| 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 | 43.5 | Very low | 62.5 | Low | 206 Ų | 206 | 98.8 Ų | 98.8 | 100% | 1.015 | 56% | 0.557 | S | S | * | * | 0 | 112.1 | 0 | -102.2 | 162.8 | 56.2 | 0 | 0 | 106.4 | A3 L6 | M1-A3 PolarHBondContact O-N 3.37Å; M1-L6 HydrophobicContact CE-CD1 3.66Å | |||
| 2 | D | 48.1 | Very low | 63.1 | Low | 117 Ų | 117 | 94.3 Ų | 94.3 | 63% | 0.626 | 54% | 0.541 | S | S | * | . | trans | -58.6 | 130.2 | -173.9 | -65.1 | -50.9 | 0 | 0 | 0 | 110.7 | A4 L5 L6 | D2-A4 PolarHBondContact O-N 3.47Å; D2-A4 VanDerWaalsContact O-N 3.07Å; D2-L5 HydrophobicContact CB-CB 4.4Å; D2-L5 WeakPolarHBondContact O-CA 3.44Å; D2-L5 WeakPolarHBondContact O-CB 3.49Å; D2-L5 PolarHBondContact O-N 3.35Å; D2-L6 PolarHBondContact O-N 2.77Å; D2-L6 VanDerWaalsContact O-N 3.16Å | ||
| 3 | A | 55.4 | Low | 64.1 | Low | 83 Ų | 83 | 95.5 Ų | 95.5 | 69% | 0.686 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -54 | -30.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | M1 L6 H7 | M1-A3 PolarHBondContact O-N 3.37Å; A3-L6 PolarHBondContact O-N 3.17Å; A3-H7 WeakPolarHBondContact O-CB 3.5Å; A3-H7 PolarHBondContact O-N 3.41Å |
| 4 | A | 64.4 | Low | 65.2 | Low | 77 Ų | 77 | 89.3 Ų | 89.3 | 64% | 0.636 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.9 | -37.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | D2 S8 | D2-A4 PolarHBondContact O-N 3.47Å; D2-A4 VanDerWaalsContact O-N 3.07Å; A4-S8 WeakPolarHBondContact O-CB 3.45Å; A4-S8 PolarHBondContact O-N 3.45Å; A4-S8 PolarHBondContact O-OG 3.25Å |
| 5 | L | 66.8 | Low | 65.8 | Low | 101 Ų | 101 | 87.4 Ų | 87.4 | 53% | 0.529 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -71.9 | -35.9 | 176.8 | -119.6 | 161 | 0 | 0 | 0 | 111 | D2 S8 L9 | D2-L5 HydrophobicContact CB-CB 4.4Å; D2-L5 WeakPolarHBondContact O-CA 3.44Å; D2-L5 WeakPolarHBondContact O-CB 3.49Å; D2-L5 PolarHBondContact O-N 3.35Å; L5-S8 PolarHBondContact O-OG 2.95Å; L5-L9 HydrophobicContact CD2-CD1 4.44Å; L5-L9 WeakPolarHBondContact O-CB 3.47Å; L5-L9 WeakPolarHBondContact O-CD1 3.33Å; L5-L9 WeakPolarHBondContact O-CG 3.4Å; L5-L9 PolarHBondContact O-N 2.74Å; L5-L9 VanDerWaalsContact O-N 3.13Å |
| 6 | L | 66 | Low | 66.2 | Low | 86 Ų | 86 | 88.9 Ų | 88.9 | 45% | 0.45 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.8 | -44 | 174.8 | -155.7 | 99.3 | 0 | 0 | 0 | 111.2 | M1 D2 A3 L9 L10 | M1-L6 HydrophobicContact CE-CD1 3.66Å; D2-L6 PolarHBondContact O-N 2.77Å; D2-L6 VanDerWaalsContact O-N 3.16Å; A3-L6 PolarHBondContact O-N 3.17Å; L6-L9 PolarHBondContact O-N 2.88Å; L6-L10 HydrophobicContact CD2-CD1 4.07Å; L6-L10 HydrophobicContact CG-CD1 4.39Å; L6-L10 VanDerWaalsContact O-CG 3.3Å; L6-L10 WeakPolarHBondContact O-CG 3.25Å; L6-L10 PolarHBondContact O-N 3.14Å |
| 7 | H | 65.3 | Low | 66.4 | Low | 84 Ų | 84 | 86.3 Ų | 86.3 | 39% | 0.389 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.7 | -42.4 | 179 | -163.9 | -76.6 | 0 | 0 | 0 | 112.1 | A3 L9 L10 E11 | A3-H7 WeakPolarHBondContact O-CB 3.5Å; A3-H7 PolarHBondContact O-N 3.41Å; H7-L9 PolarHBondContact O-N 3.19Å; H7-L10 PolarHBondContact O-N 2.69Å; H7-E11 IonicContact CE1-OE1 3.53Å; H7-E11 PolarHBondContact CE1-OE1 2.85Å; H7-E11 IonicContact ND1-OE1 3.84Å; H7-E11 IonicContact ND1-OE2 3.63Å; H7-E11 PolarHBondContact O-N 3.43Å |
| 8 | S | 66.8 | Low | 66.7 | Low | 58 Ų | 58 | 82 Ų | 82 | 41% | 0.406 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -66.7 | -36.5 | 177.5 | 64.3 | 0 | 0 | 0 | 0 | 112.5 | A4 L5 A12 | A4-S8 WeakPolarHBondContact O-CB 3.45Å; A4-S8 PolarHBondContact O-N 3.45Å; A4-S8 PolarHBondContact O-OG 3.25Å; L5-S8 PolarHBondContact O-OG 2.95Å; S8-A12 WeakPolarHBondContact O-CB 3.42Å; S8-A12 PolarHBondContact O-N 3.13Å |
| 9 | L | 71.5 | Confident | 66.8 | Low | 106 Ų | 106 | 80.1 Ų | 80.1 | 56% | 0.555 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -65.3 | -40.9 | 172.4 | -72.2 | 172 | 0 | 0 | 0 | 111.8 | L5 L6 H7 A12 N13 | L5-L9 HydrophobicContact CD2-CD1 4.44Å; L5-L9 WeakPolarHBondContact O-CB 3.47Å; L5-L9 WeakPolarHBondContact O-CD1 3.33Å; L5-L9 WeakPolarHBondContact O-CG 3.4Å; L5-L9 PolarHBondContact O-N 2.74Å; L5-L9 VanDerWaalsContact O-N 3.13Å; L6-L9 PolarHBondContact O-N 2.88Å; H7-L9 PolarHBondContact O-N 3.19Å; L9-A12 PolarHBondContact O-N 2.85Å; L9-N13 WeakPolarHBondContact O-CB 3.46Å; L9-N13 PolarHBondContact O-N 2.86Å |
| 10 | L | 69.8 | Low | 66.8 | Low | 80 Ų | 80 | 82.9 Ų | 82.9 | 42% | 0.419 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66.5 | -40 | 177.2 | -73.7 | 164 | 0 | 0 | 0 | 112.1 | L6 H7 N13 C14 L44 | L6-L10 HydrophobicContact CD2-CD1 4.07Å; L6-L10 HydrophobicContact CG-CD1 4.39Å; L6-L10 VanDerWaalsContact O-CG 3.3Å; L6-L10 WeakPolarHBondContact O-CG 3.25Å; L6-L10 PolarHBondContact O-N 3.14Å; H7-L10 PolarHBondContact O-N 2.69Å; L10-N13 PolarHBondContact O-N 3.21Å; L10-C14 VanDerWaalsContact O-CB 3.28Å; L10-C14 WeakPolarHBondContact O-CB 3.42Å; L10-C14 PolarHBondContact O-N 3.21Å; L10-L44 HydrophobicContact CB-CD2 3.54Å; L10-L44 HydrophobicContact CD1-CD2 4.46Å |
| 11 | E | 69.8 | Low | 66.9 | Low | 89 Ų | 89 | 82.5 Ų | 82.5 | 42% | 0.416 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65 | -40.7 | 173.7 | -77.3 | -178.1 | 156.9 | 0 | 0 | 112.3 | H7 N13 C14 S15 L44 | H7-E11 IonicContact CE1-OE1 3.53Å; H7-E11 PolarHBondContact CE1-OE1 2.85Å; H7-E11 IonicContact ND1-OE1 3.84Å; H7-E11 IonicContact ND1-OE2 3.63Å; H7-E11 PolarHBondContact O-N 3.43Å; E11-N13 VanDerWaalsContact C-N 3.31Å; E11-N13 PolarHBondContact O-N 3.29Å; E11-C14 PolarHBondContact O-N 3.39Å; E11-S15 PolarHBondContact O-N 3.42Å; E11-S15 PolarHBondContact O-OG 3.37Å; E11-L44 HydrophobicContact CG-CB 3.99Å; E11-L44 HydrophobicContact CG-CD2 4.45Å |
| 12 | A | 70.5 | Confident | 67.9 | Low | 45 Ų | 45 | 79 Ų | 79 | 37% | 0.372 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62 | -40.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | S8 L9 S15 L16 | S8-A12 WeakPolarHBondContact O-CB 3.42Å; S8-A12 PolarHBondContact O-N 3.13Å; L9-A12 PolarHBondContact O-N 2.85Å; A12-S15 WeakPolarHBondContact CA-OG 3.45Å; A12-S15 PolarHBondContact O-N 2.94Å; A12-S15 PolarHBondContact O-OG 3.26Å; A12-L16 PolarHBondContact O-N 2.94Å |
| 13 | N | 76 | Confident | 68.6 | Low | 109 Ų | 109 | 80.2 Ų | 80.2 | 58% | 0.583 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -70.3 | -36.3 | 177.8 | -138.3 | 31.8 | 0 | 0 | 0 | 112.3 | L9 L10 E11 L16 A17 | L9-N13 WeakPolarHBondContact O-CB 3.46Å; L9-N13 PolarHBondContact O-N 2.86Å; L10-N13 PolarHBondContact O-N 3.21Å; E11-N13 VanDerWaalsContact C-N 3.31Å; E11-N13 PolarHBondContact O-N 3.29Å; N13-L16 PolarHBondContact O-N 3.23Å; N13-A17 WeakPolarHBondContact O-CB 3.43Å; N13-A17 PolarHBondContact O-N 2.81Å |
| 14 | C | 79.4 | Confident | 68.9 | Low | 9 Ų | 9 | 83.2 Ų | 83.2 | 6% | 0.061 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -61.9 | -46.5 | 174 | 162 | 0 | 0 | 0 | 0 | 111.5 | L10 E11 A17 L18 L44 C50 | L10-C14 VanDerWaalsContact O-CB 3.28Å; L10-C14 WeakPolarHBondContact O-CB 3.42Å; L10-C14 PolarHBondContact O-N 3.21Å; E11-C14 PolarHBondContact O-N 3.39Å; C14-A17 PolarHBondContact O-N 3.41Å; C14-L18 WeakPolarHBondContact O-CG 3.37Å; C14-L18 PolarHBondContact O-N 2.91Å; C14-L18 VanDerWaalsContact O-N 3.08Å; C14-L44 HydrophobicContact CB-CD1 4.11Å; C14-C50 VanDerWaalsContact C-SG 3.53Å; C14-C50 WeakPolarHBondContact CA-SG 3.31Å; C14-C50 HydrophobicContact CB-CB 3.74Å; C14-C50 WeakPolarHBondContact CB-SG 3.49Å; C14-C50 PolarHBondContact O-SG 3.31Å; C14-C50 VanDerWaalsContact SG-CA 3.59Å; C14-C50 WeakPolarHBondContact SG-CB 3.24Å; C14-C50 CovalentContact SG-SG 2.01Å; C14-C50 PolarHBondContact SG-SG 2.67Å |
| 15 | S | 73.7 | Confident | 68.7 | Low | 61 Ų | 61 | 86.2 Ų | 86.2 | 43% | 0.427 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -66 | -36.8 | 176.6 | 49.9 | 0 | 0 | 0 | 0 | 113.2 | E11 A12 A19 | E11-S15 PolarHBondContact O-N 3.42Å; E11-S15 PolarHBondContact O-OG 3.37Å; A12-S15 WeakPolarHBondContact CA-OG 3.45Å; A12-S15 PolarHBondContact O-N 2.94Å; A12-S15 PolarHBondContact O-OG 3.26Å; S15-A19 WeakPolarHBondContact O-CB 3.33Å; S15-A19 PolarHBondContact O-N 3.08Å |
| 16 | L | 72.8 | Confident | 67.7 | Low | 111 Ų | 111 | 84 Ų | 84 | 58% | 0.581 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -65.5 | -47.2 | 173.1 | -83 | 161 | 0 | 0 | 0 | 112.7 | A12 N13 L18 A19 E20 | A12-L16 PolarHBondContact O-N 2.94Å; N13-L16 PolarHBondContact O-N 3.23Å; L16-L18 VanDerWaalsContact C-N 3.3Å; L16-L18 PolarHBondContact O-N 3.29Å; L16-A19 WeakPolarHBondContact O-CB 3.26Å; L16-A19 PolarHBondContact O-N 3.37Å; L16-A19 VanDerWaalsContact O-N 3.08Å; L16-E20 PolarHBondContact O-N 3.36Å |
| 17 | A | 69.4 | Low | 66.5 | Low | 45 Ų | 45 | 91.7 Ų | 91.7 | 37% | 0.372 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.6 | -39.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | N13 C14 E20 E21 | N13-A17 WeakPolarHBondContact O-CB 3.43Å; N13-A17 PolarHBondContact O-N 2.81Å; C14-A17 PolarHBondContact O-N 3.41Å; A17-E20 PolarHBondContact O-N 3.1Å; A17-E21 PolarHBondContact O-N 2.97Å |
| 18 | L | 72.1 | Confident | 65.6 | Low | 9 Ų | 9 | 90.6 Ų | 90.6 | 5% | 0.047 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -70.9 | -30.9 | 174.6 | -70 | 176.1 | 0 | 0 | 0 | 113 | C14 L16 E20 E21 L22 T42 C50 P52 | C14-L18 WeakPolarHBondContact O-CG 3.37Å; C14-L18 PolarHBondContact O-N 2.91Å; C14-L18 VanDerWaalsContact O-N 3.08Å; L16-L18 VanDerWaalsContact C-N 3.3Å; L16-L18 PolarHBondContact O-N 3.29Å; L18-E20 VanDerWaalsContact C-N 3.32Å; L18-E21 VanDerWaalsContact CD2-OE2 3.31Å; L18-E21 WeakPolarHBondContact CD2-OE2 3.22Å; L18-E21 PolarHBondContact O-N 3.14Å; L18-L22 WeakPolarHBondContact O-CB 3.49Å; L18-L22 WeakPolarHBondContact O-CG 3.44Å; L18-L22 PolarHBondContact O-N 3.07Å; L18-T42 HydrophobicContact CD1-CG2 3.59Å; L18-C50 WeakPolarHBondContact CD1-SG 3.29Å; L18-C50 VanDerWaalsContact CG-SG 3.55Å; L18-P52 HydrophobicContact CD1-CB 3.76Å; L18-P52 HydrophobicContact CD2-CB 3.88Å; L18-P52 HydrophobicContact CD2-CG 4.44Å; L18-P52 HydrophobicContact CG-CB 4.41Å |
| 19 | A | 68 | Low | 64.6 | Low | 45 Ų | 45 | 93.3 Ų | 93.3 | 37% | 0.372 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.1 | -37.6 | 173 | 0 | 0 | 0 | 0 | 0 | 111.1 | S15 L16 L23 | S15-A19 WeakPolarHBondContact O-CB 3.33Å; S15-A19 PolarHBondContact O-N 3.08Å; L16-A19 WeakPolarHBondContact O-CB 3.26Å; L16-A19 PolarHBondContact O-N 3.37Å; L16-A19 VanDerWaalsContact O-N 3.08Å; A19-L23 VanDerWaalsContact O-CG 3.25Å; A19-L23 WeakPolarHBondContact O-CG 3.37Å; A19-L23 PolarHBondContact O-N 3.12Å |
| 20 | E | 67.5 | Low | 63.7 | Low | 136 Ų | 136 | 93 Ų | 93 | 64% | 0.636 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65.5 | -43 | 170.5 | -89.7 | -177.2 | 135.1 | 0 | 0 | 112.7 | L16 A17 L18 L22 L23 L24 | L16-E20 PolarHBondContact O-N 3.36Å; A17-E20 PolarHBondContact O-N 3.1Å; L18-E20 VanDerWaalsContact C-N 3.32Å; E20-L22 PolarHBondContact O-N 3.12Å; E20-L23 PolarHBondContact O-N 2.99Å; E20-L24 WeakPolarHBondContact O-CG 3.24Å; E20-L24 PolarHBondContact O-N 3.13Å |
| 21 | E | 68 | Low | 62.9 | Low | 76 Ų | 76 | 94.2 Ų | 94.2 | 36% | 0.355 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -59.4 | -45.1 | 174.7 | -78.5 | -179.7 | -174 | 0 | 0 | 111.3 | A17 L18 L23 L24 D25 R62 | A17-E21 PolarHBondContact O-N 2.97Å; L18-E21 VanDerWaalsContact CD2-OE2 3.31Å; L18-E21 WeakPolarHBondContact CD2-OE2 3.22Å; L18-E21 PolarHBondContact O-N 3.14Å; E21-L23 VanDerWaalsContact C-N 3.3Å; E21-L23 PolarHBondContact O-N 3.44Å; E21-L24 PolarHBondContact O-N 3.45Å; E21-L24 VanDerWaalsContact O-N 3.14Å; E21-D25 PolarHBondContact O-N 2.72Å; E21-R62 IonicContact OE1-CZ 3.94Å; E21-R62 IonicContact OE1-NH1 2.79Å; E21-R62 PolarHBondContact OE1-NH1 3.22Å; E21-R62 VanDerWaalsContact OE1-NH1 3.15Å; E21-R62 IonicContact OE1-NH2 2.68Å; E21-R62 PolarHBondContact OE1-NH2 3.19Å; E21-R62 IonicContact OE2-CZ 3.48Å; E21-R62 IonicContact OE2-NH1 3.64Å; E21-R62 PolarHBondContact OE2-NH1 2.91Å; E21-R62 IonicContact OE2-NH2 3.56Å |
| 22 | L | 64.4 | Low | 61.8 | Low | 131 Ų | 131 | 96.5 Ų | 96.5 | 69% | 0.686 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -64.9 | -31.1 | 177.2 | -75.1 | 168.1 | 0 | 0 | 0 | 113.3 | L18 E20 | L18-L22 WeakPolarHBondContact O-CB 3.49Å; L18-L22 WeakPolarHBondContact O-CG 3.44Å; L18-L22 PolarHBondContact O-N 3.07Å; E20-L22 PolarHBondContact O-N 3.12Å |
| 23 | L | 63.7 | Low | 61 | Low | 143 Ų | 143 | 100.1 Ų | 100.1 | 75% | 0.749 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -72 | -32.7 | 174.6 | -75.2 | 170.5 | 0 | 0 | 0 | 111.9 | A19 E20 E21 | A19-L23 VanDerWaalsContact O-CG 3.25Å; A19-L23 WeakPolarHBondContact O-CG 3.37Å; A19-L23 PolarHBondContact O-N 3.12Å; E20-L23 PolarHBondContact O-N 2.99Å; E21-L23 VanDerWaalsContact C-N 3.3Å; E21-L23 PolarHBondContact O-N 3.44Å |
| 24 | L | 62 | Low | 59.8 | Low | 147 Ų | 147 | 104 Ų | 104 | 77% | 0.77 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -77.7 | -36.1 | 178.6 | -76 | 164 | 0 | 0 | 0 | 112.7 | E20 E21 G26 | E20-L24 WeakPolarHBondContact O-CG 3.24Å; E20-L24 PolarHBondContact O-N 3.13Å; E21-L24 PolarHBondContact O-N 3.45Å; E21-L24 VanDerWaalsContact O-N 3.14Å; L24-G26 VanDerWaalsContact C-N 3.26Å; L24-G26 PolarHBondContact O-N 2.92Å |
| 25 | D | 59.6 | Low | 58.6 | Low | 140 Ų | 140 | 105 Ų | 105 | 75% | 0.749 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -82.4 | 5.6 | -176.2 | -84 | -19.8 | 0 | 0 | 0 | 115.1 | E21 | E21-D25 PolarHBondContact O-N 2.72Š|
| 26 | G | 45.7 | Very low | 57.7 | Low | 54 Ų | 54 | 108.4 Ų | 108.4 | 56% | 0.557 | 62% | 0.617 | S | S | * | * | trans | 61 | 82.5 | 165.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | L24 G28 | L24-G26 VanDerWaalsContact C-N 3.26Å; L24-G26 PolarHBondContact O-N 2.92Å; G26-G28 PolarHBondContact O-N 2.81Å | ||
| 27 | W | 41.4 | Very low | 57 | Low | 247 Ų | 247 | 112.1 Ų | 112.1 | 94% | 0.936 | 63% | 0.625 | S | S | * | * | trans | 44.8 | 67.9 | 162.1 | -81.7 | 44.6 | 0 | 0 | 0 | 114.7 | ||||
| 28 | G | 46 | Very low | 57.4 | Low | 61 Ų | 61 | 112 Ų | 112 | 63% | 0.629 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 138.2 | 146.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | G26 | G26-G28 PolarHBondContact O-N 2.81Š|
| 29 | P | 45.5 | Very low | 58 | Low | 116 Ų | 116 | 116.9 Ų | 116.9 | 75% | 0.753 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 138.2 | -178.2 | 22 | -31.7 | 0 | 0 | 0 | 109.5 | L31 | P29-L31 PolarHBondContact O-N 2.92Å; P29-L31 VanDerWaalsContact O-N 3.15Å |
| 30 | P | 51.6 | Low | 59 | Low | 100 Ų | 100 | 114.8 Ų | 114.8 | 65% | 0.649 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 127.6 | 173.1 | 24 | -30.1 | 0 | 0 | 0 | 107.2 | D32 | P30-D32 PolarHBondContact O-N 3.13Š|
| 31 | L | 54.1 | Low | 59.9 | Low | 104 Ų | 104 | 112.4 Ų | 112.4 | 55% | 0.545 | 61% | 0.614 | S | S | . | * | trans | -56.9 | 105.3 | 168.4 | -84.5 | 136 | 0 | 0 | 0 | 106.5 | P29 A55 | P29-L31 PolarHBondContact O-N 2.92Å; P29-L31 VanDerWaalsContact O-N 3.15Å; L31-A55 HydrophobicContact CD2-CB 4.28Å | ||
| 32 | D | 47.2 | Very low | 60.9 | Low | 138 Ų | 138 | 111.4 Ų | 111.4 | 74% | 0.738 | 61% | 0.614 | S | S | * | * | trans | -52.1 | 121.4 | -176.3 | -83 | -37.7 | 0 | 0 | 0 | 109.2 | P30 E34 | P30-D32 PolarHBondContact O-N 3.13Å; D32-E34 PolarHBondContact O-N 2.89Å | ||
| 33 | P | 53.2 | Low | 62 | Low | 121 Ų | 121 | 107.1 Ų | 107.1 | 79% | 0.786 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | -0.8 | -174.6 | -11.9 | 24.9 | 0 | 0 | 0 | 114.3 | ||
| 34 | E | 50.8 | Low | 63.1 | Low | 191 Ų | 191 | 101.4 Ų | 101.4 | 89% | 0.893 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.8 | 10.5 | -164 | -65.9 | -175 | 152.2 | 0 | 0 | 114.8 | D32 | D32-E34 PolarHBondContact O-N 2.89Š|
| 35 | G | 53.3 | Low | 64.2 | Low | 30 Ų | 30 | 95.2 Ų | 95.2 | 31% | 0.309 | 53% | 0.53 | S | S | . | . | S | Bend | trans | -94.7 | 156.8 | 167.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y37 | G35-Y37 PolarHBondContact O-N 2.87Š|
| 36 | P | 55.8 | Low | 65.2 | Low | 131 Ų | 131 | 98 Ų | 98 | 85% | 0.851 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -71.2 | 22.9 | 176.5 | 34.2 | -36 | 0 | 0 | 0 | 112.7 | S38 | P36-S38 PolarHBondContact O-N 3.34Š|
| 37 | Y | 58.4 | Low | 66.7 | Low | 189 Ų | 189 | 97.9 Ų | 97.9 | 74% | 0.741 | 53% | 0.525 | S | S | * | . | trans | -84.1 | 111 | -177.7 | -61.5 | -71.2 | 0 | 0 | 0 | 108.7 | G35 | G35-Y37 PolarHBondContact O-N 2.87Š| ||
| 38 | S | 76.6 | Confident | 68.6 | Low | 44 Ų | 44 | 88.3 Ų | 88.3 | 31% | 0.308 | 50% | 0.503 | S | S | . | . | trans | -56.3 | 137.1 | 165.1 | 29.6 | 0 | 0 | 0 | 0 | 109.8 | P36 A56 E85 | P36-S38 PolarHBondContact O-N 3.34Å; S38-A56 WeakPolarHBondContact O-CB 3.46Å; S38-A56 PolarHBondContact O-N 2.88Å; S38-A56 VanDerWaalsContact OG-CB 3.26Å; S38-A56 WeakPolarHBondContact OG-CB 3.49Å; S38-E85 WeakPolarHBondContact CB-O 3.43Å; S38-E85 PolarHBondContact OG-O 3.32Å | ||
| 39 | Y | 86.1 | Confident | 70.4 | Confident | 111 Ų | 111 | 85.9 Ų | 85.9 | 44% | 0.435 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 150.7 | 172.3 | 57.3 | -93.6 | 0 | 0 | 0 | 109.2 | N41 R53 S54 | Y39-N41 VanDerWaalsContact CE2-OD1 3.29Å; Y39-N41 WeakPolarHBondContact CE2-OD1 3.32Å; Y39-R53 HydrophobicContact CD2-CG 4.26Å; Y39-S54 WeakPolarHBondContact CA-O 3.2Å |
| 40 | C | 87.7 | Confident | 72.5 | Confident | 0 Ų | 0 | 81 Ų | 81 | 0% | 0 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 130.2 | 170.5 | -63.8 | 0 | 0 | 0 | 0 | 109.7 | R53 S54 C83 G87 T88 W89 | C40-R53 VanDerWaalsContact O-CA 3.28Å; C40-R53 WeakPolarHBondContact O-CA 3.39Å; C40-S54 PolarHBondContact N-O 3.01Å; C40-S54 PolarHBondContact O-N 3.17Å; C40-S54 VanDerWaalsContact O-N 3.16Å; C40-C83 HydrophobicContact CB-CB 3.84Å; C40-C83 WeakPolarHBondContact CB-SG 3.41Å; C40-C83 PolarHBondContact N-SG 2.83Å; C40-C83 VanDerWaalsContact N-SG 3.37Å; C40-C83 WeakPolarHBondContact SG-CA 2.98Å; C40-C83 WeakPolarHBondContact SG-CB 3.47Å; C40-C83 CovalentContact SG-SG 2.02Å; C40-C83 PolarHBondContact SG-SG 3.15Å; C40-G87 VanDerWaalsContact SG-C 3.54Å; C40-T88 PolarHBondContact SG-O 2.86Å; C40-W89 HydrophobicContact CB-CD2 3.74Å; C40-W89 VanDerWaalsContact CB-CE2 3.4Å; C40-W89 HydrophobicContact CB-CE3 4.32Å; C40-W89 HydrophobicContact CB-CG 4.08Å; C40-W89 HydrophobicContact CB-CH2 4.37Å; C40-W89 HydrophobicContact CB-CZ2 3.75Å |
| 41 | N | 87.7 | Confident | 74.3 | Confident | 86 Ų | 86 | 76.3 Ų | 76.3 | 46% | 0.46 | 41% | 0.414 | S | S | . | . | P | Polyproline II helix | trans | -70.7 | 158.7 | 176.6 | -86.6 | -34.2 | 0 | 0 | 0 | 112.5 | Y39 T43 R53 W89 | Y39-N41 VanDerWaalsContact CE2-OD1 3.29Å; Y39-N41 WeakPolarHBondContact CE2-OD1 3.32Å; N41-T43 PolarHBondContact O-N 3.39Å; N41-R53 PolarHBondContact OD1-NH2 3.43Å; N41-W89 PolarHBondContact O-NE1 2.92Å |
| 42 | T | 87.9 | Confident | 76 | Confident | 56 Ų | 56 | 72.8 Ų | 72.8 | 34% | 0.344 | 40% | 0.397 | S | S | . | . | P | Polyproline II helix | trans | -57.3 | 130.3 | 171.4 | -56.2 | 0 | 0 | 0 | 0 | 110.3 | L18 W51 R53 | L18-T42 HydrophobicContact CD1-CG2 3.59Å; T42-W51 VanDerWaalsContact CA-O 3.25Å; T42-W51 WeakPolarHBondContact CA-O 3.4Å; T42-W51 WeakPolarHBondContact CG2-O 3.45Å; T42-R53 PolarHBondContact OG1-N 3.35Å |
| 43 | T | 88.1 | Confident | 77.9 | Confident | 41 Ų | 41 | 72.6 Ų | 72.6 | 25% | 0.252 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 147.4 | 177.7 | 60.5 | 0 | 0 | 0 | 0 | 111.5 | N41 W51 R81 W89 | N41-T43 PolarHBondContact O-N 3.39Å; T43-W51 PolarHBondContact N-O 3.45Å; T43-W51 WeakPolarHBondContact O-CB 3.31Å; T43-W51 PolarHBondContact O-N 3.35Å; T43-R81 PolarHBondContact OG1-NH1 3.28Å; T43-W89 PolarHBondContact OG1-NE1 3.45Å |
| 44 | L | 86.2 | Confident | 79.5 | Confident | 23 Ų | 23 | 67.6 Ų | 67.6 | 12% | 0.12 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 136.5 | 167.3 | -169 | 76.2 | 0 | 0 | 0 | 108.7 | L10 E11 C14 G48 C50 | L10-L44 HydrophobicContact CB-CD2 3.54Å; L10-L44 HydrophobicContact CD1-CD2 4.46Å; E11-L44 HydrophobicContact CG-CB 3.99Å; E11-L44 HydrophobicContact CG-CD2 4.45Å; C14-L44 HydrophobicContact CB-CD1 4.11Å; L44-G48 WeakPolarHBondContact CD1-O 3.37Å; L44-C50 HydrophobicContact CD1-CB 4.32Å |
| 45 | D | 84.9 | Confident | 81.3 | Confident | 16 Ų | 16 | 60.6 Ų | 60.6 | 9% | 0.086 | 33% | 0.329 | C | S | . | . | trans | -90.9 | 174 | 171.8 | 71.7 | 19.6 | 0 | 0 | 0 | 113.1 | I47 G48 T49 W51 I93 Y95 | D45-I47 PolarHBondContact O-N 3.37Å; D45-I47 VanDerWaalsContact O-N 3.09Å; D45-I47 WeakPolarHBondContact OD1-CA 3.47Å; D45-I47 PolarHBondContact OD1-N 3.09Å; D45-G48 PolarHBondContact O-N 2.83Å; D45-G48 PolarHBondContact OD1-N 3.43Å; D45-G48 VanDerWaalsContact OD1-N 3.07Å; D45-T49 PolarHBondContact N-O 3.17Å; D45-T49 WeakPolarHBondContact OD1-CB 3.48Å; D45-T49 PolarHBondContact OD1-N 2.87Å; D45-T49 WeakPolarHBondContact OD2-CB 3.35Å; D45-W51 PolarHBondContact OD2-NE1 3.08Å; D45-W51 VanDerWaalsContact OD2-NE1 3.08Å; D45-I93 HydrophobicContact CB-CD1 3.78Å; D45-I93 WeakPolarHBondContact OD2-CD1 3.43Å; D45-Y95 PolarHBondContact OD2-OH 3.14Å | ||
| 46 | Q | 80.8 | Confident | 83 | Confident | 198 Ų | 198 | 60.4 Ų | 60.4 | 93% | 0.925 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -14.7 | -177.2 | -65.5 | -179.9 | -5 | 0 | 0 | 114 | ||
| 47 | I | 78.3 | Confident | 84.6 | Confident | 53 Ų | 53 | 55.8 Ų | 55.8 | 27% | 0.272 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | -7.7 | -178.8 | -61 | 173.2 | 0 | 0 | 0 | 110.4 | D45 P65 F68 Y95 | D45-I47 PolarHBondContact O-N 3.37Å; D45-I47 VanDerWaalsContact O-N 3.09Å; D45-I47 WeakPolarHBondContact OD1-CA 3.47Å; D45-I47 PolarHBondContact OD1-N 3.09Å; I47-P65 HydrophobicContact CG2-CB 4.28Å; I47-P65 HydrophobicContact CG2-CG 3.8Å; I47-F68 HydrophobicContact CB-CD2 4.11Å; I47-F68 HydrophobicContact CB-CE2 3.99Å; I47-F68 HydrophobicContact CG1-CD2 4.21Å; I47-F68 HydrophobicContact CG1-CE1 4.45Å; I47-F68 HydrophobicContact CG1-CE2 3.7Å; I47-F68 HydrophobicContact CG1-CZ 3.83Å; I47-F68 HydrophobicContact CG2-CB 4.27Å; I47-F68 HydrophobicContact CG2-CD2 3.49Å; I47-F68 VanDerWaalsContact CG2-CD2 3.49Å; I47-F68 HydrophobicContact CG2-CE2 3.89Å; I47-F68 HydrophobicContact CG2-CG 3.88Å; I47-Y95 HydrophobicContact CD1-CD2 4.27Å; I47-Y95 HydrophobicContact CD1-CE2 3.89Å |
| 48 | G | 80.1 | Confident | 86.1 | Confident | 45 Ų | 45 | 48.3 Ų | 48.3 | 46% | 0.464 | 28% | 0.278 | S | S | . | . | trans | 89.4 | 10.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | L44 D45 | L44-G48 WeakPolarHBondContact CD1-O 3.37Å; D45-G48 PolarHBondContact O-N 2.83Å; D45-G48 PolarHBondContact OD1-N 3.43Å; D45-G48 VanDerWaalsContact OD1-N 3.07Å | ||
| 49 | T | 85.3 | Confident | 86.8 | Confident | 10 Ų | 10 | 51.8 Ų | 51.8 | 6% | 0.061 | 29% | 0.292 | C | S | . | . | trans | -78.6 | 124 | 174.2 | -51.7 | 0 | 0 | 0 | 0 | 109.5 | D45 W51 R62 Y95 | D45-T49 PolarHBondContact N-O 3.17Å; D45-T49 WeakPolarHBondContact OD1-CB 3.48Å; D45-T49 PolarHBondContact OD1-N 2.87Å; D45-T49 WeakPolarHBondContact OD2-CB 3.35Å; T49-W51 HydrophobicContact CG2-CZ2 4.09Å; T49-R62 HydrophobicContact CG2-CB 3.91Å; T49-R62 HydrophobicContact CG2-CG 4.27Å; T49-Y95 VanDerWaalsContact CB-OH 3.23Å; T49-Y95 WeakPolarHBondContact CB-OH 3.42Å; T49-Y95 PolarHBondContact OG1-OH 2.91Å | ||
