| 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 | 53.3 | Low | 59.1 | Low | 234 Ų | 234 | 130.5 Ų | 130.5 | 100% | 1.153 | 65% | 0.651 | S | S | * | * | 0 | 34.7 | 0 | -159.3 | 176.7 | -179.2 | 0 | 0 | 112.1 | |||||
| 2 | Q | 52.9 | Low | 58.6 | Low | 167 Ų | 167 | 130.7 Ų | 130.7 | 78% | 0.78 | 66% | 0.655 | S | S | * | * | trans | -107.4 | -13.4 | -177.8 | -114.9 | 169.1 | -16.9 | 0 | 0 | 113.2 | S4 | Q2-S4 VanDerWaalsContact C-N 3.33Å; Q2-S4 PolarHBondContact O-N 2.84Å | ||
| 3 | M | 55.3 | Low | 58.1 | Low | 164 Ų | 164 | 130.3 Ų | 130.3 | 81% | 0.808 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -75.4 | -20.3 | -178.9 | -131.2 | 177.5 | -72.2 | 0 | 0 | 113.2 | ||
| 4 | S | 69.1 | Low | 56.6 | Low | 77 Ų | 77 | 128.7 Ų | 128.7 | 54% | 0.538 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -77 | -25.6 | -176.2 | 170.9 | 0 | 0 | 0 | 0 | 113.8 | Q2 T8 | Q2-S4 VanDerWaalsContact C-N 3.33Å; Q2-S4 PolarHBondContact O-N 2.84Å; S4-T8 PolarHBondContact O-N 2.91Å; S4-T8 PolarHBondContact O-OG1 3.33Å |
| 5 | I | 66.4 | Low | 55.9 | Low | 119 Ų | 119 | 127.5 Ų | 127.5 | 61% | 0.61 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -75.3 | -35.4 | -178.9 | -62 | 175.8 | 0 | 0 | 0 | 111.2 | T8 A9 | I5-T8 WeakPolarHBondContact CA-OG1 3.03Å; I5-T8 PolarHBondContact O-N 2.85Å; I5-T8 PolarHBondContact O-OG1 3.38Å; I5-A9 PolarHBondContact O-N 2.69Å; I5-A9 VanDerWaalsContact O-N 3.13Å |
| 6 | Y | 59.3 | Low | 55.1 | Low | 187 Ų | 187 | 124.4 Ų | 124.4 | 73% | 0.733 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -71.1 | -39.9 | 178.1 | -83.3 | -81.3 | 0 | 0 | 0 | 112.2 | T8 A9 E10 | Y6-T8 VanDerWaalsContact C-N 3.33Å; Y6-T8 PolarHBondContact O-N 3.42Å; Y6-A9 PolarHBondContact O-N 3.25Å; Y6-E10 PolarHBondContact O-N 3.47Å |
| 7 | Q | 62.5 | Low | 54.2 | Low | 126 Ų | 126 | 125.2 Ų | 125.2 | 59% | 0.589 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -64.7 | -35.8 | 174.7 | -86.9 | 178.8 | -44.1 | 0 | 0 | 112.7 | E10 E11 | Q7-E10 PolarHBondContact O-N 3.3Å; Q7-E11 WeakPolarHBondContact O-CB 3.4Å; Q7-E11 WeakPolarHBondContact O-CG 3.48Å; Q7-E11 PolarHBondContact O-N 3.38Å |
| 8 | T | 64.1 | Low | 52.8 | Low | 67 Ų | 67 | 122.2 Ų | 122.2 | 41% | 0.411 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -69.9 | -32.7 | 175.1 | 23.1 | 0 | 0 | 0 | 0 | 112.5 | S4 I5 Y6 L12 | S4-T8 PolarHBondContact O-N 2.91Å; S4-T8 PolarHBondContact O-OG1 3.33Å; I5-T8 WeakPolarHBondContact CA-OG1 3.03Å; I5-T8 PolarHBondContact O-N 2.85Å; I5-T8 PolarHBondContact O-OG1 3.38Å; Y6-T8 VanDerWaalsContact C-N 3.33Å; Y6-T8 PolarHBondContact O-N 3.42Å; T8-L12 VanDerWaalsContact O-CB 3.3Å; T8-L12 WeakPolarHBondContact O-CB 3.27Å; T8-L12 WeakPolarHBondContact O-CD1 3.28Å; T8-L12 WeakPolarHBondContact O-CG 3.45Å; T8-L12 PolarHBondContact O-N 3.43Å |
| 9 | A | 58 | Low | 51.8 | Low | 45 Ų | 45 | 120.8 Ų | 120.8 | 37% | 0.372 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -69.3 | -38.3 | 173 | 0 | 0 | 0 | 0 | 0 | 112.2 | I5 Y6 M13 | I5-A9 PolarHBondContact O-N 2.69Å; I5-A9 VanDerWaalsContact O-N 3.13Å; Y6-A9 PolarHBondContact O-N 3.25Å; A9-M13 WeakPolarHBondContact O-CB 3.49Å; A9-M13 WeakPolarHBondContact O-CG 3.49Å; A9-M13 PolarHBondContact O-N 3.06Å |
| 10 | E | 56.3 | Low | 51.2 | Low | 122 Ų | 122 | 125.4 Ų | 125.4 | 57% | 0.57 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -71.1 | -38.6 | 176 | -122.9 | 175.4 | -179.5 | 0 | 0 | 112.3 | Y6 Q7 M13 N14 | Y6-E10 PolarHBondContact O-N 3.47Å; Q7-E10 PolarHBondContact O-N 3.3Å; E10-M13 PolarHBondContact O-N 2.97Å; E10-N14 WeakPolarHBondContact O-CB 3.3Å; E10-N14 PolarHBondContact O-N 3.16Å |
| 11 | E | 53.2 | Low | 50.8 | Low | 127 Ų | 127 | 122.5 Ų | 122.5 | 59% | 0.593 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -67.2 | -37.4 | 172.6 | -77.6 | -178.3 | 161.9 | 0 | 0 | 111.8 | Q7 M13 N14 V15 | Q7-E11 WeakPolarHBondContact O-CB 3.4Å; Q7-E11 WeakPolarHBondContact O-CG 3.48Å; Q7-E11 PolarHBondContact O-N 3.38Å; E11-M13 VanDerWaalsContact C-N 3.33Å; E11-M13 PolarHBondContact O-N 2.91Å; E11-N14 PolarHBondContact O-N 3.27Å; E11-V15 WeakPolarHBondContact O-CB 3.4Å; E11-V15 WeakPolarHBondContact O-CG2 3.41Å; E11-V15 PolarHBondContact O-N 2.89Å |
| 12 | L | 53.1 | Low | 50.5 | Low | 133 Ų | 133 | 115.7 Ų | 115.7 | 70% | 0.696 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -66.9 | -32.8 | 172.5 | -85.3 | 159.7 | 0 | 0 | 0 | 112.6 | T8 | T8-L12 VanDerWaalsContact O-CB 3.3Å; T8-L12 WeakPolarHBondContact O-CB 3.27Å; T8-L12 WeakPolarHBondContact O-CD1 3.28Å; T8-L12 WeakPolarHBondContact O-CG 3.45Å; T8-L12 PolarHBondContact O-N 3.43Å |
| 13 | M | 51.7 | Low | 50.4 | Low | 126 Ų | 126 | 112.6 Ų | 112.6 | 62% | 0.621 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -75 | -37.7 | 173.7 | -74.8 | -170.7 | -71.3 | 0 | 0 | 112.4 | A9 E10 E11 S16 | A9-M13 WeakPolarHBondContact O-CB 3.49Å; A9-M13 WeakPolarHBondContact O-CG 3.49Å; A9-M13 PolarHBondContact O-N 3.06Å; E10-M13 PolarHBondContact O-N 2.97Å; E11-M13 VanDerWaalsContact C-N 3.33Å; E11-M13 PolarHBondContact O-N 2.91Å; M13-S16 VanDerWaalsContact O-CB 3.29Å; M13-S16 WeakPolarHBondContact O-CB 3.31Å; M13-S16 PolarHBondContact O-N 3.06Å |
| 14 | N | 38 | Very low | 50.8 | Low | 108 Ų | 108 | 107.9 Ų | 107.9 | 58% | 0.578 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -77.2 | -28.7 | 178.2 | -79.6 | -15.3 | 0 | 0 | 0 | 113.5 | E10 E11 S16 D17 | E10-N14 WeakPolarHBondContact O-CB 3.3Å; E10-N14 PolarHBondContact O-N 3.16Å; E11-N14 PolarHBondContact O-N 3.27Å; N14-S16 PolarHBondContact O-N 3.35Å; N14-D17 PolarHBondContact O-N 3.41Å; N14-D17 VanDerWaalsContact O-N 3.13Å |
| 15 | V | 45.3 | Very low | 51.2 | Low | 111 Ų | 111 | 109.8 Ų | 109.8 | 67% | 0.673 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -66.6 | -23.9 | 170.9 | 170.7 | 0 | 0 | 0 | 0 | 110.9 | E11 D17 | E11-V15 WeakPolarHBondContact O-CB 3.4Å; E11-V15 WeakPolarHBondContact O-CG2 3.41Å; E11-V15 PolarHBondContact O-N 2.89Å; V15-D17 VanDerWaalsContact C-N 3.29Å; V15-D17 PolarHBondContact O-N 2.97Å |
| 16 | S | 44 | Very low | 52.2 | Low | 78 Ų | 78 | 104.7 Ų | 104.7 | 55% | 0.545 | 58% | 0.579 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70.5 | -20.6 | 172.2 | -169.2 | 0 | 0 | 0 | 0 | 113.8 | M13 N14 | M13-S16 VanDerWaalsContact O-CB 3.29Å; M13-S16 WeakPolarHBondContact O-CB 3.31Å; M13-S16 PolarHBondContact O-N 3.06Å; N14-S16 PolarHBondContact O-N 3.35Å |
| 17 | D | 38.9 | Very low | 53.6 | Low | 138 Ų | 138 | 98.4 Ų | 98.4 | 74% | 0.738 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | -16.1 | 179.5 | -88.9 | -15.4 | 0 | 0 | 0 | 113.2 | N14 V15 | N14-D17 PolarHBondContact O-N 3.41Å; N14-D17 VanDerWaalsContact O-N 3.13Å; V15-D17 VanDerWaalsContact C-N 3.29Å; V15-D17 PolarHBondContact O-N 2.97Å |
| 18 | G | 29.5 | Very low | 54.9 | Low | 71 Ų | 71 | 98.7 Ų | 98.7 | 73% | 0.732 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -83.6 | -21.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 19 | T | 34.3 | Very low | 56.3 | Low | 96 Ų | 96 | 102.1 Ų | 102.1 | 59% | 0.589 | 58% | 0.575 | S | S | * | * | trans | -105.5 | 103.3 | 169.6 | 43.8 | 0 | 0 | 0 | 0 | 107.6 | A21 | T19-A21 PolarHBondContact O-N 2.95Š| ||
| 20 | K | 38.8 | Very low | 57.9 | Low | 211 Ų | 211 | 103.1 Ų | 103.1 | 92% | 0.917 | 57% | 0.571 | S | S | * | * | trans | -57 | 80.7 | 147.5 | -70.1 | -179.8 | -179.6 | -179.9 | 0 | 105.8 | A22 | K20-A22 PolarHBondContact O-N 3.37Š| ||
| 21 | A | 42.3 | Very low | 59.6 | Low | 65 Ų | 65 | 100.2 Ų | 100.2 | 54% | 0.537 | 56% | 0.555 | S | S | . | * | trans | -52.5 | 115.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 103.9 | T19 H23 | T19-A21 PolarHBondContact O-N 2.95Å; A21-H23 VanDerWaalsContact C-N 3.27Å; A21-H23 PolarHBondContact O-N 3.04Å | ||
| 22 | A | 47.2 | Very low | 61.5 | Low | 92 Ų | 92 | 97.8 Ų | 97.8 | 76% | 0.76 | 55% | 0.547 | S | S | * | . | trans | -50.3 | 106.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 104.7 | K20 | K20-A22 PolarHBondContact O-N 3.37Š| ||
| 23 | H | 52.4 | Low | 63.5 | Low | 102 Ų | 102 | 95.8 Ų | 95.8 | 47% | 0.472 | 54% | 0.536 | S | S | . | . | trans | -55.5 | 133.9 | -179.8 | -79.5 | -69.5 | 0 | 0 | 0 | 105.4 | A21 H25 | A21-H23 VanDerWaalsContact C-N 3.27Å; A21-H23 PolarHBondContact O-N 3.04Å; H23-H25 PolarHBondContact O-CD2 3Å; H23-H25 PolarHBondContact O-N 3.08Å; H23-H25 PolarHBondContact O-NE2 2.97Å | ||
| 24 | P | 62.2 | Low | 65.6 | Low | 64 Ų | 64 | 90.3 Ų | 90.3 | 42% | 0.416 | 51% | 0.509 | S | S | . | . | trans | -61.1 | 110.7 | -177.6 | 27.2 | -35 | 0 | 0 | 0 | 106.9 | P269 | P24-P269 HydrophobicContact CB-CG 3.78Å; P24-P269 HydrophobicContact CG-CG 4.28Å; P24-P269 WeakPolarHBondContact O-CB 3.42Å; P24-P269 WeakPolarHBondContact O-CG 3.13Å | ||
| 25 | H | 78.9 | Confident | 68.2 | Low | 117 Ų | 117 | 85.7 Ų | 85.7 | 54% | 0.542 | 49% | 0.485 | S | S | . | . | P | Polyproline II helix | trans | -101 | 137 | -179.2 | -69.2 | -68.9 | 0 | 0 | 0 | 108.1 | H23 S27 | H23-H25 PolarHBondContact O-CD2 3Å; H23-H25 PolarHBondContact O-N 3.08Å; H23-H25 PolarHBondContact O-NE2 2.97Å; H25-S27 PolarHBondContact O-N 3.4Å |
| 26 | L | 85.7 | Confident | 70.6 | Confident | 13 Ų | 13 | 82 Ų | 82 | 7% | 0.068 | 47% | 0.47 | C | S | . | . | P | Polyproline II helix | trans | -58.7 | 135.5 | 167.3 | -68.3 | 172.5 | 0 | 0 | 0 | 109.5 | E30 R31 L34 H186 P269 L270 | L26-E30 HydrophobicContact CB-CB 4.36Å; L26-E30 HydrophobicContact CD2-CB 4.16Å; L26-R31 HydrophobicContact CB-CG 3.53Å; L26-R31 HydrophobicContact CD1-CG 4.11Å; L26-R31 HydrophobicContact CG-CG 4.49Å; L26-L34 HydrophobicContact CD1-CD1 3.89Å; L26-L34 HydrophobicContact CD2-CD1 4.2Å; L26-H186 WeakPolarHBondContact CD1-NE2 3.42Å; L26-P269 HydrophobicContact CD2-CB 4.22Å; L26-P269 HydrophobicContact CD2-CG 4.44Å; L26-P269 HydrophobicContact CG-CB 4.17Å; L26-L270 HydrophobicContact CD2-CB 3.96Å; L26-L270 HydrophobicContact CD2-CD1 4.13Å |
| 27 | S | 90.2 | Very high | 73 | Confident | 54 Ų | 54 | 82.4 Ų | 82.4 | 38% | 0.378 | 47% | 0.465 | S | S | . | . | P | Polyproline II helix | trans | -60.6 | 154 | 168.1 | 66.1 | 0 | 0 | 0 | 0 | 110.3 | H25 Q29 E30 R31 | H25-S27 PolarHBondContact O-N 3.4Å; S27-Q29 PolarHBondContact O-N 3.14Å; S27-E30 WeakPolarHBondContact CB-OE2 3.3Å; S27-E30 PolarHBondContact N-OE2 3.4Å; S27-E30 PolarHBondContact O-N 3.39Å; S27-E30 VanDerWaalsContact O-N 3.07Å; S27-E30 WeakPolarHBondContact OG-CB 3.37Å; S27-E30 WeakPolarHBondContact OG-CG 3.5Å; S27-E30 PolarHBondContact OG-N 3.48Å; S27-E30 PolarHBondContact OG-OE2 3.38Å; S27-R31 WeakPolarHBondContact O-CG 3.49Å; S27-R31 PolarHBondContact O-N 3.03Å |
| 28 | E | 89.3 | Confident | 75.6 | Confident | 132 Ų | 132 | 75.9 Ų | 75.9 | 62% | 0.617 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -55.2 | -38.1 | 177.8 | -178.4 | 175.6 | -178.5 | 0 | 0 | 112.3 | R31 N32 | E28-R31 PolarHBondContact O-N 2.86Å; E28-N32 WeakPolarHBondContact O-CB 3.02Å; E28-N32 VanDerWaalsContact O-CG 3.25Å; E28-N32 PolarHBondContact O-N 2.89Å; E28-N32 PolarHBondContact O-ND2 3.28Å |
| 29 | Q | 92.8 | Very high | 78.7 | Confident | 140 Ų | 140 | 74.5 Ų | 74.5 | 65% | 0.654 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -62.9 | -46.6 | 176.2 | -176.6 | 176.5 | -11.7 | 0 | 0 | 112 | S27 N32 I33 | S27-Q29 PolarHBondContact O-N 3.14Å; Q29-N32 PolarHBondContact O-N 2.96Å; Q29-I33 HydrophobicContact CG-CD1 3.9Å; Q29-I33 VanDerWaalsContact O-CG1 3.31Å; Q29-I33 WeakPolarHBondContact O-CG1 3.14Å; Q29-I33 PolarHBondContact O-N 3.24Å |
| 30 | E | 92.6 | Very high | 81.6 | Confident | 65 Ų | 65 | 73.8 Ų | 73.8 | 30% | 0.304 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.8 | -44.2 | 178 | -72.4 | 162.1 | 143.6 | 0 | 0 | 111.6 | L26 S27 N32 I33 L34 | L26-E30 HydrophobicContact CB-CB 4.36Å; L26-E30 HydrophobicContact CD2-CB 4.16Å; S27-E30 WeakPolarHBondContact CB-OE2 3.3Å; S27-E30 PolarHBondContact N-OE2 3.4Å; S27-E30 PolarHBondContact O-N 3.39Å; S27-E30 VanDerWaalsContact O-N 3.07Å; S27-E30 WeakPolarHBondContact OG-CB 3.37Å; S27-E30 WeakPolarHBondContact OG-CG 3.5Å; S27-E30 PolarHBondContact OG-N 3.48Å; S27-E30 PolarHBondContact OG-OE2 3.38Å; E30-N32 VanDerWaalsContact C-N 3.32Å; E30-N32 PolarHBondContact O-N 3.19Å; E30-I33 PolarHBondContact O-N 3.33Å; E30-L34 WeakPolarHBondContact O-CB 3.39Å; E30-L34 VanDerWaalsContact O-CG 3.27Å; E30-L34 WeakPolarHBondContact O-CG 3.25Å; E30-L34 PolarHBondContact O-N 3.06Å |
| 31 | R | 92 | Very high | 84.2 | Confident | 61 Ų | 61 | 64.6 Ų | 64.6 | 23% | 0.23 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -58.1 | -44.7 | 175.8 | -64.1 | -175.9 | -45.7 | -177.6 | 4.1 | 111.8 | L26 S27 E28 S35 V93 R94 F95 | L26-R31 HydrophobicContact CB-CG 3.53Å; L26-R31 HydrophobicContact CD1-CG 4.11Å; L26-R31 HydrophobicContact CG-CG 4.49Å; S27-R31 WeakPolarHBondContact O-CG 3.49Å; S27-R31 PolarHBondContact O-N 3.03Å; E28-R31 PolarHBondContact O-N 2.86Å; R31-S35 WeakPolarHBondContact O-CB 3.44Å; R31-S35 PolarHBondContact O-N 3.14Å; R31-S35 PolarHBondContact O-OG 3.1Å; R31-V93 WeakPolarHBondContact CB-O 3.35Å; R31-V93 WeakPolarHBondContact CD-O 3.3Å; R31-V93 WeakPolarHBondContact CG-O 3.11Å; R31-R94 PolarHBondContact NE-O 3.1Å; R31-F95 PolarHBondContact NH1-O 3.48Å |
| 32 | N | 93.2 | Very high | 86.6 | Confident | 77 Ų | 77 | 61.9 Ų | 61.9 | 41% | 0.412 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.3 | -41.4 | 179.6 | -74 | -24.8 | 0 | 0 | 0 | 111.8 | E28 Q29 E30 S35 G36 | E28-N32 WeakPolarHBondContact O-CB 3.02Å; E28-N32 VanDerWaalsContact O-CG 3.25Å; E28-N32 PolarHBondContact O-N 2.89Å; E28-N32 PolarHBondContact O-ND2 3.28Å; Q29-N32 PolarHBondContact O-N 2.96Å; E30-N32 VanDerWaalsContact C-N 3.32Å; E30-N32 PolarHBondContact O-N 3.19Å; N32-S35 PolarHBondContact O-OG 3.14Å; N32-G36 PolarHBondContact O-N 3.35Å |
| 33 | I | 95 | Very high | 88.9 | Confident | 91 Ų | 91 | 60.2 Ų | 60.2 | 47% | 0.467 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -66.3 | -50.7 | 176.9 | -67.7 | 167.9 | 0 | 0 | 0 | 110.6 | Q29 E30 G36 L37 | Q29-I33 HydrophobicContact CG-CD1 3.9Å; Q29-I33 VanDerWaalsContact O-CG1 3.31Å; Q29-I33 WeakPolarHBondContact O-CG1 3.14Å; Q29-I33 PolarHBondContact O-N 3.24Å; E30-I33 PolarHBondContact O-N 3.33Å; I33-G36 PolarHBondContact O-N 2.72Å; I33-L37 HydrophobicContact CG2-CD1 4.05Å; I33-L37 HydrophobicContact CG2-CG 4.46Å; I33-L37 WeakPolarHBondContact O-CG 3.17Å; I33-L37 PolarHBondContact O-N 3.45Å |
| 34 | L | 94.2 | Very high | 91 | Very high | 10 Ų | 10 | 59.6 Ų | 59.6 | 5% | 0.052 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.4 | -44.8 | -177.9 | -70.6 | 169.5 | 0 | 0 | 0 | 111.9 | L26 E30 G36 L37 L38 V93 L270 T273 V274 | L26-L34 HydrophobicContact CD1-CD1 3.89Å; L26-L34 HydrophobicContact CD2-CD1 4.2Å; E30-L34 WeakPolarHBondContact O-CB 3.39Å; E30-L34 VanDerWaalsContact O-CG 3.27Å; E30-L34 WeakPolarHBondContact O-CG 3.25Å; E30-L34 PolarHBondContact O-N 3.06Å; L34-G36 VanDerWaalsContact C-N 3.32Å; L34-G36 PolarHBondContact O-N 3.37Å; L34-L37 PolarHBondContact O-N 2.96Å; L34-L38 WeakPolarHBondContact O-CB 3.47Å; L34-L38 WeakPolarHBondContact O-CG 3.42Å; L34-L38 PolarHBondContact O-N 3.42Å; L34-V93 HydrophobicContact CB-CG1 3.9Å; L34-L270 HydrophobicContact CD1-CD1 3.89Å; L34-T273 HydrophobicContact CD1-CG2 4Å; L34-V274 HydrophobicContact CD2-CG2 3.73Å |
| 35 | S | 93.6 | Very high | 92.5 | Very high | 12 Ų | 12 | 56.6 Ų | 56.6 | 8% | 0.084 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.6 | -37.6 | 176.4 | 59.8 | 0 | 0 | 0 | 0 | 112 | R31 N32 L38 A39 | R31-S35 WeakPolarHBondContact O-CB 3.44Å; R31-S35 PolarHBondContact O-N 3.14Å; R31-S35 PolarHBondContact O-OG 3.1Å; N32-S35 PolarHBondContact O-OG 3.14Å; S35-L38 PolarHBondContact O-N 3.36Å; S35-A39 VanDerWaalsContact O-CB 3.27Å; S35-A39 WeakPolarHBondContact O-CB 3.27Å; S35-A39 PolarHBondContact O-N 3.28Å |
| 36 | G | 94.9 | Very high | 93.3 | Very high | 34 Ų | 34 | 53.9 Ų | 53.9 | 35% | 0.351 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64 | -44.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | N32 I33 L34 A39 T40 | N32-G36 PolarHBondContact O-N 3.35Å; I33-G36 PolarHBondContact O-N 2.72Å; L34-G36 VanDerWaalsContact C-N 3.32Å; L34-G36 PolarHBondContact O-N 3.37Å; G36-A39 PolarHBondContact O-N 3.42Å; G36-T40 WeakPolarHBondContact O-CG2 3.18Å; G36-T40 PolarHBondContact O-N 3.08Å; G36-T40 PolarHBondContact O-OG1 3.25Å; G36-T40 VanDerWaalsContact O-OG1 3.09Å |
| 37 | L | 95 | Very high | 93.8 | Very high | 86 Ų | 86 | 58.1 Ų | 58.1 | 45% | 0.45 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64.3 | -42.7 | 175.3 | -69.7 | 176.1 | 0 | 0 | 0 | 111.8 | I33 L34 T40 S41 M277 | I33-L37 HydrophobicContact CG2-CD1 4.05Å; I33-L37 HydrophobicContact CG2-CG 4.46Å; I33-L37 WeakPolarHBondContact O-CG 3.17Å; I33-L37 PolarHBondContact O-N 3.45Å; L34-L37 PolarHBondContact O-N 2.96Å; L37-T40 WeakPolarHBondContact CA-OG1 3.15Å; L37-T40 PolarHBondContact O-N 3.15Å; L37-T40 PolarHBondContact O-OG1 2.97Å; L37-S41 WeakPolarHBondContact O-CB 3.32Å; L37-S41 PolarHBondContact O-N 3.15Å; L37-S41 PolarHBondContact O-OG 3.1Å; L37-M277 HydrophobicContact CB-SD 4.36Å |
| 38 | L | 93.2 | Very high | 94 | Very high | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.005 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.9 | -46.9 | 174.1 | -81.1 | 165.6 | 0 | 0 | 0 | 111.3 | L34 S35 T40 S41 A42 F89 I90 V93 M277 | L34-L38 WeakPolarHBondContact O-CB 3.47Å; L34-L38 WeakPolarHBondContact O-CG 3.42Å; L34-L38 PolarHBondContact O-N 3.42Å; S35-L38 PolarHBondContact O-N 3.36Å; L38-T40 PolarHBondContact O-N 3.17Å; L38-S41 PolarHBondContact O-N 3.18Å; L38-S41 PolarHBondContact O-OG 3.24Å; L38-A42 WeakPolarHBondContact O-CB 3.39Å; L38-A42 PolarHBondContact O-N 3.06Å; L38-F89 HydrophobicContact CD1-CD1 3.88Å; L38-F89 HydrophobicContact CD1-CE1 3.71Å; L38-F89 HydrophobicContact CD1-CG 4.42Å; L38-F89 HydrophobicContact CD1-CZ 4.11Å; L38-F89 HydrophobicContact CD2-CD1 3.75Å; L38-F89 HydrophobicContact CD2-CE1 3.65Å; L38-F89 HydrophobicContact CG-CD1 4.5Å; L38-F89 HydrophobicContact CG-CE1 4.35Å; L38-I90 HydrophobicContact CB-CD1 4.31Å; L38-I90 HydrophobicContact CB-CG1 3.58Å; L38-V93 HydrophobicContact CD1-CB 4.49Å; L38-V93 HydrophobicContact CD1-CG2 4.09Å; L38-M277 HydrophobicContact CD2-CB 3.88Å; L38-M277 HydrophobicContact CD2-CG 3.47Å; L38-M277 VanDerWaalsContact CD2-CG 3.47Å; L38-M277 HydrophobicContact CD2-SD 3.95Å; L38-M277 HydrophobicContact CG-CB 4.47Å; L38-M277 HydrophobicContact CG-CG 4.02Å; L38-M277 HydrophobicContact CG-SD 3.81Å |
| 39 | A | 94.8 | Very high | 94.3 | Very high | 42 Ų | 42 | 50.7 Ų | 50.7 | 35% | 0.347 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.2 | -44.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | S35 G36 A42 A43 I90 | S35-A39 VanDerWaalsContact O-CB 3.27Å; S35-A39 WeakPolarHBondContact O-CB 3.27Å; S35-A39 PolarHBondContact O-N 3.28Å; G36-A39 PolarHBondContact O-N 3.42Å; A39-A42 PolarHBondContact O-N 3.43Å; A39-A43 WeakPolarHBondContact O-CB 3.45Å; A39-A43 PolarHBondContact O-N 3.36Å; A39-I90 HydrophobicContact CB-CD1 4.04Å |
| 40 | T | 95 | Very high | 94.5 | Very high | 80 Ų | 80 | 48 Ų | 48 | 49% | 0.491 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64 | -44.4 | 176 | 51.9 | 0 | 0 | 0 | 0 | 111.5 | G36 L37 L38 A42 A43 I44 | G36-T40 WeakPolarHBondContact O-CG2 3.18Å; G36-T40 PolarHBondContact O-N 3.08Å; G36-T40 PolarHBondContact O-OG1 3.25Å; G36-T40 VanDerWaalsContact O-OG1 3.09Å; L37-T40 WeakPolarHBondContact CA-OG1 3.15Å; L37-T40 PolarHBondContact O-N 3.15Å; L37-T40 PolarHBondContact O-OG1 2.97Å; L38-T40 PolarHBondContact O-N 3.17Å; T40-A42 VanDerWaalsContact C-N 3.33Å; T40-A42 PolarHBondContact O-N 2.93Å; T40-A43 PolarHBondContact O-N 3.24Å; T40-I44 VanDerWaalsContact O-CG1 3.32Å; T40-I44 WeakPolarHBondContact O-CG1 3.35Å; T40-I44 PolarHBondContact O-N 3.28Å |
| 41 | S | 93 | Very high | 94.6 | Very high | 18 Ų | 18 | 50 Ų | 50 | 13% | 0.126 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.8 | -36.6 | 176.8 | 77.8 | 0 | 0 | 0 | 0 | 112.9 | L37 L38 G45 Q281 | L37-S41 WeakPolarHBondContact O-CB 3.32Å; L37-S41 PolarHBondContact O-N 3.15Å; L37-S41 PolarHBondContact O-OG 3.1Å; L38-S41 PolarHBondContact O-N 3.18Å; L38-S41 PolarHBondContact O-OG 3.24Å; S41-G45 PolarHBondContact O-N 3.42Å; S41-Q281 VanDerWaalsContact CB-NE2 3.31Å; S41-Q281 PolarHBondContact OG-NE2 2.98Å |
| 42 | A | 93.6 | Very high | 94.7 | Very high | 8 Ų | 8 | 47.7 Ų | 47.7 | 7% | 0.066 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.1 | -45.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | L38 A39 T40 G45 I46 T86 I90 | L38-A42 WeakPolarHBondContact O-CB 3.39Å; L38-A42 PolarHBondContact O-N 3.06Å; A39-A42 PolarHBondContact O-N 3.43Å; T40-A42 VanDerWaalsContact C-N 3.33Å; T40-A42 PolarHBondContact O-N 2.93Å; A42-G45 PolarHBondContact O-N 2.8Å; A42-I46 WeakPolarHBondContact O-CG1 3.32Å; A42-I46 PolarHBondContact O-N 3.48Å; A42-T86 HydrophobicContact CB-CG2 3.6Å; A42-I90 HydrophobicContact CB-CD1 4.25Å |
| 43 | A | 95.6 | Very high | 94.7 | Very high | 58 Ų | 58 | 44.3 Ų | 44.3 | 48% | 0.479 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.9 | -44.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | A39 T40 G45 I46 L47 | A39-A43 WeakPolarHBondContact O-CB 3.45Å; A39-A43 PolarHBondContact O-N 3.36Å; T40-A43 PolarHBondContact O-N 3.24Å; A43-G45 VanDerWaalsContact C-N 3.34Å; A43-I46 PolarHBondContact O-N 3.03Å; A43-L47 WeakPolarHBondContact O-CB 3.46Å; A43-L47 PolarHBondContact O-N 3.34Å |
| 44 | I | 95.4 | Very high | 94.7 | Very high | 89 Ų | 89 | 43.7 Ų | 43.7 | 46% | 0.456 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.3 | -45.2 | 173.5 | -66.4 | 166.9 | 0 | 0 | 0 | 110.1 | T40 L47 V48 T284 | T40-I44 VanDerWaalsContact O-CG1 3.32Å; T40-I44 WeakPolarHBondContact O-CG1 3.35Å; T40-I44 PolarHBondContact O-N 3.28Å; I44-L47 PolarHBondContact O-N 3.05Å; I44-V48 HydrophobicContact CG2-CG2 4.14Å; I44-V48 WeakPolarHBondContact O-CB 3.41Å; I44-V48 VanDerWaalsContact O-CG2 3.31Å; I44-V48 WeakPolarHBondContact O-CG2 3.2Å; I44-V48 PolarHBondContact O-N 3.43Å; I44-T284 HydrophobicContact CG2-CG2 4.19Å |
| 45 | G | 94.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -55.9 | -51.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | S41 A42 A43 L47 V48 N49 T284 | S41-G45 PolarHBondContact O-N 3.42Å; A42-G45 PolarHBondContact O-N 2.8Å; A43-G45 VanDerWaalsContact C-N 3.34Å; G45-L47 PolarHBondContact O-N 3.04Å; G45-V48 PolarHBondContact O-N 2.97Å; G45-N49 VanDerWaalsContact O-CB 3.29Å; G45-N49 WeakPolarHBondContact O-CB 3.13Å; G45-N49 PolarHBondContact O-N 3.08Å; G45-N49 PolarHBondContact O-ND2 2.98Å; G45-T284 VanDerWaalsContact CA-OG1 3.25Å; G45-T284 WeakPolarHBondContact CA-OG1 2.97Å |
| 46 | I | 95.7 | Very high | 94.6 | Very high | 61 Ų | 61 | 45.9 Ų | 45.9 | 31% | 0.313 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -58.1 | -50.3 | 176.8 | -66.9 | 168.2 | 0 | 0 | 0 | 110.1 | A42 A43 V48 N49 L50 C82 | A42-I46 WeakPolarHBondContact O-CG1 3.32Å; A42-I46 PolarHBondContact O-N 3.48Å; A43-I46 PolarHBondContact O-N 3.03Å; I46-V48 PolarHBondContact O-N 3.18Å; I46-N49 PolarHBondContact O-N 3.21Å; I46-L50 WeakPolarHBondContact O-CB 3.35Å; I46-L50 PolarHBondContact O-N 3.02Å; I46-C82 HydrophobicContact CD1-CB 4.38Å; I46-C82 HydrophobicContact CG1-CB 3.53Å |
| 47 | L | 96.3 | Very high | 94.4 | Very high | 101 Ų | 101 | 48.7 Ų | 48.7 | 53% | 0.529 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.2 | -49.5 | -176.9 | -177.6 | 67.3 | 0 | 0 | 0 | 111.5 | A43 I44 G45 L50 L51 | A43-L47 WeakPolarHBondContact O-CB 3.46Å; A43-L47 PolarHBondContact O-N 3.34Å; I44-L47 PolarHBondContact O-N 3.05Å; G45-L47 PolarHBondContact O-N 3.04Å; L47-L50 PolarHBondContact O-N 3.26Å; L47-L51 HydrophobicContact CD1-CD1 4.14Å; L47-L51 HydrophobicContact CD1-CG 4.29Å; L47-L51 HydrophobicContact CG-CD1 3.92Å; L47-L51 HydrophobicContact CG-CG 4.43Å; L47-L51 WeakPolarHBondContact O-CB 3.38Å; L47-L51 WeakPolarHBondContact O-CG 3.32Å; L47-L51 PolarHBondContact O-N 3.24Å |
| 48 | V | 95.3 | Very high | 94.3 | Very high | 30 Ų | 30 | 48.2 Ų | 48.2 | 18% | 0.182 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.7 | -47.5 | -178.9 | 173.5 | 0 | 0 | 0 | 0 | 111.1 | I44 G45 I46 L50 L51 V52 I288 | I44-V48 HydrophobicContact CG2-CG2 4.14Å; I44-V48 WeakPolarHBondContact O-CB 3.41Å; I44-V48 VanDerWaalsContact O-CG2 3.31Å; I44-V48 WeakPolarHBondContact O-CG2 3.2Å; I44-V48 PolarHBondContact O-N 3.43Å; G45-V48 PolarHBondContact O-N 2.97Å; I46-V48 PolarHBondContact O-N 3.18Å; V48-L50 VanDerWaalsContact C-N 3.29Å; V48-L50 PolarHBondContact O-N 2.98Å; V48-L51 PolarHBondContact O-N 3.17Å; V48-V52 HydrophobicContact CG1-CG2 4.34Å; V48-V52 WeakPolarHBondContact O-CG2 3.36Å; V48-V52 PolarHBondContact O-N 3.36Å; V48-I288 HydrophobicContact CB-CG1 4.37Å; V48-I288 HydrophobicContact CG1-CG1 3.76Å; V48-I288 HydrophobicContact CG2-CG1 4.04Å |
| 49 | N | 95.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.3 | -38.6 | 179.3 | -80.7 | -82.5 | 0 | 0 | 0 | 111.9 | G45 I46 T53 G75 I79 N283 S287 | G45-N49 VanDerWaalsContact O-CB 3.29Å; G45-N49 WeakPolarHBondContact O-CB 3.13Å; G45-N49 PolarHBondContact O-N 3.08Å; G45-N49 PolarHBondContact O-ND2 2.98Å; I46-N49 PolarHBondContact O-N 3.21Å; N49-T53 VanDerWaalsContact O-CB 3.25Å; N49-T53 WeakPolarHBondContact O-CB 3.16Å; N49-T53 PolarHBondContact O-N 3Å; N49-T53 PolarHBondContact O-OG1 3.19Å; N49-G75 WeakPolarHBondContact OD1-CA 3.35Å; N49-G75 PolarHBondContact OD1-O 2.92Å; N49-I79 HydrophobicContact CB-CG1 3.69Å; N49-N283 PolarHBondContact ND2-O 3.02Å; N49-N283 VanDerWaalsContact ND2-O 3.14Å; N49-S287 WeakPolarHBondContact OD1-CB 3.28Å; N49-S287 PolarHBondContact OD1-OG 3.1Å |
| 50 | L | 96 | Very high | 93.9 | Very high | 85 Ų | 85 | 60.9 Ų | 60.9 | 45% | 0.445 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -66.1 | -48.5 | 175.4 | -176 | 66 | 0 | 0 | 0 | 111.3 | I46 L47 V48 V52 T53 V54 I79 | I46-L50 WeakPolarHBondContact O-CB 3.35Å; I46-L50 PolarHBondContact O-N 3.02Å; L47-L50 PolarHBondContact O-N 3.26Å; V48-L50 VanDerWaalsContact C-N 3.29Å; V48-L50 PolarHBondContact O-N 2.98Å; L50-V52 PolarHBondContact O-N 3.25Å; L50-T53 PolarHBondContact O-N 3.49Å; L50-V54 HydrophobicContact CD1-CG2 3.98Å; L50-V54 HydrophobicContact CG-CG2 4.25Å; L50-V54 VanDerWaalsContact O-CB 3.31Å; L50-V54 WeakPolarHBondContact O-CB 3.31Å; L50-V54 VanDerWaalsContact O-CG2 3.25Å; L50-V54 WeakPolarHBondContact O-CG2 3.3Å; L50-V54 PolarHBondContact O-N 2.64Å; L50-I79 HydrophobicContact CB-CD1 4.39Å; L50-I79 HydrophobicContact CD1-CD1 4.23Å |
| 51 | L | 95.4 | Very high | 93.4 | Very high | 106 Ų | 106 | 58.6 Ų | 58.6 | 56% | 0.555 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -59.6 | -46.2 | 179.6 | -74.7 | 173.5 | 0 | 0 | 0 | 111.7 | L47 V48 Y55 | L47-L51 HydrophobicContact CD1-CD1 4.14Å; L47-L51 HydrophobicContact CD1-CG 4.29Å; L47-L51 HydrophobicContact CG-CD1 3.92Å; L47-L51 HydrophobicContact CG-CG 4.43Å; L47-L51 WeakPolarHBondContact O-CB 3.38Å; L47-L51 WeakPolarHBondContact O-CG 3.32Å; L47-L51 PolarHBondContact O-N 3.24Å; V48-L51 PolarHBondContact O-N 3.17Å; L51-Y55 WeakPolarHBondContact O-CB 3.25Å; L51-Y55 PolarHBondContact O-N 3.18Å |
| 52 | V | 93.2 | Very high | 92.8 | Very high | 12 Ų | 12 | 60.8 Ų | 60.8 | 7% | 0.073 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.6 | -48 | 178.1 | 171.8 | 0 | 0 | 0 | 0 | 110.9 | V48 L50 Y55 I56 I71 L294 | V48-V52 HydrophobicContact CG1-CG2 4.34Å; V48-V52 WeakPolarHBondContact O-CG2 3.36Å; V48-V52 PolarHBondContact O-N 3.36Å; L50-V52 PolarHBondContact O-N 3.25Å; V52-Y55 PolarHBondContact O-N 2.87Å; V52-I56 HydrophobicContact CG1-CD1 3.83Å; V52-I56 VanDerWaalsContact O-CG1 3.32Å; V52-I56 WeakPolarHBondContact O-CG1 3.35Å; V52-I56 PolarHBondContact O-N 3.33Å; V52-I71 HydrophobicContact CG1-CG2 3.95Å; V52-L294 HydrophobicContact CG1-CD1 4.2Å |
| 53 | T | 94.1 | Very high | 92.2 | Very high | 6 Ų | 6 | 68.8 Ų | 68.8 | 4% | 0.037 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59.8 | -50.9 | 178.6 | -59.4 | 0 | 0 | 0 | 0 | 111.3 | N49 L50 Y55 I56 L57 L76 | N49-T53 VanDerWaalsContact O-CB 3.25Å; N49-T53 WeakPolarHBondContact O-CB 3.16Å; N49-T53 PolarHBondContact O-N 3Å; N49-T53 PolarHBondContact O-OG1 3.19Å; L50-T53 PolarHBondContact O-N 3.49Å; T53-Y55 VanDerWaalsContact C-N 3.32Å; T53-Y55 PolarHBondContact O-N 2.73Å; T53-I56 PolarHBondContact O-N 3.4Å; T53-L57 HydrophobicContact CG2-CD1 3.91Å; T53-L57 HydrophobicContact CG2-CG 4.49Å; T53-L57 VanDerWaalsContact O-CG 3.3Å; T53-L57 WeakPolarHBondContact O-CG 3.25Å; T53-L57 PolarHBondContact O-N 2.87Å; T53-L76 HydrophobicContact CG2-CD2 3.9Å; T53-L76 HydrophobicContact CG2-CG 4.1Å |
