContact O-CG 3.44Å; N373-R377 PolarHBondContact O-N 2.92Å |
| 374 | I | 92.9 | Very high | 91.3 | Very high | 108 Ų | 108 | 68.8 Ų | 68.8 | 55% | 0.554 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -66.8 | -43.4 | 174 | -66.7 | 163.1 | 0 | 0 | 0 | 110.6 | D370 C371 T372 R377 | D370-I374 WeakPolarHBondContact O-CG1 3.36Å; D370-I374 PolarHBondContact O-N 2.86Å; C371-I374 PolarHBondContact O-N 3.45Å; T372-I374 VanDerWaalsContact C-N 3.31Å; T372-I374 PolarHBondContact O-N 3.47Å; I374-R377 PolarHBondContact O-N 3.46Å |
| 375 | L | 91.4 | Very high | 91.2 | Very high | 13 Ų | 13 | 65.7 Ų | 65.7 | 7% | 0.068 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.9 | -42.8 | 179.5 | -167.2 | 158.9 | 0 | 0 | 0 | 111.7 | I349 L367 C371 T372 R377 Q378 Q383 P386 I392 | I349-L375 HydrophobicContact CD1-CD1 4.27Å; L367-L375 HydrophobicContact CD1-CD1 3.99Å; C371-L375 WeakPolarHBondContact O-CB 3.35Å; C371-L375 PolarHBondContact O-N 3Å; T372-L375 PolarHBondContact O-N 3.09Å; L375-R377 PolarHBondContact O-N 2.95Å; L375-Q378 VanDerWaalsContact O-CB 3.28Å; L375-Q378 WeakPolarHBondContact O-CB 3.38Å; L375-Q378 PolarHBondContact O-N 3.49Å; L375-Q383 HydrophobicContact CD2-CB 4.17Å; L375-Q383 HydrophobicContact CD2-CG 4.43Å; L375-P386 HydrophobicContact CD1-CG 4.38Å; L375-I392 HydrophobicContact CD1-CD1 4.4Å; L375-I392 HydrophobicContact CD2-CD1 3.51Å |
| 376 | L | 90.2 | Very high | 91.2 | Very high | 60 Ų | 60 | 65.4 Ų | 65.4 | 31% | 0.314 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -70.9 | -13.3 | 177.3 | -66.2 | 177.9 | 0 | 0 | 0 | 114.2 | T372 Q378 Q383 I392 T395 | T372-L376 HydrophobicContact CG2-CD1 4.01Å; T372-L376 HydrophobicContact CG2-CG 4.26Å; T372-L376 WeakPolarHBondContact O-CG 3.32Å; T372-L376 PolarHBondContact O-N 3.32Å; L376-Q378 VanDerWaalsContact C-N 3.34Å; L376-Q383 PolarHBondContact O-NE2 3.32Å; L376-Q383 VanDerWaalsContact O-NE2 3.07Å; L376-I392 HydrophobicContact CD2-CG2 4.45Å; L376-T395 HydrophobicContact CD1-CG2 4.13Å |
| 377 | R | 91.2 | Very high | 91.1 | Very high | 223 Ų | 223 | 70 Ų | 70 | 84% | 0.842 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -14.5 | 168.9 | -76.3 | 173.6 | -178.7 | -164.1 | 2 | 113.2 | N373 I374 L375 | N373-R377 VanDerWaalsContact O-CG 3.31Å; N373-R377 WeakPolarHBondContact O-CG 3.44Å; N373-R377 PolarHBondContact O-N 2.92Å; I374-R377 PolarHBondContact O-N 3.46Å; L375-R377 PolarHBondContact O-N 2.95Å |
| 378 | Q | 88.1 | Confident | 91.1 | Very high | 81 Ų | 81 | 72.5 Ų | 72.5 | 38% | 0.379 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -73.5 | 153.9 | 174.2 | -62 | -177.8 | -5.1 | 0 | 0 | 110.1 | L375 L376 Q382 Q383 | L375-Q378 VanDerWaalsContact O-CB 3.28Å; L375-Q378 WeakPolarHBondContact O-CB 3.38Å; L375-Q378 PolarHBondContact O-N 3.49Å; L376-Q378 VanDerWaalsContact C-N 3.34Å; Q378-Q382 HydrophobicContact CB-CB 4.11Å; Q378-Q383 PolarHBondContact O-NE2 2.84Å |