| 50 | C | 88.6 | Confident | 87.1 | Confident | 15 Ų | 15 | 47.3 Ų | 47.3 | 10% | 0.101 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 122 | 179.5 | -177.6 | 0 | 0 | 0 | 0 | 110.8 | C14 L18 L44 R62 | C14-C50 VanDerWaalsContact C-SG 3.53Å; C14-C50 WeakPolarHBondContact CA-SG 3.31Å; C14-C50 HydrophobicContact CB-CB 3.74Å; C14-C50 WeakPolarHBondContact CB-SG 3.49Å; C14-C50 PolarHBondContact O-SG 3.31Å; C14-C50 VanDerWaalsContact SG-CA 3.59Å; C14-C50 WeakPolarHBondContact SG-CB 3.24Å; C14-C50 CovalentContact SG-SG 2.01Å; C14-C50 PolarHBondContact SG-SG 2.67Å; L18-C50 WeakPolarHBondContact CD1-SG 3.29Å; L18-C50 VanDerWaalsContact CG-SG 3.55Å; L44-C50 HydrophobicContact CD1-CB 4.32Å; C50-R62 PolarHBondContact O-NE 3.34Å; C50-R62 VanDerWaalsContact O-NE 3.12Å |
| 51 | W | 89.1 | Confident | 87.3 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 118 | -179.9 | -64.9 | 92.2 | 0 | 0 | 0 | 110.5 | T42 T43 D45 T49 V60 R62 A79 R81 W89 I93 | T42-W51 VanDerWaalsContact CA-O 3.25Å; T42-W51 WeakPolarHBondContact CA-O 3.4Å; T42-W51 WeakPolarHBondContact CG2-O 3.45Å; T43-W51 PolarHBondContact N-O 3.45Å; T43-W51 WeakPolarHBondContact O-CB 3.31Å; T43-W51 PolarHBondContact O-N 3.35Å; D45-W51 PolarHBondContact OD2-NE1 3.08Å; D45-W51 VanDerWaalsContact OD2-NE1 3.08Å; T49-W51 HydrophobicContact CG2-CZ2 4.09Å; W51-V60 HydrophobicContact CE3-CB 4.27Å; W51-V60 HydrophobicContact CE3-CG1 4.03Å; W51-V60 HydrophobicContact CZ3-CB 4.26Å; W51-V60 HydrophobicContact CZ3-CG1 4.18Å; W51-V60 WeakPolarHBondContact CZ3-O 3.45Å; W51-R62 HydrophobicContact CE3-CG 3.99Å; W51-R62 HydrophobicContact CH2-CB 4.36Å; W51-R62 HydrophobicContact CH2-CG 4.32Å; W51-R62 HydrophobicContact CZ3-CB 4.36Å; W51-R62 HydrophobicContact CZ3-CG 3.87Å; W51-A79 HydrophobicContact CH2-CB 4.4Å; W51-R81 HydrophobicContact CD2-CB 3.88Å; W51-R81 HydrophobicContact CD2-CG 4.38Å; W51-R81 HydrophobicContact CE3-CB 3.5Å; W51-R81 HydrophobicContact CE3-CG 4.4Å; W51-R81 HydrophobicContact CH2-CB 3.42Å; W51-R81 VanDerWaalsContact CH2-CB 3.42Å; W51-R81 HydrophobicContact CZ2-CB 3.78Å; W51-R81 HydrophobicContact CZ3-CB 3.26Å; W51-W89 HydrophobicContact CB-CH2 4.22Å; W51-W89 HydrophobicContact CB-CZ2 3.96Å; W51-I93 HydrophobicContact CH2-CG2 4.05Å; W51-I93 HydrophobicContact CZ2-CG2 3.5Å; W51-I93 VanDerWaalsContact CZ2-CG2 3.5Å |
| 52 | P | 89.3 | Confident | 87.4 | Confident | 31 Ų | 31 | 50.6 Ų | 50.6 | 20% | 0.201 | 29% | 0.287 | C | S | . | . | trans | -74.2 | 156 | -176.6 | 29.4 | -35.3 | 0 | 0 | 0 | 113.5 | L18 S54 V60 W89 | L18-P52 HydrophobicContact CD1-CB 3.76Å; L18-P52 HydrophobicContact CD2-CB 3.88Å; L18-P52 HydrophobicContact CD2-CG 4.44Å; L18-P52 HydrophobicContact CG-CB 4.41Å; P52-S54 PolarHBondContact O-N 3.4Å; P52-S54 PolarHBondContact O-OG 3.44Å; P52-V60 HydrophobicContact CG-CG1 4.03Å; P52-W89 WeakPolarHBondContact O-CH2 3.46Å; P52-W89 WeakPolarHBondContact O-CZ2 3.35Å | ||
| 53 | R | 87.6 | Confident | 87.4 | Confident | 134 Ų | 134 | 51.2 Ų | 51.2 | 51% | 0.506 | 29% | 0.292 | S | S | . | . | trans | -53.5 | 126.1 | 170.7 | 175.4 | 178.6 | -77.5 | 153.5 | -2.8 | 110.1 | Y39 C40 N41 T42 | Y39-R53 HydrophobicContact CD2-CG 4.26Å; C40-R53 VanDerWaalsContact O-CA 3.28Å; C40-R53 WeakPolarHBondContact O-CA 3.39Å; N41-R53 PolarHBondContact OD1-NH2 3.43Å; T42-R53 PolarHBondContact OG1-N 3.35Å | ||
| 54 | S | 87.7 | Confident | 87.5 | Confident | 15 Ų | 15 | 49.4 Ų | 49.4 | 11% | 0.105 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 150.3 | -171.9 | -60.2 | 0 | 0 | 0 | 0 | 111.3 | Y39 C40 P52 V60 | Y39-S54 WeakPolarHBondContact CA-O 3.2Å; C40-S54 PolarHBondContact N-O 3.01Å; C40-S54 PolarHBondContact O-N 3.17Å; C40-S54 VanDerWaalsContact O-N 3.16Å; P52-S54 PolarHBondContact O-N 3.4Å; P52-S54 PolarHBondContact O-OG 3.44Å; S54-V60 WeakPolarHBondContact OG-CG2 3.31Å |
| 55 | A | 88.1 | Confident | 87.5 | Confident | 44 Ų | 44 | 49.5 Ų | 49.5 | 36% | 0.364 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 149.4 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | L31 G57 A58 C83 | L31-A55 HydrophobicContact CD2-CB 4.28Å; A55-G57 PolarHBondContact O-N 3.2Å; A55-A58 WeakPolarHBondContact O-CB 3.4Å; A55-A58 PolarHBondContact O-N 3.26Å; A55-A58 VanDerWaalsContact O-N 3.15Å; A55-C83 WeakPolarHBondContact O-CB 3.06Å; A55-C83 PolarHBondContact O-SG 3Å |
| 56 | A | 89 | Confident | 87.4 | Confident | 26 Ų | 26 | 53.7 Ų | 53.7 | 22% | 0.215 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | 137.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | S38 A58 | S38-A56 WeakPolarHBondContact O-CB 3.46Å; S38-A56 PolarHBondContact O-N 2.88Å; S38-A56 VanDerWaalsContact OG-CB 3.26Å; S38-A56 WeakPolarHBondContact OG-CB 3.49Å; A56-A58 VanDerWaalsContact C-N 3.3Å; A56-A58 PolarHBondContact O-N 2.77Å |
| 57 | G | 88.3 | Confident | 87.3 | Confident | 34 Ų | 34 | 50.4 Ų | 50.4 | 35% | 0.351 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.9 | -6.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115 | A55 C83 | A55-G57 PolarHBondContact O-N 3.2Å; G57-C83 VanDerWaalsContact CA-O 3.31Å; G57-C83 WeakPolarHBondContact CA-O 3.36Å; G57-C83 PolarHBondContact N-O 3.31Å |
| 58 | A | 90.5 | Very high | 87.3 | Confident | 33 Ų | 33 | 50.8 Ų | 50.8 | 27% | 0.273 | 28% | 0.283 | S | S | . | . | P | Polyproline II helix | trans | -78.9 | 134.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | A55 A56 C83 | A55-A58 WeakPolarHBondContact O-CB 3.4Å; A55-A58 PolarHBondContact O-N 3.26Å; A55-A58 VanDerWaalsContact O-N 3.15Å; A56-A58 VanDerWaalsContact C-N 3.3Å; A56-A58 PolarHBondContact O-N 2.77Å; A58-C83 PolarHBondContact O-N 3.42Å |
| 59 | L | 91.9 | Very high | 87 | Confident | 116 Ų | 116 | 55.4 Ų | 55.4 | 61% | 0.607 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 116.7 | 165.7 | -174 | 70.3 | 0 | 0 | 0 | 109.1 | Y80 E82 | L59-Y80 HydrophobicContact CD2-CD1 4.23Å; L59-Y80 HydrophobicContact CG-CD1 4.42Å; L59-E82 HydrophobicContact CD1-CB 4.09Å |
| 60 | V | 91.5 | Very high | 86.2 | Confident | 17 Ų | 17 | 58.5 Ų | 58.5 | 10% | 0.103 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 135.6 | -175 | -176.5 | 0 | 0 | 0 | 0 | 109.3 | W51 P52 S54 Y80 R81 W89 | W51-V60 HydrophobicContact CE3-CB 4.27Å; W51-V60 HydrophobicContact CE3-CG1 4.03Å; W51-V60 HydrophobicContact CZ3-CB 4.26Å; W51-V60 HydrophobicContact CZ3-CG1 4.18Å; W51-V60 WeakPolarHBondContact CZ3-O 3.45Å; P52-V60 HydrophobicContact CG-CG1 4.03Å; S54-V60 WeakPolarHBondContact OG-CG2 3.31Å; V60-Y80 CarbonylContact O-C 3.43Å; V60-Y80 VanDerWaalsContact O-CA 3.31Å; V60-Y80 WeakPolarHBondContact O-CA 3.41Å; V60-R81 PolarHBondContact N-O 3.42Å; V60-R81 PolarHBondContact O-N 3.03Å; V60-W89 HydrophobicContact CB-CH2 4.32Å; V60-W89 HydrophobicContact CB-CZ3 4.23Å; V60-W89 HydrophobicContact CG2-CH2 3.82Å; V60-W89 HydrophobicContact CG2-CZ3 3.84Å |
| 61 | E | 91.6 | Very high | 85.5 | Confident | 112 Ų | 112 | 60.9 Ų | 60.9 | 52% | 0.523 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 142.4 | 175.1 | 63.9 | 177 | -179.7 | 0 | 0 | 111.6 | N78 A79 Y80 | E61-N78 HydrophobicContact CB-CB 4.2Å; E61-N78 PolarHBondContact OE2-ND2 3.31Å; E61-A79 WeakPolarHBondContact CA-O 3.28Å; E61-Y80 HydrophobicContact CB-CD1 3.89Å; E61-Y80 HydrophobicContact CB-CE1 3.87Å |
| 62 | R | 89.8 | Confident | 85.1 | Confident | 43 Ų | 43 | 65.1 Ų | 65.1 | 16% | 0.162 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 144.8 | 171.3 | -66.9 | -62.4 | -74.3 | 171 | 0.6 | 109.1 | E21 T49 C50 W51 N78 A79 | E21-R62 IonicContact OE1-CZ 3.94Å; E21-R62 IonicContact OE1-NH1 2.79Å; E21-R62 PolarHBondContact OE1-NH1 3.22Å; E21-R62 VanDerWaalsContact OE1-NH1 3.15Å; E21-R62 IonicContact OE1-NH2 2.68Å; E21-R62 PolarHBondContact OE1-NH2 3.19Å; E21-R62 IonicContact OE2-CZ 3.48Å; E21-R62 IonicContact OE2-NH1 3.64Å; E21-R62 PolarHBondContact OE2-NH1 2.91Å; E21-R62 IonicContact OE2-NH2 3.56Å; T49-R62 HydrophobicContact CG2-CB 3.91Å; T49-R62 HydrophobicContact CG2-CG 4.27Å; C50-R62 PolarHBondContact O-NE 3.34Å; C50-R62 VanDerWaalsContact O-NE 3.12Å; W51-R62 HydrophobicContact CE3-CG 3.99Å; W51-R62 HydrophobicContact CH2-CB 4.36Å; W51-R62 HydrophobicContact CH2-CG 4.32Å; W51-R62 HydrophobicContact CZ3-CB 4.36Å; W51-R62 HydrophobicContact CZ3-CG 3.87Å; R62-N78 CarbonylContact O-C 3.6Å; R62-N78 VanDerWaalsContact O-CA 3.23Å; R62-N78 WeakPolarHBondContact O-CA 3.47Å; R62-N78 WeakPolarHBondContact O-CB 3.43Å; R62-A79 PolarHBondContact N-O 3.37Å; R62-A79 PolarHBondContact O-N 3.33Å |
| 63 | P | 89.2 | Confident | 84.7 | Confident | 69 Ų | 69 | 66 Ų | 66 | 45% | 0.448 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.8 | 147.1 | 174.5 | 25.5 | -33.5 | 0 | 0 | 0 | 110.5 | ||
| 64 | C | 89.1 | Confident | 84.4 | Confident | 4 Ų | 4 | 62.1 Ų | 62.1 | 3% | 0.027 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -57 | 144.2 | 174.3 | -64.4 | 0 | 0 | 0 | 0 | 110.9 | R77 C98 | C64-R77 PolarHBondContact N-O 3.5Å; C64-R77 PolarHBondContact SG-O 2.96Å; C64-C98 HydrophobicContact CB-CB 3.73Å; C64-C98 WeakPolarHBondContact CB-SG 3.47Å; C64-C98 WeakPolarHBondContact SG-CA 3.18Å; C64-C98 WeakPolarHBondContact SG-CB 3.38Å; C64-C98 CovalentContact SG-SG 2.02Å; C64-C98 PolarHBondContact SG-SG 3.26Å |
| 65 | P | 86.1 | Confident | 84.3 | Confident | 25 Ų | 25 | 64.8 Ų | 64.8 | 16% | 0.162 | 37% | 0.367 | C | S | . | . | P | Polyproline II helix | trans | -60.2 | 141 | 178 | 26.4 | -35.3 | 0 | 0 | 0 | 110.3 | I47 Y73 | I47-P65 HydrophobicContact CG2-CB 4.28Å; I47-P65 HydrophobicContact CG2-CG 3.8Å; P65-Y73 VanDerWaalsContact O-CB 3.27Å; P65-Y73 WeakPolarHBondContact O-CB 3.49Å |
| 66 | E | 83.3 | Confident | 84.3 | Confident | 103 Ų | 103 | 68.2 Ų | 68.2 | 48% | 0.481 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -68.9 | -37.3 | -179.2 | -166.1 | -174.2 | 169.2 | 0 | 0 | 111.8 | K72 Y73 T75 | E66-K72 CarbonylContact O-C 3.15Å; E66-K72 VanDerWaalsContact O-CA 3.31Å; E66-K72 WeakPolarHBondContact O-CA 3.32Å; E66-K72 IonicContact OE1-NZ 2.66Å; E66-Y73 PolarHBondContact O-N 3.03Å; E66-T75 HydrophobicContact CB-CG2 3.98Å; E66-T75 HydrophobicContact CG-CG2 4.11Å |
| 67 | Y | 79.2 | Confident | 84.3 | Confident | 129 Ų | 129 | 71.8 Ų | 71.8 | 51% | 0.506 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 135.8 | 177.6 | -65.5 | -86.5 | 0 | 0 | 0 | 110.9 | V71 K72 | Y67-V71 WeakPolarHBondContact CA-O 3.36Å; Y67-K72 HydrophobicContact CD1-CB 4.07Å; Y67-K72 HydrophobicContact CD1-CG 4.31Å; Y67-K72 HydrophobicContact CE1-CB 3.71Å; Y67-K72 HydrophobicContact CE1-CD 4.07Å; Y67-K72 HydrophobicContact CE1-CG 3.76Å |
| 68 | F | 79.1 | Confident | 84.4 | Confident | 62 Ų | 62 | 72.2 Ų | 72.2 | 27% | 0.272 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 127.5 | 167.8 | 179.9 | -115.7 | 0 | 0 | 0 | 109.3 | I47 G70 V71 Y73 | I47-F68 HydrophobicContact CB-CD2 4.11Å; I47-F68 HydrophobicContact CB-CE2 3.99Å; I47-F68 HydrophobicContact CG1-CD2 4.21Å; I47-F68 HydrophobicContact CG1-CE1 4.45Å; I47-F68 HydrophobicContact CG1-CE2 3.7Å; I47-F68 HydrophobicContact CG1-CZ 3.83Å; I47-F68 HydrophobicContact CG2-CB 4.27Å; I47-F68 HydrophobicContact CG2-CD2 3.49Å; I47-F68 VanDerWaalsContact CG2-CD2 3.49Å; I47-F68 HydrophobicContact CG2-CE2 3.89Å; I47-F68 HydrophobicContact CG2-CG 3.88Å; F68-G70 PolarHBondContact O-N 3.02Å; F68-G70 VanDerWaalsContact O-N 3.16Å; F68-V71 PolarHBondContact N-O 3.47Å; F68-V71 PolarHBondContact O-N 3.32Å; F68-Y73 HydrophobicContact CB-CD2 4.35Å; F68-Y73 HydrophobicContact CB-CE2 3.91Å |
| 69 | N | 72.3 | Confident | 84.5 | Confident | 142 Ų | 142 | 70.6 Ų | 70.6 | 76% | 0.759 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.5 | 38.4 | -174.8 | -69 | -11.1 | 0 | 0 | 0 | 114.3 | V71 | N69-V71 PolarHBondContact O-N 3.27Š|
| 70 | G | 70 | Confident | 84.5 | Confident | 74 Ų | 74 | 68.5 Ų | 68.5 | 76% | 0.763 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.2 | -1.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | F68 | F68-G70 PolarHBondContact O-N 3.02Å; F68-G70 VanDerWaalsContact O-N 3.16Å |
| 71 | V | 72.3 | Confident | 84.5 | Confident | 66 Ų | 66 | 69.3 Ų | 69.3 | 40% | 0.4 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 131.8 | 175.5 | -177.5 | 0 | 0 | 0 | 0 | 109.4 | Y67 F68 N69 Y73 P100 | Y67-V71 WeakPolarHBondContact CA-O 3.36Å; F68-V71 PolarHBondContact N-O 3.47Å; F68-V71 PolarHBondContact O-N 3.32Å; N69-V71 PolarHBondContact O-N 3.27Å; V71-Y73 HydrophobicContact CB-CE2 3.96Å; V71-Y73 HydrophobicContact CG1-CD2 4.39Å; V71-Y73 HydrophobicContact CG1-CE2 3.95Å; V71-Y73 WeakPolarHBondContact O-CD2 3.27Å; V71-P100 HydrophobicContact CG1-CB 3.67Å |
| 72 | K | 80.4 | Confident | 84.5 | Confident | 88 Ų | 88 | 68.4 Ų | 68.4 | 38% | 0.383 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 134.8 | 176.4 | -165.1 | 174.8 | -173.4 | 168.5 | 0 | 110.7 | E66 Y67 P100 I101 | E66-K72 CarbonylContact O-C 3.15Å; E66-K72 VanDerWaalsContact O-CA 3.31Å; E66-K72 WeakPolarHBondContact O-CA 3.32Å; E66-K72 IonicContact OE1-NZ 2.66Å; Y67-K72 HydrophobicContact CD1-CB 4.07Å; Y67-K72 HydrophobicContact CD1-CG 4.31Å; Y67-K72 HydrophobicContact CE1-CB 3.71Å; Y67-K72 HydrophobicContact CE1-CD 4.07Å; Y67-K72 HydrophobicContact CE1-CG 3.76Å; K72-P100 CarbonylContact O-C 3.46Å; K72-I101 HydrophobicContact CG-CD1 4.38Å; K72-I101 PolarHBondContact O-N 3.01Å |
| 73 | Y | 81.5 | Confident | 84.6 | Confident | 50 Ų | 50 | 66.4 Ų | 66.4 | 20% | 0.196 | 35% | 0.347 | C | S | . | . | B | Isolated β-bridge | trans | -115.8 | 157.2 | -179.9 | -76.7 | -103.9 | 0 | 0 | 0 | 112.3 | P65 E66 F68 V71 T75 C98 P100 I101 | P65-Y73 VanDerWaalsContact O-CB 3.27Å; P65-Y73 WeakPolarHBondContact O-CB 3.49Å; E66-Y73 PolarHBondContact O-N 3.03Å; F68-Y73 HydrophobicContact CB-CD2 4.35Å; F68-Y73 HydrophobicContact CB-CE2 3.91Å; V71-Y73 HydrophobicContact CB-CE2 3.96Å; V71-Y73 HydrophobicContact CG1-CD2 4.39Å; V71-Y73 HydrophobicContact CG1-CE2 3.95Å; V71-Y73 WeakPolarHBondContact O-CD2 3.27Å; Y73-T75 PolarHBondContact O-N 3.24Å; Y73-C98 HydrophobicContact CD1-CB 4.3Å; Y73-P100 HydrophobicContact CD1-CB 4.2Å; Y73-P100 HydrophobicContact CE1-CB 4Å; Y73-P100 HydrophobicContact CE1-CG 4.38Å; Y73-I101 WeakPolarHBondContact O-CD1 3.48Å |
| 74 | N | 82.4 | Confident | 84.7 | Confident | 52 Ų | 52 | 66 Ų | 66 | 28% | 0.278 | 34% | 0.341 | S | S | . | . | trans | -77.3 | 108.7 | 178.3 | -170.6 | -10.8 | 0 | 0 | 0 | 110.5 | T76 E99 I101 | N74-T76 PolarHBondContact O-N 2.95Å; N74-T76 WeakPolarHBondContact OD1-CB 3.35Å; N74-T76 PolarHBondContact OD1-N 3.5Å; N74-T76 PolarHBondContact OD1-OG1 3.46Å; N74-E99 PolarHBondContact N-O 3.28Å; N74-I101 HydrophobicContact CB-CD1 4.24Å; N74-I101 HydrophobicContact CB-CG1 3.85Å | ||
| 75 | T | 85.6 | Confident | 84.7 | Confident | 71 Ų | 71 | 72.6 Ų | 72.6 | 44% | 0.436 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -2.8 | 179.9 | 57.2 | 0 | 0 | 0 | 0 | 113.8 | E66 Y73 R77 | E66-T75 HydrophobicContact CB-CG2 3.98Å; E66-T75 HydrophobicContact CG-CG2 4.11Å; Y73-T75 PolarHBondContact O-N 3.24Å; T75-R77 PolarHBondContact O-N 3.41Å |
| 76 | T | 87.1 | Confident | 84.8 | Confident | 117 Ų | 117 | 76.5 Ų | 76.5 | 72% | 0.718 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -19.4 | 178.4 | -44.9 | 0 | 0 | 0 | 0 | 112.5 | N74 | N74-T76 PolarHBondContact O-N 2.95Å; N74-T76 WeakPolarHBondContact OD1-CB 3.35Å; N74-T76 PolarHBondContact OD1-N 3.5Å; N74-T76 PolarHBondContact OD1-OG1 3.46Å |
| 77 | R | 88.7 | Confident | 84.8 | Confident | 100 Ų | 100 | 72.4 Ų | 72.4 | 38% | 0.377 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -107.1 | 162.6 | 179.3 | -65.9 | -170.9 | -179.7 | -168.5 | 25.6 | 110.9 | C64 T75 Q97 | C64-R77 PolarHBondContact N-O 3.5Å; C64-R77 PolarHBondContact SG-O 2.96Å; T75-R77 PolarHBondContact O-N 3.41Å; R77-Q97 HydrophobicContact CB-CB 4.04Å; R77-Q97 WeakPolarHBondContact CB-O 3.13Å; R77-Q97 WeakPolarHBondContact CD-O 3.29Å |
| 78 | N | 91.8 | Very high | 85.3 | Confident | 43 Ų | 43 | 69.5 Ų | 69.5 | 23% | 0.23 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 147.2 | -175.8 | -62.3 | -13 | 0 | 0 | 0 | 111.8 | E61 R62 Y80 Q97 | E61-N78 HydrophobicContact CB-CB 4.2Å; E61-N78 PolarHBondContact OE2-ND2 3.31Å; R62-N78 CarbonylContact O-C 3.6Å; R62-N78 VanDerWaalsContact O-CA 3.23Å; R62-N78 WeakPolarHBondContact O-CA 3.47Å; R62-N78 WeakPolarHBondContact O-CB 3.43Å; N78-Y80 HydrophobicContact CB-CE2 4.44Å; N78-Y80 VanDerWaalsContact O-CE2 3.27Å; N78-Y80 WeakPolarHBondContact O-CE2 3.46Å; N78-Q97 WeakPolarHBondContact O-CB 3.4Å |
| 79 | A | 91.4 | Very high | 85.8 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 149.6 | 163.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | W51 E61 R62 N94 Y95 | W51-A79 HydrophobicContact CH2-CB 4.4Å; E61-A79 WeakPolarHBondContact CA-O 3.28Å; R62-A79 PolarHBondContact N-O 3.37Å; R62-A79 PolarHBondContact O-N 3.33Å; A79-N94 WeakPolarHBondContact CA-O 3.41Å; A79-Y95 HydrophobicContact CB-CD1 3.5Å; A79-Y95 HydrophobicContact CB-CE1 3.4Å; A79-Y95 VanDerWaalsContact CB-CE1 3.4Å; A79-Y95 HydrophobicContact CB-CG 4.26Å |
| 80 | Y | 92.4 | Very high | 86.6 | Confident | 71 Ų | 71 | 61.8 Ų | 61.8 | 28% | 0.278 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 139.8 | -176 | -53.3 | -94.2 | 0 | 0 | 0 | 112 | L59 V60 E61 N78 N94 Q97 | L59-Y80 HydrophobicContact CD2-CD1 4.23Å; L59-Y80 HydrophobicContact CG-CD1 4.42Å; V60-Y80 CarbonylContact O-C 3.43Å; V60-Y80 VanDerWaalsContact O-CA 3.31Å; V60-Y80 WeakPolarHBondContact O-CA 3.41Å; E61-Y80 HydrophobicContact CB-CD1 3.89Å; E61-Y80 HydrophobicContact CB-CE1 3.87Å; N78-Y80 HydrophobicContact CB-CE2 4.44Å; N78-Y80 VanDerWaalsContact O-CE2 3.27Å; N78-Y80 WeakPolarHBondContact O-CE2 3.46Å; Y80-N94 PolarHBondContact N-O 3.49Å; Y80-N94 PolarHBondContact O-N 2.82Å; Y80-Q97 HydrophobicContact CE2-CG 4.28Å |
| 81 | R | 91.9 | Very high | 87.4 | Confident | 34 Ų | 34 | 64.5 Ų | 64.5 | 13% | 0.128 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 135 | 172.9 | -164.3 | 177.7 | -171.9 | -170.3 | -5.9 | 110.2 | T43 W51 V60 W89 I93 | T43-R81 PolarHBondContact OG1-NH1 3.28Å; W51-R81 HydrophobicContact CD2-CB 3.88Å; W51-R81 HydrophobicContact CD2-CG 4.38Å; W51-R81 HydrophobicContact CE3-CB 3.5Å; W51-R81 HydrophobicContact CE3-CG 4.4Å; W51-R81 HydrophobicContact CH2-CB 3.42Å; W51-R81 VanDerWaalsContact CH2-CB 3.42Å; W51-R81 HydrophobicContact CZ2-CB 3.78Å; W51-R81 HydrophobicContact CZ3-CB 3.26Å; V60-R81 PolarHBondContact N-O 3.42Å; V60-R81 PolarHBondContact O-N 3.03Å; R81-W89 HydrophobicContact CB-CE3 4.36Å; R81-W89 HydrophobicContact CB-CZ3 4.38Å; R81-W89 HydrophobicContact CG-CE3 3.78Å; R81-W89 HydrophobicContact CG-CZ3 4.29Å; R81-W89 VanDerWaalsContact NH2-CB 3.32Å; R81-I93 HydrophobicContact CB-CG2 4.33Å; R81-I93 HydrophobicContact CG-CG1 4.05Å |
| 82 | E | 92 | Very high | 88.1 | Confident | 94 Ų | 94 | 70.2 Ų | 70.2 | 44% | 0.439 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 135.2 | -178.9 | -172.7 | 179.2 | 178 | 0 | 0 | 110.6 | L59 A90 | L59-E82 HydrophobicContact CD1-CB 4.09Å; E82-A90 HydrophobicContact CB-CB 4.18Å; E82-A90 WeakPolarHBondContact O-CB 3.15Å; E82-A90 PolarHBondContact O-N 2.95Å |
| 83 | C | 91.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 35% | 0.351 | C | S | . | . | B | Isolated β-bridge | trans | -87.6 | 111.5 | 165.2 | 179.7 | 0 | 0 | 0 | 0 | 108.7 | C40 A55 G57 A58 W89 | C40-C83 HydrophobicContact CB-CB 3.84Å; C40-C83 WeakPolarHBondContact CB-SG 3.41Å; C40-C83 PolarHBondContact N-SG 2.83Å; C40-C83 VanDerWaalsContact N-SG 3.37Å; C40-C83 WeakPolarHBondContact SG-CA 2.98Å; C40-C83 WeakPolarHBondContact SG-CB 3.47Å; C40-C83 CovalentContact SG-SG 2.02Å; C40-C83 PolarHBondContact SG-SG 3.15Å; A55-C83 WeakPolarHBondContact O-CB 3.06Å; A55-C83 PolarHBondContact O-SG 3Å; G57-C83 VanDerWaalsContact CA-O 3.31Å; G57-C83 WeakPolarHBondContact CA-O 3.36Å; G57-C83 PolarHBondContact N-O 3.31Å; A58-C83 PolarHBondContact O-N 3.42Å; C83-W89 HydrophobicContact CB-CE3 4.18Å; C83-W89 HydrophobicContact CB-CZ3 4.11Å |
| 84 | L | 90.6 | Very high | 88.9 | Confident | 62 Ų | 62 | 69.1 Ų | 69.1 | 33% | 0.325 | 36% | 0.361 | S | S | . | . | trans | -67 | 155 | -178.3 | -60.4 | 171 | 0 | 0 | 0 | 110.7 | N86 G87 T88 A90 | L84-N86 VanDerWaalsContact CB-OD1 3.3Å; L84-N86 WeakPolarHBondContact CB-OD1 3.38Å; L84-N86 PolarHBondContact O-N 2.82Å; L84-G87 PolarHBondContact O-N 3.07Å; L84-T88 VanDerWaalsContact CB-O 3.23Å; L84-T88 WeakPolarHBondContact CB-O 3.36Å; L84-T88 WeakPolarHBondContact CG-O 3.49Å; L84-T88 PolarHBondContact N-O 2.99Å; L84-A90 HydrophobicContact CD2-CB 4.38Å; L84-A90 HydrophobicContact CG-CB 4.38Å | ||
| 85 | E | 88.4 | Confident | 89.2 | Confident | 142 Ų | 142 | 68.9 Ų | 68.9 | 66% | 0.664 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -23.8 | 179.7 | -68 | -66.2 | 166.6 | 0 | 0 | 113.9 | S38 G87 | S38-E85 WeakPolarHBondContact CB-O 3.43Å; S38-E85 PolarHBondContact OG-O 3.32Å; E85-G87 VanDerWaalsContact C-N 3.27Å; E85-G87 PolarHBondContact O-N 3.27Å |
| 86 | N | 88.1 | Confident | 89.3 | Confident | 107 Ų | 107 | 69.3 Ų | 69.3 | 57% | 0.572 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | 1.5 | 177.2 | 70.9 | -7 | 0 | 0 | 0 | 114.4 | L84 T88 | L84-N86 VanDerWaalsContact CB-OD1 3.3Å; L84-N86 WeakPolarHBondContact CB-OD1 3.38Å; L84-N86 PolarHBondContact O-N 2.82Å; N86-T88 PolarHBondContact ND2-OG1 3.29Å; N86-T88 WeakPolarHBondContact OD1-CB 3.44Å; N86-T88 PolarHBondContact OD1-N 2.91Å; N86-T88 PolarHBondContact OD1-OG1 2.98Å |
| 87 | G | 84.2 | Confident | 89.3 | Confident | 17 Ų | 17 | 67.1 Ų | 67.1 | 18% | 0.175 | 35% | 0.345 | C | S | . | . | S | Bend | trans | 80.4 | 15.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | C40 L84 E85 | C40-G87 VanDerWaalsContact SG-C 3.54Å; L84-G87 PolarHBondContact O-N 3.07Å; E85-G87 VanDerWaalsContact C-N 3.27Å; E85-G87 PolarHBondContact O-N 3.27Å |
| 88 | T | 90 | Very high | 89.1 | Confident | 67 Ų | 67 | 63.1 Ų | 63.1 | 41% | 0.411 | 33% | 0.332 | S | S | . | . | trans | -111.4 | 143.7 | 174.7 | 65.3 | 0 | 0 | 0 | 0 | 111 | C40 L84 N86 | C40-T88 PolarHBondContact SG-O 2.86Å; L84-T88 VanDerWaalsContact CB-O 3.23Å; L84-T88 WeakPolarHBondContact CB-O 3.36Å; L84-T88 WeakPolarHBondContact CG-O 3.49Å; L84-T88 PolarHBondContact N-O 2.99Å; N86-T88 PolarHBondContact ND2-OG1 3.29Å; N86-T88 WeakPolarHBondContact OD1-CB 3.44Å; N86-T88 PolarHBondContact OD1-N 2.91Å; N86-T88 PolarHBondContact OD1-OG1 2.98Å | ||
| 89 | W | 89.3 | Confident | 88.7 | Confident | 28 Ų | 28 | 65.8 Ų | 65.8 | 11% | 0.106 | 34% | 0.343 | C | S | . | . | B | Isolated β-bridge | trans | -66.8 | 141.7 | 173.5 | -70.7 | 108.3 | 0 | 0 | 0 | 111.4 | C40 N41 T43 W51 P52 V60 R81 C83 S91 | C40-W89 HydrophobicContact CB-CD2 3.74Å; C40-W89 VanDerWaalsContact CB-CE2 3.4Å; C40-W89 HydrophobicContact CB-CE3 4.32Å; C40-W89 HydrophobicContact CB-CG 4.08Å; C40-W89 HydrophobicContact CB-CH2 4.37Å; C40-W89 HydrophobicContact CB-CZ2 3.75Å; N41-W89 PolarHBondContact O-NE1 2.92Å; T43-W89 PolarHBondContact OG1-NE1 3.45Å; W51-W89 HydrophobicContact CB-CH2 4.22Å; W51-W89 HydrophobicContact CB-CZ2 3.96Å; P52-W89 WeakPolarHBondContact O-CH2 3.46Å; P52-W89 WeakPolarHBondContact O-CZ2 3.35Å; V60-W89 HydrophobicContact CB-CH2 4.32Å; V60-W89 HydrophobicContact CB-CZ3 4.23Å; V60-W89 HydrophobicContact CG2-CH2 3.82Å; V60-W89 HydrophobicContact CG2-CZ3 3.84Å; R81-W89 HydrophobicContact CB-CE3 4.36Å; R81-W89 HydrophobicContact CB-CZ3 4.38Å; R81-W89 HydrophobicContact CG-CE3 3.78Å; R81-W89 HydrophobicContact CG-CZ3 4.29Å; R81-W89 VanDerWaalsContact NH2-CB 3.32Å; C83-W89 HydrophobicContact CB-CE3 4.18Å; C83-W89 HydrophobicContact CB-CZ3 4.11Å; W89-S91 PolarHBondContact O-N 3.4Å |