| 54 | V | 94.8 | Very high | 91.4 | Very high | 78 Ų | 78 | 71.8 Ų | 71.8 | 47% | 0.473 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61.8 | -41.8 | 178.7 | 170.5 | 0 | 0 | 0 | 0 | 110.8 | L50 L57 A58 | L50-V54 HydrophobicContact CD1-CG2 3.98Å; L50-V54 HydrophobicContact CG-CG2 4.25Å; L50-V54 VanDerWaalsContact O-CB 3.31Å; L50-V54 WeakPolarHBondContact O-CB 3.31Å; L50-V54 VanDerWaalsContact O-CG2 3.25Å; L50-V54 WeakPolarHBondContact O-CG2 3.3Å; L50-V54 PolarHBondContact O-N 2.64Å; V54-L57 PolarHBondContact O-N 2.94Å; V54-A58 WeakPolarHBondContact O-CB 3.46Å; V54-A58 PolarHBondContact O-N 2.85Å |
| 55 | Y | 93.2 | Very high | 90.8 | Very high | 68 Ų | 68 | 71.6 Ų | 71.6 | 27% | 0.267 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -59.9 | -48 | 178 | 179.6 | -106.6 | 0 | 0 | 0 | 112 | L51 V52 T53 L57 R59 L61 L294 K298 | L51-Y55 WeakPolarHBondContact O-CB 3.25Å; L51-Y55 PolarHBondContact O-N 3.18Å; V52-Y55 PolarHBondContact O-N 2.87Å; T53-Y55 VanDerWaalsContact C-N 3.32Å; T53-Y55 PolarHBondContact O-N 2.73Å; Y55-L57 PolarHBondContact O-N 3.46Å; Y55-R59 HydrophobicContact CD2-CG 4.16Å; Y55-R59 HydrophobicContact CE2-CG 3.93Å; Y55-R59 VanDerWaalsContact O-CB 3.3Å; Y55-R59 WeakPolarHBondContact O-CB 3.48Å; Y55-R59 WeakPolarHBondContact O-CG 3.4Å; Y55-R59 PolarHBondContact O-N 3.3Å; Y55-L61 HydrophobicContact CD1-CD1 3.86Å; Y55-L61 HydrophobicContact CE1-CD1 3.52Å; Y55-L294 HydrophobicContact CE1-CB 4.5Å; Y55-K298 VanDerWaalsContact OH-CD 3.25Å; Y55-K298 WeakPolarHBondContact OH-CD 3.11Å |
| 56 | I | 91.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 73.8 Ų | 73.8 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61.5 | -44.6 | 178.2 | -67.2 | 165.5 | 0 | 0 | 0 | 111.2 | V52 T53 R60 L61 N68 I71 A72 L294 | V52-I56 HydrophobicContact CG1-CD1 3.83Å; V52-I56 VanDerWaalsContact O-CG1 3.32Å; V52-I56 WeakPolarHBondContact O-CG1 3.35Å; V52-I56 PolarHBondContact O-N 3.33Å; T53-I56 PolarHBondContact O-N 3.4Å; I56-R60 WeakPolarHBondContact O-CA 3.33Å; I56-R60 PolarHBondContact O-N 3.14Å; I56-L61 HydrophobicContact CG1-CD1 4.41Å; I56-L61 HydrophobicContact CG2-CB 4.36Å; I56-L61 PolarHBondContact O-N 2.83Å; I56-N68 HydrophobicContact CG2-CB 4.08Å; I56-I71 HydrophobicContact CD1-CB 4.01Å; I56-I71 HydrophobicContact CD1-CG2 3.66Å; I56-A72 HydrophobicContact CB-CB 4.41Å; I56-A72 HydrophobicContact CD1-CB 4.09Å; I56-A72 HydrophobicContact CG2-CB 3.98Å; I56-L294 HydrophobicContact CD1-CD1 3.83Å; I56-L294 HydrophobicContact CG1-CD1 3.8Å |
| 57 | L | 92.2 | Very high | 90.2 | Very high | 94 Ų | 94 | 71.1 Ų | 71.1 | 49% | 0.492 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -69.7 | -49.6 | -178.5 | -68 | 176.3 | 0 | 0 | 0 | 112.1 | T53 V54 Y55 R59 R60 | T53-L57 HydrophobicContact CG2-CD1 3.91Å; T53-L57 HydrophobicContact CG2-CG 4.49Å; T53-L57 VanDerWaalsContact O-CG 3.3Å; T53-L57 WeakPolarHBondContact O-CG 3.25Å; T53-L57 PolarHBondContact O-N 2.87Å; V54-L57 PolarHBondContact O-N 2.94Å; Y55-L57 PolarHBondContact O-N 3.46Å; L57-R59 VanDerWaalsContact C-N 3.34Å; L57-R59 PolarHBondContact O-N 2.99Å; L57-R60 PolarHBondContact O-N 3.17Å |
| 58 | A | 92.4 | Very high | 89.9 | Confident | 76 Ų | 76 | 66.5 Ų | 66.5 | 63% | 0.628 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -63.9 | -39.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | V54 R60 | V54-A58 WeakPolarHBondContact O-CB 3.46Å; V54-A58 PolarHBondContact O-N 2.85Å; A58-R60 VanDerWaalsContact C-N 3.28Å |
| 59 | R | 90.2 | Very high | 89.7 | Confident | 165 Ų | 165 | 66.9 Ų | 66.9 | 62% | 0.623 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | -1.3 | 175.7 | -64.6 | -65.2 | -174.9 | 173 | -1.8 | 113.4 | Y55 L57 L61 | Y55-R59 HydrophobicContact CD2-CG 4.16Å; Y55-R59 HydrophobicContact CE2-CG 3.93Å; Y55-R59 VanDerWaalsContact O-CB 3.3Å; Y55-R59 WeakPolarHBondContact O-CB 3.48Å; Y55-R59 WeakPolarHBondContact O-CG 3.4Å; Y55-R59 PolarHBondContact O-N 3.3Å; L57-R59 VanDerWaalsContact C-N 3.34Å; L57-R59 PolarHBondContact O-N 2.99Å; R59-L61 HydrophobicContact CB-CD1 4.38Å; R59-L61 HydrophobicContact CB-CD2 3.77Å; R59-L61 HydrophobicContact CB-CG 3.73Å; R59-L61 PolarHBondContact O-N 3.32Å |
| 60 | R | 88.4 | Confident | 89.6 | Confident | 143 Ų | 143 | 67 Ų | 67 | 54% | 0.54 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.5 | 36.8 | -178 | -58.2 | 179.9 | 177.1 | 178.6 | -1.7 | 113.1 | I56 L57 A58 F62 R63 | I56-R60 WeakPolarHBondContact O-CA 3.33Å; I56-R60 PolarHBondContact O-N 3.14Å; L57-R60 PolarHBondContact O-N 3.17Å; A58-R60 VanDerWaalsContact C-N 3.28Å; R60-F62 HydrophobicContact CB-CD1 4.44Å; R60-F62 HydrophobicContact CB-CE1 3.84Å; R60-F62 HydrophobicContact CB-CZ 4.04Å; R60-F62 HydrophobicContact CG-CE1 4.06Å; R60-F62 HydrophobicContact CG-CZ 4.18Å; R60-F62 PolarHBondContact O-N 3.19Å; R60-F62 VanDerWaalsContact O-N 3.08Å; R60-R63 WeakPolarHBondContact O-CB 3.48Å; R60-R63 PolarHBondContact O-N 3.31Å |
| 61 | L | 84.9 | Confident | 89.5 | Confident | 32 Ų | 32 | 63.1 Ų | 63.1 | 17% | 0.168 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -64.8 | -18.5 | -173.3 | -59.1 | 178.5 | 0 | 0 | 0 | 113.2 | Y55 I56 R59 R63 N64 F65 N68 | Y55-L61 HydrophobicContact CD1-CD1 3.86Å; Y55-L61 HydrophobicContact CE1-CD1 3.52Å; I56-L61 HydrophobicContact CG1-CD1 4.41Å; I56-L61 HydrophobicContact CG2-CB 4.36Å; I56-L61 PolarHBondContact O-N 2.83Å; R59-L61 HydrophobicContact CB-CD1 4.38Å; R59-L61 HydrophobicContact CB-CD2 3.77Å; R59-L61 HydrophobicContact CB-CG 3.73Å; R59-L61 PolarHBondContact O-N 3.32Å; L61-R63 PolarHBondContact O-N 3.36Å; L61-N64 PolarHBondContact O-N 3.03Å; L61-N64 VanDerWaalsContact O-N 3.1Å; L61-F65 PolarHBondContact O-N 3.48Å; L61-N68 HydrophobicContact CB-CB 4.33Å; L61-N68 VanDerWaalsContact CB-ND2 3.3Å; L61-N68 WeakPolarHBondContact CB-ND2 3.46Å; L61-N68 PolarHBondContact O-ND2 2.99Å |
| 62 | F | 80.7 | Confident | 89.4 | Confident | 65 Ų | 65 | 58.5 Ų | 58.5 | 29% | 0.285 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -59 | -23.7 | 172.5 | 64.3 | -101 | 0 | 0 | 0 | 113.1 | R60 H69 | R60-F62 HydrophobicContact CB-CD1 4.44Å; R60-F62 HydrophobicContact CB-CE1 3.84Å; R60-F62 HydrophobicContact CB-CZ 4.04Å; R60-F62 HydrophobicContact CG-CE1 4.06Å; R60-F62 HydrophobicContact CG-CZ 4.18Å; R60-F62 PolarHBondContact O-N 3.19Å; R60-F62 VanDerWaalsContact O-N 3.08Å; F62-H69 AromaticContact CD2-CE1 3.98Å; F62-H69 AromaticContact CD2-NE2 3.99Å; F62-H69 PolarHBondContact O-CD2 3.09Å; F62-H69 PolarHBondContact O-NE2 3.34Å |
| 63 | R | 81.7 | Confident | 89.5 | Confident | 176 Ų | 176 | 60.7 Ų | 60.7 | 66% | 0.664 | 29% | 0.289 | S | S | * | . | G | 310 helix | trans | -72.8 | -27.3 | 174.9 | -67.6 | -173.5 | 169.4 | -169.8 | -6.5 | 113.7 | R60 L61 | R60-R63 WeakPolarHBondContact O-CB 3.48Å; R60-R63 PolarHBondContact O-N 3.31Å; L61-R63 PolarHBondContact O-N 3.36Å |
| 64 | N | 77.4 | Confident | 89.6 | Confident | 120 Ų | 120 | 60.5 Ų | 60.5 | 64% | 0.642 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | -37.3 | -172.2 | -64.5 | -12.3 | 0 | 0 | 0 | 112 | L61 | L61-N64 PolarHBondContact O-N 3.03Å; L61-N64 VanDerWaalsContact O-N 3.1Å |
| 65 | F | 83.4 | Confident | 89.6 | Confident | 86 Ų | 86 | 56.8 Ų | 56.8 | 38% | 0.377 | 27% | 0.266 | S | S | . | . | trans | -133.4 | 127 | 179.7 | -57.8 | -85.6 | 0 | 0 | 0 | 111.2 | L61 S67 N68 | L61-F65 PolarHBondContact O-N 3.48Å; F65-S67 PolarHBondContact O-N 2.91Å; F65-N68 WeakPolarHBondContact O-CB 3.14Å; F65-N68 PolarHBondContact O-N 3.47Å; F65-N68 VanDerWaalsContact O-N 3.14Å | ||
| 66 | V | 87.3 | Confident | 89.6 | Confident | 45 Ų | 45 | 57.5 Ų | 57.5 | 27% | 0.273 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -34.7 | 178.6 | 174 | 0 | 0 | 0 | 0 | 111.8 | N68 H69 F70 V136 Y146 P154 | V66-N68 PolarHBondContact O-N 3.25Å; V66-N68 VanDerWaalsContact O-N 3.17Å; V66-H69 WeakPolarHBondContact O-CB 3.34Å; V66-H69 PolarHBondContact O-N 3.28Å; V66-H69 VanDerWaalsContact O-N 3.1Å; V66-F70 HydrophobicContact CG1-CE2 3.92Å; V66-V136 HydrophobicContact CB-CG1 4.32Å; V66-V136 HydrophobicContact CG1-CG2 4.12Å; V66-Y146 HydrophobicContact CG1-CD2 3.74Å; V66-Y146 HydrophobicContact CG1-CE1 4.47Å; V66-Y146 HydrophobicContact CG1-CE2 3.63Å; V66-Y146 HydrophobicContact CG1-CG 4.2Å; V66-Y146 HydrophobicContact CG2-CG 4.42Å; V66-P154 HydrophobicContact CG1-CB 4.23Å; V66-P154 HydrophobicContact CG1-CG 3.53Å |
| 67 | S | 89.4 | Confident | 89.8 | Confident | 6 Ų | 6 | 57.6 Ų | 57.6 | 4% | 0.042 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -56.7 | -32.2 | 177.4 | 52.8 | 0 | 0 | 0 | 0 | 112.8 | F65 H69 F70 I71 | F65-S67 PolarHBondContact O-N 2.91Å; S67-H69 VanDerWaalsContact C-N 3.25Å; S67-H69 PolarHBondContact O-N 3.44Å; S67-F70 PolarHBondContact O-N 3.46Å; S67-F70 VanDerWaalsContact O-N 3.09Å; S67-I71 WeakPolarHBondContact O-CG1 3.32Å; S67-I71 PolarHBondContact O-N 3.38Å |
| 68 | N | 90.6 | Very high | 90 | Very high | 4 Ų | 4 | 53.1 Ų | 53.1 | 2% | 0.021 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.4 | -25.7 | -179.1 | -65.1 | -25.3 | 0 | 0 | 0 | 113.2 | I56 L61 F65 V66 A72 L294 | I56-N68 HydrophobicContact CG2-CB 4.08Å; L61-N68 HydrophobicContact CB-CB 4.33Å; L61-N68 VanDerWaalsContact CB-ND2 3.3Å; L61-N68 WeakPolarHBondContact CB-ND2 3.46Å; L61-N68 PolarHBondContact O-ND2 2.99Å; F65-N68 WeakPolarHBondContact O-CB 3.14Å; F65-N68 PolarHBondContact O-N 3.47Å; F65-N68 VanDerWaalsContact O-N 3.14Å; V66-N68 PolarHBondContact O-N 3.25Å; V66-N68 VanDerWaalsContact O-N 3.17Å; N68-A72 WeakPolarHBondContact O-CB 3.22Å; N68-A72 PolarHBondContact O-N 3.32Å; N68-L294 WeakPolarHBondContact OD1-CD2 3.15Å |
| 69 | H | 91.4 | Very high | 90.2 | Very high | 38 Ų | 38 | 51.2 Ų | 51.2 | 18% | 0.176 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.4 | -45.9 | 171.6 | -79.7 | -90.4 | 0 | 0 | 0 | 111.1 | F62 V66 S67 H73 P154 | F62-H69 AromaticContact CD2-CE1 3.98Å; F62-H69 AromaticContact CD2-NE2 3.99Å; F62-H69 PolarHBondContact O-CD2 3.09Å; F62-H69 PolarHBondContact O-NE2 3.34Å; V66-H69 WeakPolarHBondContact O-CB 3.34Å; V66-H69 PolarHBondContact O-N 3.28Å; V66-H69 VanDerWaalsContact O-N 3.1Å; S67-H69 VanDerWaalsContact C-N 3.25Å; S67-H69 PolarHBondContact O-N 3.44Å; H69-H73 PolarHBondContact O-N 3.4Å; H69-H73 VanDerWaalsContact O-N 3.16Å; H69-H73 PolarHBondContact O-ND1 3.16Å; H69-P154 HydrophobicContact CB-CB 3.86Å |
| 70 | F | 94.2 | Very high | 90.3 | Very high | 1 Ų | 1 | 46.8 Ų | 46.8 | 0% | 0.004 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -71.2 | -39.4 | -179.9 | -58.6 | -66.8 | 0 | 0 | 0 | 111.6 | V66 S67 A72 H73 L74 M129 C132 I133 V136 Y146 P154 I157 C158 | V66-F70 HydrophobicContact CG1-CE2 3.92Å; S67-F70 PolarHBondContact O-N 3.46Å; S67-F70 VanDerWaalsContact O-N 3.09Å; F70-A72 PolarHBondContact O-N 3.17Å; F70-H73 PolarHBondContact O-N 3Å; F70-L74 WeakPolarHBondContact O-CB 3.37Å; F70-L74 PolarHBondContact O-N 3.23Å; F70-M129 HydrophobicContact CB-SD 4.17Å; F70-M129 HydrophobicContact CD1-CE 4.25Å; F70-M129 HydrophobicContact CD1-SD 3.96Å; F70-C132 HydrophobicContact CD1-CB 3.67Å; F70-C132 HydrophobicContact CD2-CB 4.21Å; F70-C132 HydrophobicContact CE1-CB 3.79Å; F70-C132 HydrophobicContact CE2-CB 4.3Å; F70-C132 HydrophobicContact CG-CB 3.91Å; F70-C132 HydrophobicContact CZ-CB 4.11Å; F70-I133 HydrophobicContact CB-CD1 4.21Å; F70-I133 HydrophobicContact CB-CG1 3.52Å; F70-I133 HydrophobicContact CG-CG1 4.5Å; F70-V136 HydrophobicContact CD2-CG2 4.1Å; F70-V136 HydrophobicContact CE2-CG2 3.7Å; F70-Y146 HydrophobicContact CE2-CE2 4.46Å; F70-P154 HydrophobicContact CE1-CB 4.36Å; F70-P154 HydrophobicContact CE2-CB 4.2Å; F70-P154 HydrophobicContact CZ-CB 3.83Å; F70-I157 HydrophobicContact CE1-CB 3.97Å; F70-I157 HydrophobicContact CE1-CG2 3.88Å; F70-I157 HydrophobicContact CZ-CB 4.29Å; F70-I157 HydrophobicContact CZ-CD1 4.44Å; F70-I157 HydrophobicContact CZ-CG2 4.3Å; F70-C158 WeakPolarHBondContact CD1-SG 3.33Å |
| 71 | I | 93.8 | Very high | 90.6 | Very high | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.021 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.9 | -41.4 | 176.6 | -62.2 | 166.2 | 0 | 0 | 0 | 111.1 | V52 I56 S67 L74 G75 I133 Y290 L294 | V52-I71 HydrophobicContact CG1-CG2 3.95Å; I56-I71 HydrophobicContact CD1-CB 4.01Å; I56-I71 HydrophobicContact CD1-CG2 3.66Å; S67-I71 WeakPolarHBondContact O-CG1 3.32Å; S67-I71 PolarHBondContact O-N 3.38Å; I71-L74 PolarHBondContact O-N 3.49Å; I71-G75 PolarHBondContact O-N 2.99Å; I71-I133 HydrophobicContact CG1-CD1 3.76Å; I71-I133 HydrophobicContact CG1-CG1 4.13Å; I71-Y290 HydrophobicContact CD1-CD1 4.21Å; I71-Y290 HydrophobicContact CD1-CG 4.46Å; I71-Y290 HydrophobicContact CG1-CD1 4.31Å; I71-Y290 HydrophobicContact CG1-CG 4.25Å; I71-Y290 HydrophobicContact CG2-CG 4.48Å; I71-L294 HydrophobicContact CD1-CD2 4.34Å; I71-L294 HydrophobicContact CG2-CD1 4.35Å |
| 72 | A | 93.6 | Very high | 91.1 | Very high | 9 Ų | 9 | 38.6 Ų | 38.6 | 7% | 0.074 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.2 | -41.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | I56 N68 F70 G75 L76 | I56-A72 HydrophobicContact CB-CB 4.41Å; I56-A72 HydrophobicContact CD1-CB 4.09Å; I56-A72 HydrophobicContact CG2-CB 3.98Å; N68-A72 WeakPolarHBondContact O-CB 3.22Å; N68-A72 PolarHBondContact O-N 3.32Å; F70-A72 PolarHBondContact O-N 3.17Å; A72-G75 PolarHBondContact O-N 3.44Å; A72-L76 WeakPolarHBondContact O-CG 3.31Å; A72-L76 PolarHBondContact O-N 3.45Å |
| 73 | H | 94.5 | Very high | 91.7 | Very high | 58 Ų | 58 | 38.6 Ų | 38.6 | 27% | 0.269 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -66.2 | -40.7 | 175.3 | -79.5 | 82.1 | 0 | 0 | 0 | 112.2 | H69 F70 G75 L76 T77 M129 | H69-H73 PolarHBondContact O-N 3.4Å; H69-H73 VanDerWaalsContact O-N 3.16Å; H69-H73 PolarHBondContact O-ND1 3.16Å; F70-H73 PolarHBondContact O-N 3Å; H73-G75 VanDerWaalsContact C-N 3.27Å; H73-G75 PolarHBondContact O-N 3.19Å; H73-L76 PolarHBondContact O-N 3.37Å; H73-T77 PolarHBondContact O-N 3.29Å; H73-T77 PolarHBondContact O-OG1 2.99Å; H73-T77 VanDerWaalsContact O-OG1 3.1Å; H73-M129 HydrophobicContact CB-SD 3.99Å |
| 74 | L | 95.1 | Very high | 92.3 | Very high | 3 Ų | 3 | 33.9 Ų | 33.9 | 2% | 0.016 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.7 | -42 | 172.6 | 179.8 | 63 | 0 | 0 | 0 | 111.1 | F70 I71 T77 G78 T126 M129 I133 L286 Y290 | F70-L74 WeakPolarHBondContact O-CB 3.37Å; F70-L74 PolarHBondContact O-N 3.23Å; I71-L74 PolarHBondContact O-N 3.49Å; L74-T77 PolarHBondContact O-N 3.44Å; L74-G78 PolarHBondContact O-N 2.86Å; L74-T126 HydrophobicContact CD1-CG2 3.9Å; L74-M129 HydrophobicContact CB-CB 4.26Å; L74-M129 HydrophobicContact CB-CG 4.48Å; L74-M129 HydrophobicContact CD1-CB 4.13Å; L74-I133 HydrophobicContact CD2-CD1 3.99Å; L74-L286 HydrophobicContact CD1-CD1 4.44Å; L74-L286 HydrophobicContact CD2-CB 4.26Å; L74-L286 HydrophobicContact CD2-CD1 4.44Å; L74-Y290 HydrophobicContact CD2-CD2 3.63Å; L74-Y290 HydrophobicContact CD2-CE2 3.59Å |
| 75 | G | 95.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58.6 | -45.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | N49 I71 A72 H73 G78 I79 | N49-G75 WeakPolarHBondContact OD1-CA 3.35Å; N49-G75 PolarHBondContact OD1-O 2.92Å; I71-G75 PolarHBondContact O-N 2.99Å; A72-G75 PolarHBondContact O-N 3.44Å; H73-G75 VanDerWaalsContact C-N 3.27Å; H73-G75 PolarHBondContact O-N 3.19Å; G75-G78 PolarHBondContact O-N 3.43Å; G75-I79 WeakPolarHBondContact O-CG1 3.47Å; G75-I79 PolarHBondContact O-N 3Å |
| 76 | L | 94.7 | Very high | 93.5 | Very high | 83 Ų | 83 | 24.3 Ų | 24.3 | 44% | 0.435 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -63 | -44.6 | 175.4 | -70.1 | 173.1 | 0 | 0 | 0 | 112.2 | T53 A72 H73 G78 I79 I80 | T53-L76 HydrophobicContact CG2-CD2 3.9Å; T53-L76 HydrophobicContact CG2-CG 4.1Å; A72-L76 WeakPolarHBondContact O-CG 3.31Å; A72-L76 PolarHBondContact O-N 3.45Å; H73-L76 PolarHBondContact O-N 3.37Å; L76-G78 VanDerWaalsContact C-N 3.29Å; L76-G78 PolarHBondContact O-N 3.28Å; L76-I79 HydrophobicContact CD2-CD1 4.41Å; L76-I79 WeakPolarHBondContact O-CB 3.37Å; L76-I79 PolarHBondContact O-N 3.24Å; L76-I80 WeakPolarHBondContact O-CG1 3.15Å; L76-I80 PolarHBondContact O-N 2.83Å |
| 77 | T | 95.7 | Very high | 93.9 | Very high | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.006 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59.4 | -41.6 | 174.9 | -60.5 | 0 | 0 | 0 | 0 | 111.2 | H73 L74 I80 A81 I122 V125 W162 | H73-T77 PolarHBondContact O-N 3.29Å; H73-T77 PolarHBondContact O-OG1 2.99Å; H73-T77 VanDerWaalsContact O-OG1 3.1Å; L74-T77 PolarHBondContact O-N 3.44Å; T77-I80 PolarHBondContact O-N 2.86Å; T77-A81 PolarHBondContact O-N 3.4Å; T77-I122 HydrophobicContact CG2-CB 4.42Å; T77-I122 HydrophobicContact CG2-CG1 4.41Å; T77-I122 HydrophobicContact CG2-CG2 3.9Å; T77-V125 HydrophobicContact CG2-CB 4.38Å; T77-V125 HydrophobicContact CG2-CG1 4Å; T77-W162 HydrophobicContact CG2-CZ2 4.26Å; T77-W162 WeakPolarHBondContact OG1-CZ2 3.5Å |
| 78 | G | 95.4 | Very high | 94 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.01 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.6 | -38.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | L74 G75 L76 A81 C82 | L74-G78 PolarHBondContact O-N 2.86Å; G75-G78 PolarHBondContact O-N 3.43Å; L76-G78 VanDerWaalsContact C-N 3.29Å; L76-G78 PolarHBondContact O-N 3.28Å; G78-A81 WeakPolarHBondContact O-CB 3.37Å; G78-A81 PolarHBondContact O-N 3.47Å; G78-C82 WeakPolarHBondContact O-CB 3.32Å; G78-C82 PolarHBondContact O-N 3.31Å; G78-C82 PolarHBondContact O-SG 2.9Å |
| 79 | I | 95.7 | Very high | 94.2 | Very high | 36 Ų | 36 | 24.9 Ų | 24.9 | 19% | 0.185 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.2 | -50 | 172.1 | -67.8 | 166.5 | 0 | 0 | 0 | 109.9 | N49 L50 G75 L76 A81 C82 S83 | N49-I79 HydrophobicContact CB-CG1 3.69Å; L50-I79 HydrophobicContact CB-CD1 4.39Å; L50-I79 HydrophobicContact CD1-CD1 4.23Å; G75-I79 WeakPolarHBondContact O-CG1 3.47Å; G75-I79 PolarHBondContact O-N 3Å; L76-I79 HydrophobicContact CD2-CD1 4.41Å; L76-I79 WeakPolarHBondContact O-CB 3.37Å; L76-I79 PolarHBondContact O-N 3.24Å; I79-A81 VanDerWaalsContact C-N 3.29Å; I79-A81 PolarHBondContact O-N 3.43Å; I79-C82 PolarHBondContact O-N 3.25Å; I79-S83 VanDerWaalsContact O-CB 3.24Å; I79-S83 WeakPolarHBondContact O-CB 3.48Å; I79-S83 PolarHBondContact O-N 3.2Å; I79-S83 PolarHBondContact O-OG 3Å |
| 80 | I | 94 | Very high | 94.3 | Very high | 71 Ų | 71 | 24.2 Ų | 24.2 | 36% | 0.364 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -58.9 | -44.3 | 179.3 | -60.7 | 167.8 | 0 | 0 | 0 | 110.1 | L76 T77 C82 S83 Y84 I122 W162 | L76-I80 WeakPolarHBondContact O-CG1 3.15Å; L76-I80 PolarHBondContact O-N 2.83Å; T77-I80 PolarHBondContact O-N 2.86Å; I80-C82 PolarHBondContact O-N 3.27Å; I80-S83 PolarHBondContact O-N 2.9Å; I80-Y84 VanDerWaalsContact O-CB 3.29Å; I80-Y84 WeakPolarHBondContact O-CB 3.42Å; I80-Y84 PolarHBondContact O-N 3.32Å; I80-I122 HydrophobicContact CB-CD1 4.22Å; I80-I122 HydrophobicContact CG2-CD1 3.69Å; I80-W162 HydrophobicContact CD1-CH2 4.31Å; I80-W162 HydrophobicContact CD1-CZ2 4.35Å |
| 81 | A | 94.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | I | π-helix | trans | -58 | -50.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | T77 G78 I79 L85 T86 I122 N283 | T77-A81 PolarHBondContact O-N 3.4Å; G78-A81 WeakPolarHBondContact O-CB 3.37Å; G78-A81 PolarHBondContact O-N 3.47Å; I79-A81 VanDerWaalsContact C-N 3.29Å; I79-A81 PolarHBondContact O-N 3.43Å; A81-L85 WeakPolarHBondContact O-CB 3.29Å; A81-L85 PolarHBondContact O-N 3.01Å; A81-T86 PolarHBondContact O-N 3.31Å; A81-T86 VanDerWaalsContact O-N 3.08Å; A81-T86 PolarHBondContact O-OG1 2.96Å; A81-I122 HydrophobicContact CB-CD1 4.31Å; A81-I122 HydrophobicContact CB-CG2 3.79Å; A81-N283 HydrophobicContact CB-CB 4.28Å |
| 82 | C | 94.3 | Very high | 94.2 | Very high | 4 Ų | 4 | 26.7 Ų | 26.7 | 3% | 0.027 | 14% | 0.142 | C | C | . | . | I | π-helix | trans | -77 | -24.5 | -176 | -61.4 | 0 | 0 | 0 | 0 | 113.9 | I46 G78 I79 I80 P87 | I46-C82 HydrophobicContact CD1-CB 4.38Å; I46-C82 HydrophobicContact CG1-CB 3.53Å; G78-C82 WeakPolarHBondContact O-CB 3.32Å; G78-C82 PolarHBondContact O-N 3.31Å; G78-C82 PolarHBondContact O-SG 2.9Å; I79-C82 PolarHBondContact O-N 3.25Å; I80-C82 PolarHBondContact O-N 3.27Å; C82-P87 VanDerWaalsContact O-CD 3.28Å; C82-P87 WeakPolarHBondContact O-CD 3.39Å |
| 83 | S | 93.9 | Very high | 94.1 | Very high | 65 Ų | 65 | 26.3 Ų | 26.3 | 46% | 0.455 | 14% | 0.138 | S | C | . | . | I | π-helix | trans | -92.6 | -20 | -179.8 | 72.8 | 0 | 0 | 0 | 0 | 113.8 | I79 I80 P87 | I79-S83 VanDerWaalsContact O-CB 3.24Å; I79-S83 WeakPolarHBondContact O-CB 3.48Å; I79-S83 PolarHBondContact O-N 3.2Å; I79-S83 PolarHBondContact O-OG 3Å; I80-S83 PolarHBondContact O-N 2.9Å; S83-P87 WeakPolarHBondContact O-CG 3.33Å |
| 84 | Y | 94 | Very high | 93.9 | Very high | 76 Ų | 76 | 29.5 Ų | 29.5 | 30% | 0.298 | 15% | 0.148 | S | C | . | . | I | π-helix | trans | -117.6 | -57.6 | -178.3 | 174.4 | -108.7 | 0 | 0 | 0 | 112.9 | I80 P87 I88 T118 | I80-Y84 VanDerWaalsContact O-CB 3.29Å; I80-Y84 WeakPolarHBondContact O-CB 3.42Å; I80-Y84 PolarHBondContact O-N 3.32Å; Y84-P87 WeakPolarHBondContact O-CD 3.38Å; Y84-I88 HydrophobicContact CD2-CD1 4.16Å; Y84-I88 HydrophobicContact CE1-CD1 4.4Å; Y84-I88 HydrophobicContact CE2-CD1 3.72Å; Y84-I88 WeakPolarHBondContact O-CG1 3.37Å; Y84-T118 HydrophobicContact CD1-CG2 3.88Å; Y84-T118 HydrophobicContact CE1-CG2 3.8Å |
| 85 | L | 94.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | I | π-helix | trans | -70.3 | -47.1 | -175.5 | -61.7 | 179.5 | 0 | 0 | 0 | 111.9 | A81 I88 F89 T118 I122 Y280 | A81-L85 WeakPolarHBondContact O-CB 3.29Å; A81-L85 PolarHBondContact O-N 3.01Å; L85-I88 PolarHBondContact O-N 3.48Å; L85-F89 PolarHBondContact O-N 3.49Å; L85-T118 HydrophobicContact CD2-CG2 3.86Å; L85-T118 HydrophobicContact CG-CG2 4.34Å; L85-I122 HydrophobicContact CD1-CB 4.38Å; L85-I122 HydrophobicContact CD1-CD1 3.79Å; L85-I122 HydrophobicContact CD1-CG2 4.44Å; L85-I122 HydrophobicContact CG-CD1 4.27Å; L85-Y280 HydrophobicContact CB-CE1 3.7Å; L85-Y280 HydrophobicContact CD1-CE1 3.88Å; L85-Y280 HydrophobicContact CG-CE1 4.45Å |
| 86 | T | 92.9 | Very high | 93 | Very high | 6 Ų | 6 | 35.7 Ų | 35.7 | 4% | 0.037 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.7 | -40 | -175.5 | -46.7 | 0 | 0 | 0 | 0 | 113.5 | A42 A81 I88 F89 I90 | A42-T86 HydrophobicContact CB-CG2 3.6Å; A81-T86 PolarHBondContact O-N 3.31Å; A81-T86 VanDerWaalsContact O-N 3.08Å; A81-T86 PolarHBondContact O-OG1 2.96Å; T86-I88 VanDerWaalsContact C-N 3.34Å; T86-I88 PolarHBondContact O-N 2.91Å; T86-F89 PolarHBondContact O-N 3.38Å; T86-I90 HydrophobicContact CG2-CD1 3.97Å; T86-I90 HydrophobicContact CG2-CG1 4.3Å; T86-I90 WeakPolarHBondContact O-CD1 3.13Å; T86-I90 VanDerWaalsContact O-CG1 3.23Å; T86-I90 WeakPolarHBondContact O-CG1 3.23Å; T86-I90 PolarHBondContact O-N 2.93Å |
| 87 | P | 93.8 | Very high | 92.4 | Very high | 51 Ų | 51 | 34 Ų | 34 | 33% | 0.331 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -60.2 | -40.1 | 174.6 | -29.7 | 39.5 | 0 | 0 | 0 | 113.6 | C82 S83 Y84 I90 Q91 | C82-P87 VanDerWaalsContact O-CD 3.28Å; C82-P87 WeakPolarHBondContact O-CD 3.39Å; S83-P87 WeakPolarHBondContact O-CG 3.33Å; Y84-P87 WeakPolarHBondContact O-CD 3.38Å; P87-I90 PolarHBondContact O-N 3.3Å; P87-Q91 WeakPolarHBondContact O-CG 3.47Å; P87-Q91 PolarHBondContact O-N 2.97Å |
| 88 | I | 92.8 | Very high | 91.7 | Very high | 15 Ų | 15 | 34 Ų | 34 | 8% | 0.077 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.5 | -46.7 | 175 | -66.4 | 167.7 | 0 | 0 | 0 | 109.8 | Y84 L85 T86 I90 Q91 N92 L100 | Y84-I88 HydrophobicContact CD2-CD1 4.16Å; Y84-I88 HydrophobicContact CE1-CD1 4.4Å; Y84-I88 HydrophobicContact CE2-CD1 3.72Å; Y84-I88 WeakPolarHBondContact O-CG1 3.37Å; L85-I88 PolarHBondContact O-N 3.48Å; T86-I88 VanDerWaalsContact C-N 3.34Å; T86-I88 PolarHBondContact O-N 2.91Å; I88-I90 VanDerWaalsContact C-N 3.35Å; I88-I90 PolarHBondContact O-N 2.78Å; I88-Q91 PolarHBondContact O-N 3.47Å; I88-N92 PolarHBondContact O-N 3.38Å; I88-N92 PolarHBondContact O-OD1 3Å; I88-L100 HydrophobicContact CD1-CD1 4.41Å; I88-L100 HydrophobicContact CD1-CD2 4.17Å; I88-L100 HydrophobicContact CG1-CD2 4.41Å; I88-L100 HydrophobicContact CG2-CD1 3.98Å; I88-L100 HydrophobicContact CG2-CD2 4.44Å; I88-L100 HydrophobicContact CG2-CG 4.06Å |
| 89 | F | 94 | Very high | 91.1 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.9 | -41.6 | 177.3 | -176.5 | -148.7 | 0 | 0 | 0 | 112.7 | L38 L85 T86 Q91 N92 V93 H187 T273 L276 M277 Y280 | L38-F89 HydrophobicContact CD1-CD1 3.88Å; L38-F89 HydrophobicContact CD1-CE1 3.71Å; L38-F89 HydrophobicContact CD1-CG 4.42Å; L38-F89 HydrophobicContact CD1-CZ 4.11Å; L38-F89 HydrophobicContact CD2-CD1 3.75Å; L38-F89 HydrophobicContact CD2-CE1 3.65Å; L38-F89 HydrophobicContact CG-CD1 4.5Å; L38-F89 HydrophobicContact CG-CE1 4.35Å; L85-F89 PolarHBondContact O-N 3.49Å; T86-F89 PolarHBondContact O-N 3.38Å; F89-Q91 VanDerWaalsContact C-N 3.34Å; F89-Q91 PolarHBondContact O-N 2.88Å; F89-N92 PolarHBondContact O-N 3.48Å; F89-V93 HydrophobicContact CD2-CG2 3.7Å; F89-V93 HydrophobicContact CE2-CG2 3.35Å; F89-V93 HydrophobicContact CZ-CG2 3.99Å; F89-V93 WeakPolarHBondContact O-CG2 3.49Å; F89-V93 PolarHBondContact O-N 3.47Å; F89-H187 AromaticContact CD2-CD2 3.86Å; F89-T273 HydrophobicContact CE2-CG2 4.35Å; F89-T273 HydrophobicContact CZ-CG2 4.05Å; F89-L276 HydrophobicContact CE1-CD2 4.44Å; F89-L276 HydrophobicContact CE1-CG 4.21Å; F89-L276 HydrophobicContact CE2-CD2 3.9Å; F89-L276 HydrophobicContact CZ-CB 4.18Å; F89-L276 HydrophobicContact CZ-CD2 3.85Å; F89-L276 HydrophobicContact CZ-CG 3.96Å; F89-M277 HydrophobicContact CE1-CB 4.28Å; F89-Y280 HydrophobicContact CD1-CD2 4.21Å; F89-Y280 HydrophobicContact CD1-CE2 4.4Å; F89-Y280 HydrophobicContact CE1-CD2 4.36Å |
| 90 | I | 93.9 | Very high | 90.4 | Very high | 24 Ų | 24 | 39.4 Ų | 39.4 | 12% | 0.123 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.1 | -45.8 | 175 | -70.7 | 159.7 | 0 | 0 | 0 | 110.9 | L38 A39 A42 T86 P87 I88 R94 | L38-I90 HydrophobicContact CB-CD1 4.31Å; L38-I90 HydrophobicContact CB-CG1 3.58Å; A39-I90 HydrophobicContact CB-CD1 4.04Å; A42-I90 HydrophobicContact CB-CD1 4.25Å; T86-I90 HydrophobicContact CG2-CD1 3.97Å; T86-I90 HydrophobicContact CG2-CG1 4.3Å; T86-I90 WeakPolarHBondContact O-CD1 3.13Å; T86-I90 VanDerWaalsContact O-CG1 3.23Å; T86-I90 WeakPolarHBondContact O-CG1 3.23Å; T86-I90 PolarHBondContact O-N 2.93Å; P87-I90 PolarHBondContact O-N 3.3Å; I88-I90 VanDerWaalsContact C-N 3.35Å; I88-I90 PolarHBondContact O-N 2.78Å; I90-R94 VanDerWaalsContact O-CB 3.27Å; I90-R94 WeakPolarHBondContact O-CB 3.48Å; I90-R94 PolarHBondContact O-N 3.28Å |
| 91 | Q | 93.1 | Very high | 89.5 | Confident | 58 Ų | 58 | 37.2 Ų | 37.2 | 27% | 0.271 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -65.3 | -43.5 | 179.4 | -65.5 | -61.6 | -9.1 | 0 | 0 | 111.6 | P87 I88 F89 V93 R94 F95 F99 | P87-Q91 WeakPolarHBondContact O-CG 3.47Å; P87-Q91 PolarHBondContact O-N 2.97Å; I88-Q91 PolarHBondContact O-N 3.47Å; F89-Q91 VanDerWaalsContact C-N 3.34Å; F89-Q91 PolarHBondContact O-N 2.88Å; Q91-V93 PolarHBondContact O-N 2.99Å; Q91-R94 PolarHBondContact O-N 3.09Å; Q91-F95 WeakPolarHBondContact O-CD2 3.35Å; Q91-F95 PolarHBondContact O-N 3.39Å; Q91-F99 HydrophobicContact CB-CB 3.92Å; Q91-F99 HydrophobicContact CB-CD2 4.05Å; Q91-F99 HydrophobicContact CB-CG 3.9Å; Q91-F99 HydrophobicContact CG-CD2 4.34Å; Q91-F99 HydrophobicContact CG-CG 4.38Å |
| 92 | N | 91.9 | Very high | 88.1 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.3 | -43.2 | 178.8 | -68.1 | -2.5 | 0 | 0 | 0 | 112.2 | I88 F89 G96 T97 F99 H186 | I88-N92 PolarHBondContact O-N 3.38Å; I88-N92 PolarHBondContact O-OD1 3Å; F89-N92 PolarHBondContact O-N 3.48Å; N92-G96 VanDerWaalsContact O-CA 3.23Å; N92-G96 WeakPolarHBondContact O-CA 3.4Å; N92-G96 PolarHBondContact O-N 3.18Å; N92-T97 WeakPolarHBondContact CA-O 3.45Å; N92-F99 WeakPolarHBondContact OD1-CB 3.45Å; N92-F99 PolarHBondContact OD1-N 2.89Å; N92-H186 HydrophobicContact CB-CB 4.18Å; N92-H186 WeakPolarHBondContact CB-O 3.31Å; N92-H186 PolarHBondContact ND2-O 3.1Å |
| 93 | V | 92.1 | Very high | 86.8 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.8 | -40.7 | 176.2 | 172 | 0 | 0 | 0 | 0 | 111.1 | R31 L34 L38 F89 Q91 H186 T273 | R31-V93 WeakPolarHBondContact CB-O 3.35Å; R31-V93 WeakPolarHBondContact CD-O 3.3Å; R31-V93 WeakPolarHBondContact CG-O 3.11Å; L34-V93 HydrophobicContact CB-CG1 3.9Å; L38-V93 HydrophobicContact CD1-CB 4.49Å; L38-V93 HydrophobicContact CD1-CG2 4.09Å; F89-V93 HydrophobicContact CD2-CG2 3.7Å; F89-V93 HydrophobicContact CE2-CG2 3.35Å; F89-V93 HydrophobicContact CZ-CG2 3.99Å; F89-V93 WeakPolarHBondContact O-CG2 3.49Å; F89-V93 PolarHBondContact O-N 3.47Å; Q91-V93 PolarHBondContact O-N 2.99Å; V93-H186 HydrophobicContact CG2-CB 3.98Å; V93-T273 HydrophobicContact CG1-CG2 4.34Å; V93-T273 HydrophobicContact CG2-CG2 3.76Å |