| 379 | P | 85.5 | Confident | 91 | Very high | 58 Ų | 58 | 82.6 Ų | 82.6 | 38% | 0.377 | 39% | 0.391 | S | S | . | . | trans | -59.4 | 149.6 | 176.4 | 26.5 | -36.5 | 0 | 0 | 0 | 111.6 | Y381 Q382 | P379-Y381 HydrophobicContact CB-CD1 4.03Å; P379-Y381 HydrophobicContact CB-CE1 3.5Å; P379-Y381 VanDerWaalsContact CB-CE1 3.5Å; P379-Y381 HydrophobicContact CG-CD1 4.44Å; P379-Y381 HydrophobicContact CG-CE1 3.73Å; P379-Y381 HydrophobicContact CG-CE2 3.97Å; P379-Y381 VanDerWaalsContact CG-CZ 3.44Å; P379-Y381 WeakPolarHBondContact CG-OH 3.38Å; P379-Y381 PolarHBondContact O-N 2.86Å; P379-Q382 PolarHBondContact O-N 3.29Å | ||
| 380 | I | 82.3 | Confident | 91 | Very high | 121 Ų | 121 | 83 Ų | 83 | 62% | 0.621 | 40% | 0.398 | S | S | * | . | G | 310 helix | trans | -51.6 | -36.4 | -165.4 | -58.5 | 171 | 0 | 0 | 0 | 113.4 | Q382 Q383 M391 | I380-Q382 PolarHBondContact O-N 2.94Å; I380-Q383 WeakPolarHBondContact O-CB 3.37Å; I380-Q383 PolarHBondContact O-N 3.49Å; I380-Q383 VanDerWaalsContact O-N 3.13Å; I380-M391 HydrophobicContact CG2-SD 4.48Å |
| 381 | Y | 81.9 | Confident | 90.9 | Very high | 163 Ų | 163 | 81.9 Ų | 81.9 | 64% | 0.639 | 39% | 0.39 | S | S | * | . | G | 310 helix | trans | -67.8 | -16 | 179.4 | 58.6 | -97.8 | 0 | 0 | 0 | 114.8 | P379 N384 | P379-Y381 HydrophobicContact CB-CD1 4.03Å; P379-Y381 HydrophobicContact CB-CE1 3.5Å; P379-Y381 VanDerWaalsContact CB-CE1 3.5Å; P379-Y381 HydrophobicContact CG-CD1 4.44Å; P379-Y381 HydrophobicContact CG-CE1 3.73Å; P379-Y381 HydrophobicContact CG-CE2 3.97Å; P379-Y381 VanDerWaalsContact CG-CZ 3.44Å; P379-Y381 WeakPolarHBondContact CG-OH 3.38Å; P379-Y381 PolarHBondContact O-N 2.86Å; Y381-N384 PolarHBondContact O-ND2 3.05Å; Y381-N384 VanDerWaalsContact O-ND2 3.08Å |
| 382 | Q | 85.7 | Confident | 90.9 | Very high | 93 Ų | 93 | 81.8 Ų | 81.8 | 44% | 0.435 | 39% | 0.389 | S | S | . | . | G | 310 helix | trans | -96.6 | -6.9 | 174.3 | -78 | 168.5 | -6.9 | 0 | 0 | 113.2 | Q378 P379 I380 N384 | Q378-Q382 HydrophobicContact CB-CB 4.11Å; P379-Q382 PolarHBondContact O-N 3.29Å; I380-Q382 PolarHBondContact O-N 2.94Å; Q382-N384 PolarHBondContact O-N 3.42Å |