| 90 | A | 89.8 | Confident | 88.1 | Confident | 15 Ų | 15 | 68.3 Ų | 68.3 | 12% | 0.124 | 36% | 0.359 | C | S | . | . | trans | -55 | 136.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | E82 L84 K92 | E82-A90 HydrophobicContact CB-CB 4.18Å; E82-A90 WeakPolarHBondContact O-CB 3.15Å; E82-A90 PolarHBondContact O-N 2.95Å; L84-A90 HydrophobicContact CD2-CB 4.38Å; L84-A90 HydrophobicContact CG-CB 4.38Å; A90-K92 PolarHBondContact O-N 2.99Å | ||
| 91 | S | 86.7 | Confident | 87.3 | Confident | 131 Ų | 131 | 68.2 Ų | 68.2 | 92% | 0.916 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -66.5 | -23.5 | -179 | -178.9 | 0 | 0 | 0 | 0 | 113 | W89 | W89-S91 PolarHBondContact O-N 3.4Š|
| 92 | K | 86.2 | Confident | 86 | Confident | 185 Ų | 185 | 71.2 Ų | 71.2 | 80% | 0.804 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -108.2 | 125.1 | -179.5 | -170.9 | 176.4 | -179 | -179.4 | 0 | 109.7 | A90 | A90-K92 PolarHBondContact O-N 2.99Š|
| 93 | I | 89.5 | Confident | 84.8 | Confident | 37 Ų | 37 | 72 Ų | 72 | 19% | 0.19 | 39% | 0.388 | C | S | . | . | trans | -98.6 | 136 | 175.9 | -52.4 | 172.6 | 0 | 0 | 0 | 108.3 | D45 W51 R81 Y95 | D45-I93 HydrophobicContact CB-CD1 3.78Å; D45-I93 WeakPolarHBondContact OD2-CD1 3.43Å; W51-I93 HydrophobicContact CH2-CG2 4.05Å; W51-I93 HydrophobicContact CZ2-CG2 3.5Å; W51-I93 VanDerWaalsContact CZ2-CG2 3.5Å; R81-I93 HydrophobicContact CB-CG2 4.33Å; R81-I93 HydrophobicContact CG-CG1 4.05Å; I93-Y95 HydrophobicContact CB-CD2 3.9Å; I93-Y95 HydrophobicContact CB-CE2 3.66Å; I93-Y95 HydrophobicContact CD1-CE2 4.16Å; I93-Y95 HydrophobicContact CG2-CD2 3.61Å; I93-Y95 HydrophobicContact CG2-CE2 3.23Å; I93-Y95 PolarHBondContact O-N 3.3Å | ||
| 94 | N | 90 | Very high | 83.8 | Confident | 78 Ų | 78 | 76.1 Ų | 76.1 | 42% | 0.417 | 41% | 0.41 | S | S | . | . | B | Isolated β-bridge | trans | -90.9 | 93.8 | -180 | -171.4 | -1.3 | 0 | 0 | 0 | 111 | A79 Y80 S96 | A79-N94 WeakPolarHBondContact CA-O 3.41Å; Y80-N94 PolarHBondContact N-O 3.49Å; Y80-N94 PolarHBondContact O-N 2.82Å; N94-S96 WeakPolarHBondContact OD1-CB 3.45Å; N94-S96 PolarHBondContact OD1-N 3.01Å; N94-S96 VanDerWaalsContact OD1-N 3.09Å; N94-S96 PolarHBondContact OD1-OG 2.71Å |
| 95 | Y | 87.6 | Confident | 82.8 | Confident | 48 Ų | 48 | 78 Ų | 78 | 19% | 0.188 | 42% | 0.416 | C | S | . | . | trans | -94.7 | 12.5 | 173.2 | -77.5 | -76.2 | 0 | 0 | 0 | 113.5 | D45 I47 T49 A79 I93 Q97 C98 | D45-Y95 PolarHBondContact OD2-OH 3.14Å; I47-Y95 HydrophobicContact CD1-CD2 4.27Å; I47-Y95 HydrophobicContact CD1-CE2 3.89Å; T49-Y95 VanDerWaalsContact CB-OH 3.23Å; T49-Y95 WeakPolarHBondContact CB-OH 3.42Å; T49-Y95 PolarHBondContact OG1-OH 2.91Å; A79-Y95 HydrophobicContact CB-CD1 3.5Å; A79-Y95 HydrophobicContact CB-CE1 3.4Å; A79-Y95 VanDerWaalsContact CB-CE1 3.4Å; A79-Y95 HydrophobicContact CB-CG 4.26Å; I93-Y95 HydrophobicContact CB-CD2 3.9Å; I93-Y95 HydrophobicContact CB-CE2 3.66Å; I93-Y95 HydrophobicContact CD1-CE2 4.16Å; I93-Y95 HydrophobicContact CG2-CD2 3.61Å; I93-Y95 HydrophobicContact CG2-CE2 3.23Å; I93-Y95 PolarHBondContact O-N 3.3Å; Y95-Q97 PolarHBondContact O-N 3.38Å; Y95-C98 HydrophobicContact CD1-CB 4.31Å; Y95-C98 WeakPolarHBondContact O-CB 3.32Å; Y95-C98 PolarHBondContact O-N 2.92Å | ||
| 96 | S | 87.4 | Confident | 81.9 | Confident | 80 Ų | 80 | 76.2 Ų | 76.2 | 56% | 0.559 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -20.1 | -173.7 | 60.1 | 0 | 0 | 0 | 0 | 114.8 | N94 | N94-S96 WeakPolarHBondContact OD1-CB 3.45Å; N94-S96 PolarHBondContact OD1-N 3.01Å; N94-S96 VanDerWaalsContact OD1-N 3.09Å; N94-S96 PolarHBondContact OD1-OG 2.71Å |
| 97 | Q | 87 | Confident | 81.3 | Confident | 71 Ų | 71 | 78.4 Ų | 78.4 | 33% | 0.332 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -10.6 | 177.8 | -62.9 | -68.8 | -37.4 | 0 | 0 | 112.8 | R77 N78 Y80 Y95 E99 | R77-Q97 HydrophobicContact CB-CB 4.04Å; R77-Q97 WeakPolarHBondContact CB-O 3.13Å; R77-Q97 WeakPolarHBondContact CD-O 3.29Å; N78-Q97 WeakPolarHBondContact O-CB 3.4Å; Y80-Q97 HydrophobicContact CE2-CG 4.28Å; Y95-Q97 PolarHBondContact O-N 3.38Å; Q97-E99 PolarHBondContact O-N 3.07Å |
| 98 | C | 85.2 | Confident | 81 | Confident | 16 Ų | 16 | 83.1 Ų | 83.1 | 11% | 0.108 | 42% | 0.423 | C | S | . | . | trans | -86.4 | 91.5 | -178.9 | -59 | 0 | 0 | 0 | 0 | 110.1 | C64 Y73 Y95 | C64-C98 HydrophobicContact CB-CB 3.73Å; C64-C98 WeakPolarHBondContact CB-SG 3.47Å; C64-C98 WeakPolarHBondContact SG-CA 3.18Å; C64-C98 WeakPolarHBondContact SG-CB 3.38Å; C64-C98 CovalentContact SG-SG 2.02Å; C64-C98 PolarHBondContact SG-SG 3.26Å; Y73-C98 HydrophobicContact CD1-CB 4.3Å; Y95-C98 HydrophobicContact CD1-CB 4.31Å; Y95-C98 WeakPolarHBondContact O-CB 3.32Å; Y95-C98 PolarHBondContact O-N 2.92Å | ||
| 99 | E | 82.8 | Confident | 80.5 | Confident | 99 Ų | 99 | 81.4 Ų | 81.4 | 46% | 0.463 | 41% | 0.409 | S | S | . | . | trans | -91.3 | 133.2 | 177.7 | -67.6 | 174.7 | 177.3 | 0 | 0 | 110.3 | N74 Q97 I101 | N74-E99 PolarHBondContact N-O 3.28Å; Q97-E99 PolarHBondContact O-N 3.07Å; E99-I101 PolarHBondContact O-N 3.41Å | ||
| 100 | P | 79.1 | Confident | 80 | Confident | 52 Ų | 52 | 83.2 Ų | 83.2 | 34% | 0.338 | 42% | 0.421 | S | S | . | . | B | Isolated β-bridge | trans | -64 | 135.6 | 173.1 | 26.3 | -32.4 | 0 | 0 | 0 | 109.8 | V71 K72 Y73 L102 | V71-P100 HydrophobicContact CG1-CB 3.67Å; K72-P100 CarbonylContact O-C 3.46Å; Y73-P100 HydrophobicContact CD1-CB 4.2Å; Y73-P100 HydrophobicContact CE1-CB 4Å; Y73-P100 HydrophobicContact CE1-CG 4.38Å; P100-L102 HydrophobicContact CB-CD1 3.76Å; P100-L102 HydrophobicContact CG-CD1 3.5Å; P100-L102 PolarHBondContact O-N 3.47Å |
| 101 | I | 75.3 | Confident | 79.8 | Confident | 70 Ų | 70 | 87.4 Ų | 87.4 | 36% | 0.359 | 44% | 0.441 | S | S | . | . | trans | -76 | 81.8 | 168 | -57 | 169.2 | 0 | 0 | 0 | 106 | K72 Y73 N74 E99 D103 | K72-I101 HydrophobicContact CG-CD1 4.38Å; K72-I101 PolarHBondContact O-N 3.01Å; Y73-I101 WeakPolarHBondContact O-CD1 3.48Å; N74-I101 HydrophobicContact CB-CD1 4.24Å; N74-I101 HydrophobicContact CB-CG1 3.85Å; E99-I101 PolarHBondContact O-N 3.41Å; I101-D103 PolarHBondContact O-N 2.98Å; I101-D103 VanDerWaalsContact O-N 3.15Å | ||
| 102 | L | 65.8 | Low | 79.8 | Confident | 97 Ų | 97 | 83.8 Ų | 83.8 | 51% | 0.508 | 41% | 0.41 | S | S | . | . | trans | -71.1 | 106.7 | 161 | -77.7 | 91 | 0 | 0 | 0 | 105.9 | P100 D104 | P100-L102 HydrophobicContact CB-CD1 3.76Å; P100-L102 HydrophobicContact CG-CD1 3.5Å; P100-L102 PolarHBondContact O-N 3.47Å; L102-D104 PolarHBondContact O-N 3.23Å | ||
| 103 | D | 66.6 | Low | 79.7 | Confident | 109 Ų | 109 | 82 Ų | 82 | 58% | 0.583 | 40% | 0.399 | S | S | * | . | trans | -48.3 | 122.9 | 166.9 | -75.5 | -28.5 | 0 | 0 | 0 | 107.4 | I101 K105 Q106 R107 | I101-D103 PolarHBondContact O-N 2.98Å; I101-D103 VanDerWaalsContact O-N 3.15Å; D103-K105 HydrophobicContact CB-CB 4.32Å; D103-K105 CarbonylContact O-C 3.56Å; D103-K105 PolarHBondContact O-N 2.89Å; D103-Q106 WeakPolarHBondContact O-CB 3.43Å; D103-Q106 PolarHBondContact O-N 3.24Å; D103-R107 PolarHBondContact O-N 2.79Å | ||
| 104 | D | 69.8 | Low | 79.6 | Confident | 88 Ų | 88 | 88.7 Ų | 88.7 | 47% | 0.471 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -52.8 | -25.3 | -178.8 | -123.1 | -11.6 | 0 | 0 | 0 | 111.1 | L102 R107 K108 | L102-D104 PolarHBondContact O-N 3.23Å; D104-R107 IonicContact OD1-CZ 3.53Å; D104-R107 IonicContact OD1-NE 2.93Å; D104-R107 IonicContact OD1-NH2 3.6Å; D104-R107 PolarHBondContact OD1-NH2 2.81Å; D104-K108 WeakPolarHBondContact O-CB 3.1Å; D104-K108 WeakPolarHBondContact O-CD 3.31Å; D104-K108 WeakPolarHBondContact O-CG 3.26Å; D104-K108 PolarHBondContact O-N 3.24Å; D104-K108 VanDerWaalsContact O-N 3.15Å |
| 105 | K | 69.6 | Low | 79.6 | Confident | 101 Ų | 101 | 88.3 Ų | 88.3 | 44% | 0.439 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -55.7 | -61.6 | 166.8 | -169.3 | 169.7 | 170.5 | 146.4 | 0 | 111.7 | D103 R107 K108 Y109 D334 | D103-K105 HydrophobicContact CB-CB 4.32Å; D103-K105 CarbonylContact O-C 3.56Å; D103-K105 PolarHBondContact O-N 2.89Å; K105-R107 VanDerWaalsContact C-N 3.33Å; K105-R107 PolarHBondContact O-N 3.41Å; K105-K108 WeakPolarHBondContact O-CB 3.38Å; K105-K108 PolarHBondContact O-N 3Å; K105-Y109 HydrophobicContact CD-CE2 4.25Å; K105-Y109 HydrophobicContact CG-CD2 3.71Å; K105-Y109 HydrophobicContact CG-CE2 3.51Å; K105-Y109 WeakPolarHBondContact O-CD2 3.09Å; K105-Y109 PolarHBondContact O-N 3.33Å; K105-D334 WeakPolarHBondContact CE-OD1 3.33Å; K105-D334 IonicContact NZ-OD1 2.84Å; K105-D334 PolarHBondContact NZ-OD1 3.5Å; K105-D334 IonicContact NZ-OD2 2.58Å; K105-D334 PolarHBondContact NZ-OD2 3.49Å |
| 106 | Q | 70.2 | Confident | 79.7 | Confident | 105 Ų | 105 | 86.1 Ų | 86.1 | 49% | 0.491 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -55.8 | -44.7 | -178.4 | -170.4 | 63.9 | 25.9 | 0 | 0 | 112.3 | D103 K108 Y109 D110 | D103-Q106 WeakPolarHBondContact O-CB 3.43Å; D103-Q106 PolarHBondContact O-N 3.24Å; Q106-K108 VanDerWaalsContact C-N 3.33Å; Q106-K108 PolarHBondContact O-N 3.01Å; Q106-Y109 PolarHBondContact O-N 3.37Å; Q106-D110 PolarHBondContact NE2-OD1 2.99Å; Q106-D110 PolarHBondContact O-N 3.39Å |
| 107 | R | 74.6 | Confident | 79.7 | Confident | 153 Ų | 153 | 85.5 Ų | 85.5 | 58% | 0.577 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -61.5 | -40.7 | 177.3 | -174.2 | 176.5 | 66.5 | 167.6 | -3.8 | 112.3 | D103 D104 K105 L111 | D103-R107 PolarHBondContact O-N 2.79Å; D104-R107 IonicContact OD1-CZ 3.53Å; D104-R107 IonicContact OD1-NE 2.93Å; D104-R107 IonicContact OD1-NH2 3.6Å; D104-R107 PolarHBondContact OD1-NH2 2.81Å; K105-R107 VanDerWaalsContact C-N 3.33Å; K105-R107 PolarHBondContact O-N 3.41Å; R107-L111 PolarHBondContact O-N 2.83Å; R107-L111 VanDerWaalsContact O-N 3.11Å |
| 108 | K | 78.2 | Confident | 79.9 | Confident | 116 Ų | 116 | 86.2 Ų | 86.2 | 50% | 0.504 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -64.7 | -44.1 | 174.5 | -74.4 | 168.8 | -174 | 171.6 | 0 | 111 | D104 K105 Q106 L111 H112 | D104-K108 WeakPolarHBondContact O-CB 3.1Å; D104-K108 WeakPolarHBondContact O-CD 3.31Å; D104-K108 WeakPolarHBondContact O-CG 3.26Å; D104-K108 PolarHBondContact O-N 3.24Å; D104-K108 VanDerWaalsContact O-N 3.15Å; K105-K108 WeakPolarHBondContact O-CB 3.38Å; K105-K108 PolarHBondContact O-N 3Å; Q106-K108 VanDerWaalsContact C-N 3.33Å; Q106-K108 PolarHBondContact O-N 3.01Å; K108-L111 PolarHBondContact O-N 3Å; K108-H112 PolarHBondContact O-CD2 2.9Å; K108-H112 PolarHBondContact O-N 3.43Å |
| 109 | Y | 79.1 | Confident | 80.2 | Confident | 30 Ų | 30 | 87.6 Ų | 87.6 | 12% | 0.118 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -60.5 | -46.2 | 176.5 | -86.9 | -81.5 | 0 | 0 | 0 | 112.3 | K105 Q106 L111 H112 Y113 D334 Q337 I338 | K105-Y109 HydrophobicContact CD-CE2 4.25Å; K105-Y109 HydrophobicContact CG-CD2 3.71Å; K105-Y109 HydrophobicContact CG-CE2 3.51Å; K105-Y109 WeakPolarHBondContact O-CD2 3.09Å; K105-Y109 PolarHBondContact O-N 3.33Å; Q106-Y109 PolarHBondContact O-N 3.37Å; Y109-L111 VanDerWaalsContact C-N 3.32Å; Y109-L111 PolarHBondContact O-N 2.89Å; Y109-H112 PolarHBondContact O-N 2.86Å; Y109-Y113 VanDerWaalsContact O-CB 3.28Å; Y109-Y113 WeakPolarHBondContact O-CB 3.44Å; Y109-Y113 PolarHBondContact O-N 3.11Å; Y109-D334 HydrophobicContact CE2-CB 4.24Å; Y109-D334 WeakPolarHBondContact CE2-OD1 3.2Å; Y109-D334 WeakPolarHBondContact OH-CA 3.31Å; Y109-D334 WeakPolarHBondContact OH-CB 3.39Å; Y109-D334 PolarHBondContact OH-OD1 2.95Å; Y109-Q337 HydrophobicContact CE1-CB 4.02Å; Y109-Q337 PolarHBondContact OH-OE1 3.48Å; Y109-Q337 VanDerWaalsContact OH-OE1 3.06Å; Y109-I338 HydrophobicContact CD1-CG1 4.43Å; Y109-I338 HydrophobicContact CE1-CG1 4.12Å |
| 110 | D | 79.7 | Confident | 80.5 | Confident | 67 Ų | 67 | 83.6 Ų | 83.6 | 36% | 0.358 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -61.3 | -40.5 | 177.3 | -74.6 | -8.8 | 0 | 0 | 0 | 111.9 | Q106 Y113 R114 | Q106-D110 PolarHBondContact NE2-OD1 2.99Å; Q106-D110 PolarHBondContact O-N 3.39Å; D110-Y113 PolarHBondContact O-N 2.94Å; D110-R114 WeakPolarHBondContact O-CB 3.42Å; D110-R114 WeakPolarHBondContact O-CG 3.21Å; D110-R114 PolarHBondContact O-N 3.23Å |
| 111 | L | 86.1 | Confident | 81.2 | Confident | 103 Ų | 103 | 86.9 Ų | 86.9 | 54% | 0.539 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.2 | -49.2 | 175 | 179.4 | 64.4 | 0 | 0 | 0 | 111.2 | R107 K108 Y109 Y113 R114 I115 | R107-L111 PolarHBondContact O-N 2.83Å; R107-L111 VanDerWaalsContact O-N 3.11Å; K108-L111 PolarHBondContact O-N 3Å; Y109-L111 VanDerWaalsContact C-N 3.32Å; Y109-L111 PolarHBondContact O-N 2.89Å; L111-Y113 VanDerWaalsContact C-N 3.3Å; L111-Y113 PolarHBondContact O-N 3.42Å; L111-R114 PolarHBondContact O-N 3.37Å; L111-I115 HydrophobicContact CD1-CD1 4.19Å; L111-I115 HydrophobicContact CD1-CG1 4.48Å; L111-I115 HydrophobicContact CG-CD1 4Å; L111-I115 VanDerWaalsContact O-CG1 3.27Å; L111-I115 WeakPolarHBondContact O-CG1 3.16Å; L111-I115 PolarHBondContact O-N 3.27Å |
| 112 | H | 86.6 | Confident | 82.1 | Confident | 55 Ų | 55 | 88.2 Ų | 88.2 | 26% | 0.255 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62.1 | -39 | 178.1 | -77.4 | -62.3 | 0 | 0 | 0 | 112.1 | K108 Y109 I115 A116 I338 Y342 | K108-H112 PolarHBondContact O-CD2 2.9Å; K108-H112 PolarHBondContact O-N 3.43Å; Y109-H112 PolarHBondContact O-N 2.86Å; H112-I115 PolarHBondContact O-N 3.34Å; H112-A116 WeakPolarHBondContact O-CB 3.18Å; H112-A116 PolarHBondContact O-N 2.97Å; H112-I338 HydrophobicContact CB-CG1 4.46Å; H112-I338 HydrophobicContact CB-CG2 4.22Å; H112-Y342 HydrophobicContact CB-CE2 4.31Å; H112-Y342 AromaticContact ND1-CE2 3.44Å; H112-Y342 WeakPolarHBondContact ND1-CE2 3.44Å; H112-Y342 AromaticContact ND1-CZ 3.63Å; H112-Y342 PolarHBondContact ND1-OH 2.84Å |
| 113 | Y | 84.1 | Confident | 83.4 | Confident | 148 Ų | 148 | 83.6 Ų | 83.6 | 58% | 0.58 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -63.1 | -46.6 | 175 | -178.6 | -100.5 | 0 | 0 | 0 | 111.9 | Y109 D110 L111 I115 A116 L117 | Y109-Y113 VanDerWaalsContact O-CB 3.28Å; Y109-Y113 WeakPolarHBondContact O-CB 3.44Å; Y109-Y113 PolarHBondContact O-N 3.11Å; D110-Y113 PolarHBondContact O-N 2.94Å; L111-Y113 VanDerWaalsContact C-N 3.3Å; L111-Y113 PolarHBondContact O-N 3.42Å; Y113-I115 PolarHBondContact O-N 2.99Å; Y113-A116 WeakPolarHBondContact O-CB 3.43Å; Y113-A116 PolarHBondContact O-N 2.96Å; Y113-L117 PolarHBondContact O-N 3.3Å |
| 114 | R | 87.7 | Confident | 84.7 | Confident | 177 Ų | 177 | 78.6 Ų | 78.6 | 67% | 0.668 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -60.2 | -43.4 | 175 | -74.7 | 178.8 | -166.9 | -94.7 | 0.7 | 112.1 | D110 L111 A116 L117 V118 | D110-R114 WeakPolarHBondContact O-CB 3.42Å; D110-R114 WeakPolarHBondContact O-CG 3.21Å; D110-R114 PolarHBondContact O-N 3.23Å; L111-R114 PolarHBondContact O-N 3.37Å; R114-A116 VanDerWaalsContact C-N 3.34Å; R114-L117 WeakPolarHBondContact O-CB 3.43Å; R114-L117 PolarHBondContact O-N 3.39Å; R114-V118 WeakPolarHBondContact O-CG2 3.34Å; R114-V118 PolarHBondContact O-N 3.09Å; R114-V118 VanDerWaalsContact O-N 3.09Å |
| 115 | I | 90.2 | Very high | 85.9 | Confident | 70 Ų | 70 | 76.7 Ų | 76.7 | 36% | 0.359 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63.6 | -43.1 | 176 | -62.8 | 165.2 | 0 | 0 | 0 | 110.2 | L111 H112 Y113 L117 V118 V119 Y342 | L111-I115 HydrophobicContact CD1-CD1 4.19Å; L111-I115 HydrophobicContact CD1-CG1 4.48Å; L111-I115 HydrophobicContact CG-CD1 4Å; L111-I115 VanDerWaalsContact O-CG1 3.27Å; L111-I115 WeakPolarHBondContact O-CG1 3.16Å; L111-I115 PolarHBondContact O-N 3.27Å; H112-I115 PolarHBondContact O-N 3.34Å; Y113-I115 PolarHBondContact O-N 2.99Å; I115-L117 VanDerWaalsContact C-N 3.3Å; I115-L117 PolarHBondContact O-N 3.35Å; I115-V118 PolarHBondContact O-N 3.07Å; I115-V119 WeakPolarHBondContact O-CG2 3.43Å; I115-V119 PolarHBondContact O-N 3.3Å; I115-Y342 HydrophobicContact CB-CE1 4.25Å; I115-Y342 WeakPolarHBondContact CB-OH 3.42Å; I115-Y342 HydrophobicContact CG2-CE1 3.8Å; I115-Y342 WeakPolarHBondContact CG2-OH 3.35Å |
| 116 | A | 88.1 | Confident | 87.1 | Confident | 2 Ų | 2 | 75 Ų | 75 | 2% | 0.017 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61.7 | -37.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | H112 Y113 R114 V119 N120 I341 Y342 | H112-A116 WeakPolarHBondContact O-CB 3.18Å; H112-A116 PolarHBondContact O-N 2.97Å; Y113-A116 WeakPolarHBondContact O-CB 3.43Å; Y113-A116 PolarHBondContact O-N 2.96Å; R114-A116 VanDerWaalsContact C-N 3.34Å; A116-V119 PolarHBondContact O-N 3.38Å; A116-N120 VanDerWaalsContact O-CB 3.25Å; A116-N120 WeakPolarHBondContact O-CB 3.18Å; A116-N120 PolarHBondContact O-N 3.44Å; A116-I341 HydrophobicContact CB-CG2 3.68Å; A116-Y342 HydrophobicContact CB-CD1 4.25Å; A116-Y342 HydrophobicContact CB-CE1 4.18Å |
| 117 | L | 87.9 | Confident | 88.3 | Confident | 66 Ų | 66 | 70 Ų | 70 | 35% | 0.346 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.7 | -43.2 | 174 | -174.9 | 66 | 0 | 0 | 0 | 111.8 | Y113 R114 I115 N120 Y121 | Y113-L117 PolarHBondContact O-N 3.3Å; R114-L117 WeakPolarHBondContact O-CB 3.43Å; R114-L117 PolarHBondContact O-N 3.39Å; I115-L117 VanDerWaalsContact C-N 3.3Å; I115-L117 PolarHBondContact O-N 3.35Å; L117-N120 PolarHBondContact O-N 3.28Å; L117-Y121 WeakPolarHBondContact O-CB 3.33Å; L117-Y121 PolarHBondContact O-N 2.71Å |
| 118 | V | 91 | Very high | 89.3 | Confident | 86 Ų | 86 | 64 Ų | 64 | 52% | 0.521 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.6 | -45.1 | 175.1 | 174.1 | 0 | 0 | 0 | 0 | 111.1 | R114 I115 N120 Y121 L122 | R114-V118 WeakPolarHBondContact O-CG2 3.34Å; R114-V118 PolarHBondContact O-N 3.09Å; R114-V118 VanDerWaalsContact O-N 3.09Å; I115-V118 PolarHBondContact O-N 3.07Å; V118-N120 VanDerWaalsContact C-N 3.31Å; V118-N120 PolarHBondContact O-N 3.16Å; V118-Y121 PolarHBondContact O-N 3.45Å; V118-L122 HydrophobicContact CG1-CD1 4.16Å; V118-L122 WeakPolarHBondContact O-CG 3.3Å; V118-L122 PolarHBondContact O-N 3.09Å |
| 119 | V | 91.1 | Very high | 90.2 | Very high | 45 Ų | 45 | 61.5 Ų | 61.5 | 27% | 0.273 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59.9 | -43.6 | 175.6 | 171.2 | 0 | 0 | 0 | 0 | 110.8 | I115 A116 L122 G123 | I115-V119 WeakPolarHBondContact O-CG2 3.43Å; I115-V119 PolarHBondContact O-N 3.3Å; A116-V119 PolarHBondContact O-N 3.38Å; V119-L122 PolarHBondContact O-N 3Å; V119-G123 PolarHBondContact O-N 3.46Å |
| 120 | N | 90.1 | Very high | 90.9 | Very high | 15 Ų | 15 | 60.8 Ų | 60.8 | 8% | 0.08 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.7 | -45 | 179 | -173.1 | -92.9 | 0 | 0 | 0 | 111.5 | A116 L117 V118 G123 H124 W166 S345 S349 | A116-N120 VanDerWaalsContact O-CB 3.25Å; A116-N120 WeakPolarHBondContact O-CB 3.18Å; A116-N120 PolarHBondContact O-N 3.44Å; L117-N120 PolarHBondContact O-N 3.28Å; V118-N120 VanDerWaalsContact C-N 3.31Å; V118-N120 PolarHBondContact O-N 3.16Å; N120-G123 PolarHBondContact O-N 3.1Å; N120-H124 PolarHBondContact O-CD2 2.89Å; N120-H124 PolarHBondContact O-N 3.04Å; N120-H124 PolarHBondContact OD1-CD2 3.37Å; N120-H124 PolarHBondContact OD1-NE2 3.29Å; N120-W166 WeakPolarHBondContact OD1-CZ2 3.27Å; N120-S345 PolarHBondContact ND2-O 2.81Å; N120-S349 WeakPolarHBondContact O-CB 3.3Å |
| 121 | Y | 92.5 | Very high | 91.7 | Very high | 121 Ų | 121 | 57.6 Ų | 57.6 | 48% | 0.475 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -57.5 | -53.1 | 174.9 | -177 | -88.2 | 0 | 0 | 0 | 111.9 | L117 V118 G123 H124 C125 W166 F167 | L117-Y121 WeakPolarHBondContact O-CB 3.33Å; L117-Y121 PolarHBondContact O-N 2.71Å; V118-Y121 PolarHBondContact O-N 3.45Å; Y121-G123 VanDerWaalsContact C-N 3.3Å; Y121-G123 PolarHBondContact O-N 2.66Å; Y121-H124 PolarHBondContact O-N 3.31Å; Y121-C125 VanDerWaalsContact CE1-SG 3.59Å; Y121-C125 PolarHBondContact O-N 3.16Å; Y121-C125 PolarHBondContact O-SG 2.65Å; Y121-W166 AromaticContact CD2-CH2 3.99Å; Y121-W166 HydrophobicContact CD2-CH2 3.99Å; Y121-W166 AromaticContact CD2-CZ3 3.92Å; Y121-W166 HydrophobicContact CD2-CZ3 3.92Å; Y121-W166 HydrophobicContact CG-CH2 4.45Å; Y121-F167 HydrophobicContact CD2-CD1 4.47Å; Y121-F167 AromaticContact CD2-CE1 3.96Å; Y121-F167 HydrophobicContact CD2-CE1 3.96Å; Y121-F167 HydrophobicContact CE2-CD1 4Å; Y121-F167 AromaticContact CE2-CE1 3.64Å; Y121-F167 HydrophobicContact CE2-CE1 3.64Å |
| 122 | L | 94.3 | Very high | 92.1 | Very high | 99 Ų | 99 | 55.6 Ų | 55.6 | 52% | 0.518 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -59.6 | -41.8 | 177.8 | -68.7 | 175.7 | 0 | 0 | 0 | 111.6 | V118 V119 C125 V126 | V118-L122 HydrophobicContact CG1-CD1 4.16Å; V118-L122 WeakPolarHBondContact O-CG 3.3Å; V118-L122 PolarHBondContact O-N 3.09Å; V119-L122 PolarHBondContact O-N 3Å; L122-C125 PolarHBondContact O-N 3.35Å; L122-V126 WeakPolarHBondContact O-CG2 3.49Å; L122-V126 PolarHBondContact O-N 3.4Å |
| 123 | G | 93.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.4 | -44.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | V119 N120 Y121 V126 S127 | V119-G123 PolarHBondContact O-N 3.46Å; N120-G123 PolarHBondContact O-N 3.1Å; Y121-G123 VanDerWaalsContact C-N 3.3Å; Y121-G123 PolarHBondContact O-N 2.66Å; G123-V126 PolarHBondContact O-N 3.44Å; G123-S127 WeakPolarHBondContact O-CB 3.34Å; G123-S127 PolarHBondContact O-N 3.42Å |
| 124 | H | 93.5 | Very high | 92.8 | Very high | 4 Ų | 4 | 48.1 Ų | 48.1 | 2% | 0.019 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.7 | -38.6 | 175.5 | -78.4 | -63.4 | 0 | 0 | 0 | 112.4 | N120 Y121 S127 V128 N163 W166 F167 | N120-H124 PolarHBondContact O-CD2 2.89Å; N120-H124 PolarHBondContact O-N 3.04Å; N120-H124 PolarHBondContact OD1-CD2 3.37Å; N120-H124 PolarHBondContact OD1-NE2 3.29Å; Y121-H124 PolarHBondContact O-N 3.31Å; H124-S127 PolarHBondContact O-N 2.96Å; H124-V128 WeakPolarHBondContact O-CG2 3.32Å; H124-V128 PolarHBondContact O-N 2.98Å; H124-N163 PolarHBondContact CE1-OD1 2.98Å; H124-N163 VanDerWaalsContact CE1-OD1 3.29Å; H124-N163 PolarHBondContact ND1-OD1 3.45Å; H124-W166 HydrophobicContact CB-CE3 4.01Å; H124-W166 HydrophobicContact CB-CZ3 4.04Å; H124-W166 AromaticContact CD2-CD2 3.65Å; H124-W166 AromaticContact CD2-CE2 3.79Å; H124-W166 AromaticContact CD2-CE3 3.69Å; H124-W166 AromaticContact CD2-CZ2 4Å; H124-W166 AromaticContact CD2-CZ3 3.86Å; H124-W166 AromaticContact CG-CE3 3.9Å; H124-F167 HydrophobicContact CB-CE2 4.24Å; H124-F167 HydrophobicContact CB-CZ 3.9Å |