| 94 | R | 91.3 | Very high | 85.3 | Confident | 125 Ų | 125 | 51.5 Ų | 51.5 | 47% | 0.472 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.8 | -45.9 | -177.8 | -175.2 | 176.9 | -175.2 | 177.7 | 1 | 112.3 | R31 I90 Q91 | R31-R94 PolarHBondContact NE-O 3.1Å; I90-R94 VanDerWaalsContact O-CB 3.27Å; I90-R94 WeakPolarHBondContact O-CB 3.48Å; I90-R94 PolarHBondContact O-N 3.28Å; Q91-R94 PolarHBondContact O-N 3.09Å |
| 95 | F | 88.3 | Confident | 83.8 | Confident | 113 Ų | 113 | 53.3 Ų | 53.3 | 50% | 0.496 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -91.8 | -19.2 | -177 | -65.6 | -64.3 | 0 | 0 | 0 | 113.3 | R31 Q91 T97 | R31-F95 PolarHBondContact NH1-O 3.48Å; Q91-F95 WeakPolarHBondContact O-CD2 3.35Å; Q91-F95 PolarHBondContact O-N 3.39Å; F95-T97 PolarHBondContact O-N 3.13Å |
| 96 | G | 81.8 | Confident | 82.4 | Confident | 20 Ų | 20 | 59.1 Ų | 59.1 | 21% | 0.206 | 30% | 0.295 | C | S | . | . | S | Bend | trans | 78.1 | 0.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114 | N92 | N92-G96 VanDerWaalsContact O-CA 3.23Å; N92-G96 WeakPolarHBondContact O-CA 3.4Å; N92-G96 PolarHBondContact O-N 3.18Å |
| 97 | T | 83.6 | Confident | 81.6 | Confident | 47 Ų | 47 | 60.2 Ų | 60.2 | 29% | 0.288 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -121.8 | 160.8 | -176.9 | 59.5 | 0 | 0 | 0 | 0 | 110.3 | N92 F95 F99 E104 Y181 | N92-T97 WeakPolarHBondContact CA-O 3.45Å; F95-T97 PolarHBondContact O-N 3.13Å; T97-F99 PolarHBondContact O-N 3.15Å; T97-E104 HydrophobicContact CG2-CG 3.96Å; T97-Y181 VanDerWaalsContact C-OH 3.29Å |
| 98 | D | 80.2 | Confident | 81 | Confident | 3 Ų | 3 | 58.8 Ų | 58.8 | 2% | 0.016 | 29% | 0.291 | C | S | . | . | trans | -63.3 | 119 | 171.2 | -173.6 | 11.6 | 0 | 0 | 0 | 109.6 | L100 S101 H107 Y181 | D98-L100 VanDerWaalsContact C-N 3.27Å; D98-L100 WeakPolarHBondContact OD1-CB 3.34Å; D98-L100 PolarHBondContact OD1-N 2.96Å; D98-S101 VanDerWaalsContact OD2-CB 3.27Å; D98-S101 WeakPolarHBondContact OD2-CB 3.5Å; D98-H107 IonicContact OD2-CE1 2.73Å; D98-H107 PolarHBondContact OD2-CE1 3.27Å; D98-H107 IonicContact OD2-NE2 3.28Å; D98-H107 PolarHBondContact OD2-NE2 3.3Å; D98-H107 VanDerWaalsContact OD2-NE2 3.08Å; D98-Y181 HydrophobicContact CB-CD1 4.2Å; D98-Y181 HydrophobicContact CB-CD2 3.66Å; D98-Y181 HydrophobicContact CB-CE1 4.29Å; D98-Y181 HydrophobicContact CB-CE2 3.79Å; D98-Y181 HydrophobicContact CB-CG 3.87Å; D98-Y181 PolarHBondContact N-OH 2.72Å | ||
| 99 | F | 83.2 | Confident | 80.7 | Confident | 119 Ų | 119 | 59.2 Ų | 59.2 | 52% | 0.522 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -28.8 | 174.1 | 174.2 | -102.5 | 0 | 0 | 0 | 111.8 | Q91 N92 T97 S101 | Q91-F99 HydrophobicContact CB-CB 3.92Å; Q91-F99 HydrophobicContact CB-CD2 4.05Å; Q91-F99 HydrophobicContact CB-CG 3.9Å; Q91-F99 HydrophobicContact CG-CD2 4.34Å; Q91-F99 HydrophobicContact CG-CG 4.38Å; N92-F99 WeakPolarHBondContact OD1-CB 3.45Å; N92-F99 PolarHBondContact OD1-N 2.89Å; T97-F99 PolarHBondContact O-N 3.15Å; F99-S101 PolarHBondContact O-N 3.18Å |
| 100 | L | 81.6 | Confident | 80.4 | Confident | 31 Ų | 31 | 63 Ų | 63 | 16% | 0.162 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -5 | -175.7 | -62.5 | 176 | 0 | 0 | 0 | 113.1 | I88 D98 L111 H115 | I88-L100 HydrophobicContact CD1-CD1 4.41Å; I88-L100 HydrophobicContact CD1-CD2 4.17Å; I88-L100 HydrophobicContact CG1-CD2 4.41Å; I88-L100 HydrophobicContact CG2-CD1 3.98Å; I88-L100 HydrophobicContact CG2-CD2 4.44Å; I88-L100 HydrophobicContact CG2-CG 4.06Å; D98-L100 VanDerWaalsContact C-N 3.27Å; D98-L100 WeakPolarHBondContact OD1-CB 3.34Å; D98-L100 PolarHBondContact OD1-N 2.96Å; L100-L111 HydrophobicContact CB-CB 3.85Å; L100-L111 HydrophobicContact CB-CD1 4.43Å; L100-L111 HydrophobicContact CD1-CB 4.22Å; L100-L111 HydrophobicContact CD2-CB 4.42Å; L100-L111 HydrophobicContact CG-CB 4.4Å; L100-L111 WeakPolarHBondContact O-CD1 3.43Å; L100-H115 HydrophobicContact CD1-CB 3.82Å |
| 101 | S | 74 | Confident | 80.3 | Confident | 24 Ų | 24 | 65.7 Ų | 65.7 | 17% | 0.168 | 34% | 0.336 | C | S | . | . | trans | -148.1 | 145.3 | -175.3 | 179.2 | 0 | 0 | 0 | 0 | 111.1 | D98 F99 H103 H107 | D98-S101 VanDerWaalsContact OD2-CB 3.27Å; D98-S101 WeakPolarHBondContact OD2-CB 3.5Å; F99-S101 PolarHBondContact O-N 3.18Å; S101-H103 PolarHBondContact O-N 2.88Å; S101-H103 PolarHBondContact OG-N 2.92Å; S101-H107 WeakPolarHBondContact CB-CE1 3.26Å; S101-H107 WeakPolarHBondContact CB-NE2 3.38Å; S101-H107 PolarHBondContact OG-CD2 3.2Å; S101-H107 VanDerWaalsContact OG-CD2 3.29Å; S101-H107 PolarHBondContact OG-CE1 3.43Å; S101-H107 PolarHBondContact OG-NE2 3.16Å | ||
| 102 | T | 66.4 | Low | 80.2 | Confident | 139 Ų | 139 | 62.9 Ų | 62.9 | 85% | 0.853 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -74.6 | -1.1 | 174.8 | 41.5 | 0 | 0 | 0 | 0 | 113.7 | ||
| 103 | H | 65.4 | Low | 80.2 | Confident | 126 Ų | 126 | 65.5 Ų | 65.5 | 58% | 0.583 | 33% | 0.332 | S | S | * | . | trans | -105.9 | 135.1 | -177.3 | -63.2 | -67.9 | 0 | 0 | 0 | 112.1 | S101 H107 | S101-H103 PolarHBondContact O-N 2.88Å; S101-H103 PolarHBondContact OG-N 2.92Å; H103-H107 PolarHBondContact O-CE1 2.73Å; H103-H107 PolarHBondContact O-ND1 3.29Å | ||
| 104 | E | 63.2 | Low | 80.3 | Confident | 104 Ų | 104 | 68.6 Ų | 68.6 | 49% | 0.486 | 35% | 0.349 | S | S | . | . | trans | -76.8 | -29.5 | -170.6 | -69.1 | -175.4 | 172.7 | 0 | 0 | 115 | T97 | T97-E104 HydrophobicContact CG2-CG 3.96Š| ||
| 105 | Y | 63.3 | Low | 80.4 | Confident | 115 Ų | 115 | 62.7 Ų | 62.7 | 45% | 0.451 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -133.1 | 137 | -164.6 | -56.9 | -75.4 | 0 | 0 | 0 | 115.1 | H107 | Y105-H107 PolarHBondContact O-N 2.99Š|
| 106 | N | 64.4 | Low | 80.7 | Confident | 121 Ų | 121 | 57.4 Ų | 57.4 | 65% | 0.647 | 30% | 0.304 | S | S | * | . | S | Bend | trans | 40.8 | 38.8 | 162.3 | -73.9 | -14.9 | 0 | 0 | 0 | 115.9 | Y181 | N106-Y181 PolarHBondContact OD1-O 3.38Å; N106-Y181 VanDerWaalsContact OD1-O 3.11Å |
| 107 | H | 75.7 | Confident | 81.4 | Confident | 30 Ų | 30 | 57.9 Ų | 57.9 | 14% | 0.139 | 30% | 0.3 | C | S | . | . | trans | -105.7 | 147.2 | -179 | 74.2 | -80.2 | 0 | 0 | 0 | 109.4 | D98 S101 H103 Y105 Y181 | D98-H107 IonicContact OD2-CE1 2.73Å; D98-H107 PolarHBondContact OD2-CE1 3.27Å; D98-H107 IonicContact OD2-NE2 3.28Å; D98-H107 PolarHBondContact OD2-NE2 3.3Å; D98-H107 VanDerWaalsContact OD2-NE2 3.08Å; S101-H107 WeakPolarHBondContact CB-CE1 3.26Å; S101-H107 WeakPolarHBondContact CB-NE2 3.38Å; S101-H107 PolarHBondContact OG-CD2 3.2Å; S101-H107 VanDerWaalsContact OG-CD2 3.29Å; S101-H107 PolarHBondContact OG-CE1 3.43Å; S101-H107 PolarHBondContact OG-NE2 3.16Å; H103-H107 PolarHBondContact O-CE1 2.73Å; H103-H107 PolarHBondContact O-ND1 3.29Å; Y105-H107 PolarHBondContact O-N 2.99Å; H107-Y181 PolarHBondContact O-N 3.25Å | ||
| 108 | S | 80.4 | Confident | 82 | Confident | 21 Ų | 21 | 56.8 Ų | 56.8 | 15% | 0.147 | 29% | 0.293 | C | S | . | . | trans | -106.4 | 75.3 | 176.7 | 172.6 | 0 | 0 | 0 | 0 | 109.8 | R113 E176 V179 | S108-R113 WeakPolarHBondContact OG-CD 3.45Å; S108-R113 WeakPolarHBondContact OG-CG 3.49Å; S108-E176 VanDerWaalsContact OG-CG 3.31Å; S108-E176 WeakPolarHBondContact OG-CG 3.29Å; S108-V179 VanDerWaalsContact CB-O 3.27Å; S108-V179 WeakPolarHBondContact CB-O 3.28Å; S108-V179 PolarHBondContact OG-O 3.32Å | ||
| 109 | S | 87.3 | Confident | 82.7 | Confident | 24 Ų | 24 | 56.8 Ų | 56.8 | 17% | 0.168 | 29% | 0.293 | C | S | . | . | trans | -67.8 | 157.1 | 172.7 | 68.3 | 0 | 0 | 0 | 0 | 111 | L111 C112 R113 | S109-L111 PolarHBondContact O-N 2.84Å; S109-C112 PolarHBondContact O-N 2.81Å; S109-C112 WeakPolarHBondContact OG-CB 3.39Å; S109-C112 PolarHBondContact OG-N 3.37Å; S109-R113 PolarHBondContact O-N 2.77Å | ||
| 110 | S | 88.4 | Confident | 83.3 | Confident | 79 Ų | 79 | 51.1 Ų | 51.1 | 55% | 0.552 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -58.3 | -37.1 | 173.4 | 52.7 | 0 | 0 | 0 | 0 | 112 | L114 | S110-L114 WeakPolarHBondContact O-CB 3.4Å; S110-L114 PolarHBondContact O-N 3.49Å |
| 111 | L | 91 | Very high | 84 | Confident | 80 Ų | 80 | 49.7 Ų | 49.7 | 42% | 0.419 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -70.8 | -40 | 177.5 | -65.9 | 177.7 | 0 | 0 | 0 | 112.1 | L100 S109 R113 L114 H115 | L100-L111 HydrophobicContact CB-CB 3.85Å; L100-L111 HydrophobicContact CB-CD1 4.43Å; L100-L111 HydrophobicContact CD1-CB 4.22Å; L100-L111 HydrophobicContact CD2-CB 4.42Å; L100-L111 HydrophobicContact CG-CB 4.4Å; L100-L111 WeakPolarHBondContact O-CD1 3.43Å; S109-L111 PolarHBondContact O-N 2.84Å; L111-R113 VanDerWaalsContact C-N 3.33Å; L111-R113 PolarHBondContact O-N 3.08Å; L111-L114 PolarHBondContact O-N 2.82Å; L111-H115 WeakPolarHBondContact O-CB 3.42Å; L111-H115 PolarHBondContact O-N 3.33Å |
| 112 | C | 90.7 | Very high | 85.1 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.7 | -42.2 | 174.5 | -173.8 | 0 | 0 | 0 | 0 | 111.8 | S109 H115 A116 C188 | S109-C112 PolarHBondContact O-N 2.81Å; S109-C112 WeakPolarHBondContact OG-CB 3.39Å; S109-C112 PolarHBondContact OG-N 3.37Å; C112-H115 WeakPolarHBondContact O-CB 3.25Å; C112-H115 PolarHBondContact O-N 3.23Å; C112-A116 PolarHBondContact O-N 3.47Å; C112-C188 WeakPolarHBondContact CA-SG 3.22Å; C112-C188 HydrophobicContact CB-CB 4.09Å; C112-C188 WeakPolarHBondContact CB-SG 3.09Å; C112-C188 WeakPolarHBondContact O-CB 3.29Å; C112-C188 WeakPolarHBondContact SG-CB 3.4Å; C112-C188 CovalentContact SG-SG 2.03Å; C112-C188 PolarHBondContact SG-SG 3.03Å |
| 113 | R | 93 | Very high | 86.5 | Confident | 54 Ų | 54 | 42 Ų | 42 | 20% | 0.204 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62 | -43.6 | 172.5 | -75.7 | -170.9 | -68.5 | -168.2 | -4.1 | 112.8 | S108 S109 L111 H115 A116 F117 C172 L173 V179 | S108-R113 WeakPolarHBondContact OG-CD 3.45Å; S108-R113 WeakPolarHBondContact OG-CG 3.49Å; S109-R113 PolarHBondContact O-N 2.77Å; L111-R113 VanDerWaalsContact C-N 3.33Å; L111-R113 PolarHBondContact O-N 3.08Å; R113-H115 VanDerWaalsContact C-N 3.32Å; R113-H115 PolarHBondContact O-N 3.48Å; R113-A116 PolarHBondContact O-N 3.1Å; R113-F117 VanDerWaalsContact O-CB 3.29Å; R113-F117 WeakPolarHBondContact O-CB 3.29Å; R113-F117 PolarHBondContact O-N 3.15Å; R113-C172 VanDerWaalsContact CB-O 3.28Å; R113-C172 WeakPolarHBondContact CB-O 3.2Å; R113-C172 WeakPolarHBondContact CD-O 3.48Å; R113-C172 VanDerWaalsContact CG-O 3.28Å; R113-C172 WeakPolarHBondContact CG-O 3.43Å; R113-L173 HydrophobicContact CB-CD2 4.46Å; R113-V179 HydrophobicContact CG-CB 4.2Å; R113-V179 HydrophobicContact CG-CG1 4.48Å |
| 114 | L | 93.6 | Very high | 88 | Confident | 66 Ų | 66 | 36 Ų | 36 | 35% | 0.346 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -62 | -41.6 | 175.4 | -176.9 | 63.6 | 0 | 0 | 0 | 111.6 | S110 L111 F117 T118 L173 | S110-L114 WeakPolarHBondContact O-CB 3.4Å; S110-L114 PolarHBondContact O-N 3.49Å; L111-L114 PolarHBondContact O-N 2.82Å; L114-F117 HydrophobicContact CD1-CD1 4.04Å; L114-F117 WeakPolarHBondContact O-CB 3.33Å; L114-F117 PolarHBondContact O-N 3.5Å; L114-T118 PolarHBondContact O-N 2.92Å; L114-T118 PolarHBondContact O-OG1 3.44Å; L114-L173 HydrophobicContact CB-CD2 4.32Å; L114-L173 HydrophobicContact CD1-CD2 4.19Å |
| 115 | H | 93.7 | Very high | 89.6 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.2 | -45.9 | 177.3 | -173 | -116.2 | 0 | 0 | 0 | 112.5 | L100 L111 C112 R113 T118 T119 H187 C188 | L100-H115 HydrophobicContact CD1-CB 3.82Å; L111-H115 WeakPolarHBondContact O-CB 3.42Å; L111-H115 PolarHBondContact O-N 3.33Å; C112-H115 WeakPolarHBondContact O-CB 3.25Å; C112-H115 PolarHBondContact O-N 3.23Å; R113-H115 VanDerWaalsContact C-N 3.32Å; R113-H115 PolarHBondContact O-N 3.48Å; H115-T118 PolarHBondContact O-N 3.3Å; H115-T119 WeakPolarHBondContact O-CB 3.48Å; H115-T119 PolarHBondContact O-N 2.93Å; H115-T119 PolarHBondContact O-OG1 2.9Å; H115-H187 AromaticContact CE1-CD2 3.8Å; H115-H187 AromaticContact CE1-CE1 3.24Å; H115-H187 PolarHBondContact CE1-CE1 3.43Å; H115-H187 AromaticContact CE1-ND1 3.98Å; H115-H187 AromaticContact CE1-NE2 3.08Å; H115-H187 PolarHBondContact CE1-NE2 3.08Å; H115-H187 AromaticContact ND1-CE1 3.49Å; H115-H187 PolarHBondContact ND1-CE1 3.22Å; H115-H187 AromaticContact ND1-NE2 3.81Å; H115-C188 HydrophobicContact CB-CB 4.49Å |
| 116 | A | 94.6 | Very high | 91.2 | Very high | 3 Ų | 3 | 25.6 Ų | 25.6 | 3% | 0.025 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.6 | -42.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | C112 R113 T119 C120 C172 V179 | C112-A116 PolarHBondContact O-N 3.47Å; R113-A116 PolarHBondContact O-N 3.1Å; A116-T119 PolarHBondContact O-N 3.28Å; A116-C120 PolarHBondContact O-N 3.34Å; A116-C120 PolarHBondContact O-SG 3.49Å; A116-C172 HydrophobicContact CB-CB 4.39Å; A116-V179 HydrophobicContact CB-CB 4.34Å; A116-V179 HydrophobicContact CB-CG1 3.53Å; A116-V179 HydrophobicContact CB-CG2 3.78Å |
| 117 | F | 96.2 | Very high | 92.7 | Very high | 30 Ų | 30 | 19.9 Ų | 19.9 | 13% | 0.132 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -56.5 | -49.3 | 173.6 | 162.4 | -94.2 | 0 | 0 | 0 | 112.2 | R113 L114 T119 C120 S121 V166 G169 C172 L173 | R113-F117 VanDerWaalsContact O-CB 3.29Å; R113-F117 WeakPolarHBondContact O-CB 3.29Å; R113-F117 PolarHBondContact O-N 3.15Å; L114-F117 HydrophobicContact CD1-CD1 4.04Å; L114-F117 WeakPolarHBondContact O-CB 3.33Å; L114-F117 PolarHBondContact O-N 3.5Å; F117-T119 VanDerWaalsContact C-N 3.32Å; F117-T119 PolarHBondContact O-N 3.45Å; F117-C120 PolarHBondContact O-N 3.01Å; F117-S121 WeakPolarHBondContact O-CB 3.34Å; F117-S121 PolarHBondContact O-N 2.95Å; F117-S121 PolarHBondContact O-OG 2.96Å; F117-V166 HydrophobicContact CE2-CG1 4.07Å; F117-V166 HydrophobicContact CZ-CB 4.37Å; F117-V166 HydrophobicContact CZ-CG1 3.92Å; F117-V166 HydrophobicContact CZ-CG2 4.15Å; F117-G169 WeakPolarHBondContact CD2-O 3.35Å; F117-C172 HydrophobicContact CB-CB 4.02Å; F117-L173 HydrophobicContact CB-CD1 4.33Å; F117-L173 HydrophobicContact CB-CD2 3.77Å; F117-L173 HydrophobicContact CB-CG 3.75Å; F117-L173 HydrophobicContact CD1-CD1 4.11Å; F117-L173 HydrophobicContact CD1-CG 4.44Å; F117-L173 HydrophobicContact CD2-CD1 3.63Å; F117-L173 HydrophobicContact CD2-CG 3.76Å; F117-L173 HydrophobicContact CE1-CD1 4.36Å; F117-L173 HydrophobicContact CE2-CD1 3.93Å; F117-L173 HydrophobicContact CG-CD1 3.75Å; F117-L173 HydrophobicContact CG-CD2 4.05Å; F117-L173 HydrophobicContact CG-CG 3.72Å; F117-L173 HydrophobicContact CZ-CD1 4.29Å |
| 118 | T | 95.8 | Very high | 93.7 | Very high | 23 Ų | 23 | 20.3 Ų | 20.3 | 14% | 0.141 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -64.9 | -39.7 | 179.8 | -57.3 | 0 | 0 | 0 | 0 | 110.9 | Y84 L85 L114 H115 S121 I122 | Y84-T118 HydrophobicContact CD1-CG2 3.88Å; Y84-T118 HydrophobicContact CE1-CG2 3.8Å; L85-T118 HydrophobicContact CD2-CG2 3.86Å; L85-T118 HydrophobicContact CG-CG2 4.34Å; L114-T118 PolarHBondContact O-N 2.92Å; L114-T118 PolarHBondContact O-OG1 3.44Å; H115-T118 PolarHBondContact O-N 3.3Å; T118-S121 PolarHBondContact O-N 3.09Å; T118-I122 HydrophobicContact CG2-CD1 3.68Å; T118-I122 HydrophobicContact CG2-CG1 4.19Å; T118-I122 WeakPolarHBondContact O-CB 3.25Å; T118-I122 WeakPolarHBondContact O-CG1 3.4Å; T118-I122 PolarHBondContact O-N 3.32Å |
| 119 | T | 95.5 | Very high | 94.4 | Very high | 3 Ų | 3 | 19.4 Ų | 19.4 | 2% | 0.018 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -59.4 | -50.2 | 175.2 | -57.8 | 0 | 0 | 0 | 0 | 111.4 | H115 A116 F117 S121 I122 W123 Y280 | H115-T119 WeakPolarHBondContact O-CB 3.48Å; H115-T119 PolarHBondContact O-N 2.93Å; H115-T119 PolarHBondContact O-OG1 2.9Å; A116-T119 PolarHBondContact O-N 3.28Å; F117-T119 VanDerWaalsContact C-N 3.32Å; F117-T119 PolarHBondContact O-N 3.45Å; T119-S121 VanDerWaalsContact C-N 3.33Å; T119-S121 PolarHBondContact O-N 2.87Å; T119-I122 PolarHBondContact O-N 3.23Å; T119-W123 HydrophobicContact CG2-CD2 4.16Å; T119-W123 HydrophobicContact CG2-CZ2 4.06Å; T119-W123 WeakPolarHBondContact O-CB 3.34Å; T119-W123 PolarHBondContact O-N 3.3Å; T119-Y280 WeakPolarHBondContact CG2-OH 2.87Å; T119-Y280 PolarHBondContact OG1-OH 3.25Å |
| 120 | C | 95.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -57.5 | -46.9 | 176.5 | -62.7 | 0 | 0 | 0 | 0 | 111.8 | A116 F117 S124 W190 F203 | A116-C120 PolarHBondContact O-N 3.34Å; A116-C120 PolarHBondContact O-SG 3.49Å; F117-C120 PolarHBondContact O-N 3.01Å; C120-S124 WeakPolarHBondContact O-CB 3.36Å; C120-S124 PolarHBondContact O-N 3Å; C120-S124 PolarHBondContact O-OG 3.02Å; C120-W190 WeakPolarHBondContact SG-CZ2 3.5Å; C120-W190 PolarHBondContact SG-NE1 2.86Å; C120-F203 HydrophobicContact CB-CD2 4.17Å; C120-F203 HydrophobicContact CB-CE2 3.71Å; C120-F203 HydrophobicContact CB-CZ 4.26Å; C120-F203 WeakPolarHBondContact O-CE2 3.34Å |
| 121 | S | 96.7 | Very high | 95 | Very high | 2 Ų | 2 | 15.4 Ų | 15.4 | 1% | 0.014 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -63.5 | -49.4 | -176.7 | -58.1 | 0 | 0 | 0 | 0 | 110.9 | F117 T118 T119 S124 V125 G165 | F117-S121 WeakPolarHBondContact O-CB 3.34Å; F117-S121 PolarHBondContact O-N 2.95Å; F117-S121 PolarHBondContact O-OG 2.96Å; T118-S121 PolarHBondContact O-N 3.09Å; T119-S121 VanDerWaalsContact C-N 3.33Å; T119-S121 PolarHBondContact O-N 2.87Å; S121-S124 PolarHBondContact O-N 3.39Å; S121-V125 WeakPolarHBondContact O-CB 3.28Å; S121-V125 WeakPolarHBondContact O-CG2 3.48Å; S121-V125 PolarHBondContact O-N 2.87Å; S121-G165 PolarHBondContact OG-O 3.29Å |
| 122 | I | 96.6 | Very high | 95.2 | Very high | 1 Ų | 1 | 12.4 Ų | 12.4 | 1% | 0.005 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -63.8 | -44.9 | -179.5 | -74.1 | -177.8 | 0 | 0 | 0 | 111.3 | T77 I80 A81 L85 T118 T119 V125 T126 W162 | T77-I122 HydrophobicContact CG2-CB 4.42Å; T77-I122 HydrophobicContact CG2-CG1 4.41Å; T77-I122 HydrophobicContact CG2-CG2 3.9Å; I80-I122 HydrophobicContact CB-CD1 4.22Å; I80-I122 HydrophobicContact CG2-CD1 3.69Å; A81-I122 HydrophobicContact CB-CD1 4.31Å; A81-I122 HydrophobicContact CB-CG2 3.79Å; L85-I122 HydrophobicContact CD1-CB 4.38Å; L85-I122 HydrophobicContact CD1-CD1 3.79Å; L85-I122 HydrophobicContact CD1-CG2 4.44Å; L85-I122 HydrophobicContact CG-CD1 4.27Å; T118-I122 HydrophobicContact CG2-CD1 3.68Å; T118-I122 HydrophobicContact CG2-CG1 4.19Å; T118-I122 WeakPolarHBondContact O-CB 3.25Å; T118-I122 WeakPolarHBondContact O-CG1 3.4Å; T118-I122 PolarHBondContact O-N 3.32Å; T119-I122 PolarHBondContact O-N 3.23Å; I122-V125 PolarHBondContact O-N 3.43Å; I122-T126 WeakPolarHBondContact O-CB 3.24Å; I122-T126 PolarHBondContact O-N 2.84Å; I122-T126 PolarHBondContact O-OG1 3.45Å; I122-W162 HydrophobicContact CG1-CH2 4.28Å |
| 123 | W | 96 | Very high | 95.3 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -61.2 | -47.7 | 177.4 | -74.8 | 12.6 | 0 | 0 | 0 | 110.9 | T119 V125 T126 Y127 W190 F203 I208 F258 F259 L276 A279 Y280 | T119-W123 HydrophobicContact CG2-CD2 4.16Å; T119-W123 HydrophobicContact CG2-CZ2 4.06Å; T119-W123 WeakPolarHBondContact O-CB 3.34Å; T119-W123 PolarHBondContact O-N 3.3Å; W123-V125 PolarHBondContact O-N 3.01Å; W123-T126 WeakPolarHBondContact O-CB 3.49Å; W123-T126 PolarHBondContact O-N 3.48Å; W123-Y127 VanDerWaalsContact O-CD2 3.26Å; W123-Y127 WeakPolarHBondContact O-CD2 3.43Å; W123-Y127 PolarHBondContact O-N 3.03Å; W123-Y127 VanDerWaalsContact O-N 3.1Å; W123-W190 HydrophobicContact CZ3-CH2 4.28Å; W123-F203 HydrophobicContact CB-CZ 4.13Å; W123-F203 HydrophobicContact CE3-CE1 4.14Å; W123-F203 HydrophobicContact CE3-CZ 4.17Å; W123-I208 HydrophobicContact CE3-CD1 4.41Å; W123-F258 AromaticContact CH2-CD1 3.95Å; W123-F258 HydrophobicContact CH2-CD1 3.95Å; W123-F258 AromaticContact CH2-CE1 3.88Å; W123-F258 HydrophobicContact CH2-CE1 3.88Å; W123-F258 HydrophobicContact CZ3-CD1 4.12Å; W123-F258 AromaticContact CZ3-CE1 3.91Å; W123-F258 HydrophobicContact CZ3-CE1 3.91Å; W123-F259 HydrophobicContact CE3-CZ 4.11Å; W123-F259 HydrophobicContact CZ3-CE1 4.43Å; W123-F259 HydrophobicContact CZ3-CE2 4.17Å; W123-F259 AromaticContact CZ3-CZ 3.63Å; W123-F259 HydrophobicContact CZ3-CZ 3.63Å; W123-L276 HydrophobicContact CH2-CD1 4.32Å; W123-L276 HydrophobicContact CZ2-CD1 4.46Å; W123-A279 HydrophobicContact CH2-CB 4.1Å; W123-A279 HydrophobicContact CZ2-CB 4.14Å; W123-Y280 HydrophobicContact CZ2-CE2 4.32Å |
| 124 | S | 96.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -58.6 | -49.9 | 177.3 | -56.5 | 0 | 0 | 0 | 0 | 111.7 | C120 S121 T126 Y127 Y128 F203 | C120-S124 WeakPolarHBondContact O-CB 3.36Å; C120-S124 PolarHBondContact O-N 3Å; C120-S124 PolarHBondContact O-OG 3.02Å; S121-S124 PolarHBondContact O-N 3.39Å; S124-T126 PolarHBondContact O-N 3.27Å; S124-Y127 PolarHBondContact O-N 3.49Å; S124-Y128 VanDerWaalsContact O-CD2 3.22Å; S124-Y128 WeakPolarHBondContact O-CD2 3.28Å; S124-Y128 PolarHBondContact O-N 3.43Å; S124-F203 WeakPolarHBondContact OG-CE2 3.29Å |
| 125 | V | 97.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 7.1 Ų | 7.1 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -57.9 | -41.4 | 178.5 | 170.2 | 0 | 0 | 0 | 0 | 110.8 | T77 S121 I122 W123 Y127 Y128 M129 W162 | T77-V125 HydrophobicContact CG2-CB 4.38Å; T77-V125 HydrophobicContact CG2-CG1 4Å; S121-V125 WeakPolarHBondContact O-CB 3.28Å; S121-V125 WeakPolarHBondContact O-CG2 3.48Å; S121-V125 PolarHBondContact O-N 2.87Å; I122-V125 PolarHBondContact O-N 3.43Å; W123-V125 PolarHBondContact O-N 3.01Å; V125-Y127 PolarHBondContact O-N 3.35Å; V125-Y128 PolarHBondContact O-N 3.5Å; V125-M129 HydrophobicContact CG1-CG 4.14Å; V125-M129 VanDerWaalsContact O-CB 3.29Å; V125-M129 WeakPolarHBondContact O-CB 3.43Å; V125-M129 VanDerWaalsContact O-CG 3.24Å; V125-M129 WeakPolarHBondContact O-CG 2.97Å; V125-M129 PolarHBondContact O-N 2.83Å; V125-W162 HydrophobicContact CG1-CD2 4.32Å; V125-W162 HydrophobicContact CG1-CZ2 4.25Å; V125-W162 HydrophobicContact CG2-CB 4.48Å; V125-W162 HydrophobicContact CG2-CD2 3.71Å; V125-W162 HydrophobicContact CG2-CE3 3.8Å; V125-W162 HydrophobicContact CG2-CG 4.03Å; V125-W162 HydrophobicContact CG2-CZ3 4.28Å |
| 126 | T | 96.3 | Very high | 95.1 | Very high | 1 Ų | 1 | 7.4 Ų | 7.4 | 1% | 0.006 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -58.5 | -49.1 | 177.7 | -61.2 | 0 | 0 | 0 | 0 | 111.2 | L74 I122 W123 S124 M129 T130 Q282 N283 L286 | L74-T126 HydrophobicContact CD1-CG2 3.9Å; I122-T126 WeakPolarHBondContact O-CB 3.24Å; I122-T126 PolarHBondContact O-N 2.84Å; I122-T126 PolarHBondContact O-OG1 3.45Å; W123-T126 WeakPolarHBondContact O-CB 3.49Å; W123-T126 PolarHBondContact O-N 3.48Å; S124-T126 PolarHBondContact O-N 3.27Å; T126-M129 PolarHBondContact O-N 3.4Å; T126-T130 WeakPolarHBondContact O-CG2 3.44Å; T126-T130 PolarHBondContact O-N 2.98Å; T126-T130 PolarHBondContact O-OG1 3.38Å; T126-Q282 HydrophobicContact CG2-CG 4.3Å; T126-N283 PolarHBondContact OG1-OD1 3.47Å; T126-L286 HydrophobicContact CG2-CD1 3.53Å |
| 127 | Y | 96 | Very high | 94.8 | Very high | 1 Ų | 1 | 8.3 Ų | 8.3 | 0% | 0.004 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -68.9 | -37.1 | 178.6 | -79.6 | -78.9 | 0 | 0 | 0 | 113.5 | W123 S124 V125 T130 T131 I208 P211 T212 H252 Q255 | W123-Y127 VanDerWaalsContact O-CD2 3.26Å; W123-Y127 WeakPolarHBondContact O-CD2 3.43Å; W123-Y127 PolarHBondContact O-N 3.03Å; W123-Y127 VanDerWaalsContact O-N 3.1Å; S124-Y127 PolarHBondContact O-N 3.49Å; V125-Y127 PolarHBondContact O-N 3.35Å; Y127-T130 WeakPolarHBondContact CA-OG1 3.46Å; Y127-T130 PolarHBondContact O-N 2.84Å; Y127-T130 PolarHBondContact O-OG1 2.84Å; Y127-T131 WeakPolarHBondContact O-CB 3.5Å; Y127-T131 PolarHBondContact O-N 2.9Å; Y127-T131 PolarHBondContact O-OG1 3.27Å; Y127-I208 HydrophobicContact CD2-CB 4.5Å; Y127-I208 HydrophobicContact CD2-CG1 4.08Å; Y127-I208 HydrophobicContact CD2-CG2 4.39Å; Y127-I208 HydrophobicContact CE1-CG2 4.12Å; Y127-I208 HydrophobicContact CE2-CB 4.4Å; Y127-I208 HydrophobicContact CE2-CD1 4.42Å; Y127-I208 HydrophobicContact CE2-CG1 3.99Å; Y127-I208 HydrophobicContact CE2-CG2 3.92Å; Y127-P211 HydrophobicContact CG-CG 4.45Å; Y127-T212 VanDerWaalsContact CD1-OG1 3.29Å; Y127-T212 WeakPolarHBondContact CD1-OG1 3.22Å; Y127-T212 WeakPolarHBondContact CE1-OG1 3.42Å; Y127-H252 AromaticContact CD1-CD2 3.72Å; Y127-H252 HydrophobicContact CE1-CB 4.47Å; Y127-H252 AromaticContact CE1-CD2 3.54Å; Y127-H252 PolarHBondContact OH-O 3.49Å; Y127-Q255 VanDerWaalsContact CE2-OE1 3.26Å; Y127-Q255 PolarHBondContact OH-OE1 3.36Å |
| 128 | Y | 96.4 | Very high | 94.6 | Very high | 39 Ų | 39 | 8.5 Ų | 8.5 | 15% | 0.153 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -67.7 | -38.4 | 174.2 | -81.1 | -69.3 | 0 | 0 | 0 | 111.7 | S124 V125 T131 C132 I164 L168 L206 P211 | S124-Y128 VanDerWaalsContact O-CD2 3.22Å; S124-Y128 WeakPolarHBondContact O-CD2 3.28Å; S124-Y128 PolarHBondContact O-N 3.43Å; V125-Y128 PolarHBondContact O-N 3.5Å; Y128-T131 WeakPolarHBondContact O-CB 3.48Å; Y128-T131 PolarHBondContact O-N 3.32Å; Y128-C132 PolarHBondContact O-N 2.56Å; Y128-C132 PolarHBondContact O-SG 3.14Å; Y128-I164 HydrophobicContact CD2-CG2 4.2Å; Y128-I164 HydrophobicContact CE2-CB 4.43Å; Y128-I164 HydrophobicContact CE2-CG2 3.48Å; Y128-I164 VanDerWaalsContact CE2-CG2 3.48Å; Y128-L168 HydrophobicContact CE2-CD1 4.34Å; Y128-L206 PolarHBondContact OH-O 2.7Å; Y128-L206 VanDerWaalsContact OH-O 3.08Å; Y128-P211 HydrophobicContact CD1-CB 4.25Å; Y128-P211 HydrophobicContact CE1-CB 4.35Å |
| 129 | M | 95.1 | Very high | 94.3 | Very high | 1 Ų | 1 | 7.8 Ų | 7.8 | 1% | 0.005 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -61.5 | -45.9 | 173.1 | -78.4 | -62 | 115.5 | 0 | 0 | 111.8 | F70 H73 L74 V125 T126 T131 C132 I133 C158 S161 | F70-M129 HydrophobicContact CB-SD 4.17Å; F70-M129 HydrophobicContact CD1-CE 4.25Å; F70-M129 HydrophobicContact CD1-SD 3.96Å; H73-M129 HydrophobicContact CB-SD 3.99Å; L74-M129 HydrophobicContact CB-CB 4.26Å; L74-M129 HydrophobicContact CB-CG 4.48Å; L74-M129 HydrophobicContact CD1-CB 4.13Å; V125-M129 HydrophobicContact CG1-CG 4.14Å; V125-M129 VanDerWaalsContact O-CB 3.29Å; V125-M129 WeakPolarHBondContact O-CB 3.43Å; V125-M129 VanDerWaalsContact O-CG 3.24Å; V125-M129 WeakPolarHBondContact O-CG 2.97Å; V125-M129 PolarHBondContact O-N 2.83Å; T126-M129 PolarHBondContact O-N 3.4Å; M129-T131 VanDerWaalsContact C-N 3.26Å; M129-T131 PolarHBondContact O-N 2.95Å; M129-C132 PolarHBondContact O-N 3.31Å; M129-I133 VanDerWaalsContact O-CG1 3.28Å; M129-I133 WeakPolarHBondContact O-CG1 3.41Å; M129-I133 PolarHBondContact O-N 3.48Å; M129-C158 HydrophobicContact CE-CB 4.06Å; M129-S161 WeakPolarHBondContact CE-OG 3.24Å |
| 130 | T | 94.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -62.2 | -36.4 | 176.1 | 55.7 | 0 | 0 | 0 | 0 | 111.7 | T126 Y127 I133 A134 H252 L286 Y290 | T126-T130 WeakPolarHBondContact O-CG2 3.44Å; T126-T130 PolarHBondContact O-N 2.98Å; T126-T130 PolarHBondContact O-OG1 3.38Å; Y127-T130 WeakPolarHBondContact CA-OG1 3.46Å; Y127-T130 PolarHBondContact O-N 2.84Å; Y127-T130 PolarHBondContact O-OG1 2.84Å; T130-I133 PolarHBondContact O-N 3.2Å; T130-A134 WeakPolarHBondContact O-CB 3.23Å; T130-A134 PolarHBondContact O-N 2.94Å; T130-H252 PolarHBondContact OG1-NE2 3.37Å; T130-L286 HydrophobicContact CG2-CD1 3.57Å; T130-L286 HydrophobicContact CG2-CD2 3.89Å; T130-L286 HydrophobicContact CG2-CG 4.38Å; T130-Y290 HydrophobicContact CG2-CE2 4.39Å |
| 131 | T | 94.9 | Very high | 93.2 | Very high | 20 Ų | 20 | 13.7 Ų | 13.7 | 12% | 0.123 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -63 | -45.5 | 173.9 | -53.7 | 0 | 0 | 0 | 0 | 111.7 | Y127 Y128 M129 I133 A134 G135 P211 L214 T215 | Y127-T131 WeakPolarHBondContact O-CB 3.5Å; Y127-T131 PolarHBondContact O-N 2.9Å; Y127-T131 PolarHBondContact O-OG1 3.27Å; Y128-T131 WeakPolarHBondContact O-CB 3.48Å; Y128-T131 PolarHBondContact O-N 3.32Å; M129-T131 VanDerWaalsContact C-N 3.26Å; M129-T131 PolarHBondContact O-N 2.95Å; T131-I133 PolarHBondContact O-N 2.84Å; T131-A134 PolarHBondContact O-N 3.21Å; T131-G135 PolarHBondContact O-N 3.4Å; T131-P211 WeakPolarHBondContact OG1-CA 3.4Å; T131-P211 WeakPolarHBondContact OG1-CB 3.32Å; T131-P211 PolarHBondContact OG1-O 3.48Å; T131-L214 HydrophobicContact CG2-CB 3.66Å; T131-L214 HydrophobicContact CG2-CD1 4.23Å; T131-T215 WeakPolarHBondContact CA-OG1 3.31Å; T131-T215 PolarHBondContact N-OG1 2.8Å; T131-T215 PolarHBondContact OG1-OG1 3.43Å |
| 132 | C | 93.9 | Very high | 92.8 | Very high | 17 Ų | 17 | 15.5 Ų | 15.5 | 12% | 0.115 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -61.7 | -44.2 | 176.5 | -66.8 | 0 | 0 | 0 | 0 | 111.7 | F70 Y128 M129 G135 V136 I157 | F70-C132 HydrophobicContact CD1-CB 3.67Å; F70-C132 HydrophobicContact CD2-CB 4.21Å; F70-C132 HydrophobicContact CE1-CB 3.79Å; F70-C132 HydrophobicContact CE2-CB 4.3Å; F70-C132 HydrophobicContact CG-CB 3.91Å; F70-C132 HydrophobicContact CZ-CB 4.11Å; Y128-C132 PolarHBondContact O-N 2.56Å; Y128-C132 PolarHBondContact O-SG 3.14Å; M129-C132 PolarHBondContact O-N 3.31Å; C132-G135 PolarHBondContact O-N 3.25Å; C132-V136 WeakPolarHBondContact O-CG2 3.37Å; C132-V136 PolarHBondContact O-N 2.91Å; C132-I157 VanDerWaalsContact SG-CG2 3.52Å |