| 383 | Q | 91.6 | Very high | 90.7 | Very high | 30 Ų | 30 | 87.3 Ų | 87.3 | 14% | 0.14 | 42% | 0.417 | C | S | . | . | trans | -78.5 | 64 | -177 | -60.3 | -174.6 | 5.5 | 0 | 0 | 112.3 | L375 L376 Q378 I380 I392 | L375-Q383 HydrophobicContact CD2-CB 4.17Å; L375-Q383 HydrophobicContact CD2-CG 4.43Å; L376-Q383 PolarHBondContact O-NE2 3.32Å; L376-Q383 VanDerWaalsContact O-NE2 3.07Å; Q378-Q383 PolarHBondContact O-NE2 2.84Å; I380-Q383 WeakPolarHBondContact O-CB 3.37Å; I380-Q383 PolarHBondContact O-N 3.49Å; I380-Q383 VanDerWaalsContact O-N 3.13Å; Q383-I392 WeakPolarHBondContact O-CG1 3.47Å; Q383-I392 PolarHBondContact O-N 2.98Å | ||
| 384 | N | 93.4 | Very high | 90.6 | Very high | 57 Ų | 57 | 88.3 Ų | 88.3 | 31% | 0.305 | 42% | 0.423 | S | S | . | . | B | Isolated β-bridge | trans | -111.3 | 143.1 | -175.6 | -60.6 | -53 | 0 | 0 | 0 | 111.5 | Y381 Q382 P386 M391 | Y381-N384 PolarHBondContact O-ND2 3.05Å; Y381-N384 VanDerWaalsContact O-ND2 3.08Å; Q382-N384 PolarHBondContact O-N 3.42Å; N384-P386 WeakPolarHBondContact O-CD 3.37Å; N384-M391 WeakPolarHBondContact OD1-CA 3.45Å |
| 385 | C | 94.1 | Very high | 90.6 | Very high | 1 Ų | 1 | 85.9 Ų | 85.9 | 1% | 0.007 | 41% | 0.413 | C | S | . | . | trans | -63 | 124.9 | 177.2 | 173.8 | 0 | 0 | 0 | 0 | 111.1 | L359 C362 L387 C388 R389 Q390 I392 | L359-C385 HydrophobicContact CD1-CB 3.99Å; C362-C385 VanDerWaalsContact SG-SG 3.62Å; C385-L387 PolarHBondContact O-N 3.14Å; C385-L387 VanDerWaalsContact O-N 3.12Å; C385-C388 PolarHBondContact O-N 2.94Å; C385-R389 WeakPolarHBondContact O-CA 3.44Å; C385-R389 PolarHBondContact O-N 3.4Å; C385-Q390 WeakPolarHBondContact CB-O 3.23Å; C385-Q390 PolarHBondContact N-O 2.95Å; C385-I392 HydrophobicContact CB-CG1 4.5Å | ||
| 386 | P | 92.9 | Very high | 90.7 | Very high | 56 Ų | 56 | 90.3 Ų | 90.3 | 36% | 0.364 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -26.3 | -177.8 | -27.8 | 35.9 | 0 | 0 | 0 | 115.3 | V348 I349 L367 L375 N384 | V348-P386 HydrophobicContact CG2-CB 3.86Å; V348-P386 HydrophobicContact CG2-CG 4.25Å; I349-P386 HydrophobicContact CD1-CG 4.33Å; L367-P386 HydrophobicContact CD2-CG 4.25Å; L375-P386 HydrophobicContact CD1-CG 4.38Å; N384-P386 WeakPolarHBondContact O-CD 3.37Å |
| 387 | L | 92.6 | Very high | 90.8 | Very high | 97 Ų | 97 | 90.7 Ų | 90.7 | 51% | 0.508 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -45.4 | -178.7 | -64.7 | -173.8 | 0 | 0 | 0 | 113.5 | V348 H364 C366 C385 | V348-L387 HydrophobicContact CG1-CD2 4.42Å; H364-L387 HydrophobicContact CB-CD1 4.19Å; C366-L387 HydrophobicContact CB-CD1 3.7Å; C366-L387 HydrophobicContact CB-CG 3.87Å; C385-L387 PolarHBondContact O-N 3.14Å; C385-L387 VanDerWaalsContact O-N 3.12Å |
| 388 | C | 94.6 | Very high | 90.7 | Very high | 53 Ų | 53 | 82 Ų | 82 | 36% | 0.358 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.9 | -1.1 | -171.5 | 66.1 | 0 | 0 | 0 | 0 | 114.5 | C362 H364 C385 Q390 | C362-C388 VanDerWaalsContact CB-SG 3.51Å; H364-C388 PolarHBondContact ND1-SG 2.97Å; C385-C388 PolarHBondContact O-N 2.94Å; C388-Q390 PolarHBondContact O-N 2.91Å |