| 125 | C | 95.4 | Very high | 93 | Very high | 48 Ų | 48 | 42.1 Ų | 42.1 | 32% | 0.324 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -59.9 | -51.1 | 174.5 | -67 | 0 | 0 | 0 | 0 | 111.7 | Y121 L122 S127 V128 A129 F167 | Y121-C125 VanDerWaalsContact CE1-SG 3.59Å; Y121-C125 PolarHBondContact O-N 3.16Å; Y121-C125 PolarHBondContact O-SG 2.65Å; L122-C125 PolarHBondContact O-N 3.35Å; C125-S127 VanDerWaalsContact C-N 3.31Å; C125-S127 PolarHBondContact O-N 2.92Å; C125-V128 PolarHBondContact O-N 3.4Å; C125-A129 PolarHBondContact O-N 2.91Å; C125-F167 HydrophobicContact CB-CZ 4.5Å; C125-F167 VanDerWaalsContact SG-CZ 3.6Å |
| 126 | V | 95.4 | Very high | 93.1 | Very high | 64 Ų | 64 | 43.7 Ų | 43.7 | 39% | 0.388 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.5 | -42.7 | 178.8 | 173.1 | 0 | 0 | 0 | 0 | 110.8 | L122 G123 A129 A130 F350 F353 | L122-V126 WeakPolarHBondContact O-CG2 3.49Å; L122-V126 PolarHBondContact O-N 3.4Å; G123-V126 PolarHBondContact O-N 3.44Å; V126-A129 PolarHBondContact O-N 3.45Å; V126-A130 WeakPolarHBondContact O-CB 3.36Å; V126-A130 PolarHBondContact O-N 3.05Å; V126-F350 HydrophobicContact CB-CE1 4.23Å; V126-F350 HydrophobicContact CG1-CE1 4.13Å; V126-F353 HydrophobicContact CG1-CD2 3.81Å; V126-F353 HydrophobicContact CG1-CE2 4.22Å; V126-F353 HydrophobicContact CG1-CG 4.31Å |
| 127 | S | 95.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.1 | -49.7 | 177.8 | -169.5 | 0 | 0 | 0 | 0 | 111.8 | G123 H124 C125 A130 L131 N163 S349 G352 F353 | G123-S127 WeakPolarHBondContact O-CB 3.34Å; G123-S127 PolarHBondContact O-N 3.42Å; H124-S127 PolarHBondContact O-N 2.96Å; C125-S127 VanDerWaalsContact C-N 3.31Å; C125-S127 PolarHBondContact O-N 2.92Å; S127-A130 PolarHBondContact O-N 3.29Å; S127-L131 WeakPolarHBondContact O-CB 3.46Å; S127-L131 WeakPolarHBondContact O-CD1 3.21Å; S127-L131 WeakPolarHBondContact O-CG 3.11Å; S127-L131 PolarHBondContact O-N 3.42Å; S127-N163 PolarHBondContact OG-ND2 3.33Å; S127-S349 VanDerWaalsContact CB-O 3.31Å; S127-S349 WeakPolarHBondContact CB-O 3.02Å; S127-S349 PolarHBondContact OG-O 2.93Å; S127-G352 VanDerWaalsContact OG-CA 3.29Å; S127-G352 WeakPolarHBondContact OG-CA 2.92Å; S127-F353 PolarHBondContact OG-N 3.49Å; S127-F353 VanDerWaalsContact OG-N 3.16Å |
| 128 | V | 95.4 | Very high | 93.1 | Very high | 28 Ų | 28 | 43.5 Ų | 43.5 | 17% | 0.17 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -61.7 | -46.4 | 177.3 | 170.4 | 0 | 0 | 0 | 0 | 111.7 | H124 C125 A130 L131 V132 N163 F167 | H124-V128 WeakPolarHBondContact O-CG2 3.32Å; H124-V128 PolarHBondContact O-N 2.98Å; C125-V128 PolarHBondContact O-N 3.4Å; V128-A130 VanDerWaalsContact C-N 3.33Å; V128-A130 PolarHBondContact O-N 3.45Å; V128-L131 PolarHBondContact O-N 3.4Å; V128-V132 HydrophobicContact CG1-CG2 4.08Å; V128-V132 WeakPolarHBondContact O-CB 3.41Å; V128-V132 VanDerWaalsContact O-CG2 3.29Å; V128-V132 WeakPolarHBondContact O-CG2 3.23Å; V128-V132 PolarHBondContact O-N 2.89Å; V128-N163 HydrophobicContact CG2-CB 3.3Å; V128-F167 HydrophobicContact CG2-CE2 4.04Å |
| 129 | A | 96.1 | Very high | 92.9 | Very high | 64 Ų | 64 | 43.6 Ų | 43.6 | 53% | 0.529 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -57.9 | -46 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | C125 V126 A133 | C125-A129 PolarHBondContact O-N 2.91Å; V126-A129 PolarHBondContact O-N 3.45Å; A129-A133 WeakPolarHBondContact O-CB 3.19Å; A129-A133 PolarHBondContact O-N 2.91Å; A129-A133 VanDerWaalsContact O-N 3.07Å |
| 130 | A | 95.6 | Very high | 92.7 | Very high | 14 Ų | 14 | 45.1 Ų | 45.1 | 12% | 0.116 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -67.6 | -39.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | V126 S127 V128 A133 A134 F353 S356 F361 | V126-A130 WeakPolarHBondContact O-CB 3.36Å; V126-A130 PolarHBondContact O-N 3.05Å; S127-A130 PolarHBondContact O-N 3.29Å; V128-A130 VanDerWaalsContact C-N 3.33Å; V128-A130 PolarHBondContact O-N 3.45Å; A130-A133 PolarHBondContact O-N 3.01Å; A130-A134 WeakPolarHBondContact O-CB 3.29Å; A130-A134 PolarHBondContact O-N 3.07Å; A130-F353 HydrophobicContact CB-CD2 3.78Å; A130-F353 HydrophobicContact CB-CE2 4.44Å; A130-S356 WeakPolarHBondContact CB-OG 3.12Å; A130-F361 HydrophobicContact CB-CE2 4.44Å |
| 131 | L | 95.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.3 | -42.5 | 177 | -72.8 | 163.9 | 0 | 0 | 0 | 112.3 | S127 V128 A134 F135 I156 F159 I160 G352 | S127-L131 WeakPolarHBondContact O-CB 3.46Å; S127-L131 WeakPolarHBondContact O-CD1 3.21Å; S127-L131 WeakPolarHBondContact O-CG 3.11Å; S127-L131 PolarHBondContact O-N 3.42Å; V128-L131 PolarHBondContact O-N 3.4Å; L131-A134 PolarHBondContact O-N 3.17Å; L131-F135 VanDerWaalsContact O-CB 3.29Å; L131-F135 WeakPolarHBondContact O-CB 3.33Å; L131-F135 PolarHBondContact O-N 3.04Å; L131-I156 HydrophobicContact CD2-CB 4.45Å; L131-I156 HydrophobicContact CD2-CG1 4.34Å; L131-I156 HydrophobicContact CD2-CG2 3.94Å; L131-F159 HydrophobicContact CD1-CB 3.63Å; L131-F159 HydrophobicContact CD2-CB 4.05Å; L131-I160 HydrophobicContact CB-CD1 4.19Å; L131-I160 HydrophobicContact CB-CG1 3.69Å; L131-I160 HydrophobicContact CD1-CG1 4.27Å; L131-G352 WeakPolarHBondContact CD2-O 3.43Å |
| 132 | V | 94.8 | Very high | 91.7 | Very high | 62 Ų | 62 | 48.5 Ų | 48.5 | 38% | 0.376 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.1 | -45.4 | 176.2 | 170.6 | 0 | 0 | 0 | 0 | 110 | V128 A134 F135 L136 | V128-V132 HydrophobicContact CG1-CG2 4.08Å; V128-V132 WeakPolarHBondContact O-CB 3.41Å; V128-V132 VanDerWaalsContact O-CG2 3.29Å; V128-V132 WeakPolarHBondContact O-CG2 3.23Å; V128-V132 PolarHBondContact O-N 2.89Å; V132-A134 VanDerWaalsContact C-N 3.33Å; V132-A134 PolarHBondContact O-N 3.34Å; V132-F135 PolarHBondContact O-N 3.39Å; V132-L136 HydrophobicContact CG1-CD1 4.04Å; V132-L136 HydrophobicContact CG1-CG 4.36Å; V132-L136 WeakPolarHBondContact O-CB 3.35Å; V132-L136 VanDerWaalsContact O-CG 3.29Å; V132-L136 WeakPolarHBondContact O-CG 3.14Å; V132-L136 PolarHBondContact O-N 3.11Å |
| 133 | A | 94.1 | Very high | 90.6 | Very high | 45 Ų | 45 | 48.4 Ų | 48.4 | 37% | 0.372 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59.1 | -43.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | A129 A130 L137 F361 | A129-A133 WeakPolarHBondContact O-CB 3.19Å; A129-A133 PolarHBondContact O-N 2.91Å; A129-A133 VanDerWaalsContact O-N 3.07Å; A130-A133 PolarHBondContact O-N 3.01Å; A133-L137 WeakPolarHBondContact O-CB 3.46Å; A133-L137 PolarHBondContact O-N 3.32Å; A133-F361 HydrophobicContact CB-CZ 3.94Å |
| 134 | A | 92.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.8 | -43.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | A130 L131 V132 L137 F138 C360 F361 | A130-A134 WeakPolarHBondContact O-CB 3.29Å; A130-A134 PolarHBondContact O-N 3.07Å; L131-A134 PolarHBondContact O-N 3.17Å; V132-A134 VanDerWaalsContact C-N 3.33Å; V132-A134 PolarHBondContact O-N 3.34Å; A134-L137 WeakPolarHBondContact O-CB 3.26Å; A134-L137 PolarHBondContact O-N 3.03Å; A134-F138 WeakPolarHBondContact O-CD2 3.44Å; A134-F138 PolarHBondContact O-N 3.35Å; A134-C360 HydrophobicContact CB-CB 3.72Å; A134-F361 HydrophobicContact CB-CE2 4.5Å |
| 135 | F | 91.4 | Very high | 89 | Confident | 52 Ų | 52 | 56.3 Ų | 56.3 | 23% | 0.228 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.1 | -47 | 177.9 | -172 | -86.7 | 0 | 0 | 0 | 111.4 | L131 V132 L137 F138 L139 W153 I156 T157 I160 | L131-F135 VanDerWaalsContact O-CB 3.29Å; L131-F135 WeakPolarHBondContact O-CB 3.33Å; L131-F135 PolarHBondContact O-N 3.04Å; V132-F135 PolarHBondContact O-N 3.39Å; F135-L137 VanDerWaalsContact C-N 3.31Å; F135-L137 PolarHBondContact O-N 2.82Å; F135-F138 PolarHBondContact O-N 3.03Å; F135-L139 HydrophobicContact CD1-CD1 3.8Å; F135-L139 HydrophobicContact CD1-CG 4.16Å; F135-L139 HydrophobicContact CE1-CD1 3.62Å; F135-L139 HydrophobicContact CE1-CD2 4.43Å; F135-L139 HydrophobicContact CE1-CG 4.07Å; F135-L139 WeakPolarHBondContact O-CG 3.21Å; F135-L139 PolarHBondContact O-N 2.85Å; F135-W153 AromaticContact CD2-CD1 3.86Å; F135-W153 AromaticContact CD2-NE1 3.61Å; F135-W153 AromaticContact CE2-CD1 3.61Å; F135-W153 AromaticContact CE2-NE1 2.99Å; F135-W153 HydrophobicContact CZ-CZ2 4.48Å; F135-W153 AromaticContact CZ-NE1 3.48Å; F135-I156 HydrophobicContact CB-CG2 4.36Å; F135-I156 HydrophobicContact CD2-CG2 4.32Å; F135-T157 WeakPolarHBondContact CE2-OG1 3.47Å; F135-I160 HydrophobicContact CB-CD1 3.97Å; F135-I160 HydrophobicContact CD2-CD1 3.88Å; F135-I160 HydrophobicContact CG-CD1 4.11Å |
| 136 | L | 91.2 | Very high | 88.3 | Confident | 102 Ų | 102 | 57.6 Ų | 57.6 | 53% | 0.534 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.4 | -38.8 | 175.3 | -68.7 | 175 | 0 | 0 | 0 | 112 | V132 L139 A140 | V132-L136 HydrophobicContact CG1-CD1 4.04Å; V132-L136 HydrophobicContact CG1-CG 4.36Å; V132-L136 WeakPolarHBondContact O-CB 3.35Å; V132-L136 VanDerWaalsContact O-CG 3.29Å; V132-L136 WeakPolarHBondContact O-CG 3.14Å; V132-L136 PolarHBondContact O-N 3.11Å; L136-L139 HydrophobicContact CD2-CD1 4.41Å; L136-L139 PolarHBondContact O-N 3.25Å; L136-A140 PolarHBondContact O-N 3.48Å |
| 137 | L | 89.7 | Confident | 87.8 | Confident | 45 Ų | 45 | 56 Ų | 56 | 24% | 0.236 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63 | -44.9 | 175.7 | -162 | 94 | 0 | 0 | 0 | 111.7 | A133 A134 F135 L139 A140 L141 C360 V366 V370 | A133-L137 WeakPolarHBondContact O-CB 3.46Å; A133-L137 PolarHBondContact O-N 3.32Å; A134-L137 WeakPolarHBondContact O-CB 3.26Å; A134-L137 PolarHBondContact O-N 3.03Å; F135-L137 VanDerWaalsContact C-N 3.31Å; F135-L137 PolarHBondContact O-N 2.82Å; L137-L139 VanDerWaalsContact C-N 3.32Å; L137-L139 PolarHBondContact O-N 3.37Å; L137-A140 PolarHBondContact O-N 3.06Å; L137-L141 HydrophobicContact CD2-CD1 3.95Å; L137-L141 HydrophobicContact CG-CD1 3.91Å; L137-L141 WeakPolarHBondContact O-CB 3.49Å; L137-L141 VanDerWaalsContact O-CG 3.31Å; L137-L141 WeakPolarHBondContact O-CG 3.29Å; L137-L141 PolarHBondContact O-N 3.38Å; L137-C360 WeakPolarHBondContact CD2-SG 3.29Å; L137-V366 HydrophobicContact CD2-CG1 3.16Å; L137-V366 HydrophobicContact CG-CG1 4.49Å; L137-V370 HydrophobicContact CD1-CG2 3.88Å; L137-V370 HydrophobicContact CD2-CG2 4.1Å; L137-V370 HydrophobicContact CG-CG2 4.29Å |
| 138 | F | 86.1 | Confident | 87.4 | Confident | 19 Ų | 19 | 61 Ų | 61 | 8% | 0.083 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.1 | -37.4 | 176.1 | -80.4 | -65.3 | 0 | 0 | 0 | 112.4 | A134 F135 L141 I144 I156 C360 V366 | A134-F138 WeakPolarHBondContact O-CD2 3.44Å; A134-F138 PolarHBondContact O-N 3.35Å; F135-F138 PolarHBondContact O-N 3.03Å; F138-L141 PolarHBondContact O-N 3.19Å; F138-I144 HydrophobicContact CD1-CD1 3.7Å; F138-I144 HydrophobicContact CE1-CD1 3.78Å; F138-I156 HydrophobicContact CD2-CD1 3.98Å; F138-I156 HydrophobicContact CE2-CD1 3.51Å; F138-C360 HydrophobicContact CE2-CB 3.84Å; F138-C360 HydrophobicContact CZ-CB 4.21Å; F138-V366 HydrophobicContact CE1-CG2 4.39Å |
| 139 | L | 87 | Confident | 87 | Confident | 89 Ų | 89 | 60 Ų | 60 | 47% | 0.466 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.8 | -43.3 | 173.6 | -71.4 | 179.2 | 0 | 0 | 0 | 112.2 | F135 L136 L137 L141 W153 | F135-L139 HydrophobicContact CD1-CD1 3.8Å; F135-L139 HydrophobicContact CD1-CG 4.16Å; F135-L139 HydrophobicContact CE1-CD1 3.62Å; F135-L139 HydrophobicContact CE1-CD2 4.43Å; F135-L139 HydrophobicContact CE1-CG 4.07Å; F135-L139 WeakPolarHBondContact O-CG 3.21Å; F135-L139 PolarHBondContact O-N 2.85Å; L136-L139 HydrophobicContact CD2-CD1 4.41Å; L136-L139 PolarHBondContact O-N 3.25Å; L137-L139 VanDerWaalsContact C-N 3.32Å; L137-L139 PolarHBondContact O-N 3.37Å; L139-L141 VanDerWaalsContact C-N 3.34Å; L139-L141 PolarHBondContact O-N 2.88Å; L139-W153 HydrophobicContact CD2-CH2 4.08Å; L139-W153 HydrophobicContact CD2-CZ2 3.72Å |
| 140 | A | 86.8 | Confident | 86.6 | Confident | 77 Ų | 77 | 58.6 Ų | 58.6 | 64% | 0.636 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -68.6 | -32.9 | 180 | 0 | 0 | 0 | 0 | 0 | 112.7 | L136 L137 R142 | L136-A140 PolarHBondContact O-N 3.48Å; L137-A140 PolarHBondContact O-N 3.06Å; A140-R142 PolarHBondContact O-N 3.47Å |
| 141 | L | 84.5 | Confident | 86.4 | Confident | 13 Ų | 13 | 58.1 Ų | 58.1 | 7% | 0.068 | 31% | 0.305 | C | S | . | . | trans | -92.9 | 68 | -177.1 | -61.3 | 174.1 | 0 | 0 | 0 | 111.5 | L137 F138 L139 S143 I144 V366 A369 V370 | L137-L141 HydrophobicContact CD2-CD1 3.95Å; L137-L141 HydrophobicContact CG-CD1 3.91Å; L137-L141 WeakPolarHBondContact O-CB 3.49Å; L137-L141 VanDerWaalsContact O-CG 3.31Å; L137-L141 WeakPolarHBondContact O-CG 3.29Å; L137-L141 PolarHBondContact O-N 3.38Å; F138-L141 PolarHBondContact O-N 3.19Å; L139-L141 VanDerWaalsContact C-N 3.34Å; L139-L141 PolarHBondContact O-N 2.88Å; L141-S143 PolarHBondContact O-N 3.45Å; L141-I144 HydrophobicContact CB-CD1 3.97Å; L141-I144 HydrophobicContact CB-CG1 3.94Å; L141-I144 HydrophobicContact CD1-CD1 4.23Å; L141-I144 WeakPolarHBondContact O-CG1 3.44Å; L141-I144 PolarHBondContact O-N 2.88Å; L141-V366 HydrophobicContact CD1-CG1 4.04Å; L141-A369 HydrophobicContact CD1-CB 4.3Å; L141-A369 HydrophobicContact CD2-CB 4.17Å; L141-V370 HydrophobicContact CD1-CG2 3.81Å; L141-V370 HydrophobicContact CD2-CG2 4.48Å | ||
| 142 | R | 77.4 | Confident | 86.1 | Confident | 194 Ų | 194 | 58.8 Ų | 58.8 | 73% | 0.732 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -56.3 | -25.3 | 177.3 | -172 | 172.8 | 178.3 | 162.4 | -1 | 113.9 | A140 I144 | A140-R142 PolarHBondContact O-N 3.47Å; R142-I144 VanDerWaalsContact C-N 3.25Å; R142-I144 PolarHBondContact O-N 2.85Å |
| 143 | S | 71.6 | Confident | 85.9 | Confident | 96 Ų | 96 | 59.7 Ų | 59.7 | 67% | 0.671 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -70.3 | -12.9 | -175.2 | 60.8 | 0 | 0 | 0 | 0 | 115.1 | L141 | L141-S143 PolarHBondContact O-N 3.45Š|
| 144 | I | 76.1 | Confident | 85.8 | Confident | 20 Ų | 20 | 58.8 Ų | 58.8 | 10% | 0.103 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -104.1 | 23.7 | -175.3 | 59.8 | 167.3 | 0 | 0 | 0 | 113 | F138 L141 R142 C146 N149 V366 A369 | F138-I144 HydrophobicContact CD1-CD1 3.7Å; F138-I144 HydrophobicContact CE1-CD1 3.78Å; L141-I144 HydrophobicContact CB-CD1 3.97Å; L141-I144 HydrophobicContact CB-CG1 3.94Å; L141-I144 HydrophobicContact CD1-CD1 4.23Å; L141-I144 WeakPolarHBondContact O-CG1 3.44Å; L141-I144 PolarHBondContact O-N 2.88Å; R142-I144 VanDerWaalsContact C-N 3.25Å; R142-I144 PolarHBondContact O-N 2.85Å; I144-C146 PolarHBondContact O-N 2.8Å; I144-N149 WeakPolarHBondContact O-CB 3.32Å; I144-N149 PolarHBondContact O-ND2 3.46Å; I144-V366 HydrophobicContact CD1-CG2 4.13Å; I144-A369 HydrophobicContact CG2-CB 4.21Å |
| 145 | R | 77.2 | Confident | 85.8 | Confident | 151 Ų | 151 | 58.8 Ų | 58.8 | 57% | 0.57 | 29% | 0.294 | S | S | * | . | trans | -76.8 | 67.2 | -176.6 | -163.6 | -179.8 | -68.5 | 168.3 | -4.1 | 113.1 | V150 | R145-V150 HydrophobicContact CG-CG2 4.23Š| ||
| 146 | C | 82 | Confident | 85.9 | Confident | 75 Ų | 75 | 56.3 Ų | 56.3 | 51% | 0.507 | 28% | 0.283 | S | S | . | . | trans | -91.1 | 163.9 | 170.5 | -61.4 | 0 | 0 | 0 | 0 | 111 | I144 R148 N149 V150 | I144-C146 PolarHBondContact O-N 2.8Å; C146-R148 VanDerWaalsContact C-N 3.32Å; C146-R148 PolarHBondContact O-N 3.45Å; C146-N149 PolarHBondContact O-N 2.89Å; C146-V150 PolarHBondContact O-N 2.91Å | ||
| 147 | L | 85 | Confident | 86 | Confident | 31 Ų | 31 | 53 Ų | 53 | 16% | 0.162 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -54 | -46.9 | 178.2 | 176.9 | 56.8 | 0 | 0 | 0 | 112.3 | N149 V150 I151 Y208 K224 | L147-N149 VanDerWaalsContact C-N 3.29Å; L147-N149 PolarHBondContact O-N 3.35Å; L147-V150 WeakPolarHBondContact O-CB 3.45Å; L147-V150 PolarHBondContact O-N 3.36Å; L147-V150 VanDerWaalsContact O-N 3.11Å; L147-I151 HydrophobicContact CD1-CD1 4.35Å; L147-I151 HydrophobicContact CD1-CG1 4.5Å; L147-I151 HydrophobicContact CG-CD1 4.28Å; L147-I151 PolarHBondContact O-N 2.95Å; L147-Y208 HydrophobicContact CD2-CD2 4.47Å; L147-Y208 HydrophobicContact CD2-CE2 3.83Å; L147-Y208 HydrophobicContact CG-CE2 4.09Å; L147-K224 HydrophobicContact CD1-CB 4.3Å; L147-K224 HydrophobicContact CD1-CD 4.19Å; L147-K224 HydrophobicContact CD1-CG 3.81Å |
| 148 | R | 86.7 | Confident | 86.3 | Confident | 103 Ų | 103 | 50.8 Ų | 50.8 | 39% | 0.389 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -51.1 | -47.8 | 174.3 | 180 | -175.5 | -62.1 | 159.5 | -0.4 | 112.2 | C146 V150 I151 H152 Y208 E365 | C146-R148 VanDerWaalsContact C-N 3.32Å; C146-R148 PolarHBondContact O-N 3.45Å; R148-V150 VanDerWaalsContact C-N 3.32Å; R148-V150 PolarHBondContact O-N 3.41Å; R148-I151 WeakPolarHBondContact O-CB 3.29Å; R148-I151 PolarHBondContact O-N 2.93Å; R148-I151 VanDerWaalsContact O-N 3.17Å; R148-H152 WeakPolarHBondContact CG-NE2 3.16Å; R148-H152 PolarHBondContact O-CD2 3.36Å; R148-H152 PolarHBondContact O-N 3.36Å; R148-Y208 HydrophobicContact CB-CE1 3.87Å; R148-Y208 HydrophobicContact CG-CE1 4.07Å; R148-E365 IonicContact NH1-OE1 3.92Å |
| 149 | N | 86.6 | Confident | 86.7 | Confident | 9 Ų | 9 | 50 Ų | 50 | 5% | 0.048 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -73.9 | -25.9 | -177 | -65.9 | -7 | 0 | 0 | 0 | 112.2 | I144 C146 L147 W153 | I144-N149 WeakPolarHBondContact O-CB 3.32Å; I144-N149 PolarHBondContact O-ND2 3.46Å; C146-N149 PolarHBondContact O-N 2.89Å; L147-N149 VanDerWaalsContact C-N 3.29Å; L147-N149 PolarHBondContact O-N 3.35Å; N149-W153 WeakPolarHBondContact O-CB 3.3Å; N149-W153 PolarHBondContact O-N 3.18Å |
| 150 | V | 88.1 | Confident | 87 | Confident | 33 Ų | 33 | 47.1 Ų | 47.1 | 20% | 0.2 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.8 | -41.3 | 168.6 | 174.5 | 0 | 0 | 0 | 0 | 110.8 | R145 C146 L147 R148 W153 N154 | R145-V150 HydrophobicContact CG-CG2 4.23Å; C146-V150 PolarHBondContact O-N 2.91Å; L147-V150 WeakPolarHBondContact O-CB 3.45Å; L147-V150 PolarHBondContact O-N 3.36Å; L147-V150 VanDerWaalsContact O-N 3.11Å; R148-V150 VanDerWaalsContact C-N 3.32Å; R148-V150 PolarHBondContact O-N 3.41Å; V150-W153 PolarHBondContact O-N 2.92Å; V150-N154 PolarHBondContact O-N 2.89Å; V150-N154 PolarHBondContact O-ND2 3.3Å |
| 151 | I | 90.4 | Very high | 87.5 | Confident | 4 Ų | 4 | 46 Ų | 46 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.4 | -50.4 | 176.2 | -65.4 | 169.1 | 0 | 0 | 0 | 110.3 | L147 R148 W153 N154 L155 W201 V204 E205 Y208 | L147-I151 HydrophobicContact CD1-CD1 4.35Å; L147-I151 HydrophobicContact CD1-CG1 4.5Å; L147-I151 HydrophobicContact CG-CD1 4.28Å; L147-I151 PolarHBondContact O-N 2.95Å; R148-I151 WeakPolarHBondContact O-CB 3.29Å; R148-I151 PolarHBondContact O-N 2.93Å; R148-I151 VanDerWaalsContact O-N 3.17Å; I151-W153 VanDerWaalsContact C-N 3.26Å; I151-W153 PolarHBondContact O-N 3.46Å; I151-N154 PolarHBondContact O-N 2.88Å; I151-L155 PolarHBondContact O-N 3.38Å; I151-W201 HydrophobicContact CG2-CZ3 4.35Å; I151-V204 HydrophobicContact CG2-CG1 4.17Å; I151-E205 HydrophobicContact CG2-CB 4.1Å; I151-Y208 HydrophobicContact CD1-CD1 3.86Å; I151-Y208 HydrophobicContact CD1-CD2 3.63Å; I151-Y208 HydrophobicContact CD1-CE1 4.37Å; I151-Y208 HydrophobicContact CD1-CE2 4.18Å; I151-Y208 HydrophobicContact CD1-CG 3.46Å; I151-Y208 VanDerWaalsContact CD1-CG 3.46Å |
| 152 | H | 89.9 | Confident | 87.9 | Confident | 14 Ų | 14 | 45.7 Ų | 45.7 | 7% | 0.065 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -57.3 | -39.5 | 175.9 | -65.9 | -38.4 | 0 | 0 | 0 | 112.3 | R148 L155 I156 E205 Y359 | R148-H152 WeakPolarHBondContact CG-NE2 3.16Å; R148-H152 PolarHBondContact O-CD2 3.36Å; R148-H152 PolarHBondContact O-N 3.36Å; H152-L155 PolarHBondContact O-N 3.09Å; H152-I156 WeakPolarHBondContact O-CB 3.36Å; H152-I156 VanDerWaalsContact O-CG1 3.26Å; H152-I156 WeakPolarHBondContact O-CG1 3.17Å; H152-I156 PolarHBondContact O-N 3.06Å; H152-E205 IonicContact CE1-OE1 3.96Å; H152-E205 PolarHBondContact CE1-OE1 3.24Å; H152-E205 IonicContact CG-OE1 2.95Å; H152-E205 IonicContact ND1-OE1 3.1Å; H152-E205 PolarHBondContact ND1-OE1 3.44Å; H152-Y359 AromaticContact CE1-CD1 3.92Å; H152-Y359 AromaticContact CE1-CD2 3.95Å; H152-Y359 AromaticContact CE1-CE1 3.77Å; H152-Y359 AromaticContact CE1-CE2 3.81Å; H152-Y359 AromaticContact CE1-CG 3.99Å; H152-Y359 AromaticContact CE1-CZ 3.68Å; H152-Y359 AromaticContact ND1-CD2 3.58Å; H152-Y359 AromaticContact ND1-CE2 3.57Å; H152-Y359 AromaticContact ND1-CG 3.96Å; H152-Y359 AromaticContact ND1-CZ 3.93Å |
| 153 | W | 89.4 | Confident | 88.7 | Confident | 81 Ų | 81 | 36.4 Ų | 36.4 | 31% | 0.307 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -63.3 | -49.4 | 177.2 | -177.2 | 8.3 | 0 | 0 | 0 | 111.3 | F135 L139 N149 V150 I151 L155 I156 T157 | F135-W153 AromaticContact CD2-CD1 3.86Å; F135-W153 AromaticContact CD2-NE1 3.61Å; F135-W153 AromaticContact CE2-CD1 3.61Å; F135-W153 AromaticContact CE2-NE1 2.99Å; F135-W153 HydrophobicContact CZ-CZ2 4.48Å; F135-W153 AromaticContact CZ-NE1 3.48Å; L139-W153 HydrophobicContact CD2-CH2 4.08Å; L139-W153 HydrophobicContact CD2-CZ2 3.72Å; N149-W153 WeakPolarHBondContact O-CB 3.3Å; N149-W153 PolarHBondContact O-N 3.18Å; V150-W153 PolarHBondContact O-N 2.92Å; I151-W153 VanDerWaalsContact C-N 3.26Å; I151-W153 PolarHBondContact O-N 3.46Å; W153-L155 VanDerWaalsContact C-N 3.3Å; W153-L155 PolarHBondContact O-N 3.41Å; W153-I156 PolarHBondContact O-N 2.92Å; W153-T157 PolarHBondContact O-N 3.22Å; W153-T157 PolarHBondContact O-OG1 2.96Å |
| 154 | N | 93.2 | Very high | 89.7 | Confident | 26 Ų | 26 | 35.1 Ų | 35.1 | 14% | 0.139 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.7 | -42.9 | 176.8 | -79.2 | -87.1 | 0 | 0 | 0 | 111.5 | V150 I151 I156 T157 T158 W201 W232 | V150-N154 PolarHBondContact O-N 2.89Å; V150-N154 PolarHBondContact O-ND2 3.3Å; I151-N154 PolarHBondContact O-N 2.88Å; N154-I156 PolarHBondContact O-N 2.9Å; N154-T157 WeakPolarHBondContact O-CB 3.31Å; N154-T157 PolarHBondContact O-N 3.42Å; N154-T158 WeakPolarHBondContact O-CG2 3.46Å; N154-T158 PolarHBondContact O-N 2.84Å; N154-W201 HydrophobicContact CB-CD2 3.74Å; N154-W201 HydrophobicContact CB-CE3 3.58Å; N154-W201 HydrophobicContact CB-CH2 3.3Å; N154-W201 HydrophobicContact CB-CZ2 3.45Å; N154-W201 VanDerWaalsContact CB-CZ2 3.45Å; N154-W201 HydrophobicContact CB-CZ3 3.36Å; N154-W201 VanDerWaalsContact CG-CH2 3.42Å; N154-W232 PolarHBondContact OD1-NE1 2.9Å |
| 155 | L | 92.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.4 | -48.9 | 176.2 | -179.1 | 66.8 | 0 | 0 | 0 | 112.1 | I151 H152 W153 T157 T158 F159 W201 M202 E205 V355 Y359 | I151-L155 PolarHBondContact O-N 3.38Å; H152-L155 PolarHBondContact O-N 3.09Å; W153-L155 VanDerWaalsContact C-N 3.3Å; W153-L155 PolarHBondContact O-N 3.41Å; L155-T157 VanDerWaalsContact C-N 3.28Å; L155-T157 PolarHBondContact O-N 2.87Å; L155-T158 PolarHBondContact O-N 3.4Å; L155-T158 VanDerWaalsContact O-N 3.11Å; L155-T158 PolarHBondContact O-OG1 2.92Å; L155-F159 HydrophobicContact CD1-CD2 4.2Å; L155-F159 HydrophobicContact CD1-CE2 3.72Å; L155-F159 HydrophobicContact CD2-CE2 4.24Å; L155-F159 HydrophobicContact CG-CD2 4.04Å; L155-F159 HydrophobicContact CG-CE2 3.76Å; L155-F159 WeakPolarHBondContact O-CD2 3.49Å; L155-F159 PolarHBondContact O-N 3.44Å; L155-F159 VanDerWaalsContact O-N 3.1Å; L155-W201 HydrophobicContact CD1-CB 3.78Å; L155-M202 HydrophobicContact CD1-CG 3.78Å; L155-E205 VanDerWaalsContact CD2-CD 3.47Å; L155-E205 WeakPolarHBondContact CD2-OE2 3.39Å; L155-V355 HydrophobicContact CD2-CG1 4.29Å; L155-Y359 HydrophobicContact CD2-CE2 4.02Å |