| 133 | I | 92.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.7 | -48 | 176.6 | -64.7 | 162.2 | 0 | 0 | 0 | 110.4 | F70 I71 L74 M129 T130 T131 G135 V136 H137 Y290 | F70-I133 HydrophobicContact CB-CD1 4.21Å; F70-I133 HydrophobicContact CB-CG1 3.52Å; F70-I133 HydrophobicContact CG-CG1 4.5Å; I71-I133 HydrophobicContact CG1-CD1 3.76Å; I71-I133 HydrophobicContact CG1-CG1 4.13Å; L74-I133 HydrophobicContact CD2-CD1 3.99Å; M129-I133 VanDerWaalsContact O-CG1 3.28Å; M129-I133 WeakPolarHBondContact O-CG1 3.41Å; M129-I133 PolarHBondContact O-N 3.48Å; T130-I133 PolarHBondContact O-N 3.2Å; T131-I133 PolarHBondContact O-N 2.84Å; I133-G135 VanDerWaalsContact C-N 3.33Å; I133-G135 PolarHBondContact O-N 3.29Å; I133-V136 PolarHBondContact O-N 3.38Å; I133-H137 WeakPolarHBondContact CG2-CE1 3.39Å; I133-H137 VanDerWaalsContact O-CG 3.3Å; I133-H137 PolarHBondContact O-N 2.79Å; I133-Y290 HydrophobicContact CD1-CD2 4.31Å; I133-Y290 HydrophobicContact CD1-CE1 4.3Å; I133-Y290 HydrophobicContact CD1-CE2 3.77Å; I133-Y290 HydrophobicContact CG2-CD1 4.38Å; I133-Y290 HydrophobicContact CG2-CE1 3.55Å |
| 134 | A | 93 | Very high | 91.6 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.2 | -39.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | T130 T131 H137 L138 T215 Y219 | T130-A134 WeakPolarHBondContact O-CB 3.23Å; T130-A134 PolarHBondContact O-N 2.94Å; T131-A134 PolarHBondContact O-N 3.21Å; A134-H137 PolarHBondContact O-N 3.49Å; A134-L138 WeakPolarHBondContact O-CB 3.37Å; A134-L138 PolarHBondContact O-N 3.3Å; A134-T215 HydrophobicContact CB-CG2 3.89Å; A134-Y219 HydrophobicContact CB-CD2 3.88Å; A134-Y219 HydrophobicContact CB-CE1 4.16Å; A134-Y219 HydrophobicContact CB-CE2 3.45Å; A134-Y219 VanDerWaalsContact CB-CE2 3.45Å; A134-Y219 HydrophobicContact CB-CG 4.39Å |
| 135 | G | 92.1 | Very high | 90.9 | Very high | 8 Ų | 8 | 35.6 Ų | 35.6 | 8% | 0.082 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.2 | -46.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | T131 C132 I133 L138 L139 | T131-G135 PolarHBondContact O-N 3.4Å; C132-G135 PolarHBondContact O-N 3.25Å; I133-G135 VanDerWaalsContact C-N 3.33Å; I133-G135 PolarHBondContact O-N 3.29Å; G135-L138 PolarHBondContact O-N 3.07Å; G135-L139 WeakPolarHBondContact O-CG 3.39Å; G135-L139 PolarHBondContact O-N 3.32Å |
| 136 | V | 91 | Very high | 90 | Very high | 7 Ų | 7 | 37 Ų | 37 | 4% | 0.042 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.7 | -41.6 | 175.8 | 174.2 | 0 | 0 | 0 | 0 | 111.6 | V66 F70 C132 I133 L139 T140 Y146 | V66-V136 HydrophobicContact CB-CG1 4.32Å; V66-V136 HydrophobicContact CG1-CG2 4.12Å; F70-V136 HydrophobicContact CD2-CG2 4.1Å; F70-V136 HydrophobicContact CE2-CG2 3.7Å; C132-V136 WeakPolarHBondContact O-CG2 3.37Å; C132-V136 PolarHBondContact O-N 2.91Å; I133-V136 PolarHBondContact O-N 3.38Å; V136-L139 PolarHBondContact O-N 2.92Å; V136-T140 WeakPolarHBondContact O-CB 3.32Å; V136-T140 PolarHBondContact O-N 3.42Å; V136-T140 PolarHBondContact O-OG1 2.95Å; V136-Y146 HydrophobicContact CG2-CD2 4.04Å; V136-Y146 HydrophobicContact CG2-CE2 4.03Å |
| 137 | H | 89.3 | Confident | 89.2 | Confident | 22 Ų | 22 | 42.8 Ų | 42.8 | 10% | 0.102 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.6 | -45.4 | 175 | -69 | 165.9 | 0 | 0 | 0 | 111.7 | I133 A134 L139 T140 F141 Y219 | I133-H137 WeakPolarHBondContact CG2-CE1 3.39Å; I133-H137 VanDerWaalsContact O-CG 3.3Å; I133-H137 PolarHBondContact O-N 2.79Å; A134-H137 PolarHBondContact O-N 3.49Å; H137-L139 PolarHBondContact O-N 3.22Å; H137-T140 PolarHBondContact O-N 2.96Å; H137-F141 WeakPolarHBondContact O-CD2 3.45Å; H137-F141 PolarHBondContact O-N 3.1Å; H137-Y219 HydrophobicContact CB-CE1 4.19Å; H137-Y219 AromaticContact ND1-CE1 3.63Å; H137-Y219 AromaticContact ND1-CZ 3.88Å; H137-Y219 PolarHBondContact ND1-OH 3.37Å |
| 138 | L | 90.9 | Very high | 88.2 | Confident | 33 Ų | 33 | 49.5 Ų | 49.5 | 17% | 0.173 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -57.1 | -48.2 | 175.2 | 176.1 | 63.8 | 0 | 0 | 0 | 111.7 | A134 G135 T140 F141 A142 R221 V222 I225 | A134-L138 WeakPolarHBondContact O-CB 3.37Å; A134-L138 PolarHBondContact O-N 3.3Å; G135-L138 PolarHBondContact O-N 3.07Å; L138-T140 VanDerWaalsContact C-N 3.35Å; L138-T140 PolarHBondContact O-N 3.2Å; L138-F141 PolarHBondContact O-N 3.33Å; L138-A142 VanDerWaalsContact O-CB 3.22Å; L138-A142 WeakPolarHBondContact O-CB 3.17Å; L138-A142 PolarHBondContact O-N 3.15Å; L138-R221 HydrophobicContact CD1-CB 3.59Å; L138-V222 HydrophobicContact CB-CG2 4.16Å; L138-V222 HydrophobicContact CD1-CG2 4.11Å; L138-I225 HydrophobicContact CD1-CD1 4.39Å |
| 139 | L | 89.7 | Confident | 87 | Confident | 9 Ų | 9 | 52.9 Ų | 52.9 | 5% | 0.047 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.2 | -43.6 | 178.6 | -70.9 | 174.6 | 0 | 0 | 0 | 112.2 | G135 V136 H137 F141 A142 R143 I144 Y146 L149 F150 | G135-L139 WeakPolarHBondContact O-CG 3.39Å; G135-L139 PolarHBondContact O-N 3.32Å; V136-L139 PolarHBondContact O-N 2.92Å; H137-L139 PolarHBondContact O-N 3.22Å; L139-F141 PolarHBondContact O-N 2.9Å; L139-A142 CarbonylContact O-C 3.53Å; L139-A142 PolarHBondContact O-N 2.76Å; L139-R143 PolarHBondContact O-N 2.98Å; L139-I144 HydrophobicContact CD2-CB 3.71Å; L139-I144 HydrophobicContact CD2-CD1 4.33Å; L139-I144 HydrophobicContact CD2-CG2 3.67Å; L139-I144 PolarHBondContact O-N 3.41Å; L139-Y146 HydrophobicContact CD1-CD2 4.49Å; L139-L149 HydrophobicContact CD1-CB 3.86Å; L139-L149 HydrophobicContact CD1-CD2 3.84Å; L139-L149 HydrophobicContact CD1-CG 4.48Å; L139-L149 HydrophobicContact CD2-CB 3.94Å; L139-L149 HydrophobicContact CD2-CD2 3.93Å; L139-L149 HydrophobicContact CD2-CG 4.39Å; L139-L149 HydrophobicContact CG-CD2 4.14Å; L139-F150 HydrophobicContact CD1-CD2 3.85Å; L139-F150 HydrophobicContact CD1-CE2 3.64Å |
| 140 | T | 85.2 | Confident | 86.1 | Confident | 84 Ų | 84 | 55.8 Ų | 55.8 | 52% | 0.515 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.5 | -46.7 | 178.8 | -55.1 | 0 | 0 | 0 | 0 | 110.7 | V136 H137 L138 R143 | V136-T140 WeakPolarHBondContact O-CB 3.32Å; V136-T140 PolarHBondContact O-N 3.42Å; V136-T140 PolarHBondContact O-OG1 2.95Å; H137-T140 PolarHBondContact O-N 2.96Å; L138-T140 VanDerWaalsContact C-N 3.35Å; L138-T140 PolarHBondContact O-N 3.2Å; T140-R143 PolarHBondContact O-N 2.85Å |
| 141 | F | 84.6 | Confident | 85.4 | Confident | 42 Ų | 42 | 58.7 Ų | 58.7 | 18% | 0.184 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -74.4 | -29.9 | 178.9 | -72.7 | -60.3 | 0 | 0 | 0 | 113.8 | H137 L138 L139 R143 V222 I225 F226 F233 L238 | H137-F141 WeakPolarHBondContact O-CD2 3.45Å; H137-F141 PolarHBondContact O-N 3.1Å; L138-F141 PolarHBondContact O-N 3.33Å; L139-F141 PolarHBondContact O-N 2.9Å; F141-R143 PolarHBondContact O-N 3.49Å; F141-V222 HydrophobicContact CD2-CB 4.47Å; F141-V222 HydrophobicContact CD2-CG1 3.57Å; F141-V222 HydrophobicContact CD2-CG2 4.04Å; F141-V222 HydrophobicContact CE2-CG1 3.95Å; F141-V222 HydrophobicContact CG-CG1 4.27Å; F141-I225 HydrophobicContact CB-CD1 4.4Å; F141-F226 AromaticContact CD1-CE1 3.65Å; F141-F226 HydrophobicContact CD1-CE1 3.65Å; F141-F226 HydrophobicContact CD1-CZ 4.2Å; F141-F226 HydrophobicContact CD2-CE1 4.33Å; F141-F226 HydrophobicContact CD2-CZ 4.25Å; F141-F226 AromaticContact CE1-CE1 3.53Å; F141-F226 HydrophobicContact CE1-CE1 3.53Å; F141-F226 AromaticContact CE1-CZ 3.74Å; F141-F226 HydrophobicContact CE1-CZ 3.74Å; F141-F226 HydrophobicContact CE2-CE1 4.22Å; F141-F226 AromaticContact CE2-CZ 3.8Å; F141-F226 HydrophobicContact CE2-CZ 3.8Å; F141-F226 HydrophobicContact CG-CE1 4.08Å; F141-F226 HydrophobicContact CG-CZ 4.45Å; F141-F226 AromaticContact CZ-CE1 3.84Å; F141-F226 HydrophobicContact CZ-CE1 3.84Å; F141-F226 AromaticContact CZ-CZ 3.53Å; F141-F226 HydrophobicContact CZ-CZ 3.53Å; F141-F233 AromaticContact CD1-CE1 3.61Å; F141-F233 HydrophobicContact CD1-CE1 3.61Å; F141-F233 AromaticContact CD1-CZ 3.99Å; F141-F233 HydrophobicContact CD1-CZ 3.99Å; F141-F233 HydrophobicContact CE1-CD1 4.37Å; F141-F233 AromaticContact CE1-CE1 3.64Å; F141-F233 HydrophobicContact CE1-CE1 3.64Å; F141-F233 HydrophobicContact CE1-CZ 4.44Å; F141-L238 HydrophobicContact CE1-CD1 4.13Å |
| 142 | A | 86.3 | Confident | 85.1 | Confident | 41 Ų | 41 | 61.5 Ų | 61.5 | 34% | 0.339 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -76.9 | -4.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | L138 L139 I144 | L138-A142 VanDerWaalsContact O-CB 3.22Å; L138-A142 WeakPolarHBondContact O-CB 3.17Å; L138-A142 PolarHBondContact O-N 3.15Å; L139-A142 CarbonylContact O-C 3.53Å; L139-A142 PolarHBondContact O-N 2.76Å; A142-I144 HydrophobicContact CB-CD1 3.86Å; A142-I144 HydrophobicContact CB-CG1 3.95Å; A142-I144 PolarHBondContact O-N 3.17Å |
| 143 | R | 84.9 | Confident | 84.9 | Confident | 211 Ų | 211 | 65.6 Ų | 65.6 | 80% | 0.796 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 32.7 | -173.8 | -56.6 | -179.9 | -178.2 | 171.1 | -0.2 | 113.3 | L139 T140 F141 | L139-R143 PolarHBondContact O-N 2.98Å; T140-R143 PolarHBondContact O-N 2.85Å; F141-R143 PolarHBondContact O-N 3.49Å |
| 144 | I | 83.2 | Confident | 84.8 | Confident | 77 Ų | 77 | 66 Ų | 66 | 40% | 0.395 | 34% | 0.341 | S | S | . | . | trans | -96 | 131.2 | 175.2 | -59.8 | 172.5 | 0 | 0 | 0 | 107.7 | L139 A142 Q148 | L139-I144 HydrophobicContact CD2-CB 3.71Å; L139-I144 HydrophobicContact CD2-CD1 4.33Å; L139-I144 HydrophobicContact CD2-CG2 3.67Å; L139-I144 PolarHBondContact O-N 3.41Å; A142-I144 HydrophobicContact CB-CD1 3.86Å; A142-I144 HydrophobicContact CB-CG1 3.95Å; A142-I144 PolarHBondContact O-N 3.17Å; I144-Q148 HydrophobicContact CG2-CB 4.26Å | ||
| 145 | H | 82.1 | Confident | 84.7 | Confident | 135 Ų | 135 | 68.4 Ų | 68.4 | 63% | 0.625 | 36% | 0.358 | S | S | * | . | trans | -68.8 | 136.2 | 179.4 | -67.7 | -68 | 0 | 0 | 0 | 110.3 | D147 Q148 | H145-D147 PolarHBondContact O-N 3.35Å; H145-Q148 HydrophobicContact CB-CG 4.15Å; H145-Q148 WeakPolarHBondContact O-CB 3.33Å; H145-Q148 PolarHBondContact O-N 2.97Å | ||
| 146 | Y | 78.7 | Confident | 84.7 | Confident | 28 Ų | 28 | 71.7 Ų | 71.7 | 11% | 0.11 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -51.5 | -41.8 | -178.6 | 172.4 | -90.6 | 0 | 0 | 0 | 113 | V66 F70 V136 L139 Q148 L149 F150 L152 P154 I157 | V66-Y146 HydrophobicContact CG1-CD2 3.74Å; V66-Y146 HydrophobicContact CG1-CE1 4.47Å; V66-Y146 HydrophobicContact CG1-CE2 3.63Å; V66-Y146 HydrophobicContact CG1-CG 4.2Å; V66-Y146 HydrophobicContact CG2-CG 4.42Å; F70-Y146 HydrophobicContact CE2-CE2 4.46Å; V136-Y146 HydrophobicContact CG2-CD2 4.04Å; V136-Y146 HydrophobicContact CG2-CE2 4.03Å; L139-Y146 HydrophobicContact CD1-CD2 4.49Å; Y146-Q148 PolarHBondContact O-N 2.83Å; Y146-Q148 VanDerWaalsContact O-N 3.15Å; Y146-L149 PolarHBondContact O-N 3.44Å; Y146-F150 AromaticContact CD2-CD2 3.63Å; Y146-F150 HydrophobicContact CD2-CD2 3.63Å; Y146-F150 HydrophobicContact CD2-CE2 4.31Å; Y146-F150 HydrophobicContact CE1-CB 4.17Å; Y146-F150 HydrophobicContact CE2-CB 4.01Å; Y146-F150 AromaticContact CE2-CD2 3.33Å; Y146-F150 HydrophobicContact CE2-CD2 3.33Å; Y146-F150 HydrophobicContact CE2-CE2 4.06Å; Y146-F150 AromaticContact CE2-CG 3.92Å; Y146-F150 HydrophobicContact CE2-CG 3.92Å; Y146-F150 PolarHBondContact O-N 2.91Å; Y146-F150 VanDerWaalsContact O-N 3.13Å; Y146-L152 VanDerWaalsContact CE1-O 3.23Å; Y146-L152 WeakPolarHBondContact CE1-O 3.47Å; Y146-L152 PolarHBondContact OH-O 3.37Å; Y146-P154 HydrophobicContact CE1-CG 4.21Å; Y146-I157 WeakPolarHBondContact OH-CD1 3.37Å |
| 147 | D | 79.5 | Confident | 84.8 | Confident | 124 Ų | 124 | 72.3 Ų | 72.3 | 66% | 0.663 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -61.9 | -22.8 | -179.2 | -61.2 | -32 | 0 | 0 | 0 | 113.1 | H145 G151 | H145-D147 PolarHBondContact O-N 3.35Å; D147-G151 WeakPolarHBondContact O-CA 3.47Å; D147-G151 PolarHBondContact O-N 3.32Å |
| 148 | Q | 74.2 | Confident | 85.1 | Confident | 141 Ų | 141 | 71.3 Ų | 71.3 | 66% | 0.659 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -76.7 | -29.9 | 179.4 | -64.5 | 177.2 | -40.9 | 0 | 0 | 113.2 | I144 H145 Y146 | I144-Q148 HydrophobicContact CG2-CB 4.26Å; H145-Q148 HydrophobicContact CB-CG 4.15Å; H145-Q148 WeakPolarHBondContact O-CB 3.33Å; H145-Q148 PolarHBondContact O-N 2.97Å; Y146-Q148 PolarHBondContact O-N 2.83Å; Y146-Q148 VanDerWaalsContact O-N 3.15Å |
| 149 | L | 71.8 | Confident | 85.3 | Confident | 111 Ų | 111 | 75 Ų | 75 | 58% | 0.581 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -95.9 | -49.3 | -178.8 | -167.9 | 78.2 | 0 | 0 | 0 | 111.9 | L139 Y146 | L139-L149 HydrophobicContact CD1-CB 3.86Å; L139-L149 HydrophobicContact CD1-CD2 3.84Å; L139-L149 HydrophobicContact CD1-CG 4.48Å; L139-L149 HydrophobicContact CD2-CB 3.94Å; L139-L149 HydrophobicContact CD2-CD2 3.93Å; L139-L149 HydrophobicContact CD2-CG 4.39Å; L139-L149 HydrophobicContact CG-CD2 4.14Å; Y146-L149 PolarHBondContact O-N 3.44Å |
| 150 | F | 74.6 | Confident | 85.5 | Confident | 62 Ų | 62 | 78.1 Ų | 78.1 | 27% | 0.272 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -32.7 | -170.6 | -71.4 | -69.1 | 0 | 0 | 0 | 112.9 | L139 Y146 L152 I157 | L139-F150 HydrophobicContact CD1-CD2 3.85Å; L139-F150 HydrophobicContact CD1-CE2 3.64Å; Y146-F150 AromaticContact CD2-CD2 3.63Å; Y146-F150 HydrophobicContact CD2-CD2 3.63Å; Y146-F150 HydrophobicContact CD2-CE2 4.31Å; Y146-F150 HydrophobicContact CE1-CB 4.17Å; Y146-F150 HydrophobicContact CE2-CB 4.01Å; Y146-F150 AromaticContact CE2-CD2 3.33Å; Y146-F150 HydrophobicContact CE2-CD2 3.33Å; Y146-F150 HydrophobicContact CE2-CE2 4.06Å; Y146-F150 AromaticContact CE2-CG 3.92Å; Y146-F150 HydrophobicContact CE2-CG 3.92Å; Y146-F150 PolarHBondContact O-N 2.91Å; Y146-F150 VanDerWaalsContact O-N 3.13Å; F150-L152 WeakPolarHBondContact O-CG 3.36Å; F150-L152 PolarHBondContact O-N 3.39Å; F150-I157 HydrophobicContact CB-CD1 3.91Å; F150-I157 HydrophobicContact CD1-CD1 3.78Å; F150-I157 HydrophobicContact CG-CD1 3.93Å |
| 151 | G | 80.7 | Confident | 86 | Confident | 61 Ų | 61 | 74.4 Ų | 74.4 | 63% | 0.629 | 38% | 0.384 | S | S | * | . | trans | 56.5 | -0.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | D147 | D147-G151 WeakPolarHBondContact O-CA 3.47Å; D147-G151 PolarHBondContact O-N 3.32Å | ||
| 152 | L | 88.4 | Confident | 86.6 | Confident | 78 Ų | 78 | 76 Ų | 76 | 41% | 0.408 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -119.4 | 139.5 | -172 | -72.2 | 171.3 | 0 | 0 | 0 | 109.4 | Y146 F150 I157 L160 | Y146-L152 VanDerWaalsContact CE1-O 3.23Å; Y146-L152 WeakPolarHBondContact CE1-O 3.47Å; Y146-L152 PolarHBondContact OH-O 3.37Å; F150-L152 WeakPolarHBondContact O-CG 3.36Å; F150-L152 PolarHBondContact O-N 3.39Å; L152-I157 HydrophobicContact CB-CD1 4.27Å; L152-I157 HydrophobicContact CB-CG1 4.03Å; L152-L160 HydrophobicContact CD1-CD1 4.4Å |
| 153 | H | 90.5 | Very high | 87.1 | Confident | 103 Ų | 103 | 77.6 Ų | 77.6 | 48% | 0.477 | 39% | 0.394 | S | S | . | . | trans | -59.4 | 138.1 | 175.8 | -171.4 | -94 | 0 | 0 | 0 | 110.7 | S155 I156 I157 | H153-S155 PolarHBondContact CE1-OG 3.3Å; H153-S155 PolarHBondContact ND1-N 3.38Å; H153-S155 PolarHBondContact ND1-OG 2.89Å; H153-S155 PolarHBondContact O-N 3.35Å; H153-S155 VanDerWaalsContact O-N 3.08Å; H153-I156 HydrophobicContact CB-CD1 4.11Å; H153-I156 HydrophobicContact CB-CG1 4.28Å; H153-I156 WeakPolarHBondContact O-CB 3.39Å; H153-I156 PolarHBondContact O-N 3.18Å; H153-I157 PolarHBondContact O-N 2.65Å | ||
| 154 | P | 89.7 | Confident | 87.7 | Confident | 9 Ų | 9 | 70.7 Ų | 70.7 | 6% | 0.058 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -54.5 | -33.8 | -174.9 | -28.9 | 35.6 | 0 | 0 | 0 | 114.4 | V66 H69 F70 Y146 I156 I157 C158 | V66-P154 HydrophobicContact CG1-CB 4.23Å; V66-P154 HydrophobicContact CG1-CG 3.53Å; H69-P154 HydrophobicContact CB-CB 3.86Å; F70-P154 HydrophobicContact CE1-CB 4.36Å; F70-P154 HydrophobicContact CE2-CB 4.2Å; F70-P154 HydrophobicContact CZ-CB 3.83Å; Y146-P154 HydrophobicContact CE1-CG 4.21Å; P154-I156 VanDerWaalsContact C-N 3.32Å; P154-I156 PolarHBondContact O-N 3.48Å; P154-I157 PolarHBondContact O-N 3Å; P154-C158 PolarHBondContact O-N 2.92Å; P154-C158 PolarHBondContact O-SG 3.28Å |
| 155 | S | 91 | Very high | 88.3 | Confident | 51 Ų | 51 | 67 Ų | 67 | 36% | 0.357 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65.1 | -33.7 | 176.7 | 66.7 | 0 | 0 | 0 | 0 | 113.2 | H153 C158 L159 | H153-S155 PolarHBondContact CE1-OG 3.3Å; H153-S155 PolarHBondContact ND1-N 3.38Å; H153-S155 PolarHBondContact ND1-OG 2.89Å; H153-S155 PolarHBondContact O-N 3.35Å; H153-S155 VanDerWaalsContact O-N 3.08Å; S155-C158 WeakPolarHBondContact O-CB 3.19Å; S155-C158 PolarHBondContact O-N 3.01Å; S155-L159 PolarHBondContact O-N 3.29Å |
| 156 | I | 93.5 | Very high | 89.1 | Confident | 77 Ų | 77 | 63.2 Ų | 63.2 | 40% | 0.395 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -67.9 | -43.6 | 177.2 | -61 | 174.2 | 0 | 0 | 0 | 108.9 | H153 P154 C158 L159 L160 | H153-I156 HydrophobicContact CB-CD1 4.11Å; H153-I156 HydrophobicContact CB-CG1 4.28Å; H153-I156 WeakPolarHBondContact O-CB 3.39Å; H153-I156 PolarHBondContact O-N 3.18Å; P154-I156 VanDerWaalsContact C-N 3.32Å; P154-I156 PolarHBondContact O-N 3.48Å; I156-C158 VanDerWaalsContact C-N 3.29Å; I156-C158 PolarHBondContact O-N 2.73Å; I156-L159 PolarHBondContact O-N 3.05Å; I156-L160 HydrophobicContact CG2-CD1 4.17Å; I156-L160 HydrophobicContact CG2-CG 4.37Å; I156-L160 VanDerWaalsContact O-CG 3.32Å; I156-L160 WeakPolarHBondContact O-CG 3.43Å; I156-L160 PolarHBondContact O-N 3.37Å |
| 157 | I | 93.1 | Very high | 89.9 | Confident | 19 Ų | 19 | 65.2 Ų | 65.2 | 10% | 0.097 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62 | -39.5 | 175.6 | -58 | -174.4 | 0 | 0 | 0 | 110.9 | F70 C132 Y146 F150 L152 H153 P154 L159 L160 S161 | F70-I157 HydrophobicContact CE1-CB 3.97Å; F70-I157 HydrophobicContact CE1-CG2 3.88Å; F70-I157 HydrophobicContact CZ-CB 4.29Å; F70-I157 HydrophobicContact CZ-CD1 4.44Å; F70-I157 HydrophobicContact CZ-CG2 4.3Å; C132-I157 VanDerWaalsContact SG-CG2 3.52Å; Y146-I157 WeakPolarHBondContact OH-CD1 3.37Å; F150-I157 HydrophobicContact CB-CD1 3.91Å; F150-I157 HydrophobicContact CD1-CD1 3.78Å; F150-I157 HydrophobicContact CG-CD1 3.93Å; L152-I157 HydrophobicContact CB-CD1 4.27Å; L152-I157 HydrophobicContact CB-CG1 4.03Å; H153-I157 PolarHBondContact O-N 2.65Å; P154-I157 PolarHBondContact O-N 3Å; I157-L159 PolarHBondContact O-N 2.8Å; I157-L160 PolarHBondContact O-N 3.07Å; I157-S161 PolarHBondContact O-N 3.4Å |
| 158 | C | 93.8 | Very high | 90.7 | Very high | 1 Ų | 1 | 59.6 Ų | 59.6 | 1% | 0.007 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59.8 | -46.3 | 173.9 | -64.1 | 0 | 0 | 0 | 0 | 111.9 | F70 M129 P154 S155 I156 S161 W162 | F70-C158 WeakPolarHBondContact CD1-SG 3.33Å; M129-C158 HydrophobicContact CE-CB 4.06Å; P154-C158 PolarHBondContact O-N 2.92Å; P154-C158 PolarHBondContact O-SG 3.28Å; S155-C158 WeakPolarHBondContact O-CB 3.19Å; S155-C158 PolarHBondContact O-N 3.01Å; I156-C158 VanDerWaalsContact C-N 3.29Å; I156-C158 PolarHBondContact O-N 2.73Å; C158-S161 PolarHBondContact O-N 3.47Å; C158-S161 PolarHBondContact O-OG 3.47Å; C158-W162 PolarHBondContact O-N 3.37Å |
| 159 | L | 95.1 | Very high | 91.8 | Very high | 111 Ų | 111 | 52.9 Ų | 52.9 | 58% | 0.581 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -63.7 | -40.9 | 176.3 | -176.5 | 135.7 | 0 | 0 | 0 | 111.9 | S155 I156 I157 S161 W162 V163 | S155-L159 PolarHBondContact O-N 3.29Å; I156-L159 PolarHBondContact O-N 3.05Å; I157-L159 PolarHBondContact O-N 2.8Å; L159-S161 VanDerWaalsContact C-N 3.3Å; L159-S161 PolarHBondContact O-N 2.79Å; L159-W162 WeakPolarHBondContact O-CB 3.23Å; L159-W162 PolarHBondContact O-N 2.93Å; L159-W162 VanDerWaalsContact O-N 3.12Å; L159-V163 HydrophobicContact CD2-CG2 4.05Å; L159-V163 WeakPolarHBondContact O-CG2 3.27Å; L159-V163 PolarHBondContact O-N 3.39Å |
| 160 | L | 95.1 | Very high | 92.9 | Very high | 75 Ų | 75 | 51.5 Ų | 51.5 | 39% | 0.393 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.2 | -38.7 | 176.1 | -72.2 | 173.3 | 0 | 0 | 0 | 111.9 | L152 I156 I157 W162 V163 I164 | L152-L160 HydrophobicContact CD1-CD1 4.4Å; I156-L160 HydrophobicContact CG2-CD1 4.17Å; I156-L160 HydrophobicContact CG2-CG 4.37Å; I156-L160 VanDerWaalsContact O-CG 3.32Å; I156-L160 WeakPolarHBondContact O-CG 3.43Å; I156-L160 PolarHBondContact O-N 3.37Å; I157-L160 PolarHBondContact O-N 3.07Å; L160-W162 VanDerWaalsContact C-N 3.27Å; L160-W162 PolarHBondContact O-N 3.38Å; L160-V163 PolarHBondContact O-N 3.43Å; L160-I164 VanDerWaalsContact O-CG1 3.28Å; L160-I164 WeakPolarHBondContact O-CG1 3.46Å; L160-I164 PolarHBondContact O-N 3.45Å |
| 161 | S | 95.6 | Very high | 93.9 | Very high | 5 Ų | 5 | 50.4 Ų | 50.4 | 4% | 0.035 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.3 | -37.7 | 175.1 | 79 | 0 | 0 | 0 | 0 | 112.3 | M129 I157 C158 L159 G165 | M129-S161 WeakPolarHBondContact CE-OG 3.24Å; I157-S161 PolarHBondContact O-N 3.4Å; C158-S161 PolarHBondContact O-N 3.47Å; C158-S161 PolarHBondContact O-OG 3.47Å; L159-S161 VanDerWaalsContact C-N 3.3Å; L159-S161 PolarHBondContact O-N 2.79Å; S161-G165 PolarHBondContact O-N 2.92Å |
| 162 | W | 97 | Very high | 94.5 | Very high | 77 Ų | 77 | 47.5 Ų | 47.5 | 29% | 0.292 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -68 | -43.4 | 174.1 | -86.7 | 102.8 | 0 | 0 | 0 | 111.6 | T77 I80 I122 V125 C158 L159 L160 I164 G165 V166 | T77-W162 HydrophobicContact CG2-CZ2 4.26Å; T77-W162 WeakPolarHBondContact OG1-CZ2 3.5Å; I80-W162 HydrophobicContact CD1-CH2 4.31Å; I80-W162 HydrophobicContact CD1-CZ2 4.35Å; I122-W162 HydrophobicContact CG1-CH2 4.28Å; V125-W162 HydrophobicContact CG1-CD2 4.32Å; V125-W162 HydrophobicContact CG1-CZ2 4.25Å; V125-W162 HydrophobicContact CG2-CB 4.48Å; V125-W162 HydrophobicContact CG2-CD2 3.71Å; V125-W162 HydrophobicContact CG2-CE3 3.8Å; V125-W162 HydrophobicContact CG2-CG 4.03Å; V125-W162 HydrophobicContact CG2-CZ3 4.28Å; C158-W162 PolarHBondContact O-N 3.37Å; L159-W162 WeakPolarHBondContact O-CB 3.23Å; L159-W162 PolarHBondContact O-N 2.93Å; L159-W162 VanDerWaalsContact O-N 3.12Å; L160-W162 VanDerWaalsContact C-N 3.27Å; L160-W162 PolarHBondContact O-N 3.38Å; W162-I164 VanDerWaalsContact C-N 3.31Å; W162-I164 PolarHBondContact O-N 2.87Å; W162-G165 PolarHBondContact O-N 3.31Å; W162-V166 HydrophobicContact CE3-CG2 4.44Å; W162-V166 VanDerWaalsContact O-CB 3.31Å; W162-V166 WeakPolarHBondContact O-CB 3.36Å; W162-V166 VanDerWaalsContact O-CG2 3.28Å; W162-V166 WeakPolarHBondContact O-CG2 3.33Å; W162-V166 PolarHBondContact O-N 3.26Å |
| 163 | V | 97.5 | Very high | 94.8 | Very high | 74 Ų | 74 | 46.6 Ų | 46.6 | 45% | 0.448 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -58.9 | -45 | 175.8 | 172.2 | 0 | 0 | 0 | 0 | 110.7 | L159 L160 S167 | L159-V163 HydrophobicContact CD2-CG2 4.05Å; L159-V163 WeakPolarHBondContact O-CG2 3.27Å; L159-V163 PolarHBondContact O-N 3.39Å; L160-V163 PolarHBondContact O-N 3.43Å; V163-S167 WeakPolarHBondContact O-CB 3.49Å; V163-S167 PolarHBondContact O-N 3.15Å; V163-S167 PolarHBondContact O-OG 3.07Å |
| 164 | I | 96.5 | Very high | 94.9 | Very high | 65 Ų | 65 | 46.6 Ų | 46.6 | 33% | 0.333 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -63.5 | -50.5 | 176 | -65.6 | 165.1 | 0 | 0 | 0 | 110.1 | Y128 L160 W162 V166 S167 L168 | Y128-I164 HydrophobicContact CD2-CG2 4.2Å; Y128-I164 HydrophobicContact CE2-CB 4.43Å; Y128-I164 HydrophobicContact CE2-CG2 3.48Å; Y128-I164 VanDerWaalsContact CE2-CG2 3.48Å; L160-I164 VanDerWaalsContact O-CG1 3.28Å; L160-I164 WeakPolarHBondContact O-CG1 3.46Å; L160-I164 PolarHBondContact O-N 3.45Å; W162-I164 VanDerWaalsContact C-N 3.31Å; W162-I164 PolarHBondContact O-N 2.87Å; I164-V166 PolarHBondContact O-N 3.45Å; I164-S167 WeakPolarHBondContact O-CB 3.2Å; I164-S167 PolarHBondContact O-N 2.85Å; I164-S167 VanDerWaalsContact O-N 3.15Å; I164-L168 HydrophobicContact CG2-CD1 3.93Å; I164-L168 HydrophobicContact CG2-CG 4.2Å; I164-L168 VanDerWaalsContact O-CG 3.31Å; I164-L168 WeakPolarHBondContact O-CG 3.49Å; I164-L168 PolarHBondContact O-N 3.49Å |
| 165 | G | 96.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.9 | -44.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | S121 S161 W162 S167 L168 G169 | S121-G165 PolarHBondContact OG-O 3.29Å; S161-G165 PolarHBondContact O-N 2.92Å; W162-G165 PolarHBondContact O-N 3.31Å; G165-S167 VanDerWaalsContact C-N 3.35Å; G165-L168 PolarHBondContact O-N 3.38Å; G165-G169 PolarHBondContact O-N 2.98Å |
| 166 | V | 97.1 | Very high | 94.8 | Very high | 56 Ų | 56 | 52.2 Ų | 52.2 | 34% | 0.339 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.5 | -41.8 | 175.6 | 165.7 | 0 | 0 | 0 | 0 | 111.1 | F117 W162 I164 G169 L170 | F117-V166 HydrophobicContact CE2-CG1 4.07Å; F117-V166 HydrophobicContact CZ-CB 4.37Å; F117-V166 HydrophobicContact CZ-CG1 3.92Å; F117-V166 HydrophobicContact CZ-CG2 4.15Å; W162-V166 HydrophobicContact CE3-CG2 4.44Å; W162-V166 VanDerWaalsContact O-CB 3.31Å; W162-V166 WeakPolarHBondContact O-CB 3.36Å; W162-V166 VanDerWaalsContact O-CG2 3.28Å; W162-V166 WeakPolarHBondContact O-CG2 3.33Å; W162-V166 PolarHBondContact O-N 3.26Å; I164-V166 PolarHBondContact O-N 3.45Å; V166-G169 PolarHBondContact O-N 3.36Å; V166-L170 WeakPolarHBondContact O-CB 3.39Å; V166-L170 PolarHBondContact O-N 2.96Å |
| 167 | S | 97.2 | Very high | 94.6 | Very high | 69 Ų | 69 | 50.2 Ų | 50.2 | 48% | 0.483 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -66.1 | -40.6 | 179 | -63.4 | 0 | 0 | 0 | 0 | 111.8 | V163 I164 G165 G169 L170 | V163-S167 WeakPolarHBondContact O-CB 3.49Å; V163-S167 PolarHBondContact O-N 3.15Å; V163-S167 PolarHBondContact O-OG 3.07Å; I164-S167 WeakPolarHBondContact O-CB 3.2Å; I164-S167 PolarHBondContact O-N 2.85Å; I164-S167 VanDerWaalsContact O-N 3.15Å; G165-S167 VanDerWaalsContact C-N 3.35Å; S167-G169 VanDerWaalsContact C-N 3.34Å; S167-L170 PolarHBondContact O-N 3.48Å |
| 168 | L | 96.2 | Very high | 94.5 | Very high | 6 Ų | 6 | 49.7 Ų | 49.7 | 3% | 0.031 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66 | -36.1 | 173.9 | -68.2 | 178.5 | 0 | 0 | 0 | 112 | Y128 I164 G165 F199 Y202 L206 | Y128-L168 HydrophobicContact CE2-CD1 4.34Å; I164-L168 HydrophobicContact CG2-CD1 3.93Å; I164-L168 HydrophobicContact CG2-CG 4.2Å; I164-L168 VanDerWaalsContact O-CG 3.31Å; I164-L168 WeakPolarHBondContact O-CG 3.49Å; I164-L168 PolarHBondContact O-N 3.49Å; G165-L168 PolarHBondContact O-N 3.38Å; L168-F199 VanDerWaalsContact O-CE2 3.25Å; L168-F199 WeakPolarHBondContact O-CE2 3.39Å; L168-F199 WeakPolarHBondContact O-CZ 3.19Å; L168-Y202 HydrophobicContact CD2-CD1 4.21Å; L168-Y202 HydrophobicContact CD2-CE1 3.29Å; L168-Y202 WeakPolarHBondContact CD2-OH 3.48Å; L168-L206 HydrophobicContact CD1-CB 4.4Å; L168-L206 HydrophobicContact CD2-CB 3.99Å; L168-L206 HydrophobicContact CD2-CD1 4.16Å |
| 169 | G | 95.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -78.4 | -21.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | F117 G165 V166 S167 C172 | F117-G169 WeakPolarHBondContact CD2-O 3.35Å; G165-G169 PolarHBondContact O-N 2.98Å; V166-G169 PolarHBondContact O-N 3.36Å; S167-G169 VanDerWaalsContact C-N 3.34Å; G169-C172 WeakPolarHBondContact O-CB 3.33Å; G169-C172 PolarHBondContact O-N 2.8Å |
| 170 | L | 95.8 | Very high | 94.2 | Very high | 83 Ų | 83 | 44.9 Ų | 44.9 | 44% | 0.435 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -39.6 | -170.3 | -172.7 | 64.1 | 0 | 0 | 0 | 115 | V166 S167 C172 L173 T174 | V166-L170 WeakPolarHBondContact O-CB 3.39Å; V166-L170 PolarHBondContact O-N 2.96Å; S167-L170 PolarHBondContact O-N 3.48Å; L170-C172 PolarHBondContact O-N 3.19Å; L170-C172 VanDerWaalsContact O-N 3.11Å; L170-L173 HydrophobicContact CD1-CD1 4.42Å; L170-L173 PolarHBondContact O-N 3.45Å; L170-T174 HydrophobicContact CD1-CG2 4.36Å; L170-T174 HydrophobicContact CG-CG2 4.25Å; L170-T174 PolarHBondContact O-N 2.84Å |
| 171 | P | 94.9 | Very high | 94 | Very high | 38 Ų | 38 | 41.3 Ų | 41.3 | 25% | 0.247 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -57.2 | -25.8 | 176.4 | -25.8 | 35.5 | 0 | 0 | 0 | 114.5 | L173 T174 N175 I178 F199 | P171-L173 PolarHBondContact O-N 3.33Å; P171-T174 WeakPolarHBondContact CA-OG1 3.34Å; P171-T174 PolarHBondContact O-N 3.04Å; P171-N175 PolarHBondContact O-N 3.08Å; P171-I178 HydrophobicContact CB-CD1 3.66Å; P171-F199 HydrophobicContact CB-CD2 3.55Å; P171-F199 HydrophobicContact CB-CE2 3.62Å; P171-F199 HydrophobicContact CG-CD2 3.87Å; P171-F199 HydrophobicContact CG-CE2 3.69Å |