| 389 | R | 92.8 | Very high | 90.3 | Very high | 214 Ų | 214 | 87.2 Ų | 87.2 | 81% | 0.808 | 43% | 0.426 | S | S | * | . | trans | 59.8 | 6.3 | -178.7 | -52.4 | -177.6 | -177.9 | -166.6 | -0.4 | 115.8 | C385 | C385-R389 WeakPolarHBondContact O-CA 3.44Å; C385-R389 PolarHBondContact O-N 3.4Å | ||
| 390 | Q | 93.1 | Very high | 89.3 | Confident | 106 Ų | 106 | 93.9 Ų | 93.9 | 50% | 0.495 | 46% | 0.458 | S | S | . | . | P | Polyproline II helix | trans | -65.4 | 136.6 | 172.5 | -169.1 | 63.4 | 28.8 | 0 | 0 | 110.9 | P361 C362 C385 C388 | P361-Q390 HydrophobicContact CG-CG 4.38Å; C362-Q390 HydrophobicContact CB-CB 4.21Å; C362-Q390 HydrophobicContact CB-CG 4.5Å; C385-Q390 WeakPolarHBondContact CB-O 3.23Å; C385-Q390 PolarHBondContact N-O 2.95Å; C388-Q390 PolarHBondContact O-N 2.91Å |
| 391 | M | 92.7 | Very high | 89.6 | Confident | 77 Ų | 77 | 92.6 Ų | 92.6 | 38% | 0.379 | 45% | 0.449 | S | S | . | . | B | Isolated β-bridge | trans | -57.9 | 136.1 | 173.3 | -176 | 176.9 | -70.9 | 0 | 0 | 111.3 | I380 N384 | I380-M391 HydrophobicContact CG2-SD 4.48Å; N384-M391 WeakPolarHBondContact OD1-CA 3.45Å |
| 392 | I | 94.4 | Very high | 90 | Very high | 9 Ų | 9 | 88.8 Ų | 88.8 | 5% | 0.046 | 44% | 0.439 | C | S | . | . | P | Polyproline II helix | trans | -86 | 120.6 | 179.7 | -57.9 | 162.8 | 0 | 0 | 0 | 108 | L359 L375 L376 Q383 C385 T395 | L359-I392 HydrophobicContact CB-CG1 4.39Å; L359-I392 HydrophobicContact CD1-CD1 3.86Å; L359-I392 HydrophobicContact CD1-CG1 4.19Å; L359-I392 HydrophobicContact CD2-CD1 4.12Å; L359-I392 HydrophobicContact CD2-CG1 4.49Å; L359-I392 HydrophobicContact CD2-CG2 4.3Å; L359-I392 HydrophobicContact CG-CD1 4.48Å; L375-I392 HydrophobicContact CD1-CD1 4.4Å; L375-I392 HydrophobicContact CD2-CD1 3.51Å; L376-I392 HydrophobicContact CD2-CG2 4.45Å; Q383-I392 WeakPolarHBondContact O-CG1 3.47Å; Q383-I392 PolarHBondContact O-N 2.98Å; C385-I392 HydrophobicContact CB-CG1 4.5Å; I392-T395 HydrophobicContact CG2-CG2 3.8Å |
| 393 | L | 90.7 | Very high | 90.3 | Very high | 122 Ų | 122 | 88.6 Ų | 88.6 | 64% | 0.639 | 44% | 0.44 | S | S | * | . | trans | -99.6 | -31.4 | 177.6 | -61.5 | 179.6 | 0 | 0 | 0 | 112.4 | L360 P361 | L360-L393 PolarHBondContact O-N 3Å; P361-L393 HydrophobicContact CG-CD1 4.41Å | ||
| 394 | N | 89.8 | Confident | 90.2 | Very high | 113 Ų | 113 | 92.1 Ų | 92.1 | 60% | 0.604 | 46% | 0.457 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 162.2 | 179.2 | -89.6 | -42.5 | 0 | 0 | 0 | 109.7 | L360 | L360-N394 HydrophobicContact CB-CB 4.08Å; L360-N394 WeakPolarHBondContact CB-O 3.39Å; L360-N394 HydrophobicContact CD1-CB 3.97Å; L360-N394 PolarHBondContact N-O 2.95Å |