| 156 | I | 93 | Very high | 91.1 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -57.8 | -42.9 | 175.9 | -71.7 | 167.3 | 0 | 0 | 0 | 110.6 | L131 F135 F138 H152 W153 N154 T158 F159 I160 | L131-I156 HydrophobicContact CD2-CB 4.45Å; L131-I156 HydrophobicContact CD2-CG1 4.34Å; L131-I156 HydrophobicContact CD2-CG2 3.94Å; F135-I156 HydrophobicContact CB-CG2 4.36Å; F135-I156 HydrophobicContact CD2-CG2 4.32Å; F138-I156 HydrophobicContact CD2-CD1 3.98Å; F138-I156 HydrophobicContact CE2-CD1 3.51Å; H152-I156 WeakPolarHBondContact O-CB 3.36Å; H152-I156 VanDerWaalsContact O-CG1 3.26Å; H152-I156 WeakPolarHBondContact O-CG1 3.17Å; H152-I156 PolarHBondContact O-N 3.06Å; W153-I156 PolarHBondContact O-N 2.92Å; N154-I156 PolarHBondContact O-N 2.9Å; I156-T158 VanDerWaalsContact C-N 3.33Å; I156-T158 PolarHBondContact O-N 3.29Å; I156-F159 PolarHBondContact O-N 3.5Å; I156-I160 HydrophobicContact CG2-CD1 3.98Å; I156-I160 WeakPolarHBondContact O-CG1 3.2Å; I156-I160 PolarHBondContact O-N 3.1Å |
| 157 | T | 93.3 | Very high | 91.6 | Very high | 32 Ų | 32 | 27.8 Ų | 27.8 | 20% | 0.196 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -58.3 | -43.9 | 175.8 | -55.6 | 0 | 0 | 0 | 0 | 111.4 | F135 W153 N154 L155 F159 I160 L161 | F135-T157 WeakPolarHBondContact CE2-OG1 3.47Å; W153-T157 PolarHBondContact O-N 3.22Å; W153-T157 PolarHBondContact O-OG1 2.96Å; N154-T157 WeakPolarHBondContact O-CB 3.31Å; N154-T157 PolarHBondContact O-N 3.42Å; L155-T157 VanDerWaalsContact C-N 3.28Å; L155-T157 PolarHBondContact O-N 2.87Å; T157-F159 VanDerWaalsContact C-N 3.35Å; T157-F159 PolarHBondContact O-N 2.9Å; T157-I160 PolarHBondContact O-N 2.67Å; T157-L161 HydrophobicContact CG2-CD1 3.92Å; T157-L161 HydrophobicContact CG2-CG 4.35Å; T157-L161 WeakPolarHBondContact O-CG 3.37Å; T157-L161 PolarHBondContact O-N 3.2Å |
| 158 | T | 94.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.8 | -38 | 177.1 | 65.5 | 0 | 0 | 0 | 0 | 112.9 | N154 L155 I156 L161 R162 T197 N198 W201 W232 | N154-T158 WeakPolarHBondContact O-CG2 3.46Å; N154-T158 PolarHBondContact O-N 2.84Å; L155-T158 PolarHBondContact O-N 3.4Å; L155-T158 VanDerWaalsContact O-N 3.11Å; L155-T158 PolarHBondContact O-OG1 2.92Å; I156-T158 VanDerWaalsContact C-N 3.33Å; I156-T158 PolarHBondContact O-N 3.29Å; T158-L161 PolarHBondContact O-N 3.49Å; T158-R162 WeakPolarHBondContact O-CB 3.38Å; T158-R162 PolarHBondContact O-N 3.32Å; T158-T197 HydrophobicContact CG2-CG2 3.79Å; T158-N198 PolarHBondContact OG1-ND2 2.92Å; T158-W201 HydrophobicContact CG2-CB 4.17Å; T158-W201 HydrophobicContact CG2-CG 3.78Å; T158-W232 HydrophobicContact CG2-CH2 3.93Å; T158-W232 HydrophobicContact CG2-CZ2 4.17Å; T158-W232 HydrophobicContact CG2-CZ3 4.48Å |
| 159 | F | 94.3 | Very high | 91.8 | Very high | 1 Ų | 1 | 25 Ų | 25 | 0% | 0.004 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.8 | -40.2 | 174.9 | -81.2 | -68.9 | 0 | 0 | 0 | 112 | L131 L155 I156 T157 N163 N198 M202 Q351 V355 | L131-F159 HydrophobicContact CD1-CB 3.63Å; L131-F159 HydrophobicContact CD2-CB 4.05Å; L155-F159 HydrophobicContact CD1-CD2 4.2Å; L155-F159 HydrophobicContact CD1-CE2 3.72Å; L155-F159 HydrophobicContact CD2-CE2 4.24Å; L155-F159 HydrophobicContact CG-CD2 4.04Å; L155-F159 HydrophobicContact CG-CE2 3.76Å; L155-F159 WeakPolarHBondContact O-CD2 3.49Å; L155-F159 PolarHBondContact O-N 3.44Å; L155-F159 VanDerWaalsContact O-N 3.1Å; I156-F159 PolarHBondContact O-N 3.5Å; T157-F159 VanDerWaalsContact C-N 3.35Å; T157-F159 PolarHBondContact O-N 2.9Å; F159-N163 WeakPolarHBondContact O-CB 3.47Å; F159-N163 PolarHBondContact O-N 3.35Å; F159-N163 PolarHBondContact O-ND2 3.16Å; F159-N198 WeakPolarHBondContact CD1-ND2 3.35Å; F159-N198 WeakPolarHBondContact CE1-ND2 3.47Å; F159-M202 HydrophobicContact CZ-SD 4.16Å; F159-Q351 HydrophobicContact CE1-CB 4.25Å; F159-Q351 HydrophobicContact CE1-CG 3.97Å; F159-Q351 HydrophobicContact CZ-CG 4.07Å; F159-V355 HydrophobicContact CD2-CG1 4.39Å; F159-V355 HydrophobicContact CD2-CG2 4.45Å; F159-V355 HydrophobicContact CE2-CB 4.29Å; F159-V355 HydrophobicContact CE2-CG1 4.13Å; F159-V355 HydrophobicContact CE2-CG2 3.67Å; F159-V355 HydrophobicContact CZ-CG2 3.87Å |
| 160 | I | 95.3 | Very high | 91.7 | Very high | 29 Ų | 29 | 28.2 Ų | 28.2 | 15% | 0.149 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.6 | -51.9 | 175.1 | -65.9 | 168.3 | 0 | 0 | 0 | 109.8 | L131 F135 I156 T157 R162 N163 V164 | L131-I160 HydrophobicContact CB-CD1 4.19Å; L131-I160 HydrophobicContact CB-CG1 3.69Å; L131-I160 HydrophobicContact CD1-CG1 4.27Å; F135-I160 HydrophobicContact CB-CD1 3.97Å; F135-I160 HydrophobicContact CD2-CD1 3.88Å; F135-I160 HydrophobicContact CG-CD1 4.11Å; I156-I160 HydrophobicContact CG2-CD1 3.98Å; I156-I160 WeakPolarHBondContact O-CG1 3.2Å; I156-I160 PolarHBondContact O-N 3.1Å; T157-I160 PolarHBondContact O-N 2.67Å; I160-R162 PolarHBondContact O-N 3.01Å; I160-N163 PolarHBondContact O-N 3.39Å; I160-V164 HydrophobicContact CG2-CG2 4.18Å; I160-V164 WeakPolarHBondContact O-CB 3.44Å; I160-V164 VanDerWaalsContact O-CG2 3.27Å; I160-V164 WeakPolarHBondContact O-CG2 3.34Å; I160-V164 PolarHBondContact O-N 3.43Å |
| 161 | L | 95.3 | Very high | 91.6 | Very high | 55 Ų | 55 | 33.3 Ų | 33.3 | 29% | 0.288 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -60.6 | -43.3 | -179.3 | -68.3 | 169.8 | 0 | 0 | 0 | 112 | T157 T158 M165 F194 W232 | T157-L161 HydrophobicContact CG2-CD1 3.92Å; T157-L161 HydrophobicContact CG2-CG 4.35Å; T157-L161 WeakPolarHBondContact O-CG 3.37Å; T157-L161 PolarHBondContact O-N 3.2Å; T158-L161 PolarHBondContact O-N 3.49Å; L161-M165 VanDerWaalsContact O-CB 3.25Å; L161-M165 WeakPolarHBondContact O-CB 3.25Å; L161-M165 PolarHBondContact O-N 3.1Å; L161-F194 HydrophobicContact CB-CD1 3.9Å; L161-F194 HydrophobicContact CB-CD2 4Å; L161-F194 HydrophobicContact CB-CE1 4.04Å; L161-F194 HydrophobicContact CB-CE2 4.09Å; L161-F194 HydrophobicContact CB-CG 3.9Å; L161-F194 HydrophobicContact CB-CZ 4.12Å; L161-F194 HydrophobicContact CD1-CD1 4.1Å; L161-F194 HydrophobicContact CD1-CE1 3.7Å; L161-F194 HydrophobicContact CD1-CZ 4.15Å; L161-F194 HydrophobicContact CD2-CE2 4.44Å; L161-F194 HydrophobicContact CD2-CZ 4.12Å; L161-F194 HydrophobicContact CG-CE1 4.3Å; L161-F194 HydrophobicContact CG-CZ 4.36Å; L161-W232 HydrophobicContact CD1-CH2 3.85Å; L161-W232 HydrophobicContact CD1-CZ3 4.31Å |
| 162 | R | 94.2 | Very high | 91.1 | Very high | 5 Ų | 5 | 34.2 Ų | 34.2 | 2% | 0.019 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.4 | -48.5 | 175.6 | -172.9 | -170.8 | 82.7 | 175.5 | 14.3 | 111.6 | T158 I160 W166 F194 V195 N198 Y323 Q348 Q351 | T158-R162 WeakPolarHBondContact O-CB 3.38Å; T158-R162 PolarHBondContact O-N 3.32Å; I160-R162 PolarHBondContact O-N 3.01Å; R162-W166 WeakPolarHBondContact O-CB 3.41Å; R162-W166 PolarHBondContact O-N 2.86Å; R162-F194 HydrophobicContact CB-CB 4.46Å; R162-V195 HydrophobicContact CG-CG2 4.14Å; R162-N198 PolarHBondContact NH1-OD1 3.14Å; R162-Y323 PolarHBondContact NH1-OH 2.97Å; R162-Q348 PolarHBondContact NH2-O 3.16Å; R162-Q348 VanDerWaalsContact NH2-O 3.14Å; R162-Q351 VanDerWaalsContact NH1-OE1 3.11Å |
| 163 | N | 93.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -70.4 | -40.2 | -178.2 | -69.7 | -25 | 0 | 0 | 0 | 112.3 | H124 S127 V128 F159 I160 M165 W166 F167 | H124-N163 PolarHBondContact CE1-OD1 2.98Å; H124-N163 VanDerWaalsContact CE1-OD1 3.29Å; H124-N163 PolarHBondContact ND1-OD1 3.45Å; S127-N163 PolarHBondContact OG-ND2 3.33Å; V128-N163 HydrophobicContact CG2-CB 3.3Å; F159-N163 WeakPolarHBondContact O-CB 3.47Å; F159-N163 PolarHBondContact O-N 3.35Å; F159-N163 PolarHBondContact O-ND2 3.16Å; I160-N163 PolarHBondContact O-N 3.39Å; N163-M165 VanDerWaalsContact C-N 3.33Å; N163-W166 WeakPolarHBondContact O-CB 3.31Å; N163-W166 PolarHBondContact O-N 3.16Å; N163-F167 WeakPolarHBondContact O-CD2 3.26Å; N163-F167 PolarHBondContact O-N 3.32Å; N163-F167 VanDerWaalsContact O-N 3.08Å |
| 164 | V | 92.9 | Very high | 89.1 | Confident | 68 Ų | 68 | 41.2 Ų | 41.2 | 41% | 0.412 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -61.8 | -44.8 | 175.3 | 169.6 | 0 | 0 | 0 | 0 | 110.2 | I160 W166 F167 L168 | I160-V164 HydrophobicContact CG2-CG2 4.18Å; I160-V164 WeakPolarHBondContact O-CB 3.44Å; I160-V164 VanDerWaalsContact O-CG2 3.27Å; I160-V164 WeakPolarHBondContact O-CG2 3.34Å; I160-V164 PolarHBondContact O-N 3.43Å; V164-W166 VanDerWaalsContact C-N 3.32Å; V164-W166 PolarHBondContact O-N 3.11Å; V164-F167 WeakPolarHBondContact O-CB 3.41Å; V164-F167 PolarHBondContact O-N 2.81Å; V164-L168 PolarHBondContact O-N 3.44Å; V164-L168 VanDerWaalsContact O-N 3.09Å |
| 165 | M | 92.4 | Very high | 87.6 | Confident | 20 Ų | 20 | 47.5 Ų | 47.5 | 10% | 0.099 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -68.4 | -32 | 177.8 | -169.4 | 60.9 | 64.4 | 0 | 0 | 112.5 | L161 N163 L168 L169 I187 I190 F191 F194 | L161-M165 VanDerWaalsContact O-CB 3.25Å; L161-M165 WeakPolarHBondContact O-CB 3.25Å; L161-M165 PolarHBondContact O-N 3.1Å; N163-M165 VanDerWaalsContact C-N 3.33Å; M165-L168 HydrophobicContact CE-CD1 4.03Å; M165-L168 PolarHBondContact O-N 2.99Å; M165-L168 HydrophobicContact SD-CB 4.15Å; M165-L168 HydrophobicContact SD-CD1 3.82Å; M165-L169 PolarHBondContact O-N 3.36Å; M165-I187 HydrophobicContact SD-CG2 3.79Å; M165-I190 HydrophobicContact CE-CB 4.01Å; M165-I190 HydrophobicContact CE-CG2 3.39Å; M165-I190 HydrophobicContact SD-CG2 4.48Å; M165-F191 HydrophobicContact CB-CD2 4.06Å; M165-F191 VanDerWaalsContact CG-CA 3.48Å; M165-F191 HydrophobicContact CG-CB 3.53Å; M165-F191 HydrophobicContact CG-CD2 3.84Å; M165-F191 HydrophobicContact CG-CG 4.18Å; M165-F194 HydrophobicContact CB-CD2 4Å; M165-F194 HydrophobicContact CE-CD2 4.27Å; M165-F194 HydrophobicContact CE-CE2 3.85Å; M165-F194 HydrophobicContact CG-CD2 4.31Å |
| 166 | W | 91.4 | Very high | 86.2 | Confident | 27 Ų | 27 | 48.9 Ų | 48.9 | 10% | 0.102 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.8 | -44.4 | 170.4 | -176.2 | 84 | 0 | 0 | 0 | 111.6 | N120 Y121 H124 R162 N163 V164 L168 L169 Q170 F191 | N120-W166 WeakPolarHBondContact OD1-CZ2 3.27Å; Y121-W166 AromaticContact CD2-CH2 3.99Å; Y121-W166 HydrophobicContact CD2-CH2 3.99Å; Y121-W166 AromaticContact CD2-CZ3 3.92Å; Y121-W166 HydrophobicContact CD2-CZ3 3.92Å; Y121-W166 HydrophobicContact CG-CH2 4.45Å; H124-W166 HydrophobicContact CB-CE3 4.01Å; H124-W166 HydrophobicContact CB-CZ3 4.04Å; H124-W166 AromaticContact CD2-CD2 3.65Å; H124-W166 AromaticContact CD2-CE2 3.79Å; H124-W166 AromaticContact CD2-CE3 3.69Å; H124-W166 AromaticContact CD2-CZ2 4Å; H124-W166 AromaticContact CD2-CZ3 3.86Å; H124-W166 AromaticContact CG-CE3 3.9Å; R162-W166 WeakPolarHBondContact O-CB 3.41Å; R162-W166 PolarHBondContact O-N 2.86Å; N163-W166 WeakPolarHBondContact O-CB 3.31Å; N163-W166 PolarHBondContact O-N 3.16Å; V164-W166 VanDerWaalsContact C-N 3.32Å; V164-W166 PolarHBondContact O-N 3.11Å; W166-L168 VanDerWaalsContact C-N 3.33Å; W166-L168 PolarHBondContact O-N 2.89Å; W166-L169 PolarHBondContact O-N 3.2Å; W166-Q170 HydrophobicContact CD2-CG 4.02Å; W166-Q170 HydrophobicContact CE3-CG 4.02Å; W166-Q170 HydrophobicContact CH2-CG 3.65Å; W166-Q170 HydrophobicContact CZ2-CG 3.62Å; W166-Q170 HydrophobicContact CZ3-CG 3.85Å; W166-Q170 WeakPolarHBondContact O-CG 3.31Å; W166-Q170 PolarHBondContact O-N 2.89Å; W166-F191 HydrophobicContact CB-CE2 3.94Å |
| 167 | F | 91.7 | Very high | 84.8 | Confident | 45 Ų | 45 | 50.4 Ų | 50.4 | 20% | 0.197 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.5 | -40.1 | 173.9 | -74.5 | -65.3 | 0 | 0 | 0 | 112.5 | Y121 H124 C125 V128 N163 V164 L169 Q170 L171 | Y121-F167 HydrophobicContact CD2-CD1 4.47Å; Y121-F167 AromaticContact CD2-CE1 3.96Å; Y121-F167 HydrophobicContact CD2-CE1 3.96Å; Y121-F167 HydrophobicContact CE2-CD1 4Å; Y121-F167 AromaticContact CE2-CE1 3.64Å; Y121-F167 HydrophobicContact CE2-CE1 3.64Å; H124-F167 HydrophobicContact CB-CE2 4.24Å; H124-F167 HydrophobicContact CB-CZ 3.9Å; C125-F167 HydrophobicContact CB-CZ 4.5Å; C125-F167 VanDerWaalsContact SG-CZ 3.6Å; V128-F167 HydrophobicContact CG2-CE2 4.04Å; N163-F167 WeakPolarHBondContact O-CD2 3.26Å; N163-F167 PolarHBondContact O-N 3.32Å; N163-F167 VanDerWaalsContact O-N 3.08Å; V164-F167 WeakPolarHBondContact O-CB 3.41Å; V164-F167 PolarHBondContact O-N 2.81Å; F167-L169 VanDerWaalsContact C-N 3.29Å; F167-L169 PolarHBondContact O-N 3.29Å; F167-Q170 PolarHBondContact O-N 3.5Å; F167-L171 WeakPolarHBondContact O-CG 3.49Å; F167-L171 PolarHBondContact O-N 3.21Å |
| 168 | L | 89.6 | Confident | 83.4 | Confident | 74 Ų | 74 | 55 Ų | 55 | 39% | 0.387 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.1 | -37.9 | 176.1 | -67.1 | 176.9 | 0 | 0 | 0 | 112.1 | V164 M165 W166 L171 | V164-L168 PolarHBondContact O-N 3.44Å; V164-L168 VanDerWaalsContact O-N 3.09Å; M165-L168 HydrophobicContact CE-CD1 4.03Å; M165-L168 PolarHBondContact O-N 2.99Å; M165-L168 HydrophobicContact SD-CB 4.15Å; M165-L168 HydrophobicContact SD-CD1 3.82Å; W166-L168 VanDerWaalsContact C-N 3.33Å; W166-L168 PolarHBondContact O-N 2.89Å; L168-L171 HydrophobicContact CD2-CD1 4.39Å; L168-L171 PolarHBondContact O-N 3.29Å |
| 169 | L | 86.1 | Confident | 82.1 | Confident | 3 Ų | 3 | 57.5 Ų | 57.5 | 2% | 0.016 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.4 | -36.4 | 174 | -78.4 | 174 | 0 | 0 | 0 | 113 | M165 W166 F167 L171 V172 I187 F191 F256 | M165-L169 PolarHBondContact O-N 3.36Å; W166-L169 PolarHBondContact O-N 3.2Å; F167-L169 VanDerWaalsContact C-N 3.29Å; F167-L169 PolarHBondContact O-N 3.29Å; L169-L171 PolarHBondContact O-N 3.19Å; L169-V172 WeakPolarHBondContact O-CB 3.39Å; L169-V172 PolarHBondContact O-N 3.1Å; L169-V172 VanDerWaalsContact O-N 3.15Å; L169-I187 HydrophobicContact CD2-CG2 3.64Å; L169-I187 HydrophobicContact CG-CG2 4.02Å; L169-F191 HydrophobicContact CD1-CB 3.47Å; L169-F191 VanDerWaalsContact CD1-CB 3.47Å; L169-F191 HydrophobicContact CD1-CD1 3.33Å; L169-F191 HydrophobicContact CD1-CD2 3.54Å; L169-F191 HydrophobicContact CD1-CE1 3.86Å; L169-F191 HydrophobicContact CD1-CE2 4.06Å; L169-F191 HydrophobicContact CD1-CG 3.14Å; L169-F191 HydrophobicContact CD1-CZ 4.19Å; L169-F191 HydrophobicContact CG-CB 4.3Å; L169-F191 HydrophobicContact CG-CG 4.34Å; L169-F256 HydrophobicContact CB-CE2 4.06Å; L169-F256 HydrophobicContact CD1-CD2 4.36Å; L169-F256 HydrophobicContact CD1-CE2 4.02Å; L169-F256 HydrophobicContact CD2-CD2 3.84Å; L169-F256 HydrophobicContact CD2-CE2 4.04Å; L169-F256 HydrophobicContact CG-CE2 4.29Å |
| 170 | Q | 85.2 | Confident | 81 | Confident | 76 Ų | 76 | 59.3 Ų | 59.3 | 36% | 0.355 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -69.4 | -14.8 | 176.1 | -64 | -57.9 | -52.5 | 0 | 0 | 113.4 | W166 F167 | W166-Q170 HydrophobicContact CD2-CG 4.02Å; W166-Q170 HydrophobicContact CE3-CG 4.02Å; W166-Q170 HydrophobicContact CH2-CG 3.65Å; W166-Q170 HydrophobicContact CZ2-CG 3.62Å; W166-Q170 HydrophobicContact CZ3-CG 3.85Å; W166-Q170 WeakPolarHBondContact O-CG 3.31Å; W166-Q170 PolarHBondContact O-N 2.89Å; F167-Q170 PolarHBondContact O-N 3.5Å |
| 171 | L | 84.5 | Confident | 80.4 | Confident | 140 Ų | 140 | 61.8 Ų | 61.8 | 73% | 0.733 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -10.8 | 173.7 | -67 | 170.7 | 0 | 0 | 0 | 112.8 | F167 L168 L169 D173 | F167-L171 WeakPolarHBondContact O-CG 3.49Å; F167-L171 PolarHBondContact O-N 3.21Å; L168-L171 HydrophobicContact CD2-CD1 4.39Å; L168-L171 PolarHBondContact O-N 3.29Å; L169-L171 PolarHBondContact O-N 3.19Å; L171-D173 PolarHBondContact O-N 2.67Å |
| 172 | V | 80 | Confident | 79.9 | Confident | 23 Ų | 23 | 64.1 Ų | 64.1 | 14% | 0.139 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -76.7 | 111.5 | 176.3 | -178.9 | 0 | 0 | 0 | 0 | 108 | L169 V176 W183 | L169-V172 WeakPolarHBondContact O-CB 3.39Å; L169-V172 PolarHBondContact O-N 3.1Å; L169-V172 VanDerWaalsContact O-N 3.15Å; V172-V176 HydrophobicContact CG1-CB 3.92Å; V172-V176 HydrophobicContact CG1-CG1 3.74Å; V172-W183 HydrophobicContact CG1-CH2 4.49Å; V172-W183 HydrophobicContact CG2-CH2 4.17Å; V172-W183 HydrophobicContact CG2-CZ3 3.92Å |
| 173 | D | 71 | Confident | 79.4 | Confident | 108 Ų | 108 | 69 Ų | 69 | 58% | 0.578 | 35% | 0.347 | S | S | * | . | trans | -73.4 | 161.4 | -179.7 | -149 | -19.9 | 0 | 0 | 0 | 111.8 | L171 E175 V176 H177 | L171-D173 PolarHBondContact O-N 2.67Å; D173-E175 PolarHBondContact O-N 2.94Å; D173-V176 WeakPolarHBondContact O-CB 3.07Å; D173-V176 PolarHBondContact O-N 3.19Å; D173-V176 VanDerWaalsContact O-N 3.08Å; D173-H177 PolarHBondContact O-N 3.11Å | ||
| 174 | H | 66.9 | Low | 79.1 | Confident | 134 Ų | 134 | 69 Ų | 69 | 62% | 0.62 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -60.9 | -32.6 | 179.7 | -162.7 | -71.1 | 0 | 0 | 0 | 112 | V176 H177 | H174-V176 VanDerWaalsContact C-N 3.29Å; H174-V176 PolarHBondContact O-N 3.34Å; H174-H177 VanDerWaalsContact O-CB 3.31Å; H174-H177 WeakPolarHBondContact O-CB 3.25Å; H174-H177 PolarHBondContact O-N 3.37Å |
| 175 | E | 62 | Low | 78.8 | Confident | 158 Ų | 158 | 67.3 Ų | 67.3 | 74% | 0.738 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -64.5 | -34.2 | 176.5 | -62.7 | -171.4 | 165.9 | 0 | 0 | 112.4 | D173 H177 S179 | D173-E175 PolarHBondContact O-N 2.94Å; E175-H177 VanDerWaalsContact C-N 3.31Å; E175-S179 PolarHBondContact O-N 3.39Å |
| 176 | V | 62.7 | Low | 78.7 | Confident | 28 Ų | 28 | 69.4 Ų | 69.4 | 17% | 0.17 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -73.8 | -27.6 | 177.9 | 176.7 | 0 | 0 | 0 | 0 | 111.6 | V172 D173 H174 E178 S179 W183 C184 | V172-V176 HydrophobicContact CG1-CB 3.92Å; V172-V176 HydrophobicContact CG1-CG1 3.74Å; D173-V176 WeakPolarHBondContact O-CB 3.07Å; D173-V176 PolarHBondContact O-N 3.19Å; D173-V176 VanDerWaalsContact O-N 3.08Å; H174-V176 VanDerWaalsContact C-N 3.29Å; H174-V176 PolarHBondContact O-N 3.34Å; V176-E178 VanDerWaalsContact C-N 3.26Å; V176-E178 PolarHBondContact O-N 3.42Å; V176-S179 WeakPolarHBondContact CA-OG 3.49Å; V176-S179 PolarHBondContact O-N 2.86Å; V176-S179 PolarHBondContact O-OG 3.44Å; V176-S179 VanDerWaalsContact O-OG 3.09Å; V176-W183 HydrophobicContact CB-CZ2 4.29Å; V176-W183 HydrophobicContact CG1-CH2 3.51Å; V176-W183 HydrophobicContact CG1-CZ2 3.19Å; V176-W183 HydrophobicContact CG2-CH2 4.45Å; V176-W183 HydrophobicContact CG2-CZ2 4.12Å; V176-C184 HydrophobicContact CG1-CB 4.33Å |
| 177 | H | 64.1 | Low | 78.6 | Confident | 33 Ų | 33 | 69.9 Ų | 69.9 | 15% | 0.153 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.5 | -39.1 | 178 | -167.7 | 60.6 | 0 | 0 | 0 | 111.5 | D173 H174 E175 C254 F256 | D173-H177 PolarHBondContact O-N 3.11Å; H174-H177 VanDerWaalsContact O-CB 3.31Å; H174-H177 WeakPolarHBondContact O-CB 3.25Å; H174-H177 PolarHBondContact O-N 3.37Å; E175-H177 VanDerWaalsContact C-N 3.31Å; H177-C254 PolarHBondContact CE1-O 2.93Å; H177-C254 PolarHBondContact O-N 3.47Å; H177-F256 VanDerWaalsContact CE1-C 3.48Å; H177-F256 PolarHBondContact CE1-O 2.95Å; H177-F256 PolarHBondContact NE2-O 3.38Å |
| 178 | E | 64.1 | Low | 78.5 | Confident | 127 Ų | 127 | 68 Ų | 68 | 59% | 0.593 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -79.2 | -28.4 | 176.8 | -64.6 | -169.6 | 170.5 | 0 | 0 | 113.1 | V176 N180 | V176-E178 VanDerWaalsContact C-N 3.26Å; V176-E178 PolarHBondContact O-N 3.42Å; E178-N180 PolarHBondContact O-N 3.26Å |
| 179 | S | 67.4 | Low | 78.6 | Confident | 54 Ų | 54 | 65.9 Ų | 65.9 | 38% | 0.378 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -3.5 | -177.6 | 72.4 | 0 | 0 | 0 | 0 | 114.5 | E175 V176 E181 | E175-S179 PolarHBondContact O-N 3.39Å; V176-S179 WeakPolarHBondContact CA-OG 3.49Å; V176-S179 PolarHBondContact O-N 2.86Å; V176-S179 PolarHBondContact O-OG 3.44Å; V176-S179 VanDerWaalsContact O-OG 3.09Å; S179-E181 WeakPolarHBondContact CB-OE1 3.36Å; S179-E181 PolarHBondContact O-N 3Å; S179-E181 WeakPolarHBondContact OG-CG 3.42Å; S179-E181 PolarHBondContact OG-OE1 3.41Å |
| 180 | N | 71.8 | Confident | 78.9 | Confident | 38 Ų | 38 | 69.2 Ų | 69.2 | 20% | 0.203 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 48.2 | 34.9 | 172.5 | -163.4 | 11.1 | 0 | 0 | 0 | 114.2 | E178 R185 N251 E252 Q253 | E178-N180 PolarHBondContact O-N 3.26Å; N180-R185 PolarHBondContact ND2-NH2 3.23Å; N180-R185 VanDerWaalsContact OD1-CZ 3.26Å; N180-R185 PolarHBondContact OD1-NE 3.48Å; N180-R185 PolarHBondContact OD1-NH2 3.07Å; N180-N251 PolarHBondContact ND2-O 3.25Å; N180-E252 WeakPolarHBondContact CB-O 3.46Å; N180-E252 VanDerWaalsContact CG-O 3.23Å; N180-E252 VanDerWaalsContact ND2-C 3.28Å; N180-E252 PolarHBondContact ND2-O 3.29Å; N180-Q253 PolarHBondContact OD1-O 2.86Å |
| 181 | E | 82 | Confident | 79.3 | Confident | 81 Ų | 81 | 67.2 Ų | 67.2 | 38% | 0.379 | 34% | 0.343 | S | S | . | . | trans | -73.6 | 141.4 | -173.8 | -71.2 | 178.1 | -125.9 | 0 | 0 | 111.8 | S179 W183 C184 R185 | S179-E181 WeakPolarHBondContact CB-OE1 3.36Å; S179-E181 PolarHBondContact O-N 3Å; S179-E181 WeakPolarHBondContact OG-CG 3.42Å; S179-E181 PolarHBondContact OG-OE1 3.41Å; E181-W183 VanDerWaalsContact CB-CD1 3.49Å; E181-W183 HydrophobicContact CB-CG 4.39Å; E181-W183 PolarHBondContact O-N 2.97Å; E181-W183 VanDerWaalsContact O-N 3.16Å; E181-W183 VanDerWaalsContact OE2-CD1 3.24Å; E181-W183 PolarHBondContact OE2-NE1 3.2Å; E181-C184 WeakPolarHBondContact O-CB 3.47Å; E181-C184 PolarHBondContact O-N 2.92Å; E181-R185 PolarHBondContact O-N 2.99Å | ||
| 182 | V | 84.7 | Confident | 79.6 | Confident | 105 Ų | 105 | 61.1 Ų | 61.1 | 64% | 0.636 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -56.9 | -35.9 | -177.3 | 178.5 | 0 | 0 | 0 | 0 | 111.8 | C184 R185 C186 | V182-C184 VanDerWaalsContact C-N 3.34Å; V182-C184 PolarHBondContact O-N 3.05Å; V182-R185 WeakPolarHBondContact O-CB 3.15Å; V182-R185 PolarHBondContact O-N 2.91Å; V182-C186 PolarHBondContact O-N 2.95Å; V182-C186 PolarHBondContact O-SG 3.44Å; V182-C186 VanDerWaalsContact O-SG 3.39Å |
| 183 | W | 84.3 | Confident | 80.4 | Confident | 106 Ų | 106 | 62.2 Ų | 62.2 | 40% | 0.402 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -66.8 | -34.3 | 179.8 | 70.5 | -96.5 | 0 | 0 | 0 | 112.4 | V172 V176 E181 R185 C186 I187 | V172-W183 HydrophobicContact CG1-CH2 4.49Å; V172-W183 HydrophobicContact CG2-CH2 4.17Å; V172-W183 HydrophobicContact CG2-CZ3 3.92Å; V176-W183 HydrophobicContact CB-CZ2 4.29Å; V176-W183 HydrophobicContact CG1-CH2 3.51Å; V176-W183 HydrophobicContact CG1-CZ2 3.19Å; V176-W183 HydrophobicContact CG2-CH2 4.45Å; V176-W183 HydrophobicContact CG2-CZ2 4.12Å; E181-W183 VanDerWaalsContact CB-CD1 3.49Å; E181-W183 HydrophobicContact CB-CG 4.39Å; E181-W183 PolarHBondContact O-N 2.97Å; E181-W183 VanDerWaalsContact O-N 3.16Å; E181-W183 VanDerWaalsContact OE2-CD1 3.24Å; E181-W183 PolarHBondContact OE2-NE1 3.2Å; W183-R185 VanDerWaalsContact C-N 3.32Å; W183-R185 PolarHBondContact O-N 2.97Å; W183-C186 WeakPolarHBondContact O-CB 3.36Å; W183-C186 PolarHBondContact O-N 2.91Å; W183-I187 HydrophobicContact CE3-CD1 3.48Å; W183-I187 VanDerWaalsContact CE3-CD1 3.48Å; W183-I187 HydrophobicContact CE3-CG1 4.25Å; W183-I187 HydrophobicContact CZ3-CD1 3.6Å; W183-I187 WeakPolarHBondContact O-CG1 3.42Å; W183-I187 PolarHBondContact O-N 3.28Å |