| 172 | C | 94.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.7 | -29.6 | 174.2 | -64 | 0 | 0 | 0 | 0 | 112.7 | R113 A116 F117 G169 L170 V179 F199 | R113-C172 VanDerWaalsContact CB-O 3.28Å; R113-C172 WeakPolarHBondContact CB-O 3.2Å; R113-C172 WeakPolarHBondContact CD-O 3.48Å; R113-C172 VanDerWaalsContact CG-O 3.28Å; R113-C172 WeakPolarHBondContact CG-O 3.43Å; A116-C172 HydrophobicContact CB-CB 4.39Å; F117-C172 HydrophobicContact CB-CB 4.02Å; G169-C172 WeakPolarHBondContact O-CB 3.33Å; G169-C172 PolarHBondContact O-N 2.8Å; L170-C172 PolarHBondContact O-N 3.19Å; L170-C172 VanDerWaalsContact O-N 3.11Å; C172-V179 HydrophobicContact CB-CG2 3.76Å; C172-F199 VanDerWaalsContact SG-CZ 3.56Å |
| 173 | L | 94.1 | Very high | 93.3 | Very high | 59 Ų | 59 | 39 Ų | 39 | 31% | 0.309 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -85.1 | -40.9 | 177.4 | -65.2 | 178.7 | 0 | 0 | 0 | 111.9 | R113 L114 F117 L170 P171 | R113-L173 HydrophobicContact CB-CD2 4.46Å; L114-L173 HydrophobicContact CB-CD2 4.32Å; L114-L173 HydrophobicContact CD1-CD2 4.19Å; F117-L173 HydrophobicContact CB-CD1 4.33Å; F117-L173 HydrophobicContact CB-CD2 3.77Å; F117-L173 HydrophobicContact CB-CG 3.75Å; F117-L173 HydrophobicContact CD1-CD1 4.11Å; F117-L173 HydrophobicContact CD1-CG 4.44Å; F117-L173 HydrophobicContact CD2-CD1 3.63Å; F117-L173 HydrophobicContact CD2-CG 3.76Å; F117-L173 HydrophobicContact CE1-CD1 4.36Å; F117-L173 HydrophobicContact CE2-CD1 3.93Å; F117-L173 HydrophobicContact CG-CD1 3.75Å; F117-L173 HydrophobicContact CG-CD2 4.05Å; F117-L173 HydrophobicContact CG-CG 3.72Å; F117-L173 HydrophobicContact CZ-CD1 4.29Å; L170-L173 HydrophobicContact CD1-CD1 4.42Å; L170-L173 PolarHBondContact O-N 3.45Å; P171-L173 PolarHBondContact O-N 3.33Å |
| 174 | T | 92.5 | Very high | 92.9 | Very high | 104 Ų | 104 | 36.5 Ų | 36.5 | 64% | 0.638 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -85.7 | -23.6 | -168.4 | 58.7 | 0 | 0 | 0 | 0 | 113.6 | L170 P171 | L170-T174 HydrophobicContact CD1-CG2 4.36Å; L170-T174 HydrophobicContact CG-CG2 4.25Å; L170-T174 PolarHBondContact O-N 2.84Å; P171-T174 WeakPolarHBondContact CA-OG1 3.34Å; P171-T174 PolarHBondContact O-N 3.04Å |
| 175 | N | 90.1 | Very high | 92.6 | Very high | 56 Ų | 56 | 33.7 Ų | 33.7 | 30% | 0.299 | 20% | 0.195 | S | C | . | . | trans | -121.7 | 109 | -176.8 | -171.1 | -15.6 | 0 | 0 | 0 | 111.5 | P171 S177 I178 | P171-N175 PolarHBondContact O-N 3.08Å; N175-S177 PolarHBondContact ND2-OG 3.41Å; N175-S177 PolarHBondContact O-N 2.84Å; N175-S177 WeakPolarHBondContact OD1-CB 3.41Å; N175-S177 PolarHBondContact OD1-N 3Å; N175-S177 PolarHBondContact OD1-OG 3.33Å; N175-I178 HydrophobicContact CB-CD1 3.64Å; N175-I178 HydrophobicContact CB-CG1 3.84Å; N175-I178 PolarHBondContact O-N 3.2Å; N175-I178 VanDerWaalsContact O-N 3.14Å | ||
| 176 | E | 88.4 | Confident | 92.3 | Very high | 122 Ų | 122 | 33.9 Ų | 33.9 | 57% | 0.57 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -29.5 | 178.7 | -164.4 | 178.7 | 165.1 | 0 | 0 | 113.3 | S108 I178 | S108-E176 VanDerWaalsContact OG-CG 3.31Å; S108-E176 WeakPolarHBondContact OG-CG 3.29Å; E176-I178 PolarHBondContact O-N 2.88Å |
| 177 | S | 89.3 | Confident | 92.1 | Very high | 34 Ų | 34 | 31.2 Ų | 31.2 | 24% | 0.238 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -19.1 | 179.5 | 70.3 | 0 | 0 | 0 | 0 | 113 | N175 N191 N193 N195 | N175-S177 PolarHBondContact ND2-OG 3.41Å; N175-S177 PolarHBondContact O-N 2.84Å; N175-S177 WeakPolarHBondContact OD1-CB 3.41Å; N175-S177 PolarHBondContact OD1-N 3Å; N175-S177 PolarHBondContact OD1-OG 3.33Å; S177-N191 WeakPolarHBondContact O-CB 3.46Å; S177-N193 PolarHBondContact O-ND2 3.31Å; S177-N193 PolarHBondContact O-OD1 3.38Å; S177-N195 PolarHBondContact OG-ND2 2.87Å |
| 178 | I | 91.6 | Very high | 91.8 | Very high | 9 Ų | 9 | 28 Ų | 28 | 5% | 0.046 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -35.2 | -173.6 | -67.3 | -180 | 0 | 0 | 0 | 111.7 | P171 N175 E176 W190 N191 N195 F199 | P171-I178 HydrophobicContact CB-CD1 3.66Å; N175-I178 HydrophobicContact CB-CD1 3.64Å; N175-I178 HydrophobicContact CB-CG1 3.84Å; N175-I178 PolarHBondContact O-N 3.2Å; N175-I178 VanDerWaalsContact O-N 3.14Å; E176-I178 PolarHBondContact O-N 2.88Å; I178-W190 CarbonylContact O-C 3.44Å; I178-W190 WeakPolarHBondContact O-CA 3.32Å; I178-N191 PolarHBondContact O-N 3.43Å; I178-N195 HydrophobicContact CG1-CB 4.32Å; I178-F199 HydrophobicContact CD1-CB 4.06Å; I178-F199 HydrophobicContact CD1-CD2 4.22Å; I178-F199 HydrophobicContact CD1-CG 4.24Å; I178-F199 HydrophobicContact CG1-CB 4.45Å; I178-F199 HydrophobicContact CG2-CB 3.89Å; I178-F199 HydrophobicContact CG2-CD1 3.78Å; I178-F199 HydrophobicContact CG2-CD2 4.32Å; I178-F199 HydrophobicContact CG2-CG 3.67Å |
| 179 | V | 93.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 135.5 | -170.1 | 179.1 | 0 | 0 | 0 | 0 | 110.2 | S108 R113 A116 C172 C188 L189 | S108-V179 VanDerWaalsContact CB-O 3.27Å; S108-V179 WeakPolarHBondContact CB-O 3.28Å; S108-V179 PolarHBondContact OG-O 3.32Å; R113-V179 HydrophobicContact CG-CB 4.2Å; R113-V179 HydrophobicContact CG-CG1 4.48Å; A116-V179 HydrophobicContact CB-CB 4.34Å; A116-V179 HydrophobicContact CB-CG1 3.53Å; A116-V179 HydrophobicContact CB-CG2 3.78Å; C172-V179 HydrophobicContact CB-CG2 3.76Å; V179-C188 HydrophobicContact CG1-CB 4.43Å; V179-L189 WeakPolarHBondContact CA-O 3.33Å |
| 180 | A | 90.7 | Very high | 91.4 | Very high | 10 Ų | 10 | 28.1 Ų | 28.1 | 8% | 0.083 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 155.5 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | D182 L189 N191 | A180-D182 PolarHBondContact O-N 3.47Å; A180-L189 PolarHBondContact N-O 3.31Å; A180-L189 PolarHBondContact O-N 3.48Å; A180-N191 HydrophobicContact CB-CB 4.47Å |
| 181 | Y | 89.9 | Confident | 91 | Very high | 1 Ų | 1 | 27 Ų | 27 | 0% | 0.004 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 122.4 | 168 | -180 | -101 | 0 | 0 | 0 | 110.2 | T97 D98 N106 H107 H186 | T97-Y181 VanDerWaalsContact C-OH 3.29Å; D98-Y181 HydrophobicContact CB-CD1 4.2Å; D98-Y181 HydrophobicContact CB-CD2 3.66Å; D98-Y181 HydrophobicContact CB-CE1 4.29Å; D98-Y181 HydrophobicContact CB-CE2 3.79Å; D98-Y181 HydrophobicContact CB-CG 3.87Å; D98-Y181 PolarHBondContact N-OH 2.72Å; N106-Y181 PolarHBondContact OD1-O 3.38Å; N106-Y181 VanDerWaalsContact OD1-O 3.11Å; H107-Y181 PolarHBondContact O-N 3.25Å; Y181-H186 WeakPolarHBondContact OH-CA 3.31Å |
| 182 | D | 89.9 | Confident | 90.6 | Very high | 14 Ų | 14 | 29.6 Ų | 29.6 | 8% | 0.075 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 116.4 | 176 | -165.6 | -46.4 | 0 | 0 | 0 | 109.8 | A180 T184 Y185 H186 H187 L189 R262 | A180-D182 PolarHBondContact O-N 3.47Å; D182-T184 PolarHBondContact O-N 2.81Å; D182-T184 VanDerWaalsContact OD1-CB 3.31Å; D182-T184 WeakPolarHBondContact OD1-CB 3.42Å; D182-T184 PolarHBondContact OD1-N 2.92Å; D182-T184 PolarHBondContact OD1-OG1 3.38Å; D182-Y185 HydrophobicContact CB-CD2 4.38Å; D182-Y185 PolarHBondContact O-N 2.75Å; D182-H186 WeakPolarHBondContact O-CA 3.43Å; D182-H186 PolarHBondContact O-N 3.49Å; D182-H187 PolarHBondContact N-O 2.97Å; D182-H187 PolarHBondContact O-N 3.37Å; D182-L189 HydrophobicContact CB-CB 4.47Å; D182-L189 HydrophobicContact CB-CD1 4.46Å; D182-R262 IonicContact OD2-CZ 3.08Å; D182-R262 IonicContact OD2-NH1 3.37Å; D182-R262 PolarHBondContact OD2-NH1 3.2Å; D182-R262 IonicContact OD2-NH2 3.16Å; D182-R262 PolarHBondContact OD2-NH2 3.08Å |
| 183 | S | 87.3 | Confident | 90.4 | Very high | 20 Ų | 20 | 31.9 Ų | 31.9 | 14% | 0.14 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -21.6 | -178.1 | 54.8 | 0 | 0 | 0 | 0 | 113.5 | H186 | S183-H186 PolarHBondContact O-CE1 2.84Å; S183-H186 PolarHBondContact O-ND1 3.25Å |
| 184 | T | 89.4 | Confident | 90.3 | Very high | 20 Ų | 20 | 35.6 Ų | 35.6 | 12% | 0.123 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -35.9 | -180 | -38.4 | 0 | 0 | 0 | 0 | 111.1 | D182 P267 P269 D272 | D182-T184 PolarHBondContact O-N 2.81Å; D182-T184 VanDerWaalsContact OD1-CB 3.31Å; D182-T184 WeakPolarHBondContact OD1-CB 3.42Å; D182-T184 PolarHBondContact OD1-N 2.92Å; D182-T184 PolarHBondContact OD1-OG1 3.38Å; T184-P267 HydrophobicContact CG2-CB 4.13Å; T184-P269 HydrophobicContact CG2-CB 4.38Å; T184-D272 HydrophobicContact CG2-CB 4.16Å; T184-D272 WeakPolarHBondContact CG2-OD2 3.44Å |
| 185 | Y | 90.9 | Very high | 90.2 | Very high | 7 Ų | 7 | 34 Ų | 34 | 3% | 0.027 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94 | -7.7 | 178.5 | -70.8 | -95.6 | 0 | 0 | 0 | 113.1 | D182 H187 L189 F258 R262 D272 L276 | D182-Y185 HydrophobicContact CB-CD2 4.38Å; D182-Y185 PolarHBondContact O-N 2.75Å; Y185-H187 PolarHBondContact O-N 3Å; Y185-L189 VanDerWaalsContact CB-CD1 3.48Å; Y185-L189 HydrophobicContact CD1-CD1 3.84Å; Y185-L189 HydrophobicContact CD2-CD1 3.87Å; Y185-L189 HydrophobicContact CG-CD1 3.44Å; Y185-L189 VanDerWaalsContact CG-CD1 3.44Å; Y185-F258 HydrophobicContact CD1-CD2 4.11Å; Y185-F258 AromaticContact CD1-CE2 3.89Å; Y185-F258 HydrophobicContact CD1-CE2 3.89Å; Y185-F258 AromaticContact CE1-CD2 3.74Å; Y185-F258 HydrophobicContact CE1-CD2 3.74Å; Y185-F258 AromaticContact CE1-CE2 3.73Å; Y185-F258 HydrophobicContact CE1-CE2 3.73Å; Y185-R262 WeakPolarHBondContact OH-CA 3.27Å; Y185-R262 PolarHBondContact OH-N 3.19Å; Y185-D272 HydrophobicContact CD1-CB 3.83Å; Y185-D272 WeakPolarHBondContact CD1-O 3.48Å; Y185-D272 HydrophobicContact CD2-CB 4.2Å; Y185-D272 HydrophobicContact CE1-CB 3.6Å; Y185-D272 HydrophobicContact CE2-CB 3.95Å; Y185-D272 HydrophobicContact CG-CB 4.13Å; Y185-L276 HydrophobicContact CD1-CB 4.3Å; Y185-L276 HydrophobicContact CD1-CD2 4.43Å |
| 186 | H | 90.7 | Very high | 90.3 | Very high | 4 Ų | 4 | 31.3 Ų | 31.3 | 2% | 0.019 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.6 | 39.1 | -171.2 | -59.2 | -66 | 0 | 0 | 0 | 112.8 | L26 N92 V93 Y181 D182 S183 T273 | L26-H186 WeakPolarHBondContact CD1-NE2 3.42Å; N92-H186 HydrophobicContact CB-CB 4.18Å; N92-H186 WeakPolarHBondContact CB-O 3.31Å; N92-H186 PolarHBondContact ND2-O 3.1Å; V93-H186 HydrophobicContact CG2-CB 3.98Å; Y181-H186 WeakPolarHBondContact OH-CA 3.31Å; D182-H186 WeakPolarHBondContact O-CA 3.43Å; D182-H186 PolarHBondContact O-N 3.49Å; S183-H186 PolarHBondContact O-CE1 2.84Å; S183-H186 PolarHBondContact O-ND1 3.25Å; H186-T273 PolarHBondContact CD2-OG1 2.9Å |
| 187 | H | 91.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 148.5 | -169.7 | -158.1 | -79.2 | 0 | 0 | 0 | 112.8 | F89 H115 D182 Y185 L189 L276 Y280 | F89-H187 AromaticContact CD2-CD2 3.86Å; H115-H187 AromaticContact CE1-CD2 3.8Å; H115-H187 AromaticContact CE1-CE1 3.24Å; H115-H187 PolarHBondContact CE1-CE1 3.43Å; H115-H187 AromaticContact CE1-ND1 3.98Å; H115-H187 AromaticContact CE1-NE2 3.08Å; H115-H187 PolarHBondContact CE1-NE2 3.08Å; H115-H187 AromaticContact ND1-CE1 3.49Å; H115-H187 PolarHBondContact ND1-CE1 3.22Å; H115-H187 AromaticContact ND1-NE2 3.81Å; D182-H187 PolarHBondContact N-O 2.97Å; D182-H187 PolarHBondContact O-N 3.37Å; Y185-H187 PolarHBondContact O-N 3Å; H187-L189 HydrophobicContact CB-CD1 4.47Å; H187-L189 HydrophobicContact CB-CG 4.12Å; H187-L189 PolarHBondContact O-N 2.91Å; H187-L276 HydrophobicContact CB-CD2 3.53Å; H187-Y280 PolarHBondContact CE1-OH 3.2Å; H187-Y280 AromaticContact NE2-CE2 3.78Å; H187-Y280 AromaticContact NE2-CZ 3.7Å; H187-Y280 PolarHBondContact NE2-OH 3.24Å |
| 188 | C | 91.6 | Very high | 90.6 | Very high | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.014 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 107.6 | 169 | -71.1 | 0 | 0 | 0 | 0 | 110.2 | C112 H115 V179 | C112-C188 WeakPolarHBondContact CA-SG 3.22Å; C112-C188 HydrophobicContact CB-CB 4.09Å; C112-C188 WeakPolarHBondContact CB-SG 3.09Å; C112-C188 WeakPolarHBondContact O-CB 3.29Å; C112-C188 WeakPolarHBondContact SG-CB 3.4Å; C112-C188 CovalentContact SG-SG 2.03Å; C112-C188 PolarHBondContact SG-SG 3.03Å; H115-C188 HydrophobicContact CB-CB 4.49Å; V179-C188 HydrophobicContact CG1-CB 4.43Å |
| 189 | L | 92.2 | Very high | 90.8 | Very high | 4 Ų | 4 | 34.1 Ų | 34.1 | 2% | 0.021 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 174.5 | -174.4 | -70 | 179.5 | 0 | 0 | 0 | 110.8 | V179 A180 D182 Y185 H187 F258 | V179-L189 WeakPolarHBondContact CA-O 3.33Å; A180-L189 PolarHBondContact N-O 3.31Å; A180-L189 PolarHBondContact O-N 3.48Å; D182-L189 HydrophobicContact CB-CB 4.47Å; D182-L189 HydrophobicContact CB-CD1 4.46Å; Y185-L189 VanDerWaalsContact CB-CD1 3.48Å; Y185-L189 HydrophobicContact CD1-CD1 3.84Å; Y185-L189 HydrophobicContact CD2-CD1 3.87Å; Y185-L189 HydrophobicContact CG-CD1 3.44Å; Y185-L189 VanDerWaalsContact CG-CD1 3.44Å; H187-L189 HydrophobicContact CB-CD1 4.47Å; H187-L189 HydrophobicContact CB-CG 4.12Å; H187-L189 PolarHBondContact O-N 2.91Å; L189-F258 HydrophobicContact CD1-CE2 3.91Å; L189-F258 HydrophobicContact CD1-CZ 4.23Å; L189-F258 HydrophobicContact CD2-CE2 4.24Å; L189-F258 HydrophobicContact CD2-CZ 3.87Å |
| 190 | W | 90.3 | Very high | 90.8 | Very high | 4 Ų | 4 | 34.2 Ų | 34.2 | 2% | 0.015 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 130.8 | 179 | -44.8 | -79.4 | 0 | 0 | 0 | 110.7 | C120 W123 I178 F199 L200 F203 F258 F259 R262 | C120-W190 WeakPolarHBondContact SG-CZ2 3.5Å; C120-W190 PolarHBondContact SG-NE1 2.86Å; W123-W190 HydrophobicContact CZ3-CH2 4.28Å; I178-W190 CarbonylContact O-C 3.44Å; I178-W190 WeakPolarHBondContact O-CA 3.32Å; W190-F199 AromaticContact CD1-CD1 3.28Å; W190-F199 AromaticContact CD1-CE1 3.29Å; W190-F199 AromaticContact CE2-CE1 3.82Å; W190-F199 AromaticContact CG-CD1 3.98Å; W190-F199 HydrophobicContact CG-CD1 3.98Å; W190-F199 HydrophobicContact CG-CE1 4.18Å; W190-F199 AromaticContact NE1-CD1 3.59Å; W190-F199 AromaticContact NE1-CE1 3.04Å; W190-L200 HydrophobicContact CD2-CD1 3.78Å; W190-L200 HydrophobicContact CE3-CD1 3.38Å; W190-L200 HydrophobicContact CE3-CD2 4.28Å; W190-L200 HydrophobicContact CE3-CG 4.37Å; W190-L200 HydrophobicContact CG-CD1 4.45Å; W190-L200 HydrophobicContact CH2-CD1 4.05Å; W190-L200 HydrophobicContact CZ2-CD1 4.41Å; W190-L200 HydrophobicContact CZ3-CD1 3.53Å; W190-F203 HydrophobicContact CH2-CD1 4.15Å; W190-F203 AromaticContact CH2-CE1 3.86Å; W190-F203 HydrophobicContact CH2-CE1 3.86Å; W190-F203 AromaticContact CZ2-CD1 3.98Å; W190-F203 HydrophobicContact CZ2-CD1 3.98Å; W190-F203 AromaticContact CZ2-CE1 3.89Å; W190-F203 HydrophobicContact CZ2-CE1 3.89Å; W190-F258 HydrophobicContact CH2-CE1 4.49Å; W190-F258 AromaticContact CZ3-CE1 3.85Å; W190-F258 HydrophobicContact CZ3-CE1 3.85Å; W190-F258 AromaticContact CZ3-CZ 3.85Å; W190-F258 HydrophobicContact CZ3-CZ 3.85Å; W190-F259 HydrophobicContact CH2-CE1 4.49Å; W190-F259 HydrophobicContact CZ3-CE1 4.3Å; W190-R262 PolarHBondContact O-NH2 2.92Å |
| 191 | N | 89 | Confident | 90.9 | Very high | 59 Ų | 59 | 36.4 Ų | 36.4 | 32% | 0.316 | 18% | 0.184 | S | C | . | . | trans | -64.9 | 154.3 | -175.1 | -162.6 | -14.9 | 0 | 0 | 0 | 111.6 | S177 I178 A180 N193 G196 | S177-N191 WeakPolarHBondContact O-CB 3.46Å; I178-N191 PolarHBondContact O-N 3.43Å; A180-N191 HydrophobicContact CB-CB 4.47Å; N191-N193 PolarHBondContact O-N 2.65Å; N191-N193 VanDerWaalsContact O-N 3.15Å; N191-G196 WeakPolarHBondContact O-CA 3.21Å | ||
| 192 | H | 86.2 | Confident | 91.1 | Very high | 92 Ų | 92 | 41.8 Ų | 41.8 | 43% | 0.426 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -77.6 | 15.6 | 176.4 | -69.2 | -68 | 0 | 0 | 0 | 114 | Y197 R262 | H192-Y197 HydrophobicContact CB-CE2 4.26Å; H192-Y197 AromaticContact ND1-CZ 3.62Å; H192-Y197 PolarHBondContact ND1-OH 2.97Å; H192-Y197 WeakPolarHBondContact O-CE2 3.42Å; H192-R262 PolarHBondContact CE1-NH1 2.82Å; H192-R262 PolarHBondContact CE1-NH2 2.73Å; H192-R262 PolarHBondContact NE2-NH1 3.29Å; H192-R262 PolarHBondContact NE2-NH2 3.02Å |
| 193 | N | 89.8 | Confident | 91.3 | Very high | 48 Ų | 48 | 41.1 Ų | 41.1 | 26% | 0.257 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -85.6 | 170.1 | 174.4 | 67.6 | 23.2 | 0 | 0 | 0 | 111.3 | S177 N191 N195 G196 Y197 | S177-N193 PolarHBondContact O-ND2 3.31Å; S177-N193 PolarHBondContact O-OD1 3.38Å; N191-N193 PolarHBondContact O-N 2.65Å; N191-N193 VanDerWaalsContact O-N 3.15Å; N193-N195 PolarHBondContact O-N 3.29Å; N193-N195 PolarHBondContact OD1-N 3.12Å; N193-G196 PolarHBondContact O-N 3.4Å; N193-G196 PolarHBondContact OD1-N 2.96Å; N193-Y197 VanDerWaalsContact O-CD2 3.31Å; N193-Y197 WeakPolarHBondContact O-CD2 3.37Å; N193-Y197 PolarHBondContact O-N 2.88Å |
| 194 | Q | 90.8 | Very high | 91.7 | Very high | 138 Ų | 138 | 41.2 Ų | 41.2 | 65% | 0.645 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -58.3 | -33.4 | -178.2 | -166.9 | -175.8 | 6.4 | 0 | 0 | 112.9 | K198 | Q194-K198 HydrophobicContact CG-CD 4.39Å; Q194-K198 VanDerWaalsContact NE2-NZ 3.17Å; Q194-K198 WeakPolarHBondContact O-CB 3.27Å; Q194-K198 VanDerWaalsContact O-CG 3.23Å; Q194-K198 WeakPolarHBondContact O-CG 3.35Å; Q194-K198 PolarHBondContact O-N 2.92Å; Q194-K198 VanDerWaalsContact O-N 3.12Å |
| 195 | N | 91.7 | Very high | 92 | Very high | 69 Ų | 69 | 45.1 Ų | 45.1 | 37% | 0.369 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -73.3 | -43.1 | 179.5 | -69.3 | -19.1 | 0 | 0 | 0 | 111.9 | S177 I178 N193 K198 F199 | S177-N195 PolarHBondContact OG-ND2 2.87Å; I178-N195 HydrophobicContact CG1-CB 4.32Å; N193-N195 PolarHBondContact O-N 3.29Å; N193-N195 PolarHBondContact OD1-N 3.12Å; N195-K198 PolarHBondContact O-N 3.49Å; N195-F199 WeakPolarHBondContact O-CB 3.4Å; N195-F199 PolarHBondContact O-N 2.93Å |
| 196 | G | 91.4 | Very high | 92.3 | Very high | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.7 | -44.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | N191 N193 F199 L200 | N191-G196 WeakPolarHBondContact O-CA 3.21Å; N193-G196 PolarHBondContact O-N 3.4Å; N193-G196 PolarHBondContact OD1-N 2.96Å; G196-F199 PolarHBondContact O-N 3.24Å; G196-L200 VanDerWaalsContact O-CB 3.24Å; G196-L200 WeakPolarHBondContact O-CB 3.29Å; G196-L200 PolarHBondContact O-N 3.28Å |
| 197 | Y | 91.3 | Very high | 92.5 | Very high | 91 Ų | 91 | 47 Ų | 47 | 36% | 0.357 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -65.5 | -42.3 | 174.8 | -74.5 | -55 | 0 | 0 | 0 | 113.6 | H192 N193 F199 L200 A201 F263 | H192-Y197 HydrophobicContact CB-CE2 4.26Å; H192-Y197 AromaticContact ND1-CZ 3.62Å; H192-Y197 PolarHBondContact ND1-OH 2.97Å; H192-Y197 WeakPolarHBondContact O-CE2 3.42Å; N193-Y197 VanDerWaalsContact O-CD2 3.31Å; N193-Y197 WeakPolarHBondContact O-CD2 3.37Å; N193-Y197 PolarHBondContact O-N 2.88Å; Y197-F199 VanDerWaalsContact C-N 3.34Å; Y197-L200 PolarHBondContact O-N 3.21Å; Y197-A201 WeakPolarHBondContact O-CB 3.42Å; Y197-A201 PolarHBondContact O-N 3.29Å; Y197-F263 HydrophobicContact CD1-CD1 4.26Å; Y197-F263 AromaticContact CD1-CE1 3.8Å; Y197-F263 HydrophobicContact CD1-CE1 3.8Å; Y197-F263 HydrophobicContact CE1-CD1 4.08Å; Y197-F263 HydrophobicContact CE1-CE1 4.07Å |
| 198 | K | 93.3 | Very high | 92.6 | Very high | 121 Ų | 121 | 47.1 Ų | 47.1 | 53% | 0.526 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -60.9 | -44.9 | 175.6 | -77.7 | 172.6 | -178.4 | 171.4 | 0 | 111.4 | Q194 N195 Y202 | Q194-K198 HydrophobicContact CG-CD 4.39Å; Q194-K198 VanDerWaalsContact NE2-NZ 3.17Å; Q194-K198 WeakPolarHBondContact O-CB 3.27Å; Q194-K198 VanDerWaalsContact O-CG 3.23Å; Q194-K198 WeakPolarHBondContact O-CG 3.35Å; Q194-K198 PolarHBondContact O-N 2.92Å; Q194-K198 VanDerWaalsContact O-N 3.12Å; N195-K198 PolarHBondContact O-N 3.49Å; K198-Y202 PolarHBondContact O-N 3.24Å; K198-Y202 VanDerWaalsContact O-N 3.14Å |
| 199 | F | 94.5 | Very high | 92.8 | Very high | 11 Ų | 11 | 50 Ų | 50 | 5% | 0.048 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.2 | -49.8 | 175.4 | 172.7 | -89.6 | 0 | 0 | 0 | 111.4 | L168 P171 C172 I178 W190 N195 G196 Y197 A201 Y202 F203 | L168-F199 VanDerWaalsContact O-CE2 3.25Å; L168-F199 WeakPolarHBondContact O-CE2 3.39Å; L168-F199 WeakPolarHBondContact O-CZ 3.19Å; P171-F199 HydrophobicContact CB-CD2 3.55Å; P171-F199 HydrophobicContact CB-CE2 3.62Å; P171-F199 HydrophobicContact CG-CD2 3.87Å; P171-F199 HydrophobicContact CG-CE2 3.69Å; C172-F199 VanDerWaalsContact SG-CZ 3.56Å; I178-F199 HydrophobicContact CD1-CB 4.06Å; I178-F199 HydrophobicContact CD1-CD2 4.22Å; I178-F199 HydrophobicContact CD1-CG 4.24Å; I178-F199 HydrophobicContact CG1-CB 4.45Å; I178-F199 HydrophobicContact CG2-CB 3.89Å; I178-F199 HydrophobicContact CG2-CD1 3.78Å; I178-F199 HydrophobicContact CG2-CD2 4.32Å; I178-F199 HydrophobicContact CG2-CG 3.67Å; W190-F199 AromaticContact CD1-CD1 3.28Å; W190-F199 AromaticContact CD1-CE1 3.29Å; W190-F199 AromaticContact CE2-CE1 3.82Å; W190-F199 AromaticContact CG-CD1 3.98Å; W190-F199 HydrophobicContact CG-CD1 3.98Å; W190-F199 HydrophobicContact CG-CE1 4.18Å; W190-F199 AromaticContact NE1-CD1 3.59Å; W190-F199 AromaticContact NE1-CE1 3.04Å; N195-F199 WeakPolarHBondContact O-CB 3.4Å; N195-F199 PolarHBondContact O-N 2.93Å; G196-F199 PolarHBondContact O-N 3.24Å; Y197-F199 VanDerWaalsContact C-N 3.34Å; F199-A201 VanDerWaalsContact C-N 3.31Å; F199-A201 PolarHBondContact O-N 3.24Å; F199-Y202 WeakPolarHBondContact O-CB 3.4Å; F199-Y202 PolarHBondContact O-N 3.49Å; F199-Y202 VanDerWaalsContact O-N 3.13Å; F199-F203 HydrophobicContact CE1-CB 3.93Å; F199-F203 HydrophobicContact CE1-CG 4.39Å; F199-F203 HydrophobicContact CZ-CB 4.13Å; F199-F203 WeakPolarHBondContact O-CB 3.27Å; F199-F203 PolarHBondContact O-N 3.04Å |
| 200 | L | 93.1 | Very high | 93 | Very high | 3 Ų | 3 | 53.5 Ų | 53.5 | 2% | 0.016 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.2 | -41.7 | -177.6 | -176.9 | 57 | 0 | 0 | 0 | 111.4 | W190 G196 Y197 Y202 F203 V204 F259 R262 F263 | W190-L200 HydrophobicContact CD2-CD1 3.78Å; W190-L200 HydrophobicContact CE3-CD1 3.38Å; W190-L200 HydrophobicContact CE3-CD2 4.28Å; W190-L200 HydrophobicContact CE3-CG 4.37Å; W190-L200 HydrophobicContact CG-CD1 4.45Å; W190-L200 HydrophobicContact CH2-CD1 4.05Å; W190-L200 HydrophobicContact CZ2-CD1 4.41Å; W190-L200 HydrophobicContact CZ3-CD1 3.53Å; G196-L200 VanDerWaalsContact O-CB 3.24Å; G196-L200 WeakPolarHBondContact O-CB 3.29Å; G196-L200 PolarHBondContact O-N 3.28Å; Y197-L200 PolarHBondContact O-N 3.21Å; L200-Y202 PolarHBondContact O-N 3.23Å; L200-F203 HydrophobicContact CD1-CD1 4.3Å; L200-F203 PolarHBondContact O-N 3.5Å; L200-V204 HydrophobicContact CD1-CG2 4.03Å; L200-V204 HydrophobicContact CG-CG2 4.36Å; L200-V204 WeakPolarHBondContact O-CB 3.1Å; L200-V204 VanDerWaalsContact O-CG2 3.26Å; L200-V204 WeakPolarHBondContact O-CG2 3.37Å; L200-V204 PolarHBondContact O-N 3.41Å; L200-F259 HydrophobicContact CD1-CD1 4.38Å; L200-F259 HydrophobicContact CD1-CE1 3.96Å; L200-R262 HydrophobicContact CD2-CG 4.34Å; L200-F263 HydrophobicContact CB-CZ 4.43Å; L200-F263 HydrophobicContact CD2-CE1 3.82Å; L200-F263 HydrophobicContact CD2-CE2 3.87Å; L200-F263 HydrophobicContact CD2-CZ 3.3Å; L200-F263 HydrophobicContact CG-CE1 4.44Å; L200-F263 HydrophobicContact CG-CE2 4.24Å; L200-F263 HydrophobicContact CG-CZ 3.61Å |
| 201 | A | 92.8 | Very high | 93.3 | Very high | 56 Ų | 56 | 53.3 Ų | 53.3 | 46% | 0.463 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60.7 | -44.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | Y197 F199 L205 | Y197-A201 WeakPolarHBondContact O-CB 3.42Å; Y197-A201 PolarHBondContact O-N 3.29Å; F199-A201 VanDerWaalsContact C-N 3.31Å; F199-A201 PolarHBondContact O-N 3.24Å; A201-L205 VanDerWaalsContact O-CB 3.26Å; A201-L205 WeakPolarHBondContact O-CB 3.42Å; A201-L205 PolarHBondContact O-N 2.99Å |
| 202 | Y | 94.3 | Very high | 93.6 | Very high | 113 Ų | 113 | 51 Ų | 51 | 44% | 0.443 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.6 | -45.9 | 175.9 | 172.5 | -96.4 | 0 | 0 | 0 | 112.1 | L168 K198 F199 L200 L205 L206 | L168-Y202 HydrophobicContact CD2-CD1 4.21Å; L168-Y202 HydrophobicContact CD2-CE1 3.29Å; L168-Y202 WeakPolarHBondContact CD2-OH 3.48Å; K198-Y202 PolarHBondContact O-N 3.24Å; K198-Y202 VanDerWaalsContact O-N 3.14Å; F199-Y202 WeakPolarHBondContact O-CB 3.4Å; F199-Y202 PolarHBondContact O-N 3.49Å; F199-Y202 VanDerWaalsContact O-N 3.13Å; L200-Y202 PolarHBondContact O-N 3.23Å; Y202-L205 PolarHBondContact O-N 3.4Å; Y202-L206 HydrophobicContact CD2-CD1 3.85Å; Y202-L206 HydrophobicContact CD2-CG 4.43Å; Y202-L206 HydrophobicContact CE1-CD1 4.28Å; Y202-L206 HydrophobicContact CE2-CD1 3.18Å; Y202-L206 HydrophobicContact CE2-CG 4.2Å; Y202-L206 VanDerWaalsContact CZ-CD1 3.42Å; Y202-L206 PolarHBondContact O-N 3.32Å |
| 203 | F | 95.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.6 | -47.2 | 177.6 | 171.7 | -105.7 | 0 | 0 | 0 | 112 | C120 W123 S124 W190 F199 L200 L205 G207 I208 F259 | C120-F203 HydrophobicContact CB-CD2 4.17Å; C120-F203 HydrophobicContact CB-CE2 3.71Å; C120-F203 HydrophobicContact CB-CZ 4.26Å; C120-F203 WeakPolarHBondContact O-CE2 3.34Å; W123-F203 HydrophobicContact CB-CZ 4.13Å; W123-F203 HydrophobicContact CE3-CE1 4.14Å; W123-F203 HydrophobicContact CE3-CZ 4.17Å; S124-F203 WeakPolarHBondContact OG-CE2 3.29Å; W190-F203 HydrophobicContact CH2-CD1 4.15Å; W190-F203 AromaticContact CH2-CE1 3.86Å; W190-F203 HydrophobicContact CH2-CE1 3.86Å; W190-F203 AromaticContact CZ2-CD1 3.98Å; W190-F203 HydrophobicContact CZ2-CD1 3.98Å; W190-F203 AromaticContact CZ2-CE1 3.89Å; W190-F203 HydrophobicContact CZ2-CE1 3.89Å; F199-F203 HydrophobicContact CE1-CB 3.93Å; F199-F203 HydrophobicContact CE1-CG 4.39Å; F199-F203 HydrophobicContact CZ-CB 4.13Å; F199-F203 WeakPolarHBondContact O-CB 3.27Å; F199-F203 PolarHBondContact O-N 3.04Å; L200-F203 HydrophobicContact CD1-CD1 4.3Å; L200-F203 PolarHBondContact O-N 3.5Å; F203-L205 VanDerWaalsContact C-N 3.34Å; F203-L205 PolarHBondContact O-N 3.28Å; F203-G207 WeakPolarHBondContact O-CA 3.37Å; F203-G207 PolarHBondContact O-N 2.89Å; F203-I208 HydrophobicContact CD1-CD1 4.42Å; F203-I208 HydrophobicContact CE1-CD1 3.73Å; F203-I208 HydrophobicContact CE1-CG1 4.37Å; F203-I208 HydrophobicContact CZ-CD1 4.16Å; F203-I208 HydrophobicContact CZ-CG1 4.45Å; F203-F259 HydrophobicContact CE1-CZ 4.25Å |
| 204 | V | 94.8 | Very high | 94.4 | Very high | 22 Ų | 22 | 51 Ų | 51 | 13% | 0.133 | 26% | 0.264 | C | S | . | . | I | π-helix | trans | -62.6 | -42.8 | 177.3 | 169.3 | 0 | 0 | 0 | 0 | 110.4 | L200 I208 L209 F259 | L200-V204 HydrophobicContact CD1-CG2 4.03Å; L200-V204 HydrophobicContact CG-CG2 4.36Å; L200-V204 WeakPolarHBondContact O-CB 3.1Å; L200-V204 VanDerWaalsContact O-CG2 3.26Å; L200-V204 WeakPolarHBondContact O-CG2 3.37Å; L200-V204 PolarHBondContact O-N 3.41Å; V204-I208 WeakPolarHBondContact O-CB 3.36Å; V204-I208 PolarHBondContact O-N 2.85Å; V204-L209 HydrophobicContact CG1-CD1 3.92Å; V204-L209 HydrophobicContact CG1-CG 3.93Å; V204-L209 WeakPolarHBondContact O-CB 3.28Å; V204-L209 WeakPolarHBondContact O-CG 3.24Å; V204-L209 PolarHBondContact O-N 3.13Å; V204-F259 HydrophobicContact CG2-CD1 3.74Å; V204-F259 HydrophobicContact CG2-CE1 3.54Å; V204-F259 HydrophobicContact CG2-CG 4.42Å; V204-F259 HydrophobicContact CG2-CZ 4.09Å |
| 205 | L | 95.9 | Very high | 94.6 | Very high | 102 Ų | 102 | 44.5 Ų | 44.5 | 53% | 0.534 | 23% | 0.233 | S | C | . | . | I | π-helix | trans | -65.7 | -52.8 | -178.9 | -175 | 65 | 0 | 0 | 0 | 112.3 | A201 Y202 F203 L209 L210 | A201-L205 VanDerWaalsContact O-CB 3.26Å; A201-L205 WeakPolarHBondContact O-CB 3.42Å; A201-L205 PolarHBondContact O-N 2.99Å; Y202-L205 PolarHBondContact O-N 3.4Å; F203-L205 VanDerWaalsContact C-N 3.34Å; F203-L205 PolarHBondContact O-N 3.28Å; L205-L209 HydrophobicContact CD1-CD1 4.34Å; L205-L210 WeakPolarHBondContact O-CB 3.36Å; L205-L210 PolarHBondContact O-N 3.31Å |
| 206 | L | 96.7 | Very high | 94.8 | Very high | 51 Ų | 51 | 43 Ų | 43 | 27% | 0.267 | 23% | 0.225 | S | C | . | . | I | π-helix | trans | -88.5 | -38.4 | -173.3 | -64.4 | -172.9 | 0 | 0 | 0 | 113.5 | Y128 L168 Y202 L210 P211 | Y128-L206 PolarHBondContact OH-O 2.7Å; Y128-L206 VanDerWaalsContact OH-O 3.08Å; L168-L206 HydrophobicContact CD1-CB 4.4Å; L168-L206 HydrophobicContact CD2-CB 3.99Å; L168-L206 HydrophobicContact CD2-CD1 4.16Å; Y202-L206 HydrophobicContact CD2-CD1 3.85Å; Y202-L206 HydrophobicContact CD2-CG 4.43Å; Y202-L206 HydrophobicContact CE1-CD1 4.28Å; Y202-L206 HydrophobicContact CE2-CD1 3.18Å; Y202-L206 HydrophobicContact CE2-CG 4.2Å; Y202-L206 VanDerWaalsContact CZ-CD1 3.42Å; Y202-L206 PolarHBondContact O-N 3.32Å; L206-L210 HydrophobicContact CD2-CD2 4.27Å; L206-P211 VanDerWaalsContact O-CD 3.24Å; L206-P211 WeakPolarHBondContact O-CD 3.4Å |
| 207 | G | 94.8 | Very high | 95 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | I | π-helix | trans | -81.8 | -23.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114 | F203 P211 | F203-G207 WeakPolarHBondContact O-CA 3.37Å; F203-G207 PolarHBondContact O-N 2.89Å; G207-P211 VanDerWaalsContact O-CG 3.28Å; G207-P211 WeakPolarHBondContact O-CG 3.27Å |