| 395 | T | 93.9 | Very high | 90 | Very high | 57 Ų | 57 | 94.3 Ų | 94.3 | 35% | 0.35 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 139.7 | 177.2 | 56.1 | 0 | 0 | 0 | 0 | 110.5 | V357 V358 L359 T372 L376 I392 | V357-T395 HydrophobicContact CG1-CG2 4.38Å; V358-T395 WeakPolarHBondContact O-CA 3.46Å; L359-T395 HydrophobicContact CD2-CG2 3.73Å; T372-T395 HydrophobicContact CG2-CG2 3.88Å; L376-T395 HydrophobicContact CD1-CG2 4.13Å; I392-T395 HydrophobicContact CG2-CG2 3.8Å |
| 396 | M | 93.1 | Very high | 89.7 | Confident | 106 Ų | 106 | 100.5 Ų | 100.5 | 52% | 0.522 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 127.2 | 177.7 | -170.3 | -176.7 | 81.6 | 0 | 0 | 110 | V358 V398 | V358-M396 PolarHBondContact N-O 2.98Å; V358-M396 PolarHBondContact O-N 2.94Å; M396-V398 HydrophobicContact CE-CG2 4.14Å |
| 397 | D | 92.3 | Very high | 89.5 | Confident | 68 Ų | 68 | 103.6 Ų | 103.6 | 36% | 0.364 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 140.2 | 174 | -75.9 | -57 | 0 | 0 | 0 | 111.8 | R369 | R369-D397 WeakPolarHBondContact CG-OD1 3.25Å; R369-D397 VanDerWaalsContact CZ-CG 3.48Å; R369-D397 IonicContact CZ-OD1 3.24Å; R369-D397 IonicContact CZ-OD2 3.51Å; R369-D397 VanDerWaalsContact CZ-OD2 3.24Å; R369-D397 IonicContact NE-OD1 2.66Å; R369-D397 PolarHBondContact NE-OD1 3.11Å; R369-D397 IonicContact NE-OD2 2.78Å; R369-D397 PolarHBondContact NE-OD2 3.01Å; R369-D397 IonicContact NH2-OD1 3.8Å; R369-D397 PolarHBondContact NH2-OD1 3.03Å; R369-D397 IonicContact NH2-OD2 3.44Å; R369-D397 PolarHBondContact NH2-OD2 3.34Å |
| 398 | V | 88.8 | Confident | 89.3 | Confident | 39 Ų | 39 | 104.2 Ų | 104.2 | 24% | 0.236 | 51% | 0.507 | C | S | . | . | trans | -122.4 | 129 | 173.1 | -178.7 | 0 | 0 | 0 | 0 | 108.3 | T356 V358 M396 L400 | T356-V398 PolarHBondContact O-N 3.48Å; V358-V398 HydrophobicContact CG2-CG2 3.58Å; M396-V398 HydrophobicContact CE-CG2 4.14Å; V398-L400 HydrophobicContact CG1-CD2 4.27Å; V398-L400 HydrophobicContact CG1-CG 4.18Å | ||
| 399 | Y | 80.3 | Confident | 88.8 | Confident | 191 Ų | 191 | 108.4 Ų | 108.4 | 75% | 0.749 | 52% | 0.52 | S | S | * | . | trans | -98.1 | 124.7 | 171.3 | -53.5 | -87 | 0 | 0 | 0 | 107.4 | R369 | R369-Y399 PolarHBondContact NH2-OH 2.95Š| ||
| 400 | L | 64.3 | Low | 88.5 | Confident | 199 Ų | 199 | 98.8 Ų | 98.8 | 100% | 1.042 | 49% | 0.493 | S | S | * | . | trans | -113.8 | 0 | -177.6 | -73.9 | 171.3 | 0 | 0 | 0 | 110.5 | V398 | V398-L400 HydrophobicContact CG1-CD2 4.27Å; V398-L400 HydrophobicContact CG1-CG 4.18Å |
Retrieved 400 of 400 residues in 215.2 ms
(Link to these results)