| 184 | C | 86.7 | Confident | 81.5 | Confident | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.007 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.3 | -40.7 | 176.5 | -172.5 | 0 | 0 | 0 | 0 | 110.7 | V176 E181 V182 I187 T188 C254 | V176-C184 HydrophobicContact CG1-CB 4.33Å; E181-C184 WeakPolarHBondContact O-CB 3.47Å; E181-C184 PolarHBondContact O-N 2.92Å; V182-C184 VanDerWaalsContact C-N 3.34Å; V182-C184 PolarHBondContact O-N 3.05Å; C184-I187 PolarHBondContact O-N 2.83Å; C184-T188 WeakPolarHBondContact O-CB 3.27Å; C184-T188 PolarHBondContact O-N 3.04Å; C184-T188 PolarHBondContact O-OG1 3.46Å; C184-C254 HydrophobicContact CB-CB 3.85Å; C184-C254 WeakPolarHBondContact CB-SG 3.19Å; C184-C254 PolarHBondContact O-SG 2.9Å; C184-C254 WeakPolarHBondContact SG-CB 3.41Å; C184-C254 CovalentContact SG-SG 2.03Å; C184-C254 PolarHBondContact SG-SG 3.42Å |
| 185 | R | 86.8 | Confident | 82.7 | Confident | 33 Ų | 33 | 53.1 Ų | 53.1 | 13% | 0.125 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.4 | -42.4 | 174 | -54.4 | 179 | -169.4 | -176.6 | -6.4 | 111.8 | N180 E181 V182 W183 T188 T189 N251 W255 | N180-R185 PolarHBondContact ND2-NH2 3.23Å; N180-R185 VanDerWaalsContact OD1-CZ 3.26Å; N180-R185 PolarHBondContact OD1-NE 3.48Å; N180-R185 PolarHBondContact OD1-NH2 3.07Å; E181-R185 PolarHBondContact O-N 2.99Å; V182-R185 WeakPolarHBondContact O-CB 3.15Å; V182-R185 PolarHBondContact O-N 2.91Å; W183-R185 VanDerWaalsContact C-N 3.32Å; W183-R185 PolarHBondContact O-N 2.97Å; R185-T188 PolarHBondContact O-N 3.26Å; R185-T189 WeakPolarHBondContact O-CB 3.45Å; R185-T189 PolarHBondContact O-N 2.89Å; R185-T189 PolarHBondContact O-OG1 3.24Å; R185-N251 PolarHBondContact NH1-OD1 3.49Å; R185-N251 PolarHBondContact NH2-O 3.43Å; R185-N251 PolarHBondContact NH2-OD1 3.29Å; R185-W255 HydrophobicContact CB-CD2 4.46Å; R185-W255 HydrophobicContact CB-CE3 4.33Å; R185-W255 HydrophobicContact CB-CZ3 4.46Å |
| 186 | C | 89.2 | Confident | 84.2 | Confident | 64 Ų | 64 | 45.6 Ų | 45.6 | 43% | 0.432 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.9 | -48.6 | 175.8 | -72.6 | 0 | 0 | 0 | 0 | 112 | V182 W183 T188 T189 I190 | V182-C186 PolarHBondContact O-N 2.95Å; V182-C186 PolarHBondContact O-SG 3.44Å; V182-C186 VanDerWaalsContact O-SG 3.39Å; W183-C186 WeakPolarHBondContact O-CB 3.36Å; W183-C186 PolarHBondContact O-N 2.91Å; C186-T188 VanDerWaalsContact C-N 3.34Å; C186-T188 PolarHBondContact O-N 3.07Å; C186-T189 PolarHBondContact O-N 3.13Å; C186-I190 WeakPolarHBondContact O-CD1 3.4Å; C186-I190 WeakPolarHBondContact O-CG1 3.35Å; C186-I190 PolarHBondContact O-N 3.38Å |
| 187 | I | 90.1 | Very high | 85.8 | Confident | 37 Ų | 37 | 44.2 Ų | 44.2 | 19% | 0.19 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.8 | -46.2 | 178.5 | -69.4 | -176 | 0 | 0 | 0 | 110.5 | M165 L169 W183 C184 T189 I190 F191 | M165-I187 HydrophobicContact SD-CG2 3.79Å; L169-I187 HydrophobicContact CD2-CG2 3.64Å; L169-I187 HydrophobicContact CG-CG2 4.02Å; W183-I187 HydrophobicContact CE3-CD1 3.48Å; W183-I187 VanDerWaalsContact CE3-CD1 3.48Å; W183-I187 HydrophobicContact CE3-CG1 4.25Å; W183-I187 HydrophobicContact CZ3-CD1 3.6Å; W183-I187 WeakPolarHBondContact O-CG1 3.42Å; W183-I187 PolarHBondContact O-N 3.28Å; C184-I187 PolarHBondContact O-N 2.83Å; I187-T189 PolarHBondContact O-N 2.96Å; I187-I190 PolarHBondContact O-N 3.35Å; I187-F191 WeakPolarHBondContact O-CB 3.35Å; I187-F191 PolarHBondContact O-N 3.18Å |
| 188 | T | 88.6 | Confident | 87.2 | Confident | 4 Ų | 4 | 42.7 Ų | 42.7 | 3% | 0.025 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63 | -41.1 | 178.7 | -56.8 | 0 | 0 | 0 | 0 | 112.2 | C184 R185 C186 F191 N192 W242 W255 | C184-T188 WeakPolarHBondContact O-CB 3.27Å; C184-T188 PolarHBondContact O-N 3.04Å; C184-T188 PolarHBondContact O-OG1 3.46Å; R185-T188 PolarHBondContact O-N 3.26Å; C186-T188 VanDerWaalsContact C-N 3.34Å; C186-T188 PolarHBondContact O-N 3.07Å; T188-F191 WeakPolarHBondContact O-CB 3.43Å; T188-F191 PolarHBondContact O-N 3.14Å; T188-N192 PolarHBondContact O-N 2.9Å; T188-N192 PolarHBondContact O-ND2 2.8Å; T188-W242 HydrophobicContact CG2-CH2 4.41Å; T188-W255 HydrophobicContact CG2-CB 4.07Å; T188-W255 WeakPolarHBondContact CG2-O 3.45Å |
| 189 | T | 91.5 | Very high | 88.5 | Confident | 30 Ų | 30 | 37 Ų | 37 | 18% | 0.184 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.2 | -44.8 | 175.7 | -57.7 | 0 | 0 | 0 | 0 | 111.7 | R185 C186 I187 F191 N192 Y193 I239 A243 W255 | R185-T189 WeakPolarHBondContact O-CB 3.45Å; R185-T189 PolarHBondContact O-N 2.89Å; R185-T189 PolarHBondContact O-OG1 3.24Å; C186-T189 PolarHBondContact O-N 3.13Å; I187-T189 PolarHBondContact O-N 2.96Å; T189-F191 VanDerWaalsContact C-N 3.32Å; T189-F191 PolarHBondContact O-N 2.95Å; T189-N192 PolarHBondContact O-N 3.33Å; T189-Y193 PolarHBondContact O-N 3.47Å; T189-I239 HydrophobicContact CG2-CG2 3.65Å; T189-A243 HydrophobicContact CG2-CB 4.11Å; T189-W255 VanDerWaalsContact OG1-CZ3 3.28Å; T189-W255 WeakPolarHBondContact OG1-CZ3 3.43Å |
| 190 | I | 93.8 | Very high | 89.8 | Confident | 73 Ų | 73 | 35.1 Ų | 35.1 | 37% | 0.374 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -66.3 | -37.9 | 178.8 | -62.6 | 163 | 0 | 0 | 0 | 110.4 | M165 C186 I187 Y193 F194 | M165-I190 HydrophobicContact CE-CB 4.01Å; M165-I190 HydrophobicContact CE-CG2 3.39Å; M165-I190 HydrophobicContact SD-CG2 4.48Å; C186-I190 WeakPolarHBondContact O-CD1 3.4Å; C186-I190 WeakPolarHBondContact O-CG1 3.35Å; C186-I190 PolarHBondContact O-N 3.38Å; I187-I190 PolarHBondContact O-N 3.35Å; I190-Y193 WeakPolarHBondContact O-CB 3.33Å; I190-Y193 PolarHBondContact O-N 2.92Å; I190-F194 HydrophobicContact CG2-CD2 3.85Å; I190-F194 HydrophobicContact CG2-CE2 3.36Å; I190-F194 HydrophobicContact CG2-CZ 3.88Å; I190-F194 WeakPolarHBondContact O-CD2 3.3Å; I190-F194 PolarHBondContact O-N 2.86Å |
| 191 | F | 92.9 | Very high | 90.9 | Very high | 35 Ų | 35 | 33.4 Ų | 33.4 | 15% | 0.154 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -58.4 | -52.6 | 172.3 | 177.2 | -109.3 | 0 | 0 | 0 | 111.9 | M165 W166 L169 I187 T188 T189 Y193 F194 V195 | M165-F191 HydrophobicContact CB-CD2 4.06Å; M165-F191 VanDerWaalsContact CG-CA 3.48Å; M165-F191 HydrophobicContact CG-CB 3.53Å; M165-F191 HydrophobicContact CG-CD2 3.84Å; M165-F191 HydrophobicContact CG-CG 4.18Å; W166-F191 HydrophobicContact CB-CE2 3.94Å; L169-F191 HydrophobicContact CD1-CB 3.47Å; L169-F191 VanDerWaalsContact CD1-CB 3.47Å; L169-F191 HydrophobicContact CD1-CD1 3.33Å; L169-F191 HydrophobicContact CD1-CD2 3.54Å; L169-F191 HydrophobicContact CD1-CE1 3.86Å; L169-F191 HydrophobicContact CD1-CE2 4.06Å; L169-F191 HydrophobicContact CD1-CG 3.14Å; L169-F191 HydrophobicContact CD1-CZ 4.19Å; L169-F191 HydrophobicContact CG-CB 4.3Å; L169-F191 HydrophobicContact CG-CG 4.34Å; I187-F191 WeakPolarHBondContact O-CB 3.35Å; I187-F191 PolarHBondContact O-N 3.18Å; T188-F191 WeakPolarHBondContact O-CB 3.43Å; T188-F191 PolarHBondContact O-N 3.14Å; T189-F191 VanDerWaalsContact C-N 3.32Å; T189-F191 PolarHBondContact O-N 2.95Å; F191-Y193 VanDerWaalsContact C-N 3.25Å; F191-Y193 PolarHBondContact O-N 3.24Å; F191-F194 PolarHBondContact O-N 3.4Å; F191-V195 HydrophobicContact CD1-CG2 4.16Å; F191-V195 HydrophobicContact CD2-CG2 4.32Å; F191-V195 HydrophobicContact CE1-CG2 3.78Å; F191-V195 HydrophobicContact CE2-CG2 3.94Å; F191-V195 HydrophobicContact CG-CG2 4.43Å; F191-V195 HydrophobicContact CZ-CG2 3.66Å; F191-V195 WeakPolarHBondContact O-CG2 3.18Å; F191-V195 PolarHBondContact O-N 2.91Å |
| 192 | N | 92.1 | Very high | 91.3 | Very high | 12 Ų | 12 | 29.5 Ų | 29.5 | 6% | 0.064 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.4 | -37 | 178.5 | -76.5 | -39.3 | 0 | 0 | 0 | 111.7 | T188 T189 V195 V196 I239 W242 | T188-N192 PolarHBondContact O-N 2.9Å; T188-N192 PolarHBondContact O-ND2 2.8Å; T189-N192 PolarHBondContact O-N 3.33Å; N192-V195 PolarHBondContact O-N 2.9Å; N192-V196 WeakPolarHBondContact O-CG2 3.43Å; N192-V196 PolarHBondContact O-N 2.8Å; N192-I239 HydrophobicContact CB-CD1 3.89Å; N192-W242 HydrophobicContact CB-CZ3 4.43Å; N192-W242 WeakPolarHBondContact ND2-CH2 3.17Å |
| 193 | Y | 95.1 | Very high | 91.6 | Very high | 46 Ų | 46 | 26.3 Ų | 26.3 | 18% | 0.18 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -58.4 | -48.4 | 170.1 | 174.6 | -104.2 | 0 | 0 | 0 | 113.3 | T189 I190 F191 V195 V196 T197 W232 P235 F236 | T189-Y193 PolarHBondContact O-N 3.47Å; I190-Y193 WeakPolarHBondContact O-CB 3.33Å; I190-Y193 PolarHBondContact O-N 2.92Å; F191-Y193 VanDerWaalsContact C-N 3.25Å; F191-Y193 PolarHBondContact O-N 3.24Å; Y193-V195 VanDerWaalsContact C-N 3.31Å; Y193-V195 PolarHBondContact O-N 3.12Å; Y193-V196 PolarHBondContact O-N 2.98Å; Y193-T197 WeakPolarHBondContact CE2-OG1 3.25Å; Y193-T197 WeakPolarHBondContact O-CB 3.2Å; Y193-T197 PolarHBondContact O-N 3.3Å; Y193-T197 PolarHBondContact O-OG1 3.44Å; Y193-W232 PolarHBondContact OH-O 3.43Å; Y193-P235 HydrophobicContact CD2-CB 4.18Å; Y193-P235 HydrophobicContact CE2-CB 3.96Å; Y193-F236 HydrophobicContact CE2-CB 3.94Å; Y193-F236 HydrophobicContact CE2-CD2 4.36Å |
| 194 | F | 95.4 | Very high | 92.1 | Very high | 29 Ų | 29 | 21.4 Ų | 21.4 | 13% | 0.127 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -67.8 | -31.2 | 177.4 | -67.1 | -39.9 | 0 | 0 | 0 | 113 | L161 R162 M165 I190 F191 N198 | L161-F194 HydrophobicContact CB-CD1 3.9Å; L161-F194 HydrophobicContact CB-CD2 4Å; L161-F194 HydrophobicContact CB-CE1 4.04Å; L161-F194 HydrophobicContact CB-CE2 4.09Å; L161-F194 HydrophobicContact CB-CG 3.9Å; L161-F194 HydrophobicContact CB-CZ 4.12Å; L161-F194 HydrophobicContact CD1-CD1 4.1Å; L161-F194 HydrophobicContact CD1-CE1 3.7Å; L161-F194 HydrophobicContact CD1-CZ 4.15Å; L161-F194 HydrophobicContact CD2-CE2 4.44Å; L161-F194 HydrophobicContact CD2-CZ 4.12Å; L161-F194 HydrophobicContact CG-CE1 4.3Å; L161-F194 HydrophobicContact CG-CZ 4.36Å; R162-F194 HydrophobicContact CB-CB 4.46Å; M165-F194 HydrophobicContact CB-CD2 4Å; M165-F194 HydrophobicContact CE-CD2 4.27Å; M165-F194 HydrophobicContact CE-CE2 3.85Å; M165-F194 HydrophobicContact CG-CD2 4.31Å; I190-F194 HydrophobicContact CG2-CD2 3.85Å; I190-F194 HydrophobicContact CG2-CE2 3.36Å; I190-F194 HydrophobicContact CG2-CZ 3.88Å; I190-F194 WeakPolarHBondContact O-CD2 3.3Å; I190-F194 PolarHBondContact O-N 2.86Å; F191-F194 PolarHBondContact O-N 3.4Å; F194-N198 WeakPolarHBondContact O-CB 3.46Å; F194-N198 PolarHBondContact O-N 2.95Å |
| 195 | V | 91.9 | Very high | 92.3 | Very high | 21 Ų | 21 | 21.6 Ų | 21.6 | 13% | 0.127 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -64.1 | -54.9 | 172.4 | 171.7 | 0 | 0 | 0 | 0 | 110.9 | R162 F191 N192 Y193 T197 N198 F199 | R162-V195 HydrophobicContact CG-CG2 4.14Å; F191-V195 HydrophobicContact CD1-CG2 4.16Å; F191-V195 HydrophobicContact CD2-CG2 4.32Å; F191-V195 HydrophobicContact CE1-CG2 3.78Å; F191-V195 HydrophobicContact CE2-CG2 3.94Å; F191-V195 HydrophobicContact CG-CG2 4.43Å; F191-V195 HydrophobicContact CZ-CG2 3.66Å; F191-V195 WeakPolarHBondContact O-CG2 3.18Å; F191-V195 PolarHBondContact O-N 2.91Å; N192-V195 PolarHBondContact O-N 2.9Å; Y193-V195 VanDerWaalsContact C-N 3.31Å; Y193-V195 PolarHBondContact O-N 3.12Å; V195-T197 PolarHBondContact O-N 3.36Å; V195-N198 WeakPolarHBondContact O-CB 3.35Å; V195-N198 PolarHBondContact O-N 2.77Å; V195-F199 HydrophobicContact CG1-CD2 4.08Å; V195-F199 HydrophobicContact CG1-CE2 3.71Å; V195-F199 WeakPolarHBondContact O-CD2 3.32Å; V195-F199 PolarHBondContact O-N 2.87Å; V195-F199 VanDerWaalsContact O-N 3.16Å |
| 196 | V | 93.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -60.1 | -47.5 | 178.7 | 177.2 | 0 | 0 | 0 | 0 | 110.2 | N192 Y193 N198 F199 F200 P235 I239 Y268 I272 | N192-V196 WeakPolarHBondContact O-CG2 3.43Å; N192-V196 PolarHBondContact O-N 2.8Å; Y193-V196 PolarHBondContact O-N 2.98Å; V196-N198 VanDerWaalsContact C-N 3.27Å; V196-N198 PolarHBondContact O-N 3.09Å; V196-F199 WeakPolarHBondContact O-CA 3.44Å; V196-F199 WeakPolarHBondContact O-CB 3.44Å; V196-F199 PolarHBondContact O-N 3.34Å; V196-F200 HydrophobicContact CG1-CD2 3.63Å; V196-F200 HydrophobicContact CG1-CE2 3.6Å; V196-F200 WeakPolarHBondContact O-CD2 3.16Å; V196-F200 PolarHBondContact O-N 2.97Å; V196-P235 HydrophobicContact CB-CB 4.26Å; V196-P235 HydrophobicContact CG1-CB 3.73Å; V196-P235 HydrophobicContact CG1-CG 4.22Å; V196-I239 HydrophobicContact CB-CD1 4.49Å; V196-I239 HydrophobicContact CB-CG1 4.43Å; V196-I239 HydrophobicContact CG2-CD1 3.62Å; V196-I239 HydrophobicContact CG2-CG1 4.06Å; V196-Y268 HydrophobicContact CG2-CD2 3.89Å; V196-Y268 HydrophobicContact CG2-CG 4.42Å; V196-I272 HydrophobicContact CG2-CD1 3.89Å; V196-I272 HydrophobicContact CG2-CG1 4.27Å |
| 197 | T | 95.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -56.7 | -40.9 | 177.8 | -62 | 0 | 0 | 0 | 0 | 111.9 | T158 Y193 V195 F199 F200 W201 G231 W232 P235 | T158-T197 HydrophobicContact CG2-CG2 3.79Å; Y193-T197 WeakPolarHBondContact CE2-OG1 3.25Å; Y193-T197 WeakPolarHBondContact O-CB 3.2Å; Y193-T197 PolarHBondContact O-N 3.3Å; Y193-T197 PolarHBondContact O-OG1 3.44Å; V195-T197 PolarHBondContact O-N 3.36Å; T197-F199 PolarHBondContact O-N 3.23Å; T197-F200 PolarHBondContact O-N 3.44Å; T197-W201 VanDerWaalsContact O-CD1 3.26Å; T197-W201 PolarHBondContact O-N 3.18Å; T197-G231 WeakPolarHBondContact CG2-O 3.19Å; T197-W232 HydrophobicContact CG2-CD2 4.22Å; T197-W232 HydrophobicContact CG2-CE3 3.54Å; T197-W232 HydrophobicContact CG2-CH2 4.33Å; T197-W232 HydrophobicContact CG2-CZ3 3.62Å; T197-P235 WeakPolarHBondContact OG1-CB 3.43Å |
| 198 | N | 93.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -61.4 | -42.3 | 175 | -179.4 | -114.7 | 0 | 0 | 0 | 112.1 | T158 F159 R162 F194 V195 V196 W201 M202 | T158-N198 PolarHBondContact OG1-ND2 2.92Å; F159-N198 WeakPolarHBondContact CD1-ND2 3.35Å; F159-N198 WeakPolarHBondContact CE1-ND2 3.47Å; R162-N198 PolarHBondContact NH1-OD1 3.14Å; F194-N198 WeakPolarHBondContact O-CB 3.46Å; F194-N198 PolarHBondContact O-N 2.95Å; V195-N198 WeakPolarHBondContact O-CB 3.35Å; V195-N198 PolarHBondContact O-N 2.77Å; V196-N198 VanDerWaalsContact C-N 3.27Å; V196-N198 PolarHBondContact O-N 3.09Å; N198-W201 PolarHBondContact O-N 3.31Å; N198-M202 WeakPolarHBondContact O-CG 3.31Å; N198-M202 PolarHBondContact O-N 3.33Å |
| 199 | F | 92.4 | Very high | 92.5 | Very high | 8 Ų | 8 | 20.4 Ų | 20.4 | 4% | 0.035 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -62.3 | -43.9 | 173.2 | -74.7 | -71.7 | 0 | 0 | 0 | 113.2 | V195 V196 T197 W201 M202 F203 I272 L276 Y323 | V195-F199 HydrophobicContact CG1-CD2 4.08Å; V195-F199 HydrophobicContact CG1-CE2 3.71Å; V195-F199 WeakPolarHBondContact O-CD2 3.32Å; V195-F199 PolarHBondContact O-N 2.87Å; V195-F199 VanDerWaalsContact O-N 3.16Å; V196-F199 WeakPolarHBondContact O-CA 3.44Å; V196-F199 WeakPolarHBondContact O-CB 3.44Å; V196-F199 PolarHBondContact O-N 3.34Å; T197-F199 PolarHBondContact O-N 3.23Å; F199-W201 VanDerWaalsContact C-N 3.31Å; F199-W201 PolarHBondContact O-N 2.84Å; F199-M202 HydrophobicContact CB-CE 4.31Å; F199-M202 HydrophobicContact CD1-CE 3.3Å; F199-M202 HydrophobicContact CE1-CE 3.73Å; F199-M202 HydrophobicContact CG-CE 3.9Å; F199-M202 PolarHBondContact O-N 3.29Å; F199-F203 PolarHBondContact O-N 3.28Å; F199-I272 HydrophobicContact CB-CG1 4.45Å; F199-I272 HydrophobicContact CD1-CG2 3.99Å; F199-I272 HydrophobicContact CD2-CB 4.43Å; F199-I272 HydrophobicContact CD2-CD1 3.75Å; F199-I272 HydrophobicContact CD2-CG1 3.84Å; F199-I272 HydrophobicContact CD2-CG2 3.73Å; F199-I272 HydrophobicContact CE1-CG2 4.07Å; F199-I272 HydrophobicContact CE2-CD1 3.95Å; F199-I272 HydrophobicContact CE2-CG1 4.41Å; F199-I272 HydrophobicContact CE2-CG2 3.79Å; F199-I272 HydrophobicContact CG-CG1 4.29Å; F199-I272 HydrophobicContact CG-CG2 3.84Å; F199-I272 HydrophobicContact CZ-CG2 3.96Å; F199-L276 HydrophobicContact CD1-CD1 4.26Å; F199-L276 HydrophobicContact CD1-CD2 3.79Å; F199-L276 HydrophobicContact CD1-CG 4.03Å; F199-L276 HydrophobicContact CE1-CD1 3.88Å; F199-L276 HydrophobicContact CE1-CD2 3.8Å; F199-L276 HydrophobicContact CE1-CG 4.09Å; F199-Y323 HydrophobicContact CE1-CD1 4.25Å; F199-Y323 AromaticContact CE1-CD2 3.42Å; F199-Y323 HydrophobicContact CE1-CD2 3.42Å; F199-Y323 VanDerWaalsContact CE1-CD2 3.42Å; F199-Y323 HydrophobicContact CE1-CE1 4.46Å; F199-Y323 AromaticContact CE1-CE2 3.67Å; F199-Y323 HydrophobicContact CE1-CE2 3.67Å; F199-Y323 AromaticContact CE1-CG 3.71Å; F199-Y323 HydrophobicContact CE1-CG 3.71Å; F199-Y323 AromaticContact CZ-CD1 3.67Å; F199-Y323 HydrophobicContact CZ-CD1 3.67Å; F199-Y323 AromaticContact CZ-CD2 3.64Å; F199-Y323 HydrophobicContact CZ-CD2 3.64Å; F199-Y323 AromaticContact CZ-CE1 3.68Å; F199-Y323 HydrophobicContact CZ-CE1 3.68Å; F199-Y323 AromaticContact CZ-CE2 3.63Å; F199-Y323 HydrophobicContact CZ-CE2 3.63Å; F199-Y323 AromaticContact CZ-CG 3.63Å; F199-Y323 HydrophobicContact CZ-CG 3.63Å; F199-Y323 AromaticContact CZ-CZ 3.63Å |
| 200 | F | 94 | Very high | 92.4 | Very high | 14 Ų | 14 | 20.6 Ų | 20.6 | 6% | 0.061 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -64.4 | -35.3 | 176.3 | -86.8 | -96.8 | 0 | 0 | 0 | 112.4 | V196 T197 F203 V204 I230 I234 P235 I238 V275 | V196-F200 HydrophobicContact CG1-CD2 3.63Å; V196-F200 HydrophobicContact CG1-CE2 3.6Å; V196-F200 WeakPolarHBondContact O-CD2 3.16Å; V196-F200 PolarHBondContact O-N 2.97Å; T197-F200 PolarHBondContact O-N 3.44Å; F200-F203 WeakPolarHBondContact O-CB 3.15Å; F200-F203 PolarHBondContact O-N 3.43Å; F200-V204 WeakPolarHBondContact O-CG2 3.2Å; F200-V204 PolarHBondContact O-N 3.38Å; F200-I230 HydrophobicContact CD1-CG2 4.41Å; F200-I234 HydrophobicContact CD1-CB 4.31Å; F200-I234 HydrophobicContact CD1-CG2 4.2Å; F200-I234 HydrophobicContact CE1-CB 4Å; F200-I234 HydrophobicContact CE1-CG2 3.42Å; F200-I234 VanDerWaalsContact CE1-CG2 3.42Å; F200-I234 HydrophobicContact CZ-CG2 3.72Å; F200-P235 HydrophobicContact CB-CG 3.94Å; F200-P235 HydrophobicContact CD2-CG 3.83Å; F200-P235 HydrophobicContact CE2-CG 4.47Å; F200-P235 HydrophobicContact CG-CG 3.83Å; F200-I238 HydrophobicContact CE2-CD1 4Å; F200-I238 HydrophobicContact CZ-CD1 3.79Å; F200-V275 HydrophobicContact CE1-CG2 4.3Å; F200-V275 HydrophobicContact CE2-CG2 4.41Å; F200-V275 HydrophobicContact CZ-CG2 4.18Å |
| 201 | W | 94.5 | Very high | 92.2 | Very high | 2 Ų | 2 | 18.3 Ų | 18.3 | 1% | 0.008 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -70.8 | -36.4 | 174.1 | -86.7 | 98.2 | 0 | 0 | 0 | 113.2 | I151 N154 L155 T158 T197 N198 F199 F203 V204 E205 L228 G231 W232 | I151-W201 HydrophobicContact CG2-CZ3 4.35Å; N154-W201 HydrophobicContact CB-CD2 3.74Å; N154-W201 HydrophobicContact CB-CE3 3.58Å; N154-W201 HydrophobicContact CB-CH2 3.3Å; N154-W201 HydrophobicContact CB-CZ2 3.45Å; N154-W201 VanDerWaalsContact CB-CZ2 3.45Å; N154-W201 HydrophobicContact CB-CZ3 3.36Å; N154-W201 VanDerWaalsContact CG-CH2 3.42Å; L155-W201 HydrophobicContact CD1-CB 3.78Å; T158-W201 HydrophobicContact CG2-CB 4.17Å; T158-W201 HydrophobicContact CG2-CG 3.78Å; T197-W201 VanDerWaalsContact O-CD1 3.26Å; T197-W201 PolarHBondContact O-N 3.18Å; N198-W201 PolarHBondContact O-N 3.31Å; F199-W201 VanDerWaalsContact C-N 3.31Å; F199-W201 PolarHBondContact O-N 2.84Å; W201-F203 VanDerWaalsContact C-N 3.27Å; W201-F203 PolarHBondContact O-N 3.02Å; W201-V204 HydrophobicContact CE3-CB 4.25Å; W201-V204 HydrophobicContact CE3-CG1 4.01Å; W201-V204 HydrophobicContact CZ3-CG1 3.83Å; W201-V204 PolarHBondContact O-N 2.86Å; W201-E205 WeakPolarHBondContact O-CB 3.35Å; W201-E205 PolarHBondContact O-N 3.46Å; W201-L228 HydrophobicContact CH2-CD2 3.86Å; W201-L228 HydrophobicContact CZ2-CD2 4.09Å; W201-G231 PolarHBondContact NE1-O 2.96Å; W201-W232 AromaticContact CE2-CD1 3.91Å; W201-W232 AromaticContact CE2-NE1 3.59Å; W201-W232 AromaticContact CZ2-CD1 3.45Å; W201-W232 VanDerWaalsContact CZ2-CD1 3.45Å; W201-W232 HydrophobicContact CZ2-CG 4.35Å; W201-W232 AromaticContact CZ2-NE1 3.26Å; W201-W232 VanDerWaalsContact CZ2-NE1 3.26Å; W201-W232 AromaticContact NE1-CD1 3.75Å; W201-W232 AromaticContact NE1-CD2 3.72Å; W201-W232 AromaticContact NE1-CE2 3.47Å; W201-W232 AromaticContact NE1-CG 3.88Å; W201-W232 AromaticContact NE1-CZ2 3.98Å; W201-W232 AromaticContact NE1-NE1 3.48Å |
| 202 | M | 90.8 | Very high | 92 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -61.2 | -38.7 | 169.6 | -71.7 | -174.3 | -72.9 | 0 | 0 | 111.1 | L155 F159 N198 F199 E205 G206 Q351 | L155-M202 HydrophobicContact CD1-CG 3.78Å; F159-M202 HydrophobicContact CZ-SD 4.16Å; N198-M202 WeakPolarHBondContact O-CG 3.31Å; N198-M202 PolarHBondContact O-N 3.33Å; F199-M202 HydrophobicContact CB-CE 4.31Å; F199-M202 HydrophobicContact CD1-CE 3.3Å; F199-M202 HydrophobicContact CE1-CE 3.73Å; F199-M202 HydrophobicContact CG-CE 3.9Å; F199-M202 PolarHBondContact O-N 3.29Å; M202-E205 PolarHBondContact O-N 3.31Å; M202-G206 PolarHBondContact O-N 3.33Å; M202-Q351 PolarHBondContact SD-NE2 3.43Å |
| 203 | F | 91.8 | Very high | 91.7 | Very high | 38 Ų | 38 | 19.5 Ų | 19.5 | 17% | 0.167 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -65.4 | -46.6 | 173.4 | 171.6 | -105.9 | 0 | 0 | 0 | 114.4 | F199 F200 W201 E205 G206 C207 I230 V275 I278 N279 F282 | F199-F203 PolarHBondContact O-N 3.28Å; F200-F203 WeakPolarHBondContact O-CB 3.15Å; F200-F203 PolarHBondContact O-N 3.43Å; W201-F203 VanDerWaalsContact C-N 3.27Å; W201-F203 PolarHBondContact O-N 3.02Å; F203-E205 PolarHBondContact O-N 3.31Å; F203-G206 PolarHBondContact O-N 3.27Å; F203-C207 VanDerWaalsContact O-CB 3.23Å; F203-C207 WeakPolarHBondContact O-CB 3.38Å; F203-C207 PolarHBondContact O-N 3.45Å; F203-I230 HydrophobicContact CD1-CG2 4.3Å; F203-I230 HydrophobicContact CE1-CG2 4.32Å; F203-V275 HydrophobicContact CB-CG1 3.48Å; F203-V275 VanDerWaalsContact CB-CG1 3.48Å; F203-V275 HydrophobicContact CD2-CG1 4.25Å; F203-V275 HydrophobicContact CG-CG1 4.01Å; F203-I278 HydrophobicContact CD2-CG2 4.43Å; F203-I278 HydrophobicContact CE2-CB 4.33Å; F203-I278 HydrophobicContact CE2-CG2 3.76Å; F203-N279 WeakPolarHBondContact CA-OD1 3.39Å; F203-F282 HydrophobicContact CD2-CE2 4.32Å; F203-F282 AromaticContact CE2-CE2 3.79Å; F203-F282 HydrophobicContact CE2-CE2 3.79Å; F203-F282 HydrophobicContact CE2-CZ 4.45Å |
| 204 | V | 92.9 | Very high | 91.4 | Very high | 2 Ų | 2 | 20.7 Ų | 20.7 | 1% | 0.012 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -55.7 | -41.6 | 175.3 | 162.3 | 0 | 0 | 0 | 0 | 110.3 | I151 F200 W201 Y208 F227 I230 | I151-V204 HydrophobicContact CG2-CG1 4.17Å; F200-V204 WeakPolarHBondContact O-CG2 3.2Å; F200-V204 PolarHBondContact O-N 3.38Å; W201-V204 HydrophobicContact CE3-CB 4.25Å; W201-V204 HydrophobicContact CE3-CG1 4.01Å; W201-V204 HydrophobicContact CZ3-CG1 3.83Å; W201-V204 PolarHBondContact O-N 2.86Å; V204-Y208 VanDerWaalsContact O-CB 3.25Å; V204-Y208 WeakPolarHBondContact O-CB 3.23Å; V204-Y208 PolarHBondContact O-N 3.47Å; V204-F227 HydrophobicContact CG1-CB 3.88Å; V204-F227 HydrophobicContact CG1-CD1 3.67Å; V204-F227 HydrophobicContact CG1-CG 4.07Å; V204-I230 HydrophobicContact CG2-CB 4.02Å; V204-I230 HydrophobicContact CG2-CG2 3.57Å |