| 208 | I | 95 | Very high | 95.1 | Very high | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.015 | 24% | 0.238 | C | C | . | . | I | π-helix | trans | -127.1 | -59.6 | -172.3 | -57.3 | -179.9 | 0 | 0 | 0 | 112.1 | W123 Y127 F203 V204 P211 T212 F259 | W123-I208 HydrophobicContact CE3-CD1 4.41Å; Y127-I208 HydrophobicContact CD2-CB 4.5Å; Y127-I208 HydrophobicContact CD2-CG1 4.08Å; Y127-I208 HydrophobicContact CD2-CG2 4.39Å; Y127-I208 HydrophobicContact CE1-CG2 4.12Å; Y127-I208 HydrophobicContact CE2-CB 4.4Å; Y127-I208 HydrophobicContact CE2-CD1 4.42Å; Y127-I208 HydrophobicContact CE2-CG1 3.99Å; Y127-I208 HydrophobicContact CE2-CG2 3.92Å; F203-I208 HydrophobicContact CD1-CD1 4.42Å; F203-I208 HydrophobicContact CE1-CD1 3.73Å; F203-I208 HydrophobicContact CE1-CG1 4.37Å; F203-I208 HydrophobicContact CZ-CD1 4.16Å; F203-I208 HydrophobicContact CZ-CG1 4.45Å; V204-I208 WeakPolarHBondContact O-CB 3.36Å; V204-I208 PolarHBondContact O-N 2.85Å; I208-P211 WeakPolarHBondContact O-CD 3.4Å; I208-P211 WeakPolarHBondContact O-CG 3.26Å; I208-T212 WeakPolarHBondContact O-CB 3.39Å; I208-T212 PolarHBondContact O-N 3.26Å; I208-T212 PolarHBondContact O-OG1 2.89Å; I208-F259 HydrophobicContact CD1-CE1 4.34Å; I208-F259 HydrophobicContact CD1-CE2 3.39Å; I208-F259 HydrophobicContact CD1-CZ 3.24Å |
| 209 | L | 95.6 | Very high | 95.1 | Very high | 61 Ų | 61 | 40.4 Ų | 40.4 | 32% | 0.319 | 21% | 0.213 | S | C | . | . | I | π-helix | trans | -66.5 | -47.5 | -172.6 | -70.1 | 179.4 | 0 | 0 | 0 | 112.4 | V204 L205 T212 A213 W256 | V204-L209 HydrophobicContact CG1-CD1 3.92Å; V204-L209 HydrophobicContact CG1-CG 3.93Å; V204-L209 WeakPolarHBondContact O-CB 3.28Å; V204-L209 WeakPolarHBondContact O-CG 3.24Å; V204-L209 PolarHBondContact O-N 3.13Å; L205-L209 HydrophobicContact CD1-CD1 4.34Å; L209-T212 PolarHBondContact O-N 3.14Å; L209-A213 VanDerWaalsContact O-CB 3.27Å; L209-A213 WeakPolarHBondContact O-CB 3.5Å; L209-A213 PolarHBondContact O-N 3.27Å; L209-W256 HydrophobicContact CD2-CH2 3.48Å; L209-W256 VanDerWaalsContact CD2-CH2 3.48Å; L209-W256 HydrophobicContact CD2-CZ2 3.37Å |
| 210 | L | 96.2 | Very high | 95.1 | Very high | 78 Ų | 78 | 43.8 Ų | 43.8 | 41% | 0.408 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -58 | -56 | 177.7 | -179.6 | 71.3 | 0 | 0 | 0 | 112.2 | L205 L206 T212 A213 L214 | L205-L210 WeakPolarHBondContact O-CB 3.36Å; L205-L210 PolarHBondContact O-N 3.31Å; L206-L210 HydrophobicContact CD2-CD2 4.27Å; L210-T212 VanDerWaalsContact C-N 3.33Å; L210-T212 PolarHBondContact O-N 3.02Å; L210-A213 PolarHBondContact O-N 2.66Å; L210-L214 HydrophobicContact CG-CD1 4.45Å; L210-L214 WeakPolarHBondContact O-CG 3.36Å; L210-L214 PolarHBondContact O-N 2.9Å |
| 211 | P | 96.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.2 | -34.7 | 177.8 | 23.1 | -32.5 | 0 | 0 | 0 | 112.8 | Y127 Y128 T131 L206 G207 I208 L214 T215 | Y127-P211 HydrophobicContact CG-CG 4.45Å; Y128-P211 HydrophobicContact CD1-CB 4.25Å; Y128-P211 HydrophobicContact CE1-CB 4.35Å; T131-P211 WeakPolarHBondContact OG1-CA 3.4Å; T131-P211 WeakPolarHBondContact OG1-CB 3.32Å; T131-P211 PolarHBondContact OG1-O 3.48Å; L206-P211 VanDerWaalsContact O-CD 3.24Å; L206-P211 WeakPolarHBondContact O-CD 3.4Å; G207-P211 VanDerWaalsContact O-CG 3.28Å; G207-P211 WeakPolarHBondContact O-CG 3.27Å; I208-P211 WeakPolarHBondContact O-CD 3.4Å; I208-P211 WeakPolarHBondContact O-CG 3.26Å; P211-L214 PolarHBondContact O-N 3.43Å; P211-T215 WeakPolarHBondContact O-CB 3.28Å; P211-T215 PolarHBondContact O-N 3.07Å; P211-T215 PolarHBondContact O-OG1 3.39Å |
| 212 | T | 95.7 | Very high | 95 | Very high | 12 Ų | 12 | 47 Ų | 47 | 7% | 0.074 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.8 | -47.2 | 173.6 | -61.8 | 0 | 0 | 0 | 0 | 111.1 | Y127 I208 L209 L210 L214 T215 M216 H252 | Y127-T212 VanDerWaalsContact CD1-OG1 3.29Å; Y127-T212 WeakPolarHBondContact CD1-OG1 3.22Å; Y127-T212 WeakPolarHBondContact CE1-OG1 3.42Å; I208-T212 WeakPolarHBondContact O-CB 3.39Å; I208-T212 PolarHBondContact O-N 3.26Å; I208-T212 PolarHBondContact O-OG1 2.89Å; L209-T212 PolarHBondContact O-N 3.14Å; L210-T212 VanDerWaalsContact C-N 3.33Å; L210-T212 PolarHBondContact O-N 3.02Å; T212-L214 VanDerWaalsContact C-N 3.33Å; T212-L214 PolarHBondContact O-N 3.4Å; T212-T215 WeakPolarHBondContact O-CB 3.33Å; T212-T215 PolarHBondContact O-N 3.36Å; T212-M216 HydrophobicContact CG2-CE 4.07Å; T212-M216 HydrophobicContact CG2-CG 4.02Å; T212-M216 WeakPolarHBondContact O-CB 3.33Å; T212-M216 WeakPolarHBondContact O-CG 3.18Å; T212-M216 PolarHBondContact O-N 2.94Å; T212-H252 HydrophobicContact CG2-CB 3.99Å |
| 213 | A | 96.6 | Very high | 94.8 | Very high | 59 Ų | 59 | 43.5 Ų | 43.5 | 49% | 0.488 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.5 | -41.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L209 L210 M216 Y217 | L209-A213 VanDerWaalsContact O-CB 3.27Å; L209-A213 WeakPolarHBondContact O-CB 3.5Å; L209-A213 PolarHBondContact O-N 3.27Å; L210-A213 PolarHBondContact O-N 2.66Å; A213-M216 PolarHBondContact O-N 3.24Å; A213-Y217 WeakPolarHBondContact O-CB 3.19Å; A213-Y217 PolarHBondContact O-N 3.31Å |
| 214 | L | 95.9 | Very high | 94.5 | Very high | 81 Ų | 81 | 45.3 Ų | 45.3 | 42% | 0.424 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -64.6 | -44.6 | 175.1 | -67.5 | 174.4 | 0 | 0 | 0 | 111.7 | T131 L210 P211 T212 M216 Y217 S218 | T131-L214 HydrophobicContact CG2-CB 3.66Å; T131-L214 HydrophobicContact CG2-CD1 4.23Å; L210-L214 HydrophobicContact CG-CD1 4.45Å; L210-L214 WeakPolarHBondContact O-CG 3.36Å; L210-L214 PolarHBondContact O-N 2.9Å; P211-L214 PolarHBondContact O-N 3.43Å; T212-L214 VanDerWaalsContact C-N 3.33Å; T212-L214 PolarHBondContact O-N 3.4Å; L214-M216 VanDerWaalsContact C-N 3.33Å; L214-M216 PolarHBondContact O-N 2.98Å; L214-Y217 PolarHBondContact O-N 3.43Å; L214-S218 PolarHBondContact O-N 3.2Å; L214-S218 PolarHBondContact O-OG 3.46Å |
| 215 | T | 95.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.6 | -45.4 | 175 | -61.2 | 0 | 0 | 0 | 0 | 111.4 | T131 A134 P211 T212 S218 Y219 H252 | T131-T215 WeakPolarHBondContact CA-OG1 3.31Å; T131-T215 PolarHBondContact N-OG1 2.8Å; T131-T215 PolarHBondContact OG1-OG1 3.43Å; A134-T215 HydrophobicContact CB-CG2 3.89Å; P211-T215 WeakPolarHBondContact O-CB 3.28Å; P211-T215 PolarHBondContact O-N 3.07Å; P211-T215 PolarHBondContact O-OG1 3.39Å; T212-T215 WeakPolarHBondContact O-CB 3.33Å; T212-T215 PolarHBondContact O-N 3.36Å; T215-S218 PolarHBondContact O-N 3.29Å; T215-Y219 HydrophobicContact CG2-CD2 3.74Å; T215-Y219 HydrophobicContact CG2-CE2 3.73Å; T215-Y219 WeakPolarHBondContact O-CD2 3.19Å; T215-Y219 PolarHBondContact O-N 2.98Å; T215-H252 WeakPolarHBondContact CG2-NE2 3.5Å |
| 216 | M | 95.3 | Very high | 93.6 | Very high | 39 Ų | 39 | 42.7 Ų | 42.7 | 19% | 0.192 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.9 | -49.3 | 178.2 | -69.7 | -72.9 | 166.9 | 0 | 0 | 110.9 | T212 A213 L214 S218 Y219 V220 F249 H252 F253 | T212-M216 HydrophobicContact CG2-CE 4.07Å; T212-M216 HydrophobicContact CG2-CG 4.02Å; T212-M216 WeakPolarHBondContact O-CB 3.33Å; T212-M216 WeakPolarHBondContact O-CG 3.18Å; T212-M216 PolarHBondContact O-N 2.94Å; A213-M216 PolarHBondContact O-N 3.24Å; L214-M216 VanDerWaalsContact C-N 3.33Å; L214-M216 PolarHBondContact O-N 2.98Å; M216-S218 PolarHBondContact O-N 2.97Å; M216-Y219 PolarHBondContact O-N 3.01Å; M216-V220 WeakPolarHBondContact O-CB 3.35Å; M216-V220 VanDerWaalsContact O-CG2 3.23Å; M216-V220 WeakPolarHBondContact O-CG2 3.45Å; M216-V220 PolarHBondContact O-N 3.07Å; M216-F249 HydrophobicContact CE-CB 4.25Å; M216-F249 HydrophobicContact CE-CD1 3.8Å; M216-F249 HydrophobicContact CE-CG 4.47Å; M216-F249 HydrophobicContact SD-CB 4.38Å; M216-F249 HydrophobicContact SD-CD1 3.17Å; M216-F249 WeakPolarHBondContact SD-CD1 3.46Å; M216-F249 HydrophobicContact SD-CE1 3.54Å; M216-F249 VanDerWaalsContact SD-CE1 3.54Å; M216-F249 HydrophobicContact SD-CG 4.04Å; M216-H252 HydrophobicContact CE-CB 3.6Å; M216-F253 HydrophobicContact CE-CE2 4.01Å |
| 217 | Y | 95.9 | Very high | 93.1 | Very high | 142 Ų | 142 | 49.7 Ų | 49.7 | 56% | 0.557 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -56.3 | -49.1 | 175.7 | 173.3 | -100.3 | 0 | 0 | 0 | 112.1 | A213 L214 Y219 V220 R221 | A213-Y217 WeakPolarHBondContact O-CB 3.19Å; A213-Y217 PolarHBondContact O-N 3.31Å; L214-Y217 PolarHBondContact O-N 3.43Å; Y217-Y219 PolarHBondContact O-N 3.2Å; Y217-V220 PolarHBondContact O-N 3.38Å; Y217-R221 HydrophobicContact CD2-CG 4.43Å; Y217-R221 HydrophobicContact CE1-CG 4.2Å; Y217-R221 HydrophobicContact CE2-CG 4.02Å; Y217-R221 WeakPolarHBondContact O-CG 3.47Å; Y217-R221 PolarHBondContact O-N 3.33Å |
| 218 | S | 93.6 | Very high | 92.7 | Very high | 13 Ų | 13 | 57 Ų | 57 | 9% | 0.091 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.8 | -47.2 | -179.6 | -71.1 | 0 | 0 | 0 | 0 | 112.3 | L214 T215 M216 R221 V222 | L214-S218 PolarHBondContact O-N 3.2Å; L214-S218 PolarHBondContact O-OG 3.46Å; T215-S218 PolarHBondContact O-N 3.29Å; M216-S218 PolarHBondContact O-N 2.97Å; S218-R221 WeakPolarHBondContact O-CB 3.48Å; S218-R221 PolarHBondContact O-N 2.91Å; S218-V222 WeakPolarHBondContact O-CG2 3.44Å; S218-V222 PolarHBondContact O-N 3.26Å |
| 219 | Y | 93.3 | Very high | 92.1 | Very high | 2 Ų | 2 | 58.7 Ų | 58.7 | 1% | 0.008 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -75.8 | -30.9 | -179.2 | -75.4 | -50 | 0 | 0 | 0 | 113.8 | A134 H137 T215 M216 Y217 R221 V222 L223 L245 V248 F249 Y290 | A134-Y219 HydrophobicContact CB-CD2 3.88Å; A134-Y219 HydrophobicContact CB-CE1 4.16Å; A134-Y219 HydrophobicContact CB-CE2 3.45Å; A134-Y219 VanDerWaalsContact CB-CE2 3.45Å; A134-Y219 HydrophobicContact CB-CG 4.39Å; H137-Y219 HydrophobicContact CB-CE1 4.19Å; H137-Y219 AromaticContact ND1-CE1 3.63Å; H137-Y219 AromaticContact ND1-CZ 3.88Å; H137-Y219 PolarHBondContact ND1-OH 3.37Å; T215-Y219 HydrophobicContact CG2-CD2 3.74Å; T215-Y219 HydrophobicContact CG2-CE2 3.73Å; T215-Y219 WeakPolarHBondContact O-CD2 3.19Å; T215-Y219 PolarHBondContact O-N 2.98Å; M216-Y219 PolarHBondContact O-N 3.01Å; Y217-Y219 PolarHBondContact O-N 3.2Å; Y219-R221 VanDerWaalsContact C-N 3.27Å; Y219-R221 PolarHBondContact O-N 3.05Å; Y219-V222 PolarHBondContact O-N 3.41Å; Y219-L223 WeakPolarHBondContact O-CG 3.39Å; Y219-L223 PolarHBondContact O-N 3.36Å; Y219-L245 HydrophobicContact CD1-CD2 3.44Å; Y219-L245 VanDerWaalsContact CD1-CD2 3.44Å; Y219-L245 HydrophobicContact CD1-CG 4.47Å; Y219-L245 HydrophobicContact CE1-CD2 3.39Å; Y219-L245 HydrophobicContact CG-CD2 4.28Å; Y219-V248 HydrophobicContact CD2-CG1 4.21Å; Y219-V248 HydrophobicContact CE2-CB 4.3Å; Y219-V248 HydrophobicContact CE2-CG1 3.55Å; Y219-F249 HydrophobicContact CD2-CE1 4.09Å; Y219-F249 HydrophobicContact CG-CE1 4.17Å; Y219-F249 HydrophobicContact CG-CZ 4.36Å; Y219-Y290 PolarHBondContact OH-OH 3.2Å |
| 220 | V | 93.7 | Very high | 91.3 | Very high | 83 Ų | 83 | 58.9 Ų | 58.9 | 50% | 0.503 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61 | -41.1 | 170.3 | 167.6 | 0 | 0 | 0 | 0 | 110.1 | M216 Y217 L223 A224 F249 | M216-V220 WeakPolarHBondContact O-CB 3.35Å; M216-V220 VanDerWaalsContact O-CG2 3.23Å; M216-V220 WeakPolarHBondContact O-CG2 3.45Å; M216-V220 PolarHBondContact O-N 3.07Å; Y217-V220 PolarHBondContact O-N 3.38Å; V220-L223 PolarHBondContact O-N 3.45Å; V220-A224 WeakPolarHBondContact O-CB 3.33Å; V220-A224 PolarHBondContact O-N 2.94Å; V220-F249 HydrophobicContact CG2-CZ 4.12Å |
| 221 | R | 93.6 | Very high | 90.4 | Very high | 127 Ų | 127 | 61.2 Ų | 61.2 | 48% | 0.479 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64.5 | -40.7 | 174 | -70.7 | -68.7 | -62.9 | -178.6 | -1.8 | 112.4 | L138 Y217 S218 Y219 A224 I225 | L138-R221 HydrophobicContact CD1-CB 3.59Å; Y217-R221 HydrophobicContact CD2-CG 4.43Å; Y217-R221 HydrophobicContact CE1-CG 4.2Å; Y217-R221 HydrophobicContact CE2-CG 4.02Å; Y217-R221 WeakPolarHBondContact O-CG 3.47Å; Y217-R221 PolarHBondContact O-N 3.33Å; S218-R221 WeakPolarHBondContact O-CB 3.48Å; S218-R221 PolarHBondContact O-N 2.91Å; Y219-R221 VanDerWaalsContact C-N 3.27Å; Y219-R221 PolarHBondContact O-N 3.05Å; R221-A224 PolarHBondContact O-N 3.47Å; R221-I225 WeakPolarHBondContact O-CG1 3.16Å; R221-I225 PolarHBondContact O-N 3.38Å |
| 222 | V | 90.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.1 | -45.9 | 173.2 | 172 | 0 | 0 | 0 | 0 | 111.2 | L138 F141 S218 Y219 A224 I225 F226 L245 | L138-V222 HydrophobicContact CB-CG2 4.16Å; L138-V222 HydrophobicContact CD1-CG2 4.11Å; F141-V222 HydrophobicContact CD2-CB 4.47Å; F141-V222 HydrophobicContact CD2-CG1 3.57Å; F141-V222 HydrophobicContact CD2-CG2 4.04Å; F141-V222 HydrophobicContact CE2-CG1 3.95Å; F141-V222 HydrophobicContact CG-CG1 4.27Å; S218-V222 WeakPolarHBondContact O-CG2 3.44Å; S218-V222 PolarHBondContact O-N 3.26Å; Y219-V222 PolarHBondContact O-N 3.41Å; V222-A224 VanDerWaalsContact C-N 3.33Å; V222-A224 PolarHBondContact O-N 2.84Å; V222-I225 WeakPolarHBondContact O-CB 3.29Å; V222-I225 PolarHBondContact O-N 2.98Å; V222-F226 HydrophobicContact CG1-CD2 4.27Å; V222-F226 HydrophobicContact CG1-CE1 4.15Å; V222-F226 HydrophobicContact CG1-CE2 3.76Å; V222-F226 HydrophobicContact CG1-CZ 3.71Å; V222-F226 WeakPolarHBondContact O-CG 3.5Å; V222-F226 PolarHBondContact O-N 2.98Å; V222-L245 HydrophobicContact CG1-CD1 3.81Å |
| 223 | L | 89.9 | Confident | 87.8 | Confident | 39 Ų | 39 | 64.5 Ų | 64.5 | 20% | 0.204 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.6 | -38.9 | 176.3 | -73.9 | 178.4 | 0 | 0 | 0 | 112.5 | Y219 V220 I225 F226 Y227 L245 F246 F249 | Y219-L223 WeakPolarHBondContact O-CG 3.39Å; Y219-L223 PolarHBondContact O-N 3.36Å; V220-L223 PolarHBondContact O-N 3.45Å; L223-I225 VanDerWaalsContact C-N 3.33Å; L223-I225 PolarHBondContact O-N 3.4Å; L223-F226 HydrophobicContact CD2-CD2 4.24Å; L223-F226 WeakPolarHBondContact O-CB 3.49Å; L223-F226 PolarHBondContact O-N 3.31Å; L223-Y227 PolarHBondContact O-N 2.95Å; L223-L245 HydrophobicContact CD2-CD1 3.77Å; L223-L245 HydrophobicContact CG-CD1 4.12Å; L223-F246 HydrophobicContact CD1-CE1 3.93Å; L223-F246 HydrophobicContact CD1-CZ 4.23Å; L223-F246 HydrophobicContact CD2-CZ 4.46Å; L223-F249 HydrophobicContact CD1-CE2 3.7Å; L223-F249 HydrophobicContact CD1-CZ 4.35Å |
| 224 | A | 90.6 | Very high | 86.9 | Confident | 37 Ų | 37 | 68 Ų | 68 | 31% | 0.306 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.5 | -41.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | V220 R221 V222 F226 Y227 H228 | V220-A224 WeakPolarHBondContact O-CB 3.33Å; V220-A224 PolarHBondContact O-N 2.94Å; R221-A224 PolarHBondContact O-N 3.47Å; V222-A224 VanDerWaalsContact C-N 3.33Å; V222-A224 PolarHBondContact O-N 2.84Å; A224-F226 VanDerWaalsContact C-N 3.34Å; A224-F226 PolarHBondContact O-N 3.38Å; A224-Y227 PolarHBondContact O-N 3.34Å; A224-H228 PolarHBondContact O-CD2 2.88Å; A224-H228 PolarHBondContact O-N 2.99Å; A224-H228 VanDerWaalsContact O-N 3.16Å |
| 225 | I | 87.3 | Confident | 85.6 | Confident | 45 Ų | 45 | 68.1 Ų | 68.1 | 23% | 0.231 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.4 | -43.8 | 174.4 | -66.3 | 164.7 | 0 | 0 | 0 | 110.6 | L138 F141 R221 V222 L223 Y227 H228 A229 F233 | L138-I225 HydrophobicContact CD1-CD1 4.39Å; F141-I225 HydrophobicContact CB-CD1 4.4Å; R221-I225 WeakPolarHBondContact O-CG1 3.16Å; R221-I225 PolarHBondContact O-N 3.38Å; V222-I225 WeakPolarHBondContact O-CB 3.29Å; V222-I225 PolarHBondContact O-N 2.98Å; L223-I225 VanDerWaalsContact C-N 3.33Å; L223-I225 PolarHBondContact O-N 3.4Å; I225-Y227 VanDerWaalsContact C-N 3.32Å; I225-Y227 PolarHBondContact O-N 2.8Å; I225-H228 PolarHBondContact O-N 3.38Å; I225-A229 PolarHBondContact O-N 2.83Å; I225-F233 HydrophobicContact CG2-CE2 4.18Å; I225-F233 HydrophobicContact CG2-CZ 4.14Å |
| 226 | F | 83.8 | Confident | 84.3 | Confident | 25 Ų | 25 | 71.3 Ų | 71.3 | 11% | 0.11 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61.7 | -39.8 | 176.5 | -69.2 | -14 | 0 | 0 | 0 | 112.8 | F141 V222 L223 A224 H228 A229 F233 L245 | F141-F226 AromaticContact CD1-CE1 3.65Å; F141-F226 HydrophobicContact CD1-CE1 3.65Å; F141-F226 HydrophobicContact CD1-CZ 4.2Å; F141-F226 HydrophobicContact CD2-CE1 4.33Å; F141-F226 HydrophobicContact CD2-CZ 4.25Å; F141-F226 AromaticContact CE1-CE1 3.53Å; F141-F226 HydrophobicContact CE1-CE1 3.53Å; F141-F226 AromaticContact CE1-CZ 3.74Å; F141-F226 HydrophobicContact CE1-CZ 3.74Å; F141-F226 HydrophobicContact CE2-CE1 4.22Å; F141-F226 AromaticContact CE2-CZ 3.8Å; F141-F226 HydrophobicContact CE2-CZ 3.8Å; F141-F226 HydrophobicContact CG-CE1 4.08Å; F141-F226 HydrophobicContact CG-CZ 4.45Å; F141-F226 AromaticContact CZ-CE1 3.84Å; F141-F226 HydrophobicContact CZ-CE1 3.84Å; F141-F226 AromaticContact CZ-CZ 3.53Å; F141-F226 HydrophobicContact CZ-CZ 3.53Å; V222-F226 HydrophobicContact CG1-CD2 4.27Å; V222-F226 HydrophobicContact CG1-CE1 4.15Å; V222-F226 HydrophobicContact CG1-CE2 3.76Å; V222-F226 HydrophobicContact CG1-CZ 3.71Å; V222-F226 WeakPolarHBondContact O-CG 3.5Å; V222-F226 PolarHBondContact O-N 2.98Å; L223-F226 HydrophobicContact CD2-CD2 4.24Å; L223-F226 WeakPolarHBondContact O-CB 3.49Å; L223-F226 PolarHBondContact O-N 3.31Å; A224-F226 VanDerWaalsContact C-N 3.34Å; A224-F226 PolarHBondContact O-N 3.38Å; F226-H228 VanDerWaalsContact C-N 3.33Å; F226-H228 PolarHBondContact O-N 2.9Å; F226-A229 PolarHBondContact O-N 2.91Å; F226-F233 HydrophobicContact CB-CD2 4.43Å; F226-F233 AromaticContact CD1-CD1 3.77Å; F226-F233 HydrophobicContact CD1-CD1 3.77Å; F226-F233 AromaticContact CD1-CD2 3.51Å; F226-F233 HydrophobicContact CD1-CD2 3.51Å; F226-F233 AromaticContact CD1-CE1 3.64Å; F226-F233 HydrophobicContact CD1-CE1 3.64Å; F226-F233 AromaticContact CD1-CE2 3.37Å; F226-F233 HydrophobicContact CD1-CE2 3.37Å; F226-F233 AromaticContact CD1-CG 3.73Å; F226-F233 HydrophobicContact CD1-CG 3.73Å; F226-F233 AromaticContact CD1-CZ 3.42Å; F226-F233 HydrophobicContact CD1-CZ 3.42Å; F226-F233 VanDerWaalsContact CD1-CZ 3.42Å; F226-F233 AromaticContact CE1-CD1 3.52Å; F226-F233 HydrophobicContact CE1-CD1 3.52Å; F226-F233 HydrophobicContact CE1-CD2 4.15Å; F226-F233 AromaticContact CE1-CE1 3.28Å; F226-F233 HydrophobicContact CE1-CE1 3.28Å; F226-F233 AromaticContact CE1-CE2 3.95Å; F226-F233 HydrophobicContact CE1-CE2 3.95Å; F226-F233 AromaticContact CE1-CG 3.97Å; F226-F233 HydrophobicContact CE1-CG 3.97Å; F226-F233 AromaticContact CE1-CZ 3.5Å; F226-F233 HydrophobicContact CE1-CZ 3.5Å; F226-F233 VanDerWaalsContact CE1-CZ 3.5Å; F226-F233 HydrophobicContact CG-CD2 4.31Å; F226-F233 HydrophobicContact CG-CE2 4.42Å; F226-F233 HydrophobicContact CZ-CD1 4.46Å; F226-F233 HydrophobicContact CZ-CE1 4.42Å; F226-L245 HydrophobicContact CD2-CD1 4.34Å; F226-L245 HydrophobicContact CE2-CD1 3.77Å |
| 227 | Y | 85.4 | Confident | 82.9 | Confident | 197 Ų | 197 | 70.7 Ų | 70.7 | 77% | 0.773 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -65.3 | -36 | 179.2 | -174.2 | -98.5 | 0 | 0 | 0 | 112.5 | L223 A224 I225 | L223-Y227 PolarHBondContact O-N 2.95Å; A224-Y227 PolarHBondContact O-N 3.34Å; I225-Y227 VanDerWaalsContact C-N 3.32Å; I225-Y227 PolarHBondContact O-N 2.8Å |
| 228 | H | 86.7 | Confident | 81.6 | Confident | 155 Ų | 155 | 65.4 Ų | 65.4 | 72% | 0.718 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -80.5 | -20 | -179.7 | -73.6 | -62.2 | 0 | 0 | 0 | 114.5 | A224 I225 F226 | A224-H228 PolarHBondContact O-CD2 2.88Å; A224-H228 PolarHBondContact O-N 2.99Å; A224-H228 VanDerWaalsContact O-N 3.16Å; I225-H228 PolarHBondContact O-N 3.38Å; F226-H228 VanDerWaalsContact C-N 3.33Å; F226-H228 PolarHBondContact O-N 2.9Å |
| 229 | A | 82.6 | Confident | 80.4 | Confident | 37 Ų | 37 | 68.9 Ų | 68.9 | 31% | 0.306 | 36% | 0.356 | S | S | . | . | trans | -134.2 | 54.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | I225 F226 I231 V232 F233 | I225-A229 PolarHBondContact O-N 2.83Å; F226-A229 PolarHBondContact O-N 2.91Å; A229-I231 VanDerWaalsContact C-N 3.31Å; A229-I231 PolarHBondContact O-N 3.43Å; A229-V232 PolarHBondContact O-N 2.82Å; A229-F233 HydrophobicContact CB-CE2 4.23Å; A229-F233 WeakPolarHBondContact O-CD2 3.43Å | ||
| 230 | P | 78.4 | Confident | 79.6 | Confident | 65 Ų | 65 | 75.8 Ų | 75.8 | 42% | 0.422 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61.2 | -38.1 | -171.3 | 24.8 | -34.3 | 0 | 0 | 0 | 113 | V232 F233 E234 | P230-V232 VanDerWaalsContact C-N 3.32Å; P230-V232 PolarHBondContact O-N 2.95Å; P230-F233 PolarHBondContact O-N 3.28Å; P230-E234 PolarHBondContact O-N 2.96Å |
| 231 | I | 78.2 | Confident | 78.9 | Confident | 128 Ų | 128 | 72.8 Ų | 72.8 | 66% | 0.656 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -59.3 | -43.5 | -177.6 | -63.4 | 166 | 0 | 0 | 0 | 111 | A229 F233 E234 T235 | A229-I231 VanDerWaalsContact C-N 3.31Å; A229-I231 PolarHBondContact O-N 3.43Å; I231-F233 VanDerWaalsContact C-N 3.32Å; I231-F233 PolarHBondContact O-N 3.4Å; I231-E234 PolarHBondContact O-N 2.68Å; I231-T235 VanDerWaalsContact O-CG2 3.31Å; I231-T235 WeakPolarHBondContact O-CG2 3.43Å; I231-T235 PolarHBondContact O-N 2.81Å; I231-T235 VanDerWaalsContact O-N 3.08Å; I231-T235 PolarHBondContact O-OG1 3.47Å |
| 232 | V | 70 | Confident | 78.4 | Confident | 62 Ų | 62 | 70.4 Ų | 70.4 | 38% | 0.376 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65 | -40 | -178.8 | -178.1 | 0 | 0 | 0 | 0 | 110.4 | A229 P230 T235 L236 | A229-V232 PolarHBondContact O-N 2.82Å; P230-V232 VanDerWaalsContact C-N 3.32Å; P230-V232 PolarHBondContact O-N 2.95Å; V232-T235 PolarHBondContact O-N 3.25Å; V232-T235 PolarHBondContact O-OG1 2.94Å; V232-L236 HydrophobicContact CG1-CD1 4.19Å; V232-L236 WeakPolarHBondContact O-CG 3.25Å; V232-L236 PolarHBondContact O-N 3.41Å; V232-L236 VanDerWaalsContact O-N 3.15Å |
| 233 | F | 67.9 | Low | 78.2 | Confident | 19 Ų | 19 | 76.9 Ų | 76.9 | 8% | 0.083 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -75.5 | -32.9 | -179.1 | -69.4 | -66.9 | 0 | 0 | 0 | 113.9 | F141 I225 F226 A229 P230 I231 T235 L236 G237 L238 | F141-F233 AromaticContact CD1-CE1 3.61Å; F141-F233 HydrophobicContact CD1-CE1 3.61Å; F141-F233 AromaticContact CD1-CZ 3.99Å; F141-F233 HydrophobicContact CD1-CZ 3.99Å; F141-F233 HydrophobicContact CE1-CD1 4.37Å; F141-F233 AromaticContact CE1-CE1 3.64Å; F141-F233 HydrophobicContact CE1-CE1 3.64Å; F141-F233 HydrophobicContact CE1-CZ 4.44Å; I225-F233 HydrophobicContact CG2-CE2 4.18Å; I225-F233 HydrophobicContact CG2-CZ 4.14Å; F226-F233 HydrophobicContact CB-CD2 4.43Å; F226-F233 AromaticContact CD1-CD1 3.77Å; F226-F233 HydrophobicContact CD1-CD1 3.77Å; F226-F233 AromaticContact CD1-CD2 3.51Å; F226-F233 HydrophobicContact CD1-CD2 3.51Å; F226-F233 AromaticContact CD1-CE1 3.64Å; F226-F233 HydrophobicContact CD1-CE1 3.64Å; F226-F233 AromaticContact CD1-CE2 3.37Å; F226-F233 HydrophobicContact CD1-CE2 3.37Å; F226-F233 AromaticContact CD1-CG 3.73Å; F226-F233 HydrophobicContact CD1-CG 3.73Å; F226-F233 AromaticContact CD1-CZ 3.42Å; F226-F233 HydrophobicContact CD1-CZ 3.42Å; F226-F233 VanDerWaalsContact CD1-CZ 3.42Å; F226-F233 AromaticContact CE1-CD1 3.52Å; F226-F233 HydrophobicContact CE1-CD1 3.52Å; F226-F233 HydrophobicContact CE1-CD2 4.15Å; F226-F233 AromaticContact CE1-CE1 3.28Å; F226-F233 HydrophobicContact CE1-CE1 3.28Å; F226-F233 AromaticContact CE1-CE2 3.95Å; F226-F233 HydrophobicContact CE1-CE2 3.95Å; F226-F233 AromaticContact CE1-CG 3.97Å; F226-F233 HydrophobicContact CE1-CG 3.97Å; F226-F233 AromaticContact CE1-CZ 3.5Å; F226-F233 HydrophobicContact CE1-CZ 3.5Å; F226-F233 VanDerWaalsContact CE1-CZ 3.5Å; F226-F233 HydrophobicContact CG-CD2 4.31Å; F226-F233 HydrophobicContact CG-CE2 4.42Å; F226-F233 HydrophobicContact CZ-CD1 4.46Å; F226-F233 HydrophobicContact CZ-CE1 4.42Å; A229-F233 HydrophobicContact CB-CE2 4.23Å; A229-F233 WeakPolarHBondContact O-CD2 3.43Å; P230-F233 PolarHBondContact O-N 3.28Å; I231-F233 VanDerWaalsContact C-N 3.32Å; I231-F233 PolarHBondContact O-N 3.4Å; F233-T235 VanDerWaalsContact C-N 3.33Å; F233-L236 HydrophobicContact CD1-CD1 4.44Å; F233-L236 PolarHBondContact O-N 2.87Å; F233-G237 PolarHBondContact O-N 2.85Å; F233-L238 HydrophobicContact CD1-CB 4.3Å; F233-L238 HydrophobicContact CD1-CD1 4.21Å; F233-L238 PolarHBondContact O-N 3.15Å |
| 234 | E | 76.2 | Confident | 78 | Confident | 133 Ų | 133 | 76.2 Ų | 76.2 | 62% | 0.621 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -63.5 | -42.2 | 171.6 | -170.9 | 173.7 | -179.5 | 0 | 0 | 110.9 | P230 I231 L236 G237 | P230-E234 PolarHBondContact O-N 2.96Å; I231-E234 PolarHBondContact O-N 2.68Å; E234-L236 VanDerWaalsContact C-N 3.28Å; E234-L236 PolarHBondContact O-N 3.43Å; E234-G237 PolarHBondContact O-N 2.69Å; E234-G237 VanDerWaalsContact O-N 3.14Å |
| 235 | T | 69.5 | Low | 77.9 | Confident | 83 Ų | 83 | 75 Ų | 75 | 51% | 0.509 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -65 | -30.8 | 176.5 | 61.2 | 0 | 0 | 0 | 0 | 113.4 | I231 V232 F233 G237 | I231-T235 VanDerWaalsContact O-CG2 3.31Å; I231-T235 WeakPolarHBondContact O-CG2 3.43Å; I231-T235 PolarHBondContact O-N 2.81Å; I231-T235 VanDerWaalsContact O-N 3.08Å; I231-T235 PolarHBondContact O-OG1 3.47Å; V232-T235 PolarHBondContact O-N 3.25Å; V232-T235 PolarHBondContact O-OG1 2.94Å; F233-T235 VanDerWaalsContact C-N 3.33Å; T235-G237 VanDerWaalsContact C-N 3.33Å |
| 236 | L | 68 | Low | 78 | Confident | 66 Ų | 66 | 77.8 Ų | 77.8 | 35% | 0.346 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -6.3 | 176.3 | -70 | 171.2 | 0 | 0 | 0 | 113.9 | V232 F233 E234 L238 | V232-L236 HydrophobicContact CG1-CD1 4.19Å; V232-L236 WeakPolarHBondContact O-CG 3.25Å; V232-L236 PolarHBondContact O-N 3.41Å; V232-L236 VanDerWaalsContact O-N 3.15Å; F233-L236 HydrophobicContact CD1-CD1 4.44Å; F233-L236 PolarHBondContact O-N 2.87Å; E234-L236 VanDerWaalsContact C-N 3.28Å; E234-L236 PolarHBondContact O-N 3.43Å; L236-L238 HydrophobicContact CB-CB 4.46Å; L236-L238 HydrophobicContact CB-CD1 3.78Å; L236-L238 HydrophobicContact CB-CG 4.11Å; L236-L238 HydrophobicContact CD1-CD1 3.95Å; L236-L238 HydrophobicContact CG-CD1 4.48Å; L236-L238 PolarHBondContact O-N 2.88Å; L236-L238 VanDerWaalsContact O-N 3.17Å |
| 237 | G | 66.3 | Low | 78.4 | Confident | 27 Ų | 27 | 78.4 Ų | 78.4 | 28% | 0.278 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.9 | -9.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | F233 E234 T235 F239 | F233-G237 PolarHBondContact O-N 2.85Å; E234-G237 PolarHBondContact O-N 2.69Å; E234-G237 VanDerWaalsContact O-N 3.14Å; T235-G237 VanDerWaalsContact C-N 3.33Å; G237-F239 PolarHBondContact O-N 3.45Å |
| 238 | L | 68.6 | Low | 78.7 | Confident | 30 Ų | 30 | 69.1 Ų | 69.1 | 16% | 0.157 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -67.9 | -3.3 | -176.1 | -71.4 | 164.4 | 0 | 0 | 0 | 114.6 | F141 F233 L236 K240 S241 | F141-L238 HydrophobicContact CE1-CD1 4.13Å; F233-L238 HydrophobicContact CD1-CB 4.3Å; F233-L238 HydrophobicContact CD1-CD1 4.21Å; F233-L238 PolarHBondContact O-N 3.15Å; L236-L238 HydrophobicContact CB-CB 4.46Å; L236-L238 HydrophobicContact CB-CD1 3.78Å; L236-L238 HydrophobicContact CB-CG 4.11Å; L236-L238 HydrophobicContact CD1-CD1 3.95Å; L236-L238 HydrophobicContact CG-CD1 4.48Å; L236-L238 PolarHBondContact O-N 2.88Å; L236-L238 VanDerWaalsContact O-N 3.17Å; L238-K240 VanDerWaalsContact C-N 3.26Å; L238-K240 PolarHBondContact O-N 3.46Å; L238-S241 WeakPolarHBondContact O-CB 3.23Å; L238-S241 PolarHBondContact O-N 3.24Å |
| 239 | F | 68.6 | Low | 79 | Confident | 87 Ų | 87 | 63 Ų | 63 | 38% | 0.382 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -58.9 | -35.5 | -177.4 | -167.1 | -101.3 | 0 | 0 | 0 | 113.1 | G237 S241 R242 | G237-F239 PolarHBondContact O-N 3.45Å; F239-S241 VanDerWaalsContact C-N 3.28Å; F239-S241 PolarHBondContact O-N 2.92Å; F239-R242 VanDerWaalsContact O-CD 3.27Å; F239-R242 WeakPolarHBondContact O-CD 3.46Å; F239-R242 WeakPolarHBondContact O-CG 3.5Å |
| 240 | K | 77.1 | Confident | 79.5 | Confident | 147 Ų | 147 | 64.1 Ų | 64.1 | 64% | 0.639 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -69.5 | -26.1 | 176.4 | -66.4 | -178.1 | 179.7 | 174.2 | 0 | 112.7 | L238 R242 Y243 M296 | L238-K240 VanDerWaalsContact C-N 3.26Å; L238-K240 PolarHBondContact O-N 3.46Å; K240-R242 PolarHBondContact O-N 3.49Å; K240-Y243 WeakPolarHBondContact O-CD2 3.45Å; K240-Y243 PolarHBondContact O-N 3.23Å; K240-M296 HydrophobicContact CB-CE 3.42Å; K240-M296 VanDerWaalsContact CB-CE 3.42Å; K240-M296 HydrophobicContact CD-CE 4.32Å |
| 241 | S | 78.4 | Confident | 80.2 | Confident | 20 Ų | 20 | 61.1 Ų | 61.1 | 14% | 0.14 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.6 | -23.7 | -179.7 | -169.6 | 0 | 0 | 0 | 0 | 113 | L238 F239 Y243 L244 L245 | L238-S241 WeakPolarHBondContact O-CB 3.23Å; L238-S241 PolarHBondContact O-N 3.24Å; F239-S241 VanDerWaalsContact C-N 3.28Å; F239-S241 PolarHBondContact O-N 2.92Å; S241-Y243 PolarHBondContact O-N 3.16Å; S241-Y243 VanDerWaalsContact O-N 3.17Å; S241-L244 WeakPolarHBondContact O-CB 3.46Å; S241-L244 PolarHBondContact O-N 3.07Å; S241-L245 PolarHBondContact O-N 3.46Å |
| 242 | R | 82 | Confident | 80.8 | Confident | 77 Ų | 77 | 55 Ų | 55 | 29% | 0.291 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -57 | -32.9 | 175.7 | 78.7 | -168.1 | 179.3 | 162.9 | -1.9 | 113.4 | F239 K240 L244 L245 F246 | F239-R242 VanDerWaalsContact O-CD 3.27Å; F239-R242 WeakPolarHBondContact O-CD 3.46Å; F239-R242 WeakPolarHBondContact O-CG 3.5Å; K240-R242 PolarHBondContact O-N 3.49Å; R242-L244 VanDerWaalsContact C-N 3.3Å; R242-L244 PolarHBondContact O-N 2.69Å; R242-L245 WeakPolarHBondContact O-CB 3.38Å; R242-L245 PolarHBondContact O-N 3.43Å; R242-F246 VanDerWaalsContact O-CD2 3.31Å; R242-F246 WeakPolarHBondContact O-CD2 3.16Å; R242-F246 PolarHBondContact O-N 2.88Å |
| 243 | Y | 85.9 | Confident | 81.9 | Confident | 135 Ų | 135 | 57.7 Ų | 57.7 | 53% | 0.529 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -69.9 | -30.2 | 178.6 | -64.6 | -71.3 | 0 | 0 | 0 | 112.1 | K240 S241 L245 F246 A247 | K240-Y243 WeakPolarHBondContact O-CD2 3.45Å; K240-Y243 PolarHBondContact O-N 3.23Å; S241-Y243 PolarHBondContact O-N 3.16Å; S241-Y243 VanDerWaalsContact O-N 3.17Å; Y243-L245 VanDerWaalsContact C-N 3.31Å; Y243-F246 HydrophobicContact CD1-CD2 4.47Å; Y243-F246 PolarHBondContact O-N 3.18Å; Y243-A247 PolarHBondContact O-N 3.01Å; Y243-A247 VanDerWaalsContact O-N 3.09Å |
| 244 | L | 86.6 | Confident | 83.2 | Confident | 25 Ų | 25 | 58.8 Ų | 58.8 | 13% | 0.131 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66.8 | -35.2 | 172.9 | -62.7 | 172.7 | 0 | 0 | 0 | 111.2 | S241 R242 F246 A247 V248 I289 V292 M296 | S241-L244 WeakPolarHBondContact O-CB 3.46Å; S241-L244 PolarHBondContact O-N 3.07Å; R242-L244 VanDerWaalsContact C-N 3.3Å; R242-L244 PolarHBondContact O-N 2.69Å; L244-F246 VanDerWaalsContact C-N 3.33Å; L244-F246 PolarHBondContact O-N 3.05Å; L244-A247 WeakPolarHBondContact O-CB 3.07Å; L244-A247 PolarHBondContact O-N 2.95Å; L244-A247 VanDerWaalsContact O-N 3.15Å; L244-V248 WeakPolarHBondContact O-CG2 3.43Å; L244-V248 PolarHBondContact O-N 3.47Å; L244-I289 HydrophobicContact CD2-CG2 4.37Å; L244-V292 HydrophobicContact CD2-CB 4.42Å; L244-V292 HydrophobicContact CD2-CG1 3.94Å; L244-M296 HydrophobicContact CD1-SD 3.8Å; L244-M296 HydrophobicContact CG-SD 4.36Å |
| 245 | L | 88.2 | Confident | 84 | Confident | 11 Ų | 11 | 52.5 Ų | 52.5 | 6% | 0.058 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.9 | -42.6 | 175 | -58.4 | -175 | 0 | 0 | 0 | 111.6 | Y219 V222 L223 F226 S241 R242 Y243 A247 V248 F249 | Y219-L245 HydrophobicContact CD1-CD2 3.44Å; Y219-L245 VanDerWaalsContact CD1-CD2 3.44Å; Y219-L245 HydrophobicContact CD1-CG 4.47Å; Y219-L245 HydrophobicContact CE1-CD2 3.39Å; Y219-L245 HydrophobicContact CG-CD2 4.28Å; V222-L245 HydrophobicContact CG1-CD1 3.81Å; L223-L245 HydrophobicContact CD2-CD1 3.77Å; L223-L245 HydrophobicContact CG-CD1 4.12Å; F226-L245 HydrophobicContact CD2-CD1 4.34Å; F226-L245 HydrophobicContact CE2-CD1 3.77Å; S241-L245 PolarHBondContact O-N 3.46Å; R242-L245 WeakPolarHBondContact O-CB 3.38Å; R242-L245 PolarHBondContact O-N 3.43Å; Y243-L245 VanDerWaalsContact C-N 3.31Å; L245-A247 VanDerWaalsContact C-N 3.34Å; L245-A247 PolarHBondContact O-N 3.48Å; L245-V248 PolarHBondContact O-N 3.04Å; L245-F249 WeakPolarHBondContact O-CD2 3.35Å; L245-F249 WeakPolarHBondContact O-CG 3.2Å; L245-F249 PolarHBondContact O-N 3.07Å |
| 246 | F | 90.3 | Very high | 85.1 | Confident | 105 Ų | 105 | 52.8 Ų | 52.8 | 46% | 0.461 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -64.2 | -38.2 | 174 | -63.8 | -58 | 0 | 0 | 0 | 112.5 | L223 R242 Y243 L244 F249 A250 | L223-F246 HydrophobicContact CD1-CE1 3.93Å; L223-F246 HydrophobicContact CD1-CZ 4.23Å; L223-F246 HydrophobicContact CD2-CZ 4.46Å; R242-F246 VanDerWaalsContact O-CD2 3.31Å; R242-F246 WeakPolarHBondContact O-CD2 3.16Å; R242-F246 PolarHBondContact O-N 2.88Å; Y243-F246 HydrophobicContact CD1-CD2 4.47Å; Y243-F246 PolarHBondContact O-N 3.18Å; L244-F246 VanDerWaalsContact C-N 3.33Å; L244-F246 PolarHBondContact O-N 3.05Å; F246-F249 HydrophobicContact CD1-CD2 4.13Å; F246-F249 PolarHBondContact O-N 3.36Å; F246-A250 WeakPolarHBondContact O-CB 3.44Å; F246-A250 PolarHBondContact O-N 2.79Å |
| 247 | A | 92.1 | Very high | 86.4 | Confident | 37 Ų | 37 | 52 Ų | 52 | 31% | 0.306 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64 | -41 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y243 L244 L245 F249 A250 S251 I289 | Y243-A247 PolarHBondContact O-N 3.01Å; Y243-A247 VanDerWaalsContact O-N 3.09Å; L244-A247 WeakPolarHBondContact O-CB 3.07Å; L244-A247 PolarHBondContact O-N 2.95Å; L244-A247 VanDerWaalsContact O-N 3.15Å; L245-A247 VanDerWaalsContact C-N 3.34Å; L245-A247 PolarHBondContact O-N 3.48Å; A247-F249 VanDerWaalsContact C-N 3.35Å; A247-A250 PolarHBondContact O-N 3.27Å; A247-S251 PolarHBondContact O-N 3.44Å; A247-I289 HydrophobicContact CB-CD1 3.9Å; A247-I289 HydrophobicContact CB-CG1 4.12Å; A247-I289 HydrophobicContact CB-CG2 4.49Å |
| 248 | V | 91.9 | Very high | 87.7 | Confident | 3 Ų | 3 | 50.7 Ų | 50.7 | 2% | 0.018 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.2 | -43.4 | 173.8 | 177 | 0 | 0 | 0 | 0 | 110.5 | Y219 L244 L245 S251 H252 I289 Y290 | Y219-V248 HydrophobicContact CD2-CG1 4.21Å; Y219-V248 HydrophobicContact CE2-CB 4.3Å; Y219-V248 HydrophobicContact CE2-CG1 3.55Å; L244-V248 WeakPolarHBondContact O-CG2 3.43Å; L244-V248 PolarHBondContact O-N 3.47Å; L245-V248 PolarHBondContact O-N 3.04Å; V248-S251 PolarHBondContact O-N 2.76Å; V248-S251 PolarHBondContact O-OG 3.18Å; V248-H252 PolarHBondContact O-N 3.18Å; V248-H252 PolarHBondContact O-ND1 2.95Å; V248-I289 HydrophobicContact CG2-CG2 3.63Å; V248-Y290 HydrophobicContact CG2-CE1 4.48Å |
| 249 | F | 91.9 | Very high | 88.8 | Confident | 27 Ų | 27 | 49.8 Ų | 49.8 | 12% | 0.118 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59 | -50.3 | 174.7 | -69.7 | -39.3 | 0 | 0 | 0 | 112.6 | M216 Y219 V220 L223 L245 F246 A247 S251 H252 F253 | M216-F249 HydrophobicContact CE-CB 4.25Å; M216-F249 HydrophobicContact CE-CD1 3.8Å; M216-F249 HydrophobicContact CE-CG 4.47Å; M216-F249 HydrophobicContact SD-CB 4.38Å; M216-F249 HydrophobicContact SD-CD1 3.17Å; M216-F249 WeakPolarHBondContact SD-CD1 3.46Å; M216-F249 HydrophobicContact SD-CE1 3.54Å; M216-F249 VanDerWaalsContact SD-CE1 3.54Å; M216-F249 HydrophobicContact SD-CG 4.04Å; Y219-F249 HydrophobicContact CD2-CE1 4.09Å; Y219-F249 HydrophobicContact CG-CE1 4.17Å; Y219-F249 HydrophobicContact CG-CZ 4.36Å; V220-F249 HydrophobicContact CG2-CZ 4.12Å; L223-F249 HydrophobicContact CD1-CE2 3.7Å; L223-F249 HydrophobicContact CD1-CZ 4.35Å; L245-F249 WeakPolarHBondContact O-CD2 3.35Å; L245-F249 WeakPolarHBondContact O-CG 3.2Å; L245-F249 PolarHBondContact O-N 3.07Å; F246-F249 HydrophobicContact CD1-CD2 4.13Å; F246-F249 PolarHBondContact O-N 3.36Å; A247-F249 VanDerWaalsContact C-N 3.35Å; F249-S251 PolarHBondContact O-N 3.46Å; F249-H252 PolarHBondContact O-N 3.08Å; F249-F253 VanDerWaalsContact O-CD2 3.27Å; F249-F253 WeakPolarHBondContact O-CD2 3.43Å |
| 250 | A | 92.9 | Very high | 90 | Very high | 59 Ų | 59 | 50.1 Ų | 50.1 | 49% | 0.488 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -58.2 | -37.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | F246 A247 H252 F253 | F246-A250 WeakPolarHBondContact O-CB 3.44Å; F246-A250 PolarHBondContact O-N 2.79Å; A247-A250 PolarHBondContact O-N 3.27Å; A250-H252 VanDerWaalsContact C-N 3.3Å; A250-H252 PolarHBondContact O-N 3.24Å; A250-F253 WeakPolarHBondContact O-CB 3.45Å; A250-F253 PolarHBondContact O-N 3.31Å |
| 251 | S | 93.2 | Very high | 90.7 | Very high | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.014 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.9 | -38.2 | 179.3 | 78.3 | 0 | 0 | 0 | 0 | 112.8 | A247 V248 F249 F253 L254 Q282 L286 | A247-S251 PolarHBondContact O-N 3.44Å; V248-S251 PolarHBondContact O-N 2.76Å; V248-S251 PolarHBondContact O-OG 3.18Å; F249-S251 PolarHBondContact O-N 3.46Å; S251-F253 PolarHBondContact O-N 3.08Å; S251-L254 WeakPolarHBondContact O-CB 3.31Å; S251-L254 WeakPolarHBondContact O-CG 3.29Å; S251-L254 PolarHBondContact O-N 2.96Å; S251-Q282 VanDerWaalsContact C-OE1 3.25Å; S251-Q282 PolarHBondContact O-NE2 2.81Å; S251-Q282 PolarHBondContact O-OE1 3.43Å; S251-Q282 PolarHBondContact OG-NE2 2.82Å; S251-L286 WeakPolarHBondContact OG-CD2 3.4Å |
| 252 | H | 92 | Very high | 91.2 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.3 | -20 | 179.9 | -70.1 | 72.4 | 0 | 0 | 0 | 112.6 | Y127 T130 T212 T215 M216 V248 F249 A250 W256 | Y127-H252 AromaticContact CD1-CD2 3.72Å; Y127-H252 HydrophobicContact CE1-CB 4.47Å; Y127-H252 AromaticContact CE1-CD2 3.54Å; Y127-H252 PolarHBondContact OH-O 3.49Å; T130-H252 PolarHBondContact OG1-NE2 3.37Å; T212-H252 HydrophobicContact CG2-CB 3.99Å; T215-H252 WeakPolarHBondContact CG2-NE2 3.5Å; M216-H252 HydrophobicContact CE-CB 3.6Å; V248-H252 PolarHBondContact O-N 3.18Å; V248-H252 PolarHBondContact O-ND1 2.95Å; F249-H252 PolarHBondContact O-N 3.08Å; A250-H252 VanDerWaalsContact C-N 3.3Å; A250-H252 PolarHBondContact O-N 3.24Å; H252-W256 VanDerWaalsContact O-CD1 3.27Å |
| 253 | F | 92.9 | Very high | 91.5 | Very high | 118 Ų | 118 | 46.5 Ų | 46.5 | 52% | 0.518 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -7.7 | 176.4 | -65.4 | -77.9 | 0 | 0 | 0 | 114.2 | M216 F249 A250 S251 Q255 W256 P257 | M216-F253 HydrophobicContact CE-CE2 4.01Å; F249-F253 VanDerWaalsContact O-CD2 3.27Å; F249-F253 WeakPolarHBondContact O-CD2 3.43Å; A250-F253 WeakPolarHBondContact O-CB 3.45Å; A250-F253 PolarHBondContact O-N 3.31Å; S251-F253 PolarHBondContact O-N 3.08Å; F253-Q255 VanDerWaalsContact C-N 3.28Å; F253-Q255 PolarHBondContact O-N 3.1Å; F253-W256 AromaticContact CD1-CD1 3.91Å; F253-W256 HydrophobicContact CD1-CG 4.27Å; F253-W256 PolarHBondContact O-N 3.47Å; F253-P257 VanDerWaalsContact O-CD 3.22Å; F253-P257 WeakPolarHBondContact O-CD 3.41Å |
| 254 | L | 93.8 | Very high | 91.5 | Very high | 43 Ų | 43 | 45.8 Ų | 45.8 | 23% | 0.225 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -29.8 | -178.5 | -70 | 178.3 | 0 | 0 | 0 | 113.4 | S251 I278 V285 | S251-L254 WeakPolarHBondContact O-CB 3.31Å; S251-L254 WeakPolarHBondContact O-CG 3.29Å; S251-L254 PolarHBondContact O-N 2.96Å; L254-I278 HydrophobicContact CB-CG2 4.3Å; L254-I278 HydrophobicContact CD2-CG2 3.86Å; L254-I278 WeakPolarHBondContact O-CG2 3.42Å; L254-V285 HydrophobicContact CD1-CB 4.11Å; L254-V285 HydrophobicContact CD1-CG1 4.2Å; L254-V285 HydrophobicContact CD1-CG2 4Å |
| 255 | Q | 93.3 | Very high | 91.3 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -16.9 | 179 | -60.1 | -164.9 | -14.9 | 0 | 0 | 114.1 | Y127 F253 F258 F259 A279 | Y127-Q255 VanDerWaalsContact CE2-OE1 3.26Å; Y127-Q255 PolarHBondContact OH-OE1 3.36Å; F253-Q255 VanDerWaalsContact C-N 3.28Å; F253-Q255 PolarHBondContact O-N 3.1Å; Q255-F258 WeakPolarHBondContact O-CB 3.47Å; Q255-F258 PolarHBondContact O-N 3.49Å; Q255-F259 HydrophobicContact CB-CD2 4.32Å; Q255-F259 HydrophobicContact CB-CE2 3.95Å; Q255-F259 VanDerWaalsContact O-CD2 3.25Å; Q255-F259 WeakPolarHBondContact O-CD2 3.42Å; Q255-F259 PolarHBondContact O-N 2.96Å; Q255-A279 HydrophobicContact CB-CB 4.23Å; Q255-A279 HydrophobicContact CG-CB 3.99Å |
| 256 | W | 92.8 | Very high | 91.3 | Very high | 88 Ų | 88 | 50.1 Ų | 50.1 | 33% | 0.333 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.8 | -40.6 | -175.3 | -79.4 | 79.4 | 0 | 0 | 0 | 114.5 | L209 H252 F253 F258 F259 I260 | L209-W256 HydrophobicContact CD2-CH2 3.48Å; L209-W256 VanDerWaalsContact CD2-CH2 3.48Å; L209-W256 HydrophobicContact CD2-CZ2 3.37Å; H252-W256 VanDerWaalsContact O-CD1 3.27Å; F253-W256 AromaticContact CD1-CD1 3.91Å; F253-W256 HydrophobicContact CD1-CG 4.27Å; F253-W256 PolarHBondContact O-N 3.47Å; W256-F258 PolarHBondContact O-N 2.98Å; W256-F259 PolarHBondContact O-N 3.31Å; W256-F259 VanDerWaalsContact O-N 3.16Å; W256-I260 HydrophobicContact CB-CD1 4.38Å; W256-I260 HydrophobicContact CE3-CD1 4.47Å; W256-I260 WeakPolarHBondContact O-CB 3.19Å; W256-I260 VanDerWaalsContact O-CG1 3.29Å; W256-I260 WeakPolarHBondContact O-CG1 3.46Å; W256-I260 PolarHBondContact O-N 2.85Å |
| 257 | P | 94.7 | Very high | 91.1 | Very high | 49 Ų | 49 | 49.6 Ų | 49.6 | 32% | 0.318 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -54.4 | -39.3 | 175.8 | -28.4 | 35.7 | 0 | 0 | 0 | 112.9 | F253 R261 T275 | F253-P257 VanDerWaalsContact O-CD 3.22Å; F253-P257 WeakPolarHBondContact O-CD 3.41Å; P257-R261 WeakPolarHBondContact O-CB 3.12Å; P257-R261 WeakPolarHBondContact O-CG 3.35Å; P257-R261 PolarHBondContact O-N 2.96Å; P257-T275 HydrophobicContact CB-CG2 3.69Å |
| 258 | F | 94.2 | Very high | 91 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.1 | -51.5 | 176.5 | 161.1 | -104.3 | 0 | 0 | 0 | 111.5 | W123 Y185 L189 W190 Q255 W256 I260 R261 R262 L276 A279 | W123-F258 AromaticContact CH2-CD1 3.95Å; W123-F258 HydrophobicContact CH2-CD1 3.95Å; W123-F258 AromaticContact CH2-CE1 3.88Å; W123-F258 HydrophobicContact CH2-CE1 3.88Å; W123-F258 HydrophobicContact CZ3-CD1 4.12Å; W123-F258 AromaticContact CZ3-CE1 3.91Å; W123-F258 HydrophobicContact CZ3-CE1 3.91Å; Y185-F258 HydrophobicContact CD1-CD2 4.11Å; Y185-F258 AromaticContact CD1-CE2 3.89Å; Y185-F258 HydrophobicContact CD1-CE2 3.89Å; Y185-F258 AromaticContact CE1-CD2 3.74Å; Y185-F258 HydrophobicContact CE1-CD2 3.74Å; Y185-F258 AromaticContact CE1-CE2 3.73Å; Y185-F258 HydrophobicContact CE1-CE2 3.73Å; L189-F258 HydrophobicContact CD1-CE2 3.91Å; L189-F258 HydrophobicContact CD1-CZ 4.23Å; L189-F258 HydrophobicContact CD2-CE2 4.24Å; L189-F258 HydrophobicContact CD2-CZ 3.87Å; W190-F258 HydrophobicContact CH2-CE1 4.49Å; W190-F258 AromaticContact CZ3-CE1 3.85Å; W190-F258 HydrophobicContact CZ3-CE1 3.85Å; W190-F258 AromaticContact CZ3-CZ 3.85Å; W190-F258 HydrophobicContact CZ3-CZ 3.85Å; Q255-F258 WeakPolarHBondContact O-CB 3.47Å; Q255-F258 PolarHBondContact O-N 3.49Å; W256-F258 PolarHBondContact O-N 2.98Å; F258-I260 PolarHBondContact O-N 2.89Å; F258-R261 PolarHBondContact O-N 3.27Å; F258-R262 VanDerWaalsContact O-CB 3.3Å; F258-R262 WeakPolarHBondContact O-CB 3.4Å; F258-R262 PolarHBondContact O-N 2.96Å; F258-L276 HydrophobicContact CD2-CB 4.24Å; F258-L276 HydrophobicContact CD2-CD1 3.9Å; F258-L276 HydrophobicContact CE2-CD1 3.91Å; F258-L276 HydrophobicContact CG-CD1 4.38Å; F258-L276 HydrophobicContact CZ-CD1 4.39Å; F258-A279 HydrophobicContact CB-CB 4.06Å |
| 259 | F | 92.3 | Very high | 90.9 | Very high | 12 Ų | 12 | 51.3 Ų | 51.3 | 5% | 0.053 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.7 | -43.5 | 179.7 | -68.6 | -67.5 | 0 | 0 | 0 | 112.3 | W123 W190 L200 F203 V204 I208 Q255 W256 R261 R262 F263 | W123-F259 HydrophobicContact CE3-CZ 4.11Å; W123-F259 HydrophobicContact CZ3-CE1 4.43Å; W123-F259 HydrophobicContact CZ3-CE2 4.17Å; W123-F259 AromaticContact CZ3-CZ 3.63Å; W123-F259 HydrophobicContact CZ3-CZ 3.63Å; W190-F259 HydrophobicContact CH2-CE1 4.49Å; W190-F259 HydrophobicContact CZ3-CE1 4.3Å; L200-F259 HydrophobicContact CD1-CD1 4.38Å; L200-F259 HydrophobicContact CD1-CE1 3.96Å; F203-F259 HydrophobicContact CE1-CZ 4.25Å; V204-F259 HydrophobicContact CG2-CD1 3.74Å; V204-F259 HydrophobicContact CG2-CE1 3.54Å; V204-F259 HydrophobicContact CG2-CG 4.42Å; V204-F259 HydrophobicContact CG2-CZ 4.09Å; I208-F259 HydrophobicContact CD1-CE1 4.34Å; I208-F259 HydrophobicContact CD1-CE2 3.39Å; I208-F259 HydrophobicContact CD1-CZ 3.24Å; Q255-F259 HydrophobicContact CB-CD2 4.32Å; Q255-F259 HydrophobicContact CB-CE2 3.95Å; Q255-F259 VanDerWaalsContact O-CD2 3.25Å; Q255-F259 WeakPolarHBondContact O-CD2 3.42Å; Q255-F259 PolarHBondContact O-N 2.96Å; W256-F259 PolarHBondContact O-N 3.31Å; W256-F259 VanDerWaalsContact O-N 3.16Å; F259-R261 PolarHBondContact O-N 3.28Å; F259-R262 PolarHBondContact O-N 3.1Å; F259-F263 WeakPolarHBondContact O-CD2 3.46Å; F259-F263 PolarHBondContact O-N 3.36Å; F259-F263 VanDerWaalsContact O-N 3.1Å |
| 260 | I | 92.3 | Very high | 90.9 | Very high | 94 Ų | 94 | 53 Ų | 53 | 48% | 0.482 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -59.6 | -48.3 | 178.8 | -67.7 | 166.4 | 0 | 0 | 0 | 110.4 | W256 F258 R262 F263 V264 | W256-I260 HydrophobicContact CB-CD1 4.38Å; W256-I260 HydrophobicContact CE3-CD1 4.47Å; W256-I260 WeakPolarHBondContact O-CB 3.19Å; W256-I260 VanDerWaalsContact O-CG1 3.29Å; W256-I260 WeakPolarHBondContact O-CG1 3.46Å; W256-I260 PolarHBondContact O-N 2.85Å; F258-I260 PolarHBondContact O-N 2.89Å; I260-R262 VanDerWaalsContact C-N 3.34Å; I260-R262 PolarHBondContact O-N 3.42Å; I260-F263 PolarHBondContact O-N 3.44Å; I260-V264 WeakPolarHBondContact O-CB 3.39Å; I260-V264 PolarHBondContact O-N 2.9Å |
| 261 | R | 92.3 | Very high | 90.9 | Very high | 57 Ų | 57 | 51.4 Ų | 51.4 | 22% | 0.215 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.8 | -40.6 | 177.6 | -74 | -168.3 | 68.6 | 82.9 | 12.1 | 111.9 | P257 F258 F259 F263 G265 P266 D272 T275 | P257-R261 WeakPolarHBondContact O-CB 3.12Å; P257-R261 WeakPolarHBondContact O-CG 3.35Å; P257-R261 PolarHBondContact O-N 2.96Å; F258-R261 PolarHBondContact O-N 3.27Å; F259-R261 PolarHBondContact O-N 3.28Å; R261-F263 PolarHBondContact O-N 3.02Å; R261-G265 WeakPolarHBondContact O-CA 3.44Å; R261-G265 PolarHBondContact O-N 3.46Å; R261-P266 PolarHBondContact NH2-O 3.23Å; R261-P266 VanDerWaalsContact NH2-O 3.08Å; R261-D272 IonicContact CZ-OD1 3.27Å; R261-D272 VanDerWaalsContact CZ-OD1 3.28Å; R261-D272 IonicContact NE-OD1 2.66Å; R261-D272 PolarHBondContact NE-OD1 2.99Å; R261-D272 IonicContact NH2-OD1 2.92Å; R261-D272 PolarHBondContact NH2-OD1 3.35Å; R261-T275 VanDerWaalsContact CD-CG2 3.43Å; R261-T275 HydrophobicContact CG-CG2 4.32Å |
| 262 | R | 89.4 | Confident | 90.9 | Very high | 14 Ų | 14 | 51.4 Ų | 51.4 | 5% | 0.053 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.8 | -33.2 | 178.2 | -176.2 | 57.3 | 179.2 | 174.9 | -1.7 | 113.5 | D182 Y185 W190 H192 L200 F258 F259 I260 | D182-R262 IonicContact OD2-CZ 3.08Å; D182-R262 IonicContact OD2-NH1 3.37Å; D182-R262 PolarHBondContact OD2-NH1 3.2Å; D182-R262 IonicContact OD2-NH2 3.16Å; D182-R262 PolarHBondContact OD2-NH2 3.08Å; Y185-R262 WeakPolarHBondContact OH-CA 3.27Å; Y185-R262 PolarHBondContact OH-N 3.19Å; W190-R262 PolarHBondContact O-NH2 2.92Å; H192-R262 PolarHBondContact CE1-NH1 2.82Å; H192-R262 PolarHBondContact CE1-NH2 2.73Å; H192-R262 PolarHBondContact NE2-NH1 3.29Å; H192-R262 PolarHBondContact NE2-NH2 3.02Å; L200-R262 HydrophobicContact CD2-CG 4.34Å; F258-R262 VanDerWaalsContact O-CB 3.3Å; F258-R262 WeakPolarHBondContact O-CB 3.4Å; F258-R262 PolarHBondContact O-N 2.96Å; F259-R262 PolarHBondContact O-N 3.1Å; I260-R262 VanDerWaalsContact C-N 3.34Å; I260-R262 PolarHBondContact O-N 3.42Å |
| 263 | F | 87.5 | Confident | 90.9 | Very high | 97 Ų | 97 | 51.5 Ų | 51.5 | 43% | 0.425 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -96.1 | -32.1 | -177.6 | -74.5 | -66.9 | 0 | 0 | 0 | 114.7 | Y197 L200 F259 I260 R261 | Y197-F263 HydrophobicContact CD1-CD1 4.26Å; Y197-F263 AromaticContact CD1-CE1 3.8Å; Y197-F263 HydrophobicContact CD1-CE1 3.8Å; Y197-F263 HydrophobicContact CE1-CD1 4.08Å; Y197-F263 HydrophobicContact CE1-CE1 4.07Å; L200-F263 HydrophobicContact CB-CZ 4.43Å; L200-F263 HydrophobicContact CD2-CE1 3.82Å; L200-F263 HydrophobicContact CD2-CE2 3.87Å; L200-F263 HydrophobicContact CD2-CZ 3.3Å; L200-F263 HydrophobicContact CG-CE1 4.44Å; L200-F263 HydrophobicContact CG-CE2 4.24Å; L200-F263 HydrophobicContact CG-CZ 3.61Å; F259-F263 WeakPolarHBondContact O-CD2 3.46Å; F259-F263 PolarHBondContact O-N 3.36Å; F259-F263 VanDerWaalsContact O-N 3.1Å; I260-F263 PolarHBondContact O-N 3.44Å; R261-F263 PolarHBondContact O-N 3.02Å |
| 264 | V | 87.8 | Confident | 91 | Very high | 120 Ų | 120 | 48 Ų | 48 | 73% | 0.727 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -124.6 | -25.2 | -166.5 | -173.2 | 0 | 0 | 0 | 0 | 112.6 | I260 | I260-V264 WeakPolarHBondContact O-CB 3.39Å; I260-V264 PolarHBondContact O-N 2.9Å |
| 265 | G | 82 | Confident | 91.1 | Very high | 30 Ų | 30 | 46.6 Ų | 46.6 | 31% | 0.309 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -79 | 145.3 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | R261 | R261-G265 WeakPolarHBondContact O-CA 3.44Å; R261-G265 PolarHBondContact O-N 3.46Å |
| 266 | P | 87.6 | Confident | 91.2 | Very high | 96 Ų | 96 | 46.6 Ų | 46.6 | 62% | 0.623 | 26% | 0.261 | S | S | * | . | P | Polyproline II helix | trans | -64.4 | 145.9 | 164.3 | 29.8 | -33.6 | 0 | 0 | 0 | 109.6 | R261 D268 | R261-P266 PolarHBondContact NH2-O 3.23Å; R261-P266 VanDerWaalsContact NH2-O 3.08Å; P266-D268 PolarHBondContact O-N 3.41Å |
| 267 | P | 85.4 | Confident | 91.2 | Very high | 94 Ų | 94 | 43.8 Ų | 43.8 | 61% | 0.61 | 25% | 0.252 | S | S | * | . | P | Polyproline II helix | trans | -63.6 | 121.9 | 179.4 | 26.6 | -33.3 | 0 | 0 | 0 | 110 | T184 | T184-P267 HydrophobicContact CG2-CB 4.13Š|
| 268 | D | 90.7 | Very high | 91.2 | Very high | 66 Ų | 66 | 44 Ų | 44 | 35% | 0.353 | 25% | 0.25 | S | S | . | . | trans | -141.6 | 111.8 | 174.2 | 169.8 | 2.2 | 0 | 0 | 0 | 107.5 | P266 L270 A271 D272 | P266-D268 PolarHBondContact O-N 3.41Å; D268-L270 PolarHBondContact O-N 3.32Å; D268-L270 PolarHBondContact OD1-N 3.49Å; D268-L270 VanDerWaalsContact OD1-N 3.1Å; D268-A271 HydrophobicContact CB-CB 4.14Å; D268-A271 PolarHBondContact O-N 3.24Å; D268-A271 WeakPolarHBondContact OD2-CB 3.47Å; D268-D272 PolarHBondContact N-OD2 2.9Å; D268-D272 VanDerWaalsContact N-OD2 3.1Å; D268-D272 WeakPolarHBondContact O-CB 3.32Å; D268-D272 PolarHBondContact O-N 3.34Å | ||
| 269 | P | 89.3 | Confident | 91.3 | Very high | 10 Ų | 10 | 44 Ų | 44 | 7% | 0.065 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -61.3 | -33.7 | -170.4 | 30 | -39.6 | 0 | 0 | 0 | 112.3 | P24 L26 T184 T273 | P24-P269 HydrophobicContact CB-CG 3.78Å; P24-P269 HydrophobicContact CG-CG 4.28Å; P24-P269 WeakPolarHBondContact O-CB 3.42Å; P24-P269 WeakPolarHBondContact O-CG 3.13Å; L26-P269 HydrophobicContact CD2-CB 4.22Å; L26-P269 HydrophobicContact CD2-CG 4.44Å; L26-P269 HydrophobicContact CG-CB 4.17Å; T184-P269 HydrophobicContact CG2-CB 4.38Å; P269-T273 WeakPolarHBondContact O-CB 3.26Å; P269-T273 PolarHBondContact O-N 3.44Å; P269-T273 PolarHBondContact O-OG1 3.24Å |
| 270 | L | 92 | Very high | 91.3 | Very high | 64 Ų | 64 | 43.8 Ų | 43.8 | 34% | 0.335 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -71 | -53.9 | 179.6 | 179.5 | 62.6 | 0 | 0 | 0 | 110.3 | L26 L34 D268 D272 T273 V274 | L26-L270 HydrophobicContact CD2-CB 3.96Å; L26-L270 HydrophobicContact CD2-CD1 4.13Å; L34-L270 HydrophobicContact CD1-CD1 3.89Å; D268-L270 PolarHBondContact O-N 3.32Å; D268-L270 PolarHBondContact OD1-N 3.49Å; D268-L270 VanDerWaalsContact OD1-N 3.1Å; L270-D272 VanDerWaalsContact C-N 3.33Å; L270-D272 PolarHBondContact O-N 3.48Å; L270-T273 PolarHBondContact O-N 3.45Å; L270-V274 HydrophobicContact CD1-CG2 4.25Å; L270-V274 WeakPolarHBondContact O-CB 3.37Å; L270-V274 WeakPolarHBondContact O-CG2 3.37Å; L270-V274 PolarHBondContact O-N 3.42Å |
| 271 | A | 92.9 | Very high | 91.3 | Very high | 24 Ų | 24 | 41.2 Ų | 41.2 | 20% | 0.198 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.7 | -36.8 | -179 | 0 | 0 | 0 | 0 | 0 | 112.4 | D268 V274 T275 | D268-A271 HydrophobicContact CB-CB 4.14Å; D268-A271 PolarHBondContact O-N 3.24Å; D268-A271 WeakPolarHBondContact OD2-CB 3.47Å; A271-V274 PolarHBondContact O-N 2.9Å; A271-T275 WeakPolarHBondContact O-CB 3.3Å; A271-T275 WeakPolarHBondContact O-CG2 3.1Å; A271-T275 PolarHBondContact O-N 3.1Å; A271-T275 PolarHBondContact O-OG1 3.2Å |
| 272 | D | 93.4 | Very high | 91.3 | Very high | 3 Ų | 3 | 38.5 Ų | 38.5 | 2% | 0.016 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -68.7 | -43.8 | 179.2 | -67.6 | -11.6 | 0 | 0 | 0 | 111 | T184 Y185 R261 D268 L270 T275 L276 | T184-D272 HydrophobicContact CG2-CB 4.16Å; T184-D272 WeakPolarHBondContact CG2-OD2 3.44Å; Y185-D272 HydrophobicContact CD1-CB 3.83Å; Y185-D272 WeakPolarHBondContact CD1-O 3.48Å; Y185-D272 HydrophobicContact CD2-CB 4.2Å; Y185-D272 HydrophobicContact CE1-CB 3.6Å; Y185-D272 HydrophobicContact CE2-CB 3.95Å; Y185-D272 HydrophobicContact CG-CB 4.13Å; R261-D272 IonicContact CZ-OD1 3.27Å; R261-D272 VanDerWaalsContact CZ-OD1 3.28Å; R261-D272 IonicContact NE-OD1 2.66Å; R261-D272 PolarHBondContact NE-OD1 2.99Å; R261-D272 IonicContact NH2-OD1 2.92Å; R261-D272 PolarHBondContact NH2-OD1 3.35Å; D268-D272 PolarHBondContact N-OD2 2.9Å; D268-D272 VanDerWaalsContact N-OD2 3.1Å; D268-D272 WeakPolarHBondContact O-CB 3.32Å; D268-D272 PolarHBondContact O-N 3.34Å; L270-D272 VanDerWaalsContact C-N 3.33Å; L270-D272 PolarHBondContact O-N 3.48Å; D272-T275 PolarHBondContact O-N 3.39Å; D272-T275 PolarHBondContact O-OG1 2.95Å; D272-T275 VanDerWaalsContact O-OG1 3.05Å; D272-L276 WeakPolarHBondContact O-CB 2.92Å; D272-L276 PolarHBondContact O-N 2.85Å |
| 273 | T | 93.2 | Very high | 91.4 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64 | -43.5 | 173.4 | -58.4 | 0 | 0 | 0 | 0 | 111.9 | L34 F89 V93 H186 P269 L270 L276 M277 | L34-T273 HydrophobicContact CD1-CG2 4Å; F89-T273 HydrophobicContact CE2-CG2 4.35Å; F89-T273 HydrophobicContact CZ-CG2 4.05Å; V93-T273 HydrophobicContact CG1-CG2 4.34Å; V93-T273 HydrophobicContact CG2-CG2 3.76Å; H186-T273 PolarHBondContact CD2-OG1 2.9Å; P269-T273 WeakPolarHBondContact O-CB 3.26Å; P269-T273 PolarHBondContact O-N 3.44Å; P269-T273 PolarHBondContact O-OG1 3.24Å; L270-T273 PolarHBondContact O-N 3.45Å; T273-L276 PolarHBondContact O-N 3.36Å; T273-M277 WeakPolarHBondContact O-CB 3.45Å; T273-M277 PolarHBondContact O-N 3.14Å |
| 274 | V | 94.9 | Very high | 91.6 | Very high | 44 Ų | 44 | 33.8 Ų | 33.8 | 27% | 0.267 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -64.7 | -43.6 | 179 | 168.2 | 0 | 0 | 0 | 0 | 111.4 | L34 L270 A271 L276 M277 I278 | L34-V274 HydrophobicContact CD2-CG2 3.73Å; L270-V274 HydrophobicContact CD1-CG2 4.25Å; L270-V274 WeakPolarHBondContact O-CB 3.37Å; L270-V274 WeakPolarHBondContact O-CG2 3.37Å; L270-V274 PolarHBondContact O-N 3.42Å; A271-V274 PolarHBondContact O-N 2.9Å; V274-L276 PolarHBondContact O-N 2.83Å; V274-M277 WeakPolarHBondContact O-CB 3.26Å; V274-M277 PolarHBondContact O-N 3.36Å; V274-I278 HydrophobicContact CG1-CD1 3.95Å; V274-I278 HydrophobicContact CG1-CG1 4.49Å; V274-I278 VanDerWaalsContact O-CG1 3.29Å; V274-I278 WeakPolarHBondContact O-CG1 3.25Å; V274-I278 PolarHBondContact O-N 3.49Å |
| 275 | T | 95.3 | Very high | 91.9 | Very high | 14 Ų | 14 | 30.2 Ų | 30.2 | 9% | 0.086 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.7 | -37.2 | 178.6 | 52 | 0 | 0 | 0 | 0 | 112.6 | P257 R261 A271 D272 I278 A279 | P257-T275 HydrophobicContact CB-CG2 3.69Å; R261-T275 VanDerWaalsContact CD-CG2 3.43Å; R261-T275 HydrophobicContact CG-CG2 4.32Å; A271-T275 WeakPolarHBondContact O-CB 3.3Å; A271-T275 WeakPolarHBondContact O-CG2 3.1Å; A271-T275 PolarHBondContact O-N 3.1Å; A271-T275 PolarHBondContact O-OG1 3.2Å; D272-T275 PolarHBondContact O-N 3.39Å; D272-T275 PolarHBondContact O-OG1 2.95Å; D272-T275 VanDerWaalsContact O-OG1 3.05Å; T275-I278 PolarHBondContact O-N 3.13Å; T275-A279 PolarHBondContact O-N 2.9Å |
| 276 | L | 95 | Very high | 92.4 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.4 | -41.5 | 171.6 | -175.6 | 59.3 | 0 | 0 | 0 | 111.7 | F89 W123 Y185 H187 F258 D272 T273 V274 I278 A279 Y280 | F89-L276 HydrophobicContact CE1-CD2 4.44Å; F89-L276 HydrophobicContact CE1-CG 4.21Å; F89-L276 HydrophobicContact CE2-CD2 3.9Å; F89-L276 HydrophobicContact CZ-CB 4.18Å; F89-L276 HydrophobicContact CZ-CD2 3.85Å; F89-L276 HydrophobicContact CZ-CG 3.96Å; W123-L276 HydrophobicContact CH2-CD1 4.32Å; W123-L276 HydrophobicContact CZ2-CD1 4.46Å; Y185-L276 HydrophobicContact CD1-CB 4.3Å; Y185-L276 HydrophobicContact CD1-CD2 4.43Å; H187-L276 HydrophobicContact CB-CD2 3.53Å; F258-L276 HydrophobicContact CD2-CB 4.24Å; F258-L276 HydrophobicContact CD2-CD1 3.9Å; F258-L276 HydrophobicContact CE2-CD1 3.91Å; F258-L276 HydrophobicContact CG-CD1 4.38Å; F258-L276 HydrophobicContact CZ-CD1 4.39Å; D272-L276 WeakPolarHBondContact O-CB 2.92Å; D272-L276 PolarHBondContact O-N 2.85Å; T273-L276 PolarHBondContact O-N 3.36Å; V274-L276 PolarHBondContact O-N 2.83Å; L276-I278 VanDerWaalsContact C-N 3.32Å; L276-I278 PolarHBondContact O-N 3.48Å; L276-A279 WeakPolarHBondContact O-CB 3.43Å; L276-A279 PolarHBondContact O-N 3.35Å; L276-A279 VanDerWaalsContact O-N 3.14Å; L276-Y280 HydrophobicContact CD1-CD2 4.17Å; L276-Y280 HydrophobicContact CD1-CE2 3.89Å; L276-Y280 HydrophobicContact CG-CD2 4.23Å; L276-Y280 HydrophobicContact CG-CE2 4.12Å; L276-Y280 WeakPolarHBondContact O-CD2 3.45Å; L276-Y280 PolarHBondContact O-N 3.21Å; L276-Y280 VanDerWaalsContact O-N 3.13Å |