| 205 | E | 90.8 | Very high | 90.9 | Very high | 6 Ų | 6 | 24.5 Ų | 24.5 | 3% | 0.028 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -66.3 | -47.5 | 175.5 | -177.7 | 169.3 | -109.5 | 0 | 0 | 113 | I151 H152 L155 W201 M202 F203 C207 Y208 L209 Y359 | I151-E205 HydrophobicContact CG2-CB 4.1Å; H152-E205 IonicContact CE1-OE1 3.96Å; H152-E205 PolarHBondContact CE1-OE1 3.24Å; H152-E205 IonicContact CG-OE1 2.95Å; H152-E205 IonicContact ND1-OE1 3.1Å; H152-E205 PolarHBondContact ND1-OE1 3.44Å; L155-E205 VanDerWaalsContact CD2-CD 3.47Å; L155-E205 WeakPolarHBondContact CD2-OE2 3.39Å; W201-E205 WeakPolarHBondContact O-CB 3.35Å; W201-E205 PolarHBondContact O-N 3.46Å; M202-E205 PolarHBondContact O-N 3.31Å; F203-E205 PolarHBondContact O-N 3.31Å; E205-C207 PolarHBondContact O-N 2.96Å; E205-Y208 PolarHBondContact O-N 2.89Å; E205-L209 WeakPolarHBondContact O-CB 3.48Å; E205-L209 PolarHBondContact O-N 3.46Å; E205-Y359 VanDerWaalsContact CD-CE2 3.4Å; E205-Y359 VanDerWaalsContact CD-CZ 3.46Å; E205-Y359 WeakPolarHBondContact OE1-CE2 3.23Å; E205-Y359 PolarHBondContact OE1-OH 2.94Å; E205-Y359 VanDerWaalsContact OE1-OH 3.09Å; E205-Y359 WeakPolarHBondContact OE2-CE2 2.99Å; E205-Y359 PolarHBondContact OE2-OH 3.31Å |
| 206 | G | 90.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59 | -44.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | M202 F203 L209 H210 | M202-G206 PolarHBondContact O-N 3.33Å; F203-G206 PolarHBondContact O-N 3.27Å; G206-L209 PolarHBondContact O-N 3.38Å; G206-H210 VanDerWaalsContact O-CB 3.31Å; G206-H210 WeakPolarHBondContact O-CB 3.33Å; G206-H210 PolarHBondContact O-N 3.18Å |
| 207 | C | 90.8 | Very high | 89.1 | Confident | 33 Ų | 33 | 38.1 Ų | 38.1 | 22% | 0.223 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.5 | -44.4 | 176.3 | -177.6 | 0 | 0 | 0 | 0 | 111.9 | F203 E205 T211 F282 | F203-C207 VanDerWaalsContact O-CB 3.23Å; F203-C207 WeakPolarHBondContact O-CB 3.38Å; F203-C207 PolarHBondContact O-N 3.45Å; E205-C207 PolarHBondContact O-N 2.96Å; C207-T211 VanDerWaalsContact O-CB 3.31Å; C207-T211 WeakPolarHBondContact O-CB 3.48Å; C207-T211 PolarHBondContact O-N 3.08Å; C207-T211 PolarHBondContact O-OG1 2.96Å; C207-F282 HydrophobicContact CB-CE2 3.92Å |
| 208 | Y | 90.3 | Very high | 88.2 | Confident | 29 Ų | 29 | 40.1 Ų | 40.1 | 11% | 0.114 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.1 | -47.1 | 175.6 | 172.5 | -103 | 0 | 0 | 0 | 111.5 | L147 R148 I151 V204 E205 T211 A212 F227 | L147-Y208 HydrophobicContact CD2-CD2 4.47Å; L147-Y208 HydrophobicContact CD2-CE2 3.83Å; L147-Y208 HydrophobicContact CG-CE2 4.09Å; R148-Y208 HydrophobicContact CB-CE1 3.87Å; R148-Y208 HydrophobicContact CG-CE1 4.07Å; I151-Y208 HydrophobicContact CD1-CD1 3.86Å; I151-Y208 HydrophobicContact CD1-CD2 3.63Å; I151-Y208 HydrophobicContact CD1-CE1 4.37Å; I151-Y208 HydrophobicContact CD1-CE2 4.18Å; I151-Y208 HydrophobicContact CD1-CG 3.46Å; I151-Y208 VanDerWaalsContact CD1-CG 3.46Å; V204-Y208 VanDerWaalsContact O-CB 3.25Å; V204-Y208 WeakPolarHBondContact O-CB 3.23Å; V204-Y208 PolarHBondContact O-N 3.47Å; E205-Y208 PolarHBondContact O-N 2.89Å; Y208-T211 PolarHBondContact O-N 3.37Å; Y208-A212 VanDerWaalsContact O-CB 3.3Å; Y208-A212 WeakPolarHBondContact O-CB 3.48Å; Y208-A212 PolarHBondContact O-N 2.95Å; Y208-F227 HydrophobicContact CD2-CE2 4.42Å; Y208-F227 HydrophobicContact CD2-CZ 4.37Å |
| 209 | L | 88.5 | Confident | 87.2 | Confident | 50 Ų | 50 | 41.5 Ų | 41.5 | 26% | 0.262 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -64 | -45.3 | 179.8 | -177.7 | 61.6 | 0 | 0 | 0 | 111.6 | E205 G206 A212 I213 I286 L315 | E205-L209 WeakPolarHBondContact O-CB 3.48Å; E205-L209 PolarHBondContact O-N 3.46Å; G206-L209 PolarHBondContact O-N 3.38Å; L209-A212 PolarHBondContact O-N 3.09Å; L209-I213 HydrophobicContact CD1-CD1 3.88Å; L209-I213 HydrophobicContact CD1-CG1 4.42Å; L209-I213 HydrophobicContact CG-CD1 4.03Å; L209-I213 WeakPolarHBondContact O-CG1 3.45Å; L209-I213 PolarHBondContact O-N 3.03Å; L209-I213 VanDerWaalsContact O-N 3.09Å; L209-I286 HydrophobicContact CB-CD1 4.23Å; L209-I286 HydrophobicContact CD2-CD1 3.87Å; L209-I286 HydrophobicContact CD2-CG2 4.49Å; L209-I286 HydrophobicContact CG-CD1 3.85Å; L209-L315 HydrophobicContact CD2-CD2 3.83Å |
| 210 | H | 89 | Confident | 86.1 | Confident | 35 Ų | 35 | 49.9 Ų | 49.9 | 16% | 0.162 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.7 | -48.2 | 176.2 | -178.8 | -94.2 | 0 | 0 | 0 | 111.1 | G206 A212 I213 V214 F282 I286 | G206-H210 VanDerWaalsContact O-CB 3.31Å; G206-H210 WeakPolarHBondContact O-CB 3.33Å; G206-H210 PolarHBondContact O-N 3.18Å; H210-A212 PolarHBondContact O-N 3.21Å; H210-I213 PolarHBondContact O-N 3.21Å; H210-V214 WeakPolarHBondContact O-CB 3.49Å; H210-V214 WeakPolarHBondContact O-CG2 3.25Å; H210-V214 PolarHBondContact O-N 3.28Å; H210-F282 HydrophobicContact CB-CB 4.33Å; H210-F282 HydrophobicContact CB-CD1 4.19Å; H210-F282 HydrophobicContact CB-CG 4.14Å; H210-F282 AromaticContact CD2-CD1 3.83Å; H210-F282 AromaticContact CG-CD1 3.79Å; H210-I286 HydrophobicContact CB-CD1 4.11Å; H210-I286 HydrophobicContact CB-CG1 4.35Å |
| 211 | T | 89.4 | Confident | 84.9 | Confident | 25 Ų | 25 | 59.4 Ų | 59.4 | 15% | 0.153 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64 | -40.5 | 179.6 | -54.9 | 0 | 0 | 0 | 0 | 111.9 | C207 Y208 I213 M215 L222 | C207-T211 VanDerWaalsContact O-CB 3.31Å; C207-T211 WeakPolarHBondContact O-CB 3.48Å; C207-T211 PolarHBondContact O-N 3.08Å; C207-T211 PolarHBondContact O-OG1 2.96Å; Y208-T211 PolarHBondContact O-N 3.37Å; T211-I213 VanDerWaalsContact C-N 3.29Å; T211-I213 PolarHBondContact O-N 3.44Å; T211-M215 HydrophobicContact CG2-CB 4.38Å; T211-M215 CarbonylContact O-C 3.58Å; T211-M215 WeakPolarHBondContact O-CA 3.44Å; T211-M215 PolarHBondContact O-N 2.9Å; T211-L222 HydrophobicContact CG2-CD1 3.9Å |
| 212 | A | 88.6 | Confident | 83.9 | Confident | 25 Ų | 25 | 61.4 Ų | 61.4 | 21% | 0.207 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.5 | -32.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y208 L209 H210 T219 | Y208-A212 VanDerWaalsContact O-CB 3.3Å; Y208-A212 WeakPolarHBondContact O-CB 3.48Å; Y208-A212 PolarHBondContact O-N 2.95Å; L209-A212 PolarHBondContact O-N 3.09Å; H210-A212 PolarHBondContact O-N 3.21Å; A212-T219 HydrophobicContact CB-CG2 3.86Å |
| 213 | I | 87 | Confident | 83.4 | Confident | 47 Ų | 47 | 71.1 Ų | 71.1 | 24% | 0.241 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -81.5 | -39.6 | 179.8 | -70.5 | 172.2 | 0 | 0 | 0 | 112 | L209 H210 T211 I286 I289 | L209-I213 HydrophobicContact CD1-CD1 3.88Å; L209-I213 HydrophobicContact CD1-CG1 4.42Å; L209-I213 HydrophobicContact CG-CD1 4.03Å; L209-I213 WeakPolarHBondContact O-CG1 3.45Å; L209-I213 PolarHBondContact O-N 3.03Å; L209-I213 VanDerWaalsContact O-N 3.09Å; H210-I213 PolarHBondContact O-N 3.21Å; T211-I213 VanDerWaalsContact C-N 3.29Å; T211-I213 PolarHBondContact O-N 3.44Å; I213-I286 HydrophobicContact CD1-CB 4.46Å; I213-I286 HydrophobicContact CD1-CG1 4.16Å; I213-I286 HydrophobicContact CD1-CG2 3.74Å; I213-I289 HydrophobicContact CG2-CB 4.1Å; I213-I289 HydrophobicContact CG2-CD1 3.99Å; I213-I289 HydrophobicContact CG2-CG2 3.56Å |
| 214 | V | 87.9 | Confident | 82.8 | Confident | 71 Ų | 71 | 75.1 Ų | 75.1 | 43% | 0.43 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -84.4 | -42.8 | -176.8 | 176.9 | 0 | 0 | 0 | 0 | 111.8 | H210 I289 | H210-V214 WeakPolarHBondContact O-CB 3.49Å; H210-V214 WeakPolarHBondContact O-CG2 3.25Å; H210-V214 PolarHBondContact O-N 3.28Å; V214-I289 HydrophobicContact CG2-CD1 3.74Å |
| 215 | M | 84.5 | Confident | 82.5 | Confident | 109 Ų | 109 | 79.5 Ų | 79.5 | 54% | 0.537 | 38% | 0.384 | S | S | . | . | trans | -123.2 | 65.6 | -173.6 | -56.8 | -173.7 | -159.3 | 0 | 0 | 110.9 | T211 Y217 S218 | T211-M215 HydrophobicContact CG2-CB 4.38Å; T211-M215 CarbonylContact O-C 3.58Å; T211-M215 WeakPolarHBondContact O-CA 3.44Å; T211-M215 PolarHBondContact O-N 2.9Å; M215-Y217 PolarHBondContact O-N 2.94Å; M215-S218 PolarHBondContact O-N 2.87Å | ||
| 216 | T | 76.7 | Confident | 82.4 | Confident | 91 Ų | 91 | 83.6 Ų | 83.6 | 56% | 0.558 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.4 | -35.7 | -177.4 | -45 | 0 | 0 | 0 | 0 | 113.5 | T219 | T216-T219 PolarHBondContact O-OG1 3.47Š|
| 217 | Y | 72.6 | Confident | 82.4 | Confident | 216 Ų | 216 | 84.2 Ų | 84.2 | 85% | 0.847 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -18.3 | -178.6 | -63.9 | -76.9 | 0 | 0 | 0 | 114.6 | M215 | M215-Y217 PolarHBondContact O-N 2.94Š|
| 218 | S | 75.8 | Confident | 82.4 | Confident | 41 Ų | 41 | 85.9 Ų | 85.9 | 29% | 0.287 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -20.3 | -173.8 | -165.4 | 0 | 0 | 0 | 0 | 113 | M215 E220 R221 | M215-S218 PolarHBondContact O-N 2.87Å; S218-E220 PolarHBondContact O-N 3.09Å; S218-E220 VanDerWaalsContact O-N 3.1Å; S218-R221 PolarHBondContact O-N 3.43Å |
| 219 | T | 72.5 | Confident | 82.5 | Confident | 29 Ų | 29 | 90 Ų | 90 | 18% | 0.178 | 43% | 0.433 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -26.3 | -173.1 | 51.3 | 0 | 0 | 0 | 0 | 114.1 | A212 T216 R221 L222 | A212-T219 HydrophobicContact CB-CG2 3.86Å; T216-T219 PolarHBondContact O-OG1 3.47Å; T219-R221 VanDerWaalsContact C-N 3.32Å; T219-L222 PolarHBondContact O-N 3.25Å |
| 220 | E | 69.4 | Low | 82.7 | Confident | 185 Ų | 185 | 89.2 Ų | 89.2 | 86% | 0.864 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -25.8 | 177.2 | -61.7 | -168.2 | 159.7 | 0 | 0 | 113 | S218 L222 | S218-E220 PolarHBondContact O-N 3.09Å; S218-E220 VanDerWaalsContact O-N 3.1Å; E220-L222 VanDerWaalsContact C-N 3.34Å |
| 221 | R | 69.3 | Low | 82.9 | Confident | 214 Ų | 214 | 87.5 Ų | 87.5 | 81% | 0.808 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -16.1 | 178.2 | -63.8 | -176.6 | -177.2 | 177.7 | 0.9 | 112.8 | S218 T219 R223 | S218-R221 PolarHBondContact O-N 3.43Å; T219-R221 VanDerWaalsContact C-N 3.32Å; R221-R223 PolarHBondContact O-N 3.22Å |
| 222 | L | 74.2 | Confident | 83.2 | Confident | 43 Ų | 43 | 89.2 Ų | 89.2 | 23% | 0.225 | 43% | 0.425 | C | S | . | . | S | Bend | trans | -71.9 | 112.2 | -178.3 | -61.6 | 174.7 | 0 | 0 | 0 | 110 | T211 T219 E220 K224 F227 | T211-L222 HydrophobicContact CG2-CD1 3.9Å; T219-L222 PolarHBondContact O-N 3.25Å; E220-L222 VanDerWaalsContact C-N 3.34Å; L222-K224 PolarHBondContact O-N 3.48Å; L222-F227 HydrophobicContact CB-CE2 3.83Å; L222-F227 HydrophobicContact CB-CZ 4.33Å; L222-F227 HydrophobicContact CD1-CE2 4.11Å; L222-F227 HydrophobicContact CD1-CZ 3.86Å |
| 223 | R | 79.5 | Confident | 83.4 | Confident | 205 Ų | 205 | 90.9 Ų | 90.9 | 77% | 0.774 | 43% | 0.434 | S | S | * | . | trans | -67.7 | 124.6 | 179.2 | -64.1 | -177.5 | -178.1 | -175.5 | 0.6 | 109.5 | R221 C225 L226 | R221-R223 PolarHBondContact O-N 3.22Å; R223-C225 PolarHBondContact O-N 2.61Å; R223-C225 VanDerWaalsContact O-N 3.09Å; R223-L226 WeakPolarHBondContact O-CB 3.41Å; R223-L226 PolarHBondContact O-N 2.68Å | ||
| 224 | K | 79.5 | Confident | 83.7 | Confident | 122 Ų | 122 | 91.4 Ų | 91.4 | 53% | 0.53 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -52.2 | -35.4 | 176.7 | -48.8 | -169.4 | 179.9 | 165.7 | 0 | 112.9 | L147 L222 L226 F227 L228 | L147-K224 HydrophobicContact CD1-CB 4.3Å; L147-K224 HydrophobicContact CD1-CD 4.19Å; L147-K224 HydrophobicContact CD1-CG 3.81Å; L222-K224 PolarHBondContact O-N 3.48Å; K224-L226 VanDerWaalsContact C-N 3.28Å; K224-L226 PolarHBondContact O-N 3Å; K224-F227 PolarHBondContact O-N 3.25Å; K224-L228 PolarHBondContact O-N 2.79Å |
| 225 | C | 86 | Confident | 84.1 | Confident | 93 Ų | 93 | 88 Ų | 88 | 63% | 0.628 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -59.3 | -36.7 | 178.1 | -170.4 | 0 | 0 | 0 | 0 | 112.6 | R223 F227 L228 F229 | R223-C225 PolarHBondContact O-N 2.61Å; R223-C225 VanDerWaalsContact O-N 3.09Å; C225-F227 PolarHBondContact O-N 2.92Å; C225-L228 PolarHBondContact O-N 2.89Å; C225-F229 WeakPolarHBondContact O-CB 3.36Å; C225-F229 PolarHBondContact O-N 3.15Å |
| 226 | L | 89.9 | Confident | 84.6 | Confident | 93 Ų | 93 | 88.7 Ų | 88.7 | 49% | 0.487 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61.9 | -46.5 | -179.8 | -178.3 | 66.9 | 0 | 0 | 0 | 111.3 | R223 K224 F229 I230 | R223-L226 WeakPolarHBondContact O-CB 3.41Å; R223-L226 PolarHBondContact O-N 2.68Å; K224-L226 VanDerWaalsContact C-N 3.28Å; K224-L226 PolarHBondContact O-N 3Å; L226-F229 PolarHBondContact O-N 3.42Å; L226-I230 HydrophobicContact CD1-CD1 4.21Å; L226-I230 HydrophobicContact CG-CD1 3.94Å; L226-I230 VanDerWaalsContact O-CG1 3.28Å; L226-I230 WeakPolarHBondContact O-CG1 3.43Å; L226-I230 PolarHBondContact O-N 3.3Å |
| 227 | F | 90.2 | Very high | 85.5 | Confident | 12 Ų | 12 | 87.9 Ų | 87.9 | 5% | 0.053 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -66.2 | -38.6 | 178.9 | -69.1 | -59.4 | 0 | 0 | 0 | 112.8 | V204 Y208 L222 K224 C225 F229 I230 G231 | V204-F227 HydrophobicContact CG1-CB 3.88Å; V204-F227 HydrophobicContact CG1-CD1 3.67Å; V204-F227 HydrophobicContact CG1-CG 4.07Å; Y208-F227 HydrophobicContact CD2-CE2 4.42Å; Y208-F227 HydrophobicContact CD2-CZ 4.37Å; L222-F227 HydrophobicContact CB-CE2 3.83Å; L222-F227 HydrophobicContact CB-CZ 4.33Å; L222-F227 HydrophobicContact CD1-CE2 4.11Å; L222-F227 HydrophobicContact CD1-CZ 3.86Å; K224-F227 PolarHBondContact O-N 3.25Å; C225-F227 PolarHBondContact O-N 2.92Å; F227-F229 VanDerWaalsContact C-N 3.34Å; F227-I230 PolarHBondContact O-N 3.1Å; F227-G231 PolarHBondContact O-N 2.97Å |
| 228 | L | 89.9 | Confident | 86.5 | Confident | 68 Ų | 68 | 79 Ų | 79 | 36% | 0.356 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -63.8 | -41.5 | 175.3 | -71.1 | 166.8 | 0 | 0 | 0 | 111.6 | W201 K224 C225 G231 W232 | W201-L228 HydrophobicContact CH2-CD2 3.86Å; W201-L228 HydrophobicContact CZ2-CD2 4.09Å; K224-L228 PolarHBondContact O-N 2.79Å; C225-L228 PolarHBondContact O-N 2.89Å; L228-G231 PolarHBondContact O-N 3.06Å; L228-W232 PolarHBondContact O-N 3.06Å |
| 229 | F | 92.4 | Very high | 87.4 | Confident | 115 Ų | 115 | 77.3 Ų | 77.3 | 50% | 0.504 | 37% | 0.367 | S | S | . | . | I | π-helix | trans | -64.4 | -46.2 | 176.6 | -176 | -93.9 | 0 | 0 | 0 | 111.7 | C225 L226 F227 G231 C233 I234 | C225-F229 WeakPolarHBondContact O-CB 3.36Å; C225-F229 PolarHBondContact O-N 3.15Å; L226-F229 PolarHBondContact O-N 3.42Å; F227-F229 VanDerWaalsContact C-N 3.34Å; F229-G231 VanDerWaalsContact C-N 3.33Å; F229-G231 PolarHBondContact O-N 3.17Å; F229-C233 HydrophobicContact CD2-CB 3.56Å; F229-C233 HydrophobicContact CE2-CB 3.58Å; F229-C233 HydrophobicContact CG-CB 4.06Å; F229-C233 HydrophobicContact CZ-CB 4.08Å; F229-C233 WeakPolarHBondContact O-CA 3.34Å; F229-C233 VanDerWaalsContact O-CB 3.24Å; F229-C233 WeakPolarHBondContact O-CB 2.92Å; F229-C233 PolarHBondContact O-N 2.9Å; F229-I234 HydrophobicContact CE1-CG1 4.36Å; F229-I234 PolarHBondContact O-N 3.05Å |
| 230 | I | 93.1 | Very high | 88.4 | Confident | 34 Ų | 34 | 78.7 Ų | 78.7 | 17% | 0.174 | 38% | 0.375 | C | S | . | . | I | π-helix | trans | -60.8 | -44.4 | 177.3 | -68 | 166.4 | 0 | 0 | 0 | 111 | F200 F203 V204 L226 F227 I234 | F200-I230 HydrophobicContact CD1-CG2 4.41Å; F203-I230 HydrophobicContact CD1-CG2 4.3Å; F203-I230 HydrophobicContact CE1-CG2 4.32Å; V204-I230 HydrophobicContact CG2-CB 4.02Å; V204-I230 HydrophobicContact CG2-CG2 3.57Å; L226-I230 HydrophobicContact CD1-CD1 4.21Å; L226-I230 HydrophobicContact CG-CD1 3.94Å; L226-I230 VanDerWaalsContact O-CG1 3.28Å; L226-I230 WeakPolarHBondContact O-CG1 3.43Å; L226-I230 PolarHBondContact O-N 3.3Å; F227-I230 PolarHBondContact O-N 3.1Å; I230-I234 HydrophobicContact CB-CD1 4.13Å; I230-I234 HydrophobicContact CG1-CD1 4Å; I230-I234 HydrophobicContact CG2-CD1 4.11Å |
| 231 | G | 93.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 35% | 0.353 | C | S | . | . | I | π-helix | trans | -69.9 | -42.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | T197 W201 F227 L228 F229 P235 | T197-G231 WeakPolarHBondContact CG2-O 3.19Å; W201-G231 PolarHBondContact NE1-O 2.96Å; F227-G231 PolarHBondContact O-N 2.97Å; L228-G231 PolarHBondContact O-N 3.06Å; F229-G231 VanDerWaalsContact C-N 3.33Å; F229-G231 PolarHBondContact O-N 3.17Å; G231-P235 WeakPolarHBondContact O-CG 3.25Å |
| 232 | W | 94.6 | Very high | 90.6 | Very high | 60 Ų | 60 | 62.1 Ų | 62.1 | 23% | 0.227 | 32% | 0.315 | C | S | . | . | I | π-helix | trans | -104.9 | -39.1 | -173.4 | -67.8 | 110.2 | 0 | 0 | 0 | 114.3 | N154 T158 L161 Y193 T197 W201 L228 | N154-W232 PolarHBondContact OD1-NE1 2.9Å; T158-W232 HydrophobicContact CG2-CH2 3.93Å; T158-W232 HydrophobicContact CG2-CZ2 4.17Å; T158-W232 HydrophobicContact CG2-CZ3 4.48Å; L161-W232 HydrophobicContact CD1-CH2 3.85Å; L161-W232 HydrophobicContact CD1-CZ3 4.31Å; Y193-W232 PolarHBondContact OH-O 3.43Å; T197-W232 HydrophobicContact CG2-CD2 4.22Å; T197-W232 HydrophobicContact CG2-CE3 3.54Å; T197-W232 HydrophobicContact CG2-CH2 4.33Å; T197-W232 HydrophobicContact CG2-CZ3 3.62Å; W201-W232 AromaticContact CE2-CD1 3.91Å; W201-W232 AromaticContact CE2-NE1 3.59Å; W201-W232 AromaticContact CZ2-CD1 3.45Å; W201-W232 VanDerWaalsContact CZ2-CD1 3.45Å; W201-W232 HydrophobicContact CZ2-CG 4.35Å; W201-W232 AromaticContact CZ2-NE1 3.26Å; W201-W232 VanDerWaalsContact CZ2-NE1 3.26Å; W201-W232 AromaticContact NE1-CD1 3.75Å; W201-W232 AromaticContact NE1-CD2 3.72Å; W201-W232 AromaticContact NE1-CE2 3.47Å; W201-W232 AromaticContact NE1-CG 3.88Å; W201-W232 AromaticContact NE1-CZ2 3.98Å; W201-W232 AromaticContact NE1-NE1 3.48Å; L228-W232 PolarHBondContact O-N 3.06Å |
| 233 | C | 94.1 | Very high | 91.3 | Very high | 60 Ų | 60 | 60.8 Ų | 60.8 | 41% | 0.405 | 31% | 0.311 | S | S | . | . | I | π-helix | trans | -86.3 | -30.7 | -170.2 | -58 | 0 | 0 | 0 | 0 | 113.3 | F229 P237 | F229-C233 HydrophobicContact CD2-CB 3.56Å; F229-C233 HydrophobicContact CE2-CB 3.58Å; F229-C233 HydrophobicContact CG-CB 4.06Å; F229-C233 HydrophobicContact CZ-CB 4.08Å; F229-C233 WeakPolarHBondContact O-CA 3.34Å; F229-C233 VanDerWaalsContact O-CB 3.24Å; F229-C233 WeakPolarHBondContact O-CB 2.92Å; F229-C233 PolarHBondContact O-N 2.9Å; C233-P237 WeakPolarHBondContact O-CD 3.21Å |
| 234 | I | 93.7 | Very high | 91.8 | Very high | 58 Ų | 58 | 55.1 Ų | 55.1 | 30% | 0.297 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -41 | 178.2 | -60.7 | -179.6 | 0 | 0 | 0 | 113 | F200 F229 I230 F236 P237 I238 | F200-I234 HydrophobicContact CD1-CB 4.31Å; F200-I234 HydrophobicContact CD1-CG2 4.2Å; F200-I234 HydrophobicContact CE1-CB 4Å; F200-I234 HydrophobicContact CE1-CG2 3.42Å; F200-I234 VanDerWaalsContact CE1-CG2 3.42Å; F200-I234 HydrophobicContact CZ-CG2 3.72Å; F229-I234 HydrophobicContact CE1-CG1 4.36Å; F229-I234 PolarHBondContact O-N 3.05Å; I230-I234 HydrophobicContact CB-CD1 4.13Å; I230-I234 HydrophobicContact CG1-CD1 4Å; I230-I234 HydrophobicContact CG2-CD1 4.11Å; I234-F236 VanDerWaalsContact C-N 3.27Å; I234-F236 PolarHBondContact O-N 3.19Å; I234-P237 VanDerWaalsContact O-CD 3.24Å; I234-P237 WeakPolarHBondContact O-CD 3.41Å; I234-P237 WeakPolarHBondContact O-CG 3.33Å; I234-I238 HydrophobicContact CG2-CD1 4.1Å; I234-I238 WeakPolarHBondContact O-CG1 3.41Å |
| 235 | P | 95.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.7 | -32.7 | 175.4 | -29.4 | 37 | 0 | 0 | 0 | 114.8 | Y193 V196 T197 F200 G231 I238 I239 | Y193-P235 HydrophobicContact CD2-CB 4.18Å; Y193-P235 HydrophobicContact CE2-CB 3.96Å; V196-P235 HydrophobicContact CB-CB 4.26Å; V196-P235 HydrophobicContact CG1-CB 3.73Å; V196-P235 HydrophobicContact CG1-CG 4.22Å; T197-P235 WeakPolarHBondContact OG1-CB 3.43Å; F200-P235 HydrophobicContact CB-CG 3.94Å; F200-P235 HydrophobicContact CD2-CG 3.83Å; F200-P235 HydrophobicContact CE2-CG 4.47Å; F200-P235 HydrophobicContact CG-CG 3.83Å; G231-P235 WeakPolarHBondContact O-CG 3.25Å; P235-I238 PolarHBondContact O-N 3.24Å; P235-I239 PolarHBondContact O-N 3.35Å; P235-I239 VanDerWaalsContact O-N 3.1Å |
| 236 | F | 94.9 | Very high | 92.2 | Very high | 124 Ų | 124 | 45.6 Ų | 45.6 | 54% | 0.544 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -59.2 | -57.3 | -174.8 | -178.8 | -100.6 | 0 | 0 | 0 | 113.7 | Y193 I234 I238 I239 V240 | Y193-F236 HydrophobicContact CE2-CB 3.94Å; Y193-F236 HydrophobicContact CE2-CD2 4.36Å; I234-F236 VanDerWaalsContact C-N 3.27Å; I234-F236 PolarHBondContact O-N 3.19Å; F236-I238 VanDerWaalsContact C-N 3.27Å; F236-I238 PolarHBondContact O-N 3.34Å; F236-I239 PolarHBondContact O-N 2.98Å; F236-V240 HydrophobicContact CD1-CG2 4.3Å; F236-V240 HydrophobicContact CD2-CG2 4.46Å; F236-V240 HydrophobicContact CE1-CG2 3.95Å; F236-V240 HydrophobicContact CE2-CG2 4.12Å; F236-V240 HydrophobicContact CZ-CG2 3.85Å; F236-V240 WeakPolarHBondContact O-CG2 3.43Å; F236-V240 PolarHBondContact O-N 3.37Å |
| 237 | P | 94.8 | Very high | 92 | Very high | 73 Ų | 73 | 45 Ų | 45 | 47% | 0.474 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63.5 | -30.6 | 178.6 | 25.8 | -35.4 | 0 | 0 | 0 | 113.1 | C233 I234 V240 A241 | C233-P237 WeakPolarHBondContact O-CD 3.21Å; I234-P237 VanDerWaalsContact O-CD 3.24Å; I234-P237 WeakPolarHBondContact O-CD 3.41Å; I234-P237 WeakPolarHBondContact O-CG 3.33Å; P237-V240 PolarHBondContact O-N 3.11Å; P237-A241 WeakPolarHBondContact O-CB 3.49Å; P237-A241 PolarHBondContact O-N 2.93Å |
| 238 | I | 94.7 | Very high | 91.8 | Very high | 30 Ų | 30 | 53.3 Ų | 53.3 | 15% | 0.154 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.5 | -47.1 | 176.4 | -63.1 | 170.1 | 0 | 0 | 0 | 110.1 | F200 I234 P235 F236 A241 W242 P271 | F200-I238 HydrophobicContact CE2-CD1 4Å; F200-I238 HydrophobicContact CZ-CD1 3.79Å; I234-I238 HydrophobicContact CG2-CD1 4.1Å; I234-I238 WeakPolarHBondContact O-CG1 3.41Å; P235-I238 PolarHBondContact O-N 3.24Å; F236-I238 VanDerWaalsContact C-N 3.27Å; F236-I238 PolarHBondContact O-N 3.34Å; I238-A241 PolarHBondContact O-N 3.29Å; I238-W242 PolarHBondContact O-N 3.49Å; I238-P271 HydrophobicContact CD1-CB 3.99Å; I238-P271 HydrophobicContact CD1-CG 4.17Å; I238-P271 HydrophobicContact CG2-CG 4.24Å |
| 239 | I | 94.1 | Very high | 91.2 | Very high | 5 Ų | 5 | 58.8 Ų | 58.8 | 3% | 0.026 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -72.6 | -35.7 | 179.3 | -69.5 | -58.7 | 0 | 0 | 0 | 112.3 | T189 N192 V196 P235 F236 A241 W242 A243 Y268 | T189-I239 HydrophobicContact CG2-CG2 3.65Å; N192-I239 HydrophobicContact CB-CD1 3.89Å; V196-I239 HydrophobicContact CB-CD1 4.49Å; V196-I239 HydrophobicContact CB-CG1 4.43Å; V196-I239 HydrophobicContact CG2-CD1 3.62Å; V196-I239 HydrophobicContact CG2-CG1 4.06Å; P235-I239 PolarHBondContact O-N 3.35Å; P235-I239 VanDerWaalsContact O-N 3.1Å; F236-I239 PolarHBondContact O-N 2.98Å; I239-A241 VanDerWaalsContact C-N 3.31Å; I239-A241 PolarHBondContact O-N 3.06Å; I239-W242 HydrophobicContact CG2-CE3 4.49Å; I239-W242 PolarHBondContact O-N 3.18Å; I239-A243 VanDerWaalsContact O-CB 3.31Å; I239-A243 WeakPolarHBondContact O-CB 3.41Å; I239-A243 PolarHBondContact O-N 3.29Å; I239-Y268 HydrophobicContact CD1-CG 4.21Å |
| 240 | V | 93.1 | Very high | 90.2 | Very high | 58 Ų | 58 | 56.2 Ų | 56.2 | 35% | 0.352 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.1 | -43.6 | 173 | 171 | 0 | 0 | 0 | 0 | 110.4 | F236 P237 W242 A243 I244 | F236-V240 HydrophobicContact CD1-CG2 4.3Å; F236-V240 HydrophobicContact CD2-CG2 4.46Å; F236-V240 HydrophobicContact CE1-CG2 3.95Å; F236-V240 HydrophobicContact CE2-CG2 4.12Å; F236-V240 HydrophobicContact CZ-CG2 3.85Å; F236-V240 WeakPolarHBondContact O-CG2 3.43Å; F236-V240 PolarHBondContact O-N 3.37Å; P237-V240 PolarHBondContact O-N 3.11Å; V240-W242 PolarHBondContact O-N 3.39Å; V240-A243 PolarHBondContact O-N 2.96Å; V240-I244 HydrophobicContact CG1-CD1 3.78Å; V240-I244 HydrophobicContact CG1-CG1 4.43Å; V240-I244 WeakPolarHBondContact O-CB 2.89Å; V240-I244 WeakPolarHBondContact O-CG1 3.39Å; V240-I244 PolarHBondContact O-N 3.29Å |