| 277 | M | 93.7 | Very high | 92.6 | Very high | 30 Ų | 30 | 24.4 Ų | 24.4 | 15% | 0.148 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -56 | -45.8 | 173 | 172.4 | 176.2 | 88.3 | 0 | 0 | 111.9 | L37 L38 F89 T273 V274 A279 Y280 Q281 | L37-M277 HydrophobicContact CB-SD 4.36Å; L38-M277 HydrophobicContact CD2-CB 3.88Å; L38-M277 HydrophobicContact CD2-CG 3.47Å; L38-M277 VanDerWaalsContact CD2-CG 3.47Å; L38-M277 HydrophobicContact CD2-SD 3.95Å; L38-M277 HydrophobicContact CG-CB 4.47Å; L38-M277 HydrophobicContact CG-CG 4.02Å; L38-M277 HydrophobicContact CG-SD 3.81Å; F89-M277 HydrophobicContact CE1-CB 4.28Å; T273-M277 WeakPolarHBondContact O-CB 3.45Å; T273-M277 PolarHBondContact O-N 3.14Å; V274-M277 WeakPolarHBondContact O-CB 3.26Å; V274-M277 PolarHBondContact O-N 3.36Å; M277-A279 VanDerWaalsContact C-N 3.32Å; M277-A279 PolarHBondContact O-N 2.93Å; M277-Y280 PolarHBondContact O-N 2.97Å; M277-Q281 WeakPolarHBondContact O-CG 3.27Å; M277-Q281 PolarHBondContact O-N 3.08Å |
| 278 | I | 95.2 | Very high | 93 | Very high | 54 Ų | 54 | 23.3 Ų | 23.3 | 28% | 0.277 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -62.6 | -40.5 | 177.3 | -65.3 | 166 | 0 | 0 | 0 | 110.5 | L254 V274 T275 L276 Y280 Q281 | L254-I278 HydrophobicContact CB-CG2 4.3Å; L254-I278 HydrophobicContact CD2-CG2 3.86Å; L254-I278 WeakPolarHBondContact O-CG2 3.42Å; V274-I278 HydrophobicContact CG1-CD1 3.95Å; V274-I278 HydrophobicContact CG1-CG1 4.49Å; V274-I278 VanDerWaalsContact O-CG1 3.29Å; V274-I278 WeakPolarHBondContact O-CG1 3.25Å; V274-I278 PolarHBondContact O-N 3.49Å; T275-I278 PolarHBondContact O-N 3.13Å; L276-I278 VanDerWaalsContact C-N 3.32Å; L276-I278 PolarHBondContact O-N 3.48Å; I278-Y280 VanDerWaalsContact C-N 3.27Å; I278-Y280 PolarHBondContact O-N 3.27Å; I278-Q281 WeakPolarHBondContact O-CB 3.37Å; I278-Q281 PolarHBondContact O-N 2.82Å |
| 279 | A | 94.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60.1 | -35.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | W123 Q255 F258 T275 L276 M277 Q281 | W123-A279 HydrophobicContact CH2-CB 4.1Å; W123-A279 HydrophobicContact CZ2-CB 4.14Å; Q255-A279 HydrophobicContact CB-CB 4.23Å; Q255-A279 HydrophobicContact CG-CB 3.99Å; F258-A279 HydrophobicContact CB-CB 4.06Å; T275-A279 PolarHBondContact O-N 2.9Å; L276-A279 WeakPolarHBondContact O-CB 3.43Å; L276-A279 PolarHBondContact O-N 3.35Å; L276-A279 VanDerWaalsContact O-N 3.14Å; M277-A279 VanDerWaalsContact C-N 3.32Å; M277-A279 PolarHBondContact O-N 2.93Å; A279-Q281 VanDerWaalsContact C-N 3.34Å |
| 280 | Y | 92.3 | Very high | 93.1 | Very high | 6 Ų | 6 | 20.6 Ų | 20.6 | 2% | 0.024 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -70.7 | -25.6 | 174.8 | -89.1 | -82.2 | 0 | 0 | 0 | 113.9 | L85 F89 T119 W123 H187 L276 M277 I278 Q282 N283 | L85-Y280 HydrophobicContact CB-CE1 3.7Å; L85-Y280 HydrophobicContact CD1-CE1 3.88Å; L85-Y280 HydrophobicContact CG-CE1 4.45Å; F89-Y280 HydrophobicContact CD1-CD2 4.21Å; F89-Y280 HydrophobicContact CD1-CE2 4.4Å; F89-Y280 HydrophobicContact CE1-CD2 4.36Å; T119-Y280 WeakPolarHBondContact CG2-OH 2.87Å; T119-Y280 PolarHBondContact OG1-OH 3.25Å; W123-Y280 HydrophobicContact CZ2-CE2 4.32Å; H187-Y280 PolarHBondContact CE1-OH 3.2Å; H187-Y280 AromaticContact NE2-CE2 3.78Å; H187-Y280 AromaticContact NE2-CZ 3.7Å; H187-Y280 PolarHBondContact NE2-OH 3.24Å; L276-Y280 HydrophobicContact CD1-CD2 4.17Å; L276-Y280 HydrophobicContact CD1-CE2 3.89Å; L276-Y280 HydrophobicContact CG-CD2 4.23Å; L276-Y280 HydrophobicContact CG-CE2 4.12Å; L276-Y280 WeakPolarHBondContact O-CD2 3.45Å; L276-Y280 PolarHBondContact O-N 3.21Å; L276-Y280 VanDerWaalsContact O-N 3.13Å; M277-Y280 PolarHBondContact O-N 2.97Å; I278-Y280 VanDerWaalsContact C-N 3.27Å; I278-Y280 PolarHBondContact O-N 3.27Å; Y280-Q282 PolarHBondContact O-N 3.33Å; Y280-Q282 VanDerWaalsContact O-N 3.08Å; Y280-N283 PolarHBondContact O-N 2.03Å |
| 281 | Q | 93.1 | Very high | 93 | Very high | 40 Ų | 40 | 18.5 Ų | 18.5 | 19% | 0.187 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -16.1 | 179.8 | -63.8 | -51.6 | -46.6 | 0 | 0 | 113.2 | S41 M277 I278 A279 N283 T284 V285 | S41-Q281 VanDerWaalsContact CB-NE2 3.31Å; S41-Q281 PolarHBondContact OG-NE2 2.98Å; M277-Q281 WeakPolarHBondContact O-CG 3.27Å; M277-Q281 PolarHBondContact O-N 3.08Å; I278-Q281 WeakPolarHBondContact O-CB 3.37Å; I278-Q281 PolarHBondContact O-N 2.82Å; A279-Q281 VanDerWaalsContact C-N 3.34Å; Q281-N283 PolarHBondContact O-N 3.16Å; Q281-T284 PolarHBondContact O-N 3.11Å; Q281-V285 HydrophobicContact CB-CG2 4.29Å; Q281-V285 WeakPolarHBondContact O-CB 3.28Å; Q281-V285 WeakPolarHBondContact O-CG2 3.14Å; Q281-V285 PolarHBondContact O-N 3.34Å |
| 282 | Q | 92.8 | Very high | 92.8 | Very high | 1 Ų | 1 | 20.4 Ų | 20.4 | 1% | 0.005 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -52.2 | -40.6 | 176.9 | -173.9 | 63.4 | -4.6 | 0 | 0 | 112.6 | T126 S251 Y280 T284 L286 | T126-Q282 HydrophobicContact CG2-CG 4.3Å; S251-Q282 VanDerWaalsContact C-OE1 3.25Å; S251-Q282 PolarHBondContact O-NE2 2.81Å; S251-Q282 PolarHBondContact O-OE1 3.43Å; S251-Q282 PolarHBondContact OG-NE2 2.82Å; Y280-Q282 PolarHBondContact O-N 3.33Å; Y280-Q282 VanDerWaalsContact O-N 3.08Å; Q282-T284 VanDerWaalsContact C-N 3.34Å; Q282-T284 PolarHBondContact O-N 3.06Å; Q282-L286 HydrophobicContact CG-CD1 3.87Å; Q282-L286 HydrophobicContact CG-CG 4.31Å; Q282-L286 VanDerWaalsContact O-CB 3.29Å; Q282-L286 WeakPolarHBondContact O-CB 3.39Å; Q282-L286 VanDerWaalsContact O-CG 3.25Å; Q282-L286 WeakPolarHBondContact O-CG 3.28Å; Q282-L286 PolarHBondContact O-N 3.29Å |
| 283 | N | 90.7 | Very high | 92.5 | Very high | 3 Ų | 3 | 20.9 Ų | 20.9 | 2% | 0.016 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -70.7 | -28.1 | -179.5 | -63.9 | -59.6 | 0 | 0 | 0 | 113.5 | N49 A81 T126 Y280 Q281 S287 | N49-N283 PolarHBondContact ND2-O 3.02Å; N49-N283 VanDerWaalsContact ND2-O 3.14Å; A81-N283 HydrophobicContact CB-CB 4.28Å; T126-N283 PolarHBondContact OG1-OD1 3.47Å; Y280-N283 PolarHBondContact O-N 2.03Å; Q281-N283 PolarHBondContact O-N 3.16Å; N283-S287 PolarHBondContact O-OG 2.94Å |
| 284 | T | 91.2 | Very high | 92.1 | Very high | 8 Ų | 8 | 21.4 Ų | 21.4 | 5% | 0.049 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -81.8 | -50.1 | 175.7 | -60.1 | 0 | 0 | 0 | 0 | 110 | I44 G45 Q281 Q282 L286 S287 I288 | I44-T284 HydrophobicContact CG2-CG2 4.19Å; G45-T284 VanDerWaalsContact CA-OG1 3.25Å; G45-T284 WeakPolarHBondContact CA-OG1 2.97Å; Q281-T284 PolarHBondContact O-N 3.11Å; Q282-T284 VanDerWaalsContact C-N 3.34Å; Q282-T284 PolarHBondContact O-N 3.06Å; T284-L286 PolarHBondContact O-N 2.94Å; T284-S287 PolarHBondContact O-N 3.44Å; T284-I288 HydrophobicContact CG2-CD1 3.94Å; T284-I288 WeakPolarHBondContact O-CG1 3.49Å; T284-I288 PolarHBondContact O-N 3.25Å |
| 285 | V | 94.1 | Very high | 91.6 | Very high | 45 Ų | 45 | 24.8 Ų | 24.8 | 27% | 0.273 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -62.5 | -45.3 | -175.7 | 171.1 | 0 | 0 | 0 | 0 | 111.5 | L254 Q281 S287 I288 I289 | L254-V285 HydrophobicContact CD1-CB 4.11Å; L254-V285 HydrophobicContact CD1-CG1 4.2Å; L254-V285 HydrophobicContact CD1-CG2 4Å; Q281-V285 HydrophobicContact CB-CG2 4.29Å; Q281-V285 WeakPolarHBondContact O-CB 3.28Å; Q281-V285 WeakPolarHBondContact O-CG2 3.14Å; Q281-V285 PolarHBondContact O-N 3.34Å; V285-S287 VanDerWaalsContact C-N 3.32Å; V285-S287 PolarHBondContact O-N 3.3Å; V285-I288 PolarHBondContact O-N 2.84Å; V285-I289 HydrophobicContact CG1-CD1 3.6Å; V285-I289 HydrophobicContact CG1-CG1 4.29Å; V285-I289 VanDerWaalsContact O-CG1 3.26Å; V285-I289 WeakPolarHBondContact O-CG1 3.41Å; V285-I289 PolarHBondContact O-N 3.18Å |
| 286 | L | 93.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60.2 | -42.5 | 177.8 | -75.8 | 174.9 | 0 | 0 | 0 | 112 | L74 T126 T130 S251 Q282 T284 I289 Y290 | L74-L286 HydrophobicContact CD1-CD1 4.44Å; L74-L286 HydrophobicContact CD2-CB 4.26Å; L74-L286 HydrophobicContact CD2-CD1 4.44Å; T126-L286 HydrophobicContact CG2-CD1 3.53Å; T130-L286 HydrophobicContact CG2-CD1 3.57Å; T130-L286 HydrophobicContact CG2-CD2 3.89Å; T130-L286 HydrophobicContact CG2-CG 4.38Å; S251-L286 WeakPolarHBondContact OG-CD2 3.4Å; Q282-L286 HydrophobicContact CG-CD1 3.87Å; Q282-L286 HydrophobicContact CG-CG 4.31Å; Q282-L286 VanDerWaalsContact O-CB 3.29Å; Q282-L286 WeakPolarHBondContact O-CB 3.39Å; Q282-L286 VanDerWaalsContact O-CG 3.25Å; Q282-L286 WeakPolarHBondContact O-CG 3.28Å; Q282-L286 PolarHBondContact O-N 3.29Å; T284-L286 PolarHBondContact O-N 2.94Å; L286-I289 PolarHBondContact O-N 3.26Å; L286-Y290 HydrophobicContact CB-CD2 4.4Å; L286-Y290 HydrophobicContact CB-CE2 4.43Å; L286-Y290 HydrophobicContact CD2-CE2 4.09Å; L286-Y290 WeakPolarHBondContact O-CB 3.43Å; L286-Y290 WeakPolarHBondContact O-CD2 3.31Å; L286-Y290 PolarHBondContact O-N 3.27Å |
| 287 | S | 91.5 | Very high | 89.8 | Confident | 4 Ų | 4 | 28.4 Ų | 28.4 | 3% | 0.028 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -69.8 | -32.8 | 179.4 | -67.8 | 0 | 0 | 0 | 0 | 112.6 | N49 N283 T284 V285 G291 | N49-S287 WeakPolarHBondContact OD1-CB 3.28Å; N49-S287 PolarHBondContact OD1-OG 3.1Å; N283-S287 PolarHBondContact O-OG 2.94Å; T284-S287 PolarHBondContact O-N 3.44Å; V285-S287 VanDerWaalsContact C-N 3.32Å; V285-S287 PolarHBondContact O-N 3.3Å; S287-G291 WeakPolarHBondContact O-CA 3.24Å; S287-G291 PolarHBondContact O-N 3.23Å |
| 288 | I | 92.8 | Very high | 88.8 | Confident | 72 Ų | 72 | 31 Ų | 31 | 37% | 0.369 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -62.7 | -51.7 | 169 | -66.5 | 170 | 0 | 0 | 0 | 109.9 | V48 T284 V285 Y290 G291 V292 | V48-I288 HydrophobicContact CB-CG1 4.37Å; V48-I288 HydrophobicContact CG1-CG1 3.76Å; V48-I288 HydrophobicContact CG2-CG1 4.04Å; T284-I288 HydrophobicContact CG2-CD1 3.94Å; T284-I288 WeakPolarHBondContact O-CG1 3.49Å; T284-I288 PolarHBondContact O-N 3.25Å; V285-I288 PolarHBondContact O-N 2.84Å; I288-Y290 PolarHBondContact O-N 3.42Å; I288-G291 PolarHBondContact O-N 2.88Å; I288-V292 HydrophobicContact CG2-CG2 4.4Å; I288-V292 WeakPolarHBondContact O-CG2 3.37Å; I288-V292 PolarHBondContact O-N 2.87Å |
| 289 | I | 93.1 | Very high | 87.1 | Confident | 16 Ų | 16 | 33.2 Ų | 33.2 | 8% | 0.082 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.3 | -48.5 | -177.5 | -66.9 | 164.3 | 0 | 0 | 0 | 110.6 | L244 A247 V248 V285 L286 V292 S293 | L244-I289 HydrophobicContact CD2-CG2 4.37Å; A247-I289 HydrophobicContact CB-CD1 3.9Å; A247-I289 HydrophobicContact CB-CG1 4.12Å; A247-I289 HydrophobicContact CB-CG2 4.49Å; V248-I289 HydrophobicContact CG2-CG2 3.63Å; V285-I289 HydrophobicContact CG1-CD1 3.6Å; V285-I289 HydrophobicContact CG1-CG1 4.29Å; V285-I289 VanDerWaalsContact O-CG1 3.26Å; V285-I289 WeakPolarHBondContact O-CG1 3.41Å; V285-I289 PolarHBondContact O-N 3.18Å; L286-I289 PolarHBondContact O-N 3.26Å; I289-V292 PolarHBondContact O-N 3.49Å; I289-S293 PolarHBondContact O-N 3.38Å |
| 290 | Y | 90.4 | Very high | 85.6 | Confident | 3 Ų | 3 | 34.9 Ų | 34.9 | 1% | 0.012 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -70.2 | -35.1 | 178.7 | -70.6 | -57 | 0 | 0 | 0 | 112.3 | I71 L74 T130 I133 Y219 V248 L286 I288 S293 L294 | I71-Y290 HydrophobicContact CD1-CD1 4.21Å; I71-Y290 HydrophobicContact CD1-CG 4.46Å; I71-Y290 HydrophobicContact CG1-CD1 4.31Å; I71-Y290 HydrophobicContact CG1-CG 4.25Å; I71-Y290 HydrophobicContact CG2-CG 4.48Å; L74-Y290 HydrophobicContact CD2-CD2 3.63Å; L74-Y290 HydrophobicContact CD2-CE2 3.59Å; T130-Y290 HydrophobicContact CG2-CE2 4.39Å; I133-Y290 HydrophobicContact CD1-CD2 4.31Å; I133-Y290 HydrophobicContact CD1-CE1 4.3Å; I133-Y290 HydrophobicContact CD1-CE2 3.77Å; I133-Y290 HydrophobicContact CG2-CD1 4.38Å; I133-Y290 HydrophobicContact CG2-CE1 3.55Å; Y219-Y290 PolarHBondContact OH-OH 3.2Å; V248-Y290 HydrophobicContact CG2-CE1 4.48Å; L286-Y290 HydrophobicContact CB-CD2 4.4Å; L286-Y290 HydrophobicContact CB-CE2 4.43Å; L286-Y290 HydrophobicContact CD2-CE2 4.09Å; L286-Y290 WeakPolarHBondContact O-CB 3.43Å; L286-Y290 WeakPolarHBondContact O-CD2 3.31Å; L286-Y290 PolarHBondContact O-N 3.27Å; I288-Y290 PolarHBondContact O-N 3.42Å; Y290-S293 WeakPolarHBondContact CA-OG 3.42Å; Y290-S293 WeakPolarHBondContact O-CB 3.43Å; Y290-S293 PolarHBondContact O-N 3.11Å; Y290-S293 PolarHBondContact O-OG 2.77Å; Y290-L294 WeakPolarHBondContact O-CG 3.41Å; Y290-L294 PolarHBondContact O-N 2.91Å |
| 291 | G | 88.9 | Confident | 84.3 | Confident | 20 Ų | 20 | 38.5 Ų | 38.5 | 21% | 0.206 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.2 | -45.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | S287 I288 S293 L294 F295 | S287-G291 WeakPolarHBondContact O-CA 3.24Å; S287-G291 PolarHBondContact O-N 3.23Å; I288-G291 PolarHBondContact O-N 2.88Å; G291-S293 VanDerWaalsContact C-N 3.32Å; G291-S293 PolarHBondContact O-N 3.15Å; G291-L294 PolarHBondContact O-N 2.66Å; G291-F295 PolarHBondContact O-N 2.8Å; G291-F295 VanDerWaalsContact O-N 3.15Å |
| 292 | V | 90.2 | Very high | 82.5 | Confident | 63 Ų | 63 | 41.3 Ų | 41.3 | 38% | 0.382 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -62.4 | -41.1 | 173.2 | 173.1 | 0 | 0 | 0 | 0 | 110.5 | L244 I288 I289 L294 F295 M296 | L244-V292 HydrophobicContact CD2-CB 4.42Å; L244-V292 HydrophobicContact CD2-CG1 3.94Å; I288-V292 HydrophobicContact CG2-CG2 4.4Å; I288-V292 WeakPolarHBondContact O-CG2 3.37Å; I288-V292 PolarHBondContact O-N 2.87Å; I289-V292 PolarHBondContact O-N 3.49Å; V292-L294 VanDerWaalsContact C-N 3.31Å; V292-L294 PolarHBondContact O-N 3.36Å; V292-F295 PolarHBondContact O-N 2.91Å; V292-M296 HydrophobicContact CG1-CG 4.21Å; V292-M296 HydrophobicContact CG1-SD 3.85Å; V292-M296 WeakPolarHBondContact O-CG 3.38Å; V292-M296 PolarHBondContact O-N 3.42Å |
| 293 | S | 86.9 | Confident | 80.8 | Confident | 13 Ų | 13 | 43 Ų | 43 | 9% | 0.091 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.6 | -40.4 | 178 | 82.5 | 0 | 0 | 0 | 0 | 112.8 | I289 Y290 G291 M297 | I289-S293 PolarHBondContact O-N 3.38Å; Y290-S293 WeakPolarHBondContact CA-OG 3.42Å; Y290-S293 WeakPolarHBondContact O-CB 3.43Å; Y290-S293 PolarHBondContact O-N 3.11Å; Y290-S293 PolarHBondContact O-OG 2.77Å; G291-S293 VanDerWaalsContact C-N 3.32Å; G291-S293 PolarHBondContact O-N 3.15Å; S293-M297 WeakPolarHBondContact O-CB 3.27Å; S293-M297 VanDerWaalsContact O-CG 3.32Å; S293-M297 WeakPolarHBondContact O-CG 3.31Å; S293-M297 PolarHBondContact O-N 2.91Å |
| 294 | L | 84.7 | Confident | 79.2 | Confident | 12 Ų | 12 | 45.9 Ų | 45.9 | 6% | 0.063 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -68.2 | -37.3 | 177.2 | -67.2 | 172.2 | 0 | 0 | 0 | 112.5 | V52 Y55 I56 N68 I71 Y290 G291 V292 K298 | V52-L294 HydrophobicContact CG1-CD1 4.2Å; Y55-L294 HydrophobicContact CE1-CB 4.5Å; I56-L294 HydrophobicContact CD1-CD1 3.83Å; I56-L294 HydrophobicContact CG1-CD1 3.8Å; N68-L294 WeakPolarHBondContact OD1-CD2 3.15Å; I71-L294 HydrophobicContact CD1-CD2 4.34Å; I71-L294 HydrophobicContact CG2-CD1 4.35Å; Y290-L294 WeakPolarHBondContact O-CG 3.41Å; Y290-L294 PolarHBondContact O-N 2.91Å; G291-L294 PolarHBondContact O-N 2.66Å; V292-L294 VanDerWaalsContact C-N 3.31Å; V292-L294 PolarHBondContact O-N 3.36Å; L294-K298 PolarHBondContact O-N 3.38Å |
| 295 | F | 83.1 | Confident | 77.7 | Confident | 116 Ų | 116 | 48.6 Ų | 48.6 | 51% | 0.509 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -67.7 | -46 | 177.3 | -174.6 | -99 | 0 | 0 | 0 | 111 | G291 V292 K298 E299 | G291-F295 PolarHBondContact O-N 2.8Å; G291-F295 VanDerWaalsContact O-N 3.15Å; V292-F295 PolarHBondContact O-N 2.91Å; F295-K298 PolarHBondContact O-N 2.84Å; F295-E299 HydrophobicContact CD1-CG 4.42Å; F295-E299 VanDerWaalsContact CE1-CD 3.47Å; F295-E299 HydrophobicContact CE1-CG 4.07Å; F295-E299 WeakPolarHBondContact CE1-OE1 3.31Å; F295-E299 HydrophobicContact CZ-CG 4.39Å; F295-E299 WeakPolarHBondContact CZ-OE1 3.23Å; F295-E299 PolarHBondContact O-N 3.23Å; F295-E299 VanDerWaalsContact O-N 3.1Å |
| 296 | M | 80.6 | Confident | 76 | Confident | 39 Ų | 39 | 50.3 Ų | 50.3 | 19% | 0.192 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63 | -44.6 | 177.7 | -70.8 | -178.5 | 66.8 | 0 | 0 | 112.4 | K240 L244 V292 K298 E299 D300 | K240-M296 HydrophobicContact CB-CE 3.42Å; K240-M296 VanDerWaalsContact CB-CE 3.42Å; K240-M296 HydrophobicContact CD-CE 4.32Å; L244-M296 HydrophobicContact CD1-SD 3.8Å; L244-M296 HydrophobicContact CG-SD 4.36Å; V292-M296 HydrophobicContact CG1-CG 4.21Å; V292-M296 HydrophobicContact CG1-SD 3.85Å; V292-M296 WeakPolarHBondContact O-CG 3.38Å; V292-M296 PolarHBondContact O-N 3.42Å; M296-K298 PolarHBondContact O-N 3.12Å; M296-E299 PolarHBondContact O-N 2.75Å; M296-E299 VanDerWaalsContact O-N 3.14Å; M296-D300 PolarHBondContact O-N 3.29Å |
| 297 | M | 72.8 | Confident | 74.3 | Confident | 52 Ų | 52 | 57.7 Ų | 57.7 | 26% | 0.256 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -57.3 | -39.5 | 175.9 | -78.7 | 179.3 | 161.7 | 0 | 0 | 112.2 | S293 D300 D301 | S293-M297 WeakPolarHBondContact O-CB 3.27Å; S293-M297 VanDerWaalsContact O-CG 3.32Å; S293-M297 WeakPolarHBondContact O-CG 3.31Å; S293-M297 PolarHBondContact O-N 2.91Å; M297-D300 PolarHBondContact O-N 2.9Å; M297-D301 PolarHBondContact O-N 3.38Å |
| 298 | K | 71.5 | Confident | 72.7 | Confident | 85 Ų | 85 | 60.4 Ų | 60.4 | 37% | 0.37 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -67.8 | -39.9 | 177.2 | 178 | 178.6 | 170.8 | -167.4 | 0 | 112.7 | Y55 L294 F295 M296 D300 D301 L302 | Y55-K298 VanDerWaalsContact OH-CD 3.25Å; Y55-K298 WeakPolarHBondContact OH-CD 3.11Å; L294-K298 PolarHBondContact O-N 3.38Å; F295-K298 PolarHBondContact O-N 2.84Å; M296-K298 PolarHBondContact O-N 3.12Å; K298-D300 VanDerWaalsContact C-N 3.27Å; K298-D301 PolarHBondContact O-N 3.03Å; K298-L302 HydrophobicContact CG-CD1 4.14Å; K298-L302 WeakPolarHBondContact O-CB 3.43Å; K298-L302 VanDerWaalsContact O-CG 3.28Å; K298-L302 WeakPolarHBondContact O-CG 3.29Å; K298-L302 PolarHBondContact O-N 3.28Å |
| 299 | E | 61 | Low | 70.8 | Confident | 100 Ų | 100 | 63.2 Ų | 63.2 | 47% | 0.467 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.3 | -40.7 | 175 | -70.3 | -171.6 | 152.4 | 0 | 0 | 111.1 | F295 M296 L302 A303 | F295-E299 HydrophobicContact CD1-CG 4.42Å; F295-E299 VanDerWaalsContact CE1-CD 3.47Å; F295-E299 HydrophobicContact CE1-CG 4.07Å; F295-E299 WeakPolarHBondContact CE1-OE1 3.31Å; F295-E299 HydrophobicContact CZ-CG 4.39Å; F295-E299 WeakPolarHBondContact CZ-OE1 3.23Å; F295-E299 PolarHBondContact O-N 3.23Å; F295-E299 VanDerWaalsContact O-N 3.1Å; M296-E299 PolarHBondContact O-N 2.75Å; M296-E299 VanDerWaalsContact O-N 3.14Å; E299-L302 PolarHBondContact O-N 3.14Å; E299-A303 WeakPolarHBondContact O-CB 3.45Å; E299-A303 PolarHBondContact O-N 2.93Å |
| 300 | D | 63.5 | Low | 68.9 | Low | 34 Ų | 34 | 70.5 Ų | 70.5 | 18% | 0.182 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -68.2 | -42.6 | 178.5 | -68.6 | -26.4 | 0 | 0 | 0 | 111.9 | M296 M297 K298 L302 A303 L304 | M296-D300 PolarHBondContact O-N 3.29Å; M297-D300 PolarHBondContact O-N 2.9Å; K298-D300 VanDerWaalsContact C-N 3.27Å; D300-L302 VanDerWaalsContact C-N 3.31Å; D300-L302 PolarHBondContact O-N 3.26Å; D300-A303 WeakPolarHBondContact O-CB 3.42Å; D300-A303 PolarHBondContact O-N 2.76Å; D300-A303 VanDerWaalsContact O-N 3.14Å; D300-L304 WeakPolarHBondContact O-CG 3.16Å; D300-L304 PolarHBondContact O-N 3.35Å |
| 301 | D | 65 | Low | 67.3 | Low | 83 Ų | 83 | 76.9 Ų | 76.9 | 44% | 0.444 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60.7 | -39.5 | 174.3 | -78.9 | -15.7 | 0 | 0 | 0 | 112 | M297 K298 L304 T305 | M297-D301 PolarHBondContact O-N 3.38Å; K298-D301 PolarHBondContact O-N 3.03Å; D301-L304 PolarHBondContact O-N 3.24Å; D301-T305 WeakPolarHBondContact O-CG2 3.33Å; D301-T305 PolarHBondContact O-N 3.19Å; D301-T305 VanDerWaalsContact O-N 3.08Å; D301-T305 PolarHBondContact O-OG1 3Å |
| 302 | L | 54.2 | Low | 65.5 | Low | 98 Ų | 98 | 81.2 Ų | 81.2 | 51% | 0.513 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -68.4 | -36.9 | 174.2 | -70.8 | 170.2 | 0 | 0 | 0 | 111.9 | K298 E299 D300 T305 T306 | K298-L302 HydrophobicContact CG-CD1 4.14Å; K298-L302 WeakPolarHBondContact O-CB 3.43Å; K298-L302 VanDerWaalsContact O-CG 3.28Å; K298-L302 WeakPolarHBondContact O-CG 3.29Å; K298-L302 PolarHBondContact O-N 3.28Å; E299-L302 PolarHBondContact O-N 3.14Å; D300-L302 VanDerWaalsContact C-N 3.31Å; D300-L302 PolarHBondContact O-N 3.26Å; L302-T305 WeakPolarHBondContact CA-OG1 3.44Å; L302-T305 PolarHBondContact O-OG1 3Å; L302-T306 WeakPolarHBondContact O-CB 3.3Å; L302-T306 VanDerWaalsContact O-CG2 3.3Å; L302-T306 WeakPolarHBondContact O-CG2 3.38Å; L302-T306 PolarHBondContact O-N 3.45Å; L302-T306 PolarHBondContact O-OG1 2.66Å |
| 303 | A | 57 | Low | 63.5 | Low | 37 Ų | 37 | 87.9 Ų | 87.9 | 31% | 0.306 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -67.6 | -38.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | E299 D300 T306 R307 | E299-A303 WeakPolarHBondContact O-CB 3.45Å; E299-A303 PolarHBondContact O-N 2.93Å; D300-A303 WeakPolarHBondContact O-CB 3.42Å; D300-A303 PolarHBondContact O-N 2.76Å; D300-A303 VanDerWaalsContact O-N 3.14Å; A303-T306 WeakPolarHBondContact CA-OG1 3.36Å; A303-T306 PolarHBondContact O-OG1 3.35Å; A303-R307 WeakPolarHBondContact O-CB 3.49Å; A303-R307 VanDerWaalsContact O-CG 3.27Å; A303-R307 WeakPolarHBondContact O-CG 3.41Å; A303-R307 PolarHBondContact O-N 3.3Å |
| 304 | L | 58.4 | Low | 61.8 | Low | 64 Ų | 64 | 91 Ų | 91 | 34% | 0.335 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -68.3 | -43.5 | 177.6 | -73.1 | 170.5 | 0 | 0 | 0 | 112 | D300 D301 R307 S308 | D300-L304 WeakPolarHBondContact O-CG 3.16Å; D300-L304 PolarHBondContact O-N 3.35Å; D301-L304 PolarHBondContact O-N 3.24Å; L304-R307 PolarHBondContact O-N 3.45Å; L304-S308 PolarHBondContact O-N 2.86Å; L304-S308 PolarHBondContact O-OG 2.73Å |
| 305 | T | 59.3 | Low | 60.4 | Low | 65 Ų | 65 | 95.7 Ų | 95.7 | 40% | 0.399 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.1 | -42.2 | 176 | 49.1 | 0 | 0 | 0 | 0 | 112.1 | D301 L302 R307 S308 H309 | D301-T305 WeakPolarHBondContact O-CG2 3.33Å; D301-T305 PolarHBondContact O-N 3.19Å; D301-T305 VanDerWaalsContact O-N 3.08Å; D301-T305 PolarHBondContact O-OG1 3Å; L302-T305 WeakPolarHBondContact CA-OG1 3.44Å; L302-T305 PolarHBondContact O-OG1 3Å; T305-R307 VanDerWaalsContact C-N 3.33Å; T305-R307 PolarHBondContact O-N 3.13Å; T305-S308 PolarHBondContact O-N 3.49Å; T305-S308 PolarHBondContact O-OG 2.63Å; T305-H309 PolarHBondContact O-CD2 2.95Å; T305-H309 PolarHBondContact O-N 3.29Å |
| 306 | T | 57.6 | Low | 59 | Low | 81 Ų | 81 | 95.2 Ų | 95.2 | 50% | 0.497 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.6 | -33.8 | 175.9 | 51.1 | 0 | 0 | 0 | 0 | 113.1 | L302 A303 K310 | L302-T306 WeakPolarHBondContact O-CB 3.3Å; L302-T306 VanDerWaalsContact O-CG2 3.3Å; L302-T306 WeakPolarHBondContact O-CG2 3.38Å; L302-T306 PolarHBondContact O-N 3.45Å; L302-T306 PolarHBondContact O-OG1 2.66Å; A303-T306 WeakPolarHBondContact CA-OG1 3.36Å; A303-T306 PolarHBondContact O-OG1 3.35Å; T306-K310 WeakPolarHBondContact O-CG 3.45Å; T306-K310 PolarHBondContact O-N 3.42Å |
| 307 | R | 57.9 | Low | 57.7 | Low | 154 Ų | 154 | 98.6 Ų | 98.6 | 58% | 0.581 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -69.9 | -42.9 | 173.6 | -75.2 | 175.5 | -177.9 | -173.7 | 1.2 | 112.5 | A303 L304 T305 H309 K310 I311 | A303-R307 WeakPolarHBondContact O-CB 3.49Å; A303-R307 VanDerWaalsContact O-CG 3.27Å; A303-R307 WeakPolarHBondContact O-CG 3.41Å; A303-R307 PolarHBondContact O-N 3.3Å; L304-R307 PolarHBondContact O-N 3.45Å; T305-R307 VanDerWaalsContact C-N 3.33Å; T305-R307 PolarHBondContact O-N 3.13Å; R307-H309 VanDerWaalsContact C-N 3.3Å; R307-H309 PolarHBondContact O-N 2.97Å; R307-K310 PolarHBondContact O-N 2.82Å; R307-K310 VanDerWaalsContact O-N 3.16Å; R307-I311 PolarHBondContact O-N 2.73Å |
| 308 | S | 57.1 | Low | 56.6 | Low | 61 Ų | 61 | 105.1 Ų | 105.1 | 43% | 0.427 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.9 | -36.8 | 177.9 | 64.1 | 0 | 0 | 0 | 0 | 111.8 | L304 T305 K310 I311 T312 | L304-S308 PolarHBondContact O-N 2.86Å; L304-S308 PolarHBondContact O-OG 2.73Å; T305-S308 PolarHBondContact O-N 3.49Å; T305-S308 PolarHBondContact O-OG 2.63Å; S308-K310 VanDerWaalsContact C-N 3.35Å; S308-K310 PolarHBondContact O-N 3.15Å; S308-I311 PolarHBondContact O-N 3.13Å; S308-T312 PolarHBondContact O-OG1 2.86Å |
| 309 | H | 53 | Low | 55.5 | Low | 131 Ų | 131 | 109.1 Ų | 109.1 | 61% | 0.606 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -68.2 | -29.1 | 174.1 | -73.5 | -60.3 | 0 | 0 | 0 | 114 | T305 R307 | T305-H309 PolarHBondContact O-CD2 2.95Å; T305-H309 PolarHBondContact O-N 3.29Å; R307-H309 VanDerWaalsContact C-N 3.3Å; R307-H309 PolarHBondContact O-N 2.97Å |
| 310 | K | 54.6 | Low | 55 | Low | 169 Ų | 169 | 111.4 Ų | 111.4 | 74% | 0.735 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -72.7 | -30.6 | 175.1 | -78.6 | -176.1 | 178.6 | -174.9 | 0 | 113.1 | T306 R307 S308 T312 Y313 | T306-K310 WeakPolarHBondContact O-CG 3.45Å; T306-K310 PolarHBondContact O-N 3.42Å; R307-K310 PolarHBondContact O-N 2.82Å; R307-K310 VanDerWaalsContact O-N 3.16Å; S308-K310 VanDerWaalsContact C-N 3.35Å; S308-K310 PolarHBondContact O-N 3.15Å; K310-T312 PolarHBondContact O-N 3.49Å; K310-Y313 PolarHBondContact O-N 3.38Å |
| 311 | I | 55.6 | Low | 54.4 | Low | 138 Ų | 138 | 113.4 Ų | 113.4 | 71% | 0.708 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -68.2 | -26.5 | -180 | -65.7 | 168.9 | 0 | 0 | 0 | 111.4 | R307 S308 Y313 | R307-I311 PolarHBondContact O-N 2.73Å; S308-I311 PolarHBondContact O-N 3.13Å; I311-Y313 VanDerWaalsContact C-N 3.26Å; I311-Y313 PolarHBondContact O-N 2.98Å |
| 312 | T | 51.8 | Low | 53.6 | Low | 110 Ų | 110 | 118.3 Ų | 118.3 | 68% | 0.675 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | -2.6 | -178.9 | -34.1 | 0 | 0 | 0 | 0 | 114.5 | S308 K310 | S308-T312 PolarHBondContact O-OG1 2.86Å; K310-T312 PolarHBondContact O-N 3.49Å |
| 313 | Y | 47.8 | Very low | 53.1 | Low | 204 Ų | 204 | 123 Ų | 123 | 80% | 0.8 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.2 | 32 | 176.4 | -73.9 | -80.7 | 0 | 0 | 0 | 113.4 | K310 I311 P315 | K310-Y313 PolarHBondContact O-N 3.38Å; I311-Y313 VanDerWaalsContact C-N 3.26Å; I311-Y313 PolarHBondContact O-N 2.98Å; Y313-P315 WeakPolarHBondContact O-CD 3.4Å |
| 314 | A | 50.7 | Low | 52.7 | Low | 79 Ų | 79 | 130.6 Ų | 130.6 | 65% | 0.653 | 69% | 0.687 | S | S | * | * | trans | -73.2 | 104.4 | 150.5 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 315 | P | 55.8 | Low | 52.4 | Low | 109 Ų | 109 | 139.2 Ų | 139.2 | 71% | 0.708 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 136.2 | 170.9 | 23.8 | -32 | 0 | 0 | 0 | 107.3 | Y313 | Y313-P315 WeakPolarHBondContact O-CD 3.4Š|
| 316 | P | 53.4 | Low | 52.1 | Low | 107 Ų | 107 | 143 Ų | 143 | 70% | 0.695 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 139.9 | 179.4 | 22.2 | -31.9 | 0 | 0 | 0 | 108.2 | Q318 | P316-Q318 PolarHBondContact O-N 3.24Š|
| 317 | P | 52.9 | Low | 51.8 | Low | 110 Ų | 110 | 146.2 Ų | 146.2 | 71% | 0.714 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 118.8 | 173.3 | 20.9 | -29.8 | 0 | 0 | 0 | 106.5 | Q319 | P317-Q319 PolarHBondContact O-N 3.45Š|
| 318 | Q | 50.3 | Low | 51.4 | Low | 188 Ų | 188 | 145.8 Ų | 145.8 | 88% | 0.879 | 77% | 0.773 | S | S | * | * | trans | -60.7 | 85.8 | 165.7 | -76.9 | 179.2 | -30.3 | 0 | 0 | 105.3 | P316 V320 | P316-Q318 PolarHBondContact O-N 3.24Å; Q318-V320 PolarHBondContact O-N 3.27Å | ||
| 319 | Q | 49.6 | Very low | 51.1 | Low | 170 Ų | 170 | 150.8 Ų | 150.8 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | trans | -67.4 | 92.4 | 162.9 | -77.8 | -171.7 | -23.5 | 0 | 0 | 104.7 | P317 A321 | P317-Q319 PolarHBondContact O-N 3.45Å; Q319-A321 PolarHBondContact O-N 3.48Å | ||
| 320 | V | 50.1 | Low | 51 | Low | 148 Ų | 148 | 152 Ų | 152 | 90% | 0.897 | 81% | 0.805 | S | S | * | * | trans | -44.1 | 93.1 | 155.5 | 179.5 | 0 | 0 | 0 | 0 | 106.7 | Q318 | Q318-V320 PolarHBondContact O-N 3.27Š| ||
| 321 | A | 49.4 | Very low | 50.8 | Low | 76 Ų | 76 | 150.9 Ų | 150.9 | 63% | 0.628 | 81% | 0.809 | S | S | * | * | trans | -135.4 | 114.7 | 169 | 0 | 0 | 0 | 0 | 0 | 106.4 | Q319 | Q319-A321 PolarHBondContact O-N 3.48Š| ||
| 322 | Q | 48.5 | Very low | 50.4 | Low | 186 Ų | 186 | 151.8 Ų | 151.8 | 87% | 0.869 | 82% | 0.816 | S | S | * | * | trans | 85.3 | 61.4 | 156 | -56.1 | 175.9 | -33.1 | 0 | 0 | 117.8 | ||||
| 323 | Q | 44.3 | Very low | 50.3 | Low | 195 Ų | 195 | 155 Ų | 155 | 91% | 0.911 | 83% | 0.827 | S | S | * | * | -128.3 | 108.8 | 126.7 | -86.8 | 173 | -51 | 0 | 0 | 102.7 | |||||
| 324 | E | 48.1 | Very low | 50.5 | Low | 198 Ų | 198 | 150.9 Ų | 150.9 | 93% | 0.925 | 83% | 0.83 | S | S | * | * | -139.9 | 147.2 | 74.7 | -73 | 174.4 | 148.1 | 0 | 0 | 111.8 | |||||
| 325 | L | 53 | Low | 50.5 | Low | 245 Ų | 245 | 157.5 Ų | 157.5 | 100% | 1.283 | 85% | 0.846 | S | S | * | * | trans | -95.7 | 0 | -171.7 | -147.1 | 145.3 | 0 | 0 | 0 | 109 |
Retrieved 325 of 325 residues in 146.4 ms
(Link to these results)