| 241 | A | 92.9 | Very high | 89.4 | Confident | 48 Ų | 48 | 57.9 Ų | 57.9 | 40% | 0.397 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62 | -42.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | P237 I238 I239 I244 G245 I267 | P237-A241 WeakPolarHBondContact O-CB 3.49Å; P237-A241 PolarHBondContact O-N 2.93Å; I238-A241 PolarHBondContact O-N 3.29Å; I239-A241 VanDerWaalsContact C-N 3.31Å; I239-A241 PolarHBondContact O-N 3.06Å; A241-I244 PolarHBondContact O-N 3.4Å; A241-G245 PolarHBondContact O-N 2.85Å; A241-I267 HydrophobicContact CB-CG2 4.23Å |
| 242 | W | 92.2 | Very high | 88.2 | Confident | 3 Ų | 3 | 66.1 Ų | 66.1 | 1% | 0.011 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.6 | -45.6 | 174.5 | 170.8 | 79.2 | 0 | 0 | 0 | 112.4 | T188 N192 I238 I239 V240 I244 G245 K246 W255 D265 I267 Y268 | T188-W242 HydrophobicContact CG2-CH2 4.41Å; N192-W242 HydrophobicContact CB-CZ3 4.43Å; N192-W242 WeakPolarHBondContact ND2-CH2 3.17Å; I238-W242 PolarHBondContact O-N 3.49Å; I239-W242 HydrophobicContact CG2-CE3 4.49Å; I239-W242 PolarHBondContact O-N 3.18Å; V240-W242 PolarHBondContact O-N 3.39Å; W242-I244 VanDerWaalsContact C-N 3.34Å; W242-I244 PolarHBondContact O-N 2.91Å; W242-G245 WeakPolarHBondContact O-CA 3.23Å; W242-G245 PolarHBondContact O-N 3.21Å; W242-G245 VanDerWaalsContact O-N 3.11Å; W242-K246 HydrophobicContact CD2-CG 4.38Å; W242-K246 HydrophobicContact CH2-CG 4.48Å; W242-K246 HydrophobicContact CZ2-CG 3.81Å; W242-K246 PolarHBondContact O-N 3.48Å; W242-W255 HydrophobicContact CH2-CB 4.07Å; W242-W255 HydrophobicContact CH2-CD2 4.38Å; W242-W255 AromaticContact CH2-CE3 3.79Å; W242-W255 HydrophobicContact CH2-CE3 3.79Å; W242-W255 HydrophobicContact CZ2-CB 4.46Å; W242-W255 AromaticContact CZ3-CE3 3.81Å; W242-W255 HydrophobicContact CZ3-CE3 3.81Å; W242-W255 HydrophobicContact CZ3-CZ3 4.22Å; W242-D265 PolarHBondContact NE1-OD1 2.87Å; W242-I267 HydrophobicContact CB-CB 4.31Å; W242-I267 HydrophobicContact CB-CG2 4.07Å; W242-Y268 HydrophobicContact CB-CD1 4.42Å; W242-Y268 AromaticContact CD1-CD1 3.45Å; W242-Y268 VanDerWaalsContact CD1-CD1 3.45Å; W242-Y268 AromaticContact CD1-CE1 3.92Å; W242-Y268 HydrophobicContact CD2-CD1 4.17Å; W242-Y268 AromaticContact CG-CD1 3.75Å; W242-Y268 HydrophobicContact CG-CD1 3.75Å; W242-Y268 HydrophobicContact CG-CE1 4.43Å; W242-Y268 AromaticContact NE1-CD1 3.63Å; W242-Y268 AromaticContact NE1-CE1 3.58Å |
| 243 | A | 90 | Very high | 87 | Confident | 16 Ų | 16 | 67.8 Ų | 67.8 | 13% | 0.132 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.4 | -39.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | T189 I239 V240 L247 W255 | T189-A243 HydrophobicContact CG2-CB 4.11Å; I239-A243 VanDerWaalsContact O-CB 3.31Å; I239-A243 WeakPolarHBondContact O-CB 3.41Å; I239-A243 PolarHBondContact O-N 3.29Å; V240-A243 PolarHBondContact O-N 2.96Å; A243-L247 WeakPolarHBondContact O-CB 3.43Å; A243-L247 PolarHBondContact O-N 3.2Å; A243-W255 HydrophobicContact CB-CH2 4.06Å; A243-W255 HydrophobicContact CB-CZ3 3.75Å; A243-W255 WeakPolarHBondContact O-CH2 3.22Å |
| 244 | I | 90.3 | Very high | 86.2 | Confident | 86 Ų | 86 | 65.2 Ų | 65.2 | 44% | 0.441 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.2 | -44.7 | 172.4 | -68.3 | 167.4 | 0 | 0 | 0 | 110.1 | V240 A241 W242 L247 Y248 | V240-I244 HydrophobicContact CG1-CD1 3.78Å; V240-I244 HydrophobicContact CG1-CG1 4.43Å; V240-I244 WeakPolarHBondContact O-CB 2.89Å; V240-I244 WeakPolarHBondContact O-CG1 3.39Å; V240-I244 PolarHBondContact O-N 3.29Å; A241-I244 PolarHBondContact O-N 3.4Å; W242-I244 VanDerWaalsContact C-N 3.34Å; W242-I244 PolarHBondContact O-N 2.91Å; I244-L247 PolarHBondContact O-N 3.44Å; I244-Y248 HydrophobicContact CG2-CD2 3.7Å; I244-Y248 HydrophobicContact CG2-CE2 3.54Å; I244-Y248 WeakPolarHBondContact O-CD2 3.4Å; I244-Y248 PolarHBondContact O-N 3.3Å; I244-Y248 VanDerWaalsContact O-N 3.16Å |
| 245 | G | 88 | Confident | 85.2 | Confident | 9 Ų | 9 | 64 Ų | 64 | 9% | 0.093 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -56.6 | -52.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A241 W242 L247 Y248 Y249 | A241-G245 PolarHBondContact O-N 2.85Å; W242-G245 WeakPolarHBondContact O-CA 3.23Å; W242-G245 PolarHBondContact O-N 3.21Å; W242-G245 VanDerWaalsContact O-N 3.11Å; G245-L247 VanDerWaalsContact C-N 3.29Å; G245-L247 PolarHBondContact O-N 3.03Å; G245-Y248 PolarHBondContact O-N 3.48Å; G245-Y248 VanDerWaalsContact O-N 3.16Å; G245-Y249 VanDerWaalsContact O-CD2 3.25Å; G245-Y249 WeakPolarHBondContact O-CD2 3.36Å; G245-Y249 PolarHBondContact O-N 3.16Å; G245-Y249 VanDerWaalsContact O-N 3.09Å |
| 246 | K | 86.1 | Confident | 83.8 | Confident | 5 Ų | 5 | 68 Ų | 68 | 2% | 0.022 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.2 | -37 | 177.7 | -77.6 | -66.5 | -172.8 | -177.2 | 0 | 111.9 | W242 Y248 E250 W255 D262 V264 D265 | W242-K246 HydrophobicContact CD2-CG 4.38Å; W242-K246 HydrophobicContact CH2-CG 4.48Å; W242-K246 HydrophobicContact CZ2-CG 3.81Å; W242-K246 PolarHBondContact O-N 3.48Å; K246-Y248 VanDerWaalsContact C-N 3.31Å; K246-Y248 PolarHBondContact O-N 2.9Å; K246-E250 HydrophobicContact CD-CB 4.26Å; K246-E250 IonicContact NZ-OE1 3.18Å; K246-E250 PolarHBondContact NZ-OE1 3.45Å; K246-E250 IonicContact NZ-OE2 2.74Å; K246-E250 PolarHBondContact NZ-OE2 2.93Å; K246-E250 CarbonylContact O-C 3.36Å; K246-E250 WeakPolarHBondContact O-CA 3.46Å; K246-E250 PolarHBondContact O-N 3.46Å; K246-W255 HydrophobicContact CB-CD2 3.78Å; K246-W255 VanDerWaalsContact CB-CE2 3.49Å; K246-W255 HydrophobicContact CB-CE3 4.3Å; K246-W255 HydrophobicContact CB-CG 4.15Å; K246-W255 HydrophobicContact CB-CH2 4.32Å; K246-W255 HydrophobicContact CB-CZ2 3.8Å; K246-W255 HydrophobicContact CG-CD2 4.41Å; K246-W255 HydrophobicContact CG-CG 4.43Å; K246-D262 IonicContact NZ-OD2 3.15Å; K246-D262 PolarHBondContact NZ-OD2 3.28Å; K246-V264 HydrophobicContact CD-CB 4.32Å; K246-V264 HydrophobicContact CD-CG1 3.87Å; K246-V264 HydrophobicContact CG-CG1 3.78Å; K246-D265 WeakPolarHBondContact CE-OD1 3.4Å; K246-D265 IonicContact NZ-OD1 3.56Å |
| 247 | L | 85.4 | Confident | 82.1 | Confident | 82 Ų | 82 | 64.3 Ų | 64.3 | 43% | 0.429 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.2 | -34.9 | 176.2 | -172.4 | 68.6 | 0 | 0 | 0 | 113.6 | A243 I244 G245 N251 W255 | A243-L247 WeakPolarHBondContact O-CB 3.43Å; A243-L247 PolarHBondContact O-N 3.2Å; I244-L247 PolarHBondContact O-N 3.44Å; G245-L247 VanDerWaalsContact C-N 3.29Å; G245-L247 PolarHBondContact O-N 3.03Å; L247-N251 WeakPolarHBondContact CD1-OD1 3.16Å; L247-W255 HydrophobicContact CB-CH2 4.37Å; L247-W255 HydrophobicContact CB-CZ2 4.03Å; L247-W255 HydrophobicContact CD1-CZ2 4.4Å |
| 248 | Y | 84.3 | Confident | 80.3 | Confident | 185 Ų | 185 | 67.7 Ų | 67.7 | 73% | 0.725 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -84.2 | -35.6 | -178.9 | -80.7 | -68.3 | 0 | 0 | 0 | 113.8 | I244 G245 K246 | I244-Y248 HydrophobicContact CG2-CD2 3.7Å; I244-Y248 HydrophobicContact CG2-CE2 3.54Å; I244-Y248 WeakPolarHBondContact O-CD2 3.4Å; I244-Y248 PolarHBondContact O-N 3.3Å; I244-Y248 VanDerWaalsContact O-N 3.16Å; G245-Y248 PolarHBondContact O-N 3.48Å; G245-Y248 VanDerWaalsContact O-N 3.16Å; K246-Y248 VanDerWaalsContact C-N 3.31Å; K246-Y248 PolarHBondContact O-N 2.9Å |
| 249 | Y | 78.3 | Confident | 78.4 | Confident | 184 Ų | 184 | 72.6 Ų | 72.6 | 72% | 0.722 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -99.6 | -29.6 | -173.3 | -66.9 | -73.2 | 0 | 0 | 0 | 113.6 | G245 V264 | G245-Y249 VanDerWaalsContact O-CD2 3.25Å; G245-Y249 WeakPolarHBondContact O-CD2 3.36Å; G245-Y249 PolarHBondContact O-N 3.16Å; G245-Y249 VanDerWaalsContact O-N 3.09Å; Y249-V264 HydrophobicContact CD2-CG2 4.04Å; Y249-V264 HydrophobicContact CG-CG2 4.35Å |
| 250 | E | 72 | Confident | 76.3 | Confident | 61 Ų | 61 | 78.9 Ų | 78.9 | 29% | 0.285 | 40% | 0.399 | S | S | . | . | trans | -145.1 | 78 | -169.6 | -69.3 | 171.5 | -122 | 0 | 0 | 110.9 | K246 W255 | K246-E250 HydrophobicContact CD-CB 4.26Å; K246-E250 IonicContact NZ-OE1 3.18Å; K246-E250 PolarHBondContact NZ-OE1 3.45Å; K246-E250 IonicContact NZ-OE2 2.74Å; K246-E250 PolarHBondContact NZ-OE2 2.93Å; K246-E250 CarbonylContact O-C 3.36Å; K246-E250 WeakPolarHBondContact O-CA 3.46Å; K246-E250 PolarHBondContact O-N 3.46Å; E250-W255 PolarHBondContact O-NE1 2.88Å; E250-W255 VanDerWaalsContact O-NE1 3.11Å | ||
| 251 | N | 74.7 | Confident | 74.3 | Confident | 68 Ų | 68 | 79.4 Ų | 79.4 | 36% | 0.364 | 42% | 0.416 | S | S | . | . | trans | -107.4 | 15.1 | -175.4 | -163.6 | 44.7 | 0 | 0 | 0 | 113.4 | N180 R185 L247 | N180-N251 PolarHBondContact ND2-O 3.25Å; R185-N251 PolarHBondContact NH1-OD1 3.49Å; R185-N251 PolarHBondContact NH2-O 3.43Å; R185-N251 PolarHBondContact NH2-OD1 3.29Å; L247-N251 WeakPolarHBondContact CD1-OD1 3.16Å | ||
| 252 | E | 68 | Low | 73 | Confident | 173 Ų | 173 | 79.1 Ų | 79.1 | 81% | 0.808 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -92.2 | -30.6 | -171.4 | -61.6 | -165.7 | 165.9 | 0 | 0 | 113.6 | N180 | N180-E252 WeakPolarHBondContact CB-O 3.46Å; N180-E252 VanDerWaalsContact CG-O 3.23Å; N180-E252 VanDerWaalsContact ND2-C 3.28Å; N180-E252 PolarHBondContact ND2-O 3.29Å |
| 253 | Q | 71.3 | Confident | 72.1 | Confident | 96 Ų | 96 | 86.5 Ų | 86.5 | 45% | 0.449 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -128.9 | 167.4 | 179.1 | -67 | -178 | -39.3 | 0 | 0 | 111.1 | N180 | N180-Q253 PolarHBondContact OD1-O 2.86Š|
| 254 | C | 75.3 | Confident | 71.6 | Confident | 5 Ų | 5 | 86.5 Ų | 86.5 | 3% | 0.034 | 45% | 0.445 | C | S | . | . | trans | -60.1 | 141.8 | 167.8 | -176.6 | 0 | 0 | 0 | 0 | 109.7 | H177 C184 F256 | H177-C254 PolarHBondContact CE1-O 2.93Å; H177-C254 PolarHBondContact O-N 3.47Å; C184-C254 HydrophobicContact CB-CB 3.85Å; C184-C254 WeakPolarHBondContact CB-SG 3.19Å; C184-C254 PolarHBondContact O-SG 2.9Å; C184-C254 WeakPolarHBondContact SG-CB 3.41Å; C184-C254 CovalentContact SG-SG 2.03Å; C184-C254 PolarHBondContact SG-SG 3.42Å; C254-F256 PolarHBondContact O-N 3.44Å | ||
| 255 | W | 74.3 | Confident | 71.2 | Confident | 34 Ų | 34 | 83 Ų | 83 | 13% | 0.129 | 43% | 0.427 | C | S | . | . | S | Bend | trans | -70 | 27.6 | -175.5 | -55.5 | -28 | 0 | 0 | 0 | 114.7 | R185 T188 T189 W242 A243 K246 L247 E250 | R185-W255 HydrophobicContact CB-CD2 4.46Å; R185-W255 HydrophobicContact CB-CE3 4.33Å; R185-W255 HydrophobicContact CB-CZ3 4.46Å; T188-W255 HydrophobicContact CG2-CB 4.07Å; T188-W255 WeakPolarHBondContact CG2-O 3.45Å; T189-W255 VanDerWaalsContact OG1-CZ3 3.28Å; T189-W255 WeakPolarHBondContact OG1-CZ3 3.43Å; W242-W255 HydrophobicContact CH2-CB 4.07Å; W242-W255 HydrophobicContact CH2-CD2 4.38Å; W242-W255 AromaticContact CH2-CE3 3.79Å; W242-W255 HydrophobicContact CH2-CE3 3.79Å; W242-W255 HydrophobicContact CZ2-CB 4.46Å; W242-W255 AromaticContact CZ3-CE3 3.81Å; W242-W255 HydrophobicContact CZ3-CE3 3.81Å; W242-W255 HydrophobicContact CZ3-CZ3 4.22Å; A243-W255 HydrophobicContact CB-CH2 4.06Å; A243-W255 HydrophobicContact CB-CZ3 3.75Å; A243-W255 WeakPolarHBondContact O-CH2 3.22Å; K246-W255 HydrophobicContact CB-CD2 3.78Å; K246-W255 VanDerWaalsContact CB-CE2 3.49Å; K246-W255 HydrophobicContact CB-CE3 4.3Å; K246-W255 HydrophobicContact CB-CG 4.15Å; K246-W255 HydrophobicContact CB-CH2 4.32Å; K246-W255 HydrophobicContact CB-CZ2 3.8Å; K246-W255 HydrophobicContact CG-CD2 4.41Å; K246-W255 HydrophobicContact CG-CG 4.43Å; L247-W255 HydrophobicContact CB-CH2 4.37Å; L247-W255 HydrophobicContact CB-CZ2 4.03Å; L247-W255 HydrophobicContact CD1-CZ2 4.4Å; E250-W255 PolarHBondContact O-NE1 2.88Å; E250-W255 VanDerWaalsContact O-NE1 3.11Å |
| 256 | F | 64.8 | Low | 71 | Confident | 82 Ų | 82 | 89.7 Ų | 89.7 | 36% | 0.36 | 45% | 0.451 | S | S | . | . | trans | -103.1 | 70.5 | -175.6 | -171.1 | -100.1 | 0 | 0 | 0 | 111.1 | L169 H177 C254 | L169-F256 HydrophobicContact CB-CE2 4.06Å; L169-F256 HydrophobicContact CD1-CD2 4.36Å; L169-F256 HydrophobicContact CD1-CE2 4.02Å; L169-F256 HydrophobicContact CD2-CD2 3.84Å; L169-F256 HydrophobicContact CD2-CE2 4.04Å; L169-F256 HydrophobicContact CG-CE2 4.29Å; H177-F256 VanDerWaalsContact CE1-C 3.48Å; H177-F256 PolarHBondContact CE1-O 2.95Å; H177-F256 PolarHBondContact NE2-O 3.38Å; C254-F256 PolarHBondContact O-N 3.44Å | ||
| 257 | G | 58.8 | Low | 71.1 | Confident | 47 Ų | 47 | 92.7 Ų | 92.7 | 49% | 0.485 | 47% | 0.466 | S | S | . | . | trans | 180 | 113 | 178.6 | 0 | 0 | 0 | 0 | 0 | 107.3 | E259 | G257-E259 PolarHBondContact O-N 2.88Š| ||
| 258 | K | 57.5 | Low | 71.3 | Confident | 145 Ų | 145 | 89 Ų | 89 | 63% | 0.63 | 45% | 0.447 | S | S | * | . | trans | -85.4 | 91.3 | 174.2 | -69.9 | -173.9 | 178.6 | -174.9 | 0 | 106.7 | P260 Y268 | K258-P260 WeakPolarHBondContact O-CD 3.3Å; K258-Y268 WeakPolarHBondContact CE-OH 3.37Å | ||
| 259 | E | 54.4 | Low | 71.4 | Confident | 132 Ų | 132 | 83 Ų | 83 | 62% | 0.617 | 43% | 0.425 | S | S | * | . | trans | -68.3 | 119.9 | 164.3 | -63.7 | -162.5 | 154.3 | 0 | 0 | 107.5 | G257 G261 | G257-E259 PolarHBondContact O-N 2.88Å; E259-G261 PolarHBondContact O-N 3.33Å | ||
| 260 | P | 50.7 | Low | 71.9 | Confident | 137 Ų | 137 | 74.9 Ų | 74.9 | 89% | 0.89 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | 105.9 | -178 | 25.7 | -31.5 | 0 | 0 | 0 | 109.2 | K258 | K258-P260 WeakPolarHBondContact O-CD 3.3Š|
| 261 | G | 51.6 | Low | 72.8 | Confident | 70 Ų | 70 | 73.7 Ų | 73.7 | 72% | 0.722 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 142.3 | -11.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | E259 L263 | E259-G261 PolarHBondContact O-N 3.33Å; G261-L263 PolarHBondContact O-N 3.15Å; G261-L263 VanDerWaalsContact O-N 3.15Å |
| 262 | D | 65.4 | Low | 73.6 | Confident | 41 Ų | 41 | 71.1 Ų | 71.1 | 22% | 0.219 | 38% | 0.381 | C | S | . | . | trans | -70.3 | 114.9 | -177.6 | -71 | -17.8 | 0 | 0 | 0 | 112.4 | K246 V264 D265 | K246-D262 IonicContact NZ-OD2 3.15Å; K246-D262 PolarHBondContact NZ-OD2 3.28Å; D262-V264 PolarHBondContact O-N 3.2Å; D262-V264 VanDerWaalsContact O-N 3.12Å; D262-D265 PolarHBondContact O-N 3.35Å; D262-D265 VanDerWaalsContact O-N 3.14Å | ||
| 263 | L | 73.7 | Confident | 74.5 | Confident | 159 Ų | 159 | 64.8 Ų | 64.8 | 83% | 0.832 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -26.6 | 173.4 | -67 | 170.5 | 0 | 0 | 0 | 112.2 | G261 Y266 | G261-L263 PolarHBondContact O-N 3.15Å; G261-L263 VanDerWaalsContact O-N 3.15Å; L263-Y266 WeakPolarHBondContact O-CB 3.32Å; L263-Y266 PolarHBondContact O-N 3.48Å |
| 264 | V | 79.6 | Confident | 75.4 | Confident | 16 Ų | 16 | 65.2 Ų | 65.2 | 10% | 0.097 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -38.3 | 180 | -174.8 | 0 | 0 | 0 | 0 | 111.3 | K246 Y249 D262 Y266 I267 | K246-V264 HydrophobicContact CD-CB 4.32Å; K246-V264 HydrophobicContact CD-CG1 3.87Å; K246-V264 HydrophobicContact CG-CG1 3.78Å; Y249-V264 HydrophobicContact CD2-CG2 4.04Å; Y249-V264 HydrophobicContact CG-CG2 4.35Å; D262-V264 PolarHBondContact O-N 3.2Å; D262-V264 VanDerWaalsContact O-N 3.12Å; V264-Y266 PolarHBondContact O-N 2.97Å; V264-I267 HydrophobicContact CG1-CD1 4.11Å; V264-I267 VanDerWaalsContact O-CB 3.31Å; V264-I267 WeakPolarHBondContact O-CB 3.28Å; V264-I267 WeakPolarHBondContact O-CD1 3.44Å; V264-I267 WeakPolarHBondContact O-CG1 3.34Å; V264-I267 PolarHBondContact O-N 3.23Å; V264-I267 VanDerWaalsContact O-N 3.16Å |
| 265 | D | 80.7 | Confident | 76.2 | Confident | 11 Ų | 11 | 65.4 Ų | 65.4 | 6% | 0.059 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -23.1 | -179.6 | -91.4 | 10.9 | 0 | 0 | 0 | 112.9 | W242 K246 D262 I267 Y268 Q269 | W242-D265 PolarHBondContact NE1-OD1 2.87Å; K246-D265 WeakPolarHBondContact CE-OD1 3.4Å; K246-D265 IonicContact NZ-OD1 3.56Å; D262-D265 PolarHBondContact O-N 3.35Å; D262-D265 VanDerWaalsContact O-N 3.14Å; D265-I267 PolarHBondContact O-N 3.06Å; D265-Y268 HydrophobicContact CB-CE1 4.31Å; D265-Y268 WeakPolarHBondContact O-CD1 3.24Å; D265-Y268 WeakPolarHBondContact O-CE1 3.43Å; D265-Y268 PolarHBondContact O-N 2.96Å; D265-Q269 WeakPolarHBondContact O-CB 3.19Å; D265-Q269 VanDerWaalsContact O-CG 3.23Å; D265-Q269 WeakPolarHBondContact O-CG 3.49Å; D265-Q269 PolarHBondContact O-N 2.7Å |
| 266 | Y | 84.9 | Confident | 76.8 | Confident | 151 Ų | 151 | 64.1 Ų | 64.1 | 59% | 0.592 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -63.2 | -21.3 | 175.3 | -166.5 | -104.9 | 0 | 0 | 0 | 113.1 | L263 V264 Y268 Q269 G270 | L263-Y266 WeakPolarHBondContact O-CB 3.32Å; L263-Y266 PolarHBondContact O-N 3.48Å; V264-Y266 PolarHBondContact O-N 2.97Å; Y266-Y268 PolarHBondContact O-N 3.32Å; Y266-Q269 PolarHBondContact O-N 3.21Å; Y266-G270 PolarHBondContact O-N 3.32Å |
| 267 | I | 88.2 | Confident | 77.9 | Confident | 67 Ų | 67 | 64.5 Ų | 64.5 | 34% | 0.344 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -57 | -45.7 | -179.5 | -65.1 | 170.8 | 0 | 0 | 0 | 111.8 | A241 W242 V264 D265 P271 | A241-I267 HydrophobicContact CB-CG2 4.23Å; W242-I267 HydrophobicContact CB-CB 4.31Å; W242-I267 HydrophobicContact CB-CG2 4.07Å; V264-I267 HydrophobicContact CG1-CD1 4.11Å; V264-I267 VanDerWaalsContact O-CB 3.31Å; V264-I267 WeakPolarHBondContact O-CB 3.28Å; V264-I267 WeakPolarHBondContact O-CD1 3.44Å; V264-I267 WeakPolarHBondContact O-CG1 3.34Å; V264-I267 PolarHBondContact O-N 3.23Å; V264-I267 VanDerWaalsContact O-N 3.16Å; D265-I267 PolarHBondContact O-N 3.06Å; I267-P271 WeakPolarHBondContact O-CD 3.11Å |
| 268 | Y | 88.9 | Confident | 79.5 | Confident | 5 Ų | 5 | 65 Ų | 65 | 2% | 0.02 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -95.4 | -27.7 | 177.4 | 79.9 | -89.5 | 0 | 0 | 0 | 112.7 | V196 I239 W242 K258 D265 Y266 P271 I272 | V196-Y268 HydrophobicContact CG2-CD2 3.89Å; V196-Y268 HydrophobicContact CG2-CG 4.42Å; I239-Y268 HydrophobicContact CD1-CG 4.21Å; W242-Y268 HydrophobicContact CB-CD1 4.42Å; W242-Y268 AromaticContact CD1-CD1 3.45Å; W242-Y268 VanDerWaalsContact CD1-CD1 3.45Å; W242-Y268 AromaticContact CD1-CE1 3.92Å; W242-Y268 HydrophobicContact CD2-CD1 4.17Å; W242-Y268 AromaticContact CG-CD1 3.75Å; W242-Y268 HydrophobicContact CG-CD1 3.75Å; W242-Y268 HydrophobicContact CG-CE1 4.43Å; W242-Y268 AromaticContact NE1-CD1 3.63Å; W242-Y268 AromaticContact NE1-CE1 3.58Å; K258-Y268 WeakPolarHBondContact CE-OH 3.37Å; D265-Y268 HydrophobicContact CB-CE1 4.31Å; D265-Y268 WeakPolarHBondContact O-CD1 3.24Å; D265-Y268 WeakPolarHBondContact O-CE1 3.43Å; D265-Y268 PolarHBondContact O-N 2.96Å; Y266-Y268 PolarHBondContact O-N 3.32Å; Y268-P271 WeakPolarHBondContact O-CD 3.49Å; Y268-I272 HydrophobicContact CD2-CD1 3.69Å; Y268-I272 HydrophobicContact CE2-CD1 4.04Å; Y268-I272 WeakPolarHBondContact O-CG1 3.35Å; Y268-I272 PolarHBondContact O-N 3.34Å |
| 269 | Q | 86.9 | Confident | 80.9 | Confident | 59 Ų | 59 | 58.1 Ų | 58.1 | 28% | 0.276 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -66.8 | -43.3 | 178.3 | -68.4 | 177.7 | 8.6 | 0 | 0 | 111.8 | D265 Y266 I272 I273 | D265-Q269 WeakPolarHBondContact O-CB 3.19Å; D265-Q269 VanDerWaalsContact O-CG 3.23Å; D265-Q269 WeakPolarHBondContact O-CG 3.49Å; D265-Q269 PolarHBondContact O-N 2.7Å; Y266-Q269 PolarHBondContact O-N 3.21Å; Q269-I272 WeakPolarHBondContact O-CA 3.36Å; Q269-I272 WeakPolarHBondContact O-CB 3.44Å; Q269-I272 PolarHBondContact O-N 3.03Å; Q269-I273 HydrophobicContact CB-CD1 4.49Å; Q269-I273 WeakPolarHBondContact O-CG1 3.49Å; Q269-I273 PolarHBondContact O-N 2.93Å |
| 270 | G | 88.2 | Confident | 82.4 | Confident | 14 Ų | 14 | 56.9 Ų | 56.9 | 14% | 0.144 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -52.1 | -52.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y266 I272 I273 L274 | Y266-G270 PolarHBondContact O-N 3.32Å; G270-I272 PolarHBondContact O-N 3.31Å; G270-I273 PolarHBondContact O-N 3.06Å; G270-L274 PolarHBondContact O-N 2.77Å |
| 271 | P | 91.7 | Very high | 84.2 | Confident | 36 Ų | 36 | 54 Ų | 54 | 23% | 0.234 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -58.9 | -39.7 | 173 | -28 | 35.7 | 0 | 0 | 0 | 114.4 | I238 I267 Y268 I273 L274 V275 | I238-P271 HydrophobicContact CD1-CB 3.99Å; I238-P271 HydrophobicContact CD1-CG 4.17Å; I238-P271 HydrophobicContact CG2-CG 4.24Å; I267-P271 WeakPolarHBondContact O-CD 3.11Å; Y268-P271 WeakPolarHBondContact O-CD 3.49Å; P271-I273 VanDerWaalsContact C-N 3.34Å; P271-I273 PolarHBondContact O-N 3.3Å; P271-L274 PolarHBondContact O-N 2.92Å; P271-V275 WeakPolarHBondContact O-CB 3.28Å; P271-V275 VanDerWaalsContact O-CG2 3.29Å; P271-V275 WeakPolarHBondContact O-CG2 3.37Å; P271-V275 PolarHBondContact O-N 3.15Å |
| 272 | I | 89.7 | Confident | 86 | Confident | 14 Ų | 14 | 52.3 Ų | 52.3 | 7% | 0.072 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.1 | -46.6 | 175.2 | -71 | 172.1 | 0 | 0 | 0 | 110.3 | V196 F199 Y268 Q269 G270 V275 L276 | V196-I272 HydrophobicContact CG2-CD1 3.89Å; V196-I272 HydrophobicContact CG2-CG1 4.27Å; F199-I272 HydrophobicContact CB-CG1 4.45Å; F199-I272 HydrophobicContact CD1-CG2 3.99Å; F199-I272 HydrophobicContact CD2-CB 4.43Å; F199-I272 HydrophobicContact CD2-CD1 3.75Å; F199-I272 HydrophobicContact CD2-CG1 3.84Å; F199-I272 HydrophobicContact CD2-CG2 3.73Å; F199-I272 HydrophobicContact CE1-CG2 4.07Å; F199-I272 HydrophobicContact CE2-CD1 3.95Å; F199-I272 HydrophobicContact CE2-CG1 4.41Å; F199-I272 HydrophobicContact CE2-CG2 3.79Å; F199-I272 HydrophobicContact CG-CG1 4.29Å; F199-I272 HydrophobicContact CG-CG2 3.84Å; F199-I272 HydrophobicContact CZ-CG2 3.96Å; Y268-I272 HydrophobicContact CD2-CD1 3.69Å; Y268-I272 HydrophobicContact CE2-CD1 4.04Å; Y268-I272 WeakPolarHBondContact O-CG1 3.35Å; Y268-I272 PolarHBondContact O-N 3.34Å; Q269-I272 WeakPolarHBondContact O-CA 3.36Å; Q269-I272 WeakPolarHBondContact O-CB 3.44Å; Q269-I272 PolarHBondContact O-N 3.03Å; G270-I272 PolarHBondContact O-N 3.31Å; I272-V275 PolarHBondContact O-N 3.1Å; I272-L276 HydrophobicContact CG2-CD1 3.78Å; I272-L276 HydrophobicContact CG2-CG 4.3Å; I272-L276 WeakPolarHBondContact O-CB 3.24Å; I272-L276 WeakPolarHBondContact O-CG 3.41Å; I272-L276 PolarHBondContact O-N 3.03Å |
| 273 | I | 87.5 | Confident | 87 | Confident | 40 Ų | 40 | 51 Ų | 51 | 21% | 0.205 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61 | -48.9 | -179 | -65.6 | 170.2 | 0 | 0 | 0 | 110.2 | Q269 G270 P271 V275 L276 L277 F327 | Q269-I273 HydrophobicContact CB-CD1 4.49Å; Q269-I273 WeakPolarHBondContact O-CG1 3.49Å; Q269-I273 PolarHBondContact O-N 2.93Å; G270-I273 PolarHBondContact O-N 3.06Å; P271-I273 VanDerWaalsContact C-N 3.34Å; P271-I273 PolarHBondContact O-N 3.3Å; I273-V275 VanDerWaalsContact C-N 3.31Å; I273-V275 PolarHBondContact O-N 3.28Å; I273-L276 PolarHBondContact O-N 2.89Å; I273-L277 HydrophobicContact CG2-CD1 4.1Å; I273-L277 HydrophobicContact CG2-CG 4.45Å; I273-L277 WeakPolarHBondContact O-CG 3.39Å; I273-L277 PolarHBondContact O-N 3.47Å; I273-F327 HydrophobicContact CB-CZ 4.03Å; I273-F327 HydrophobicContact CD1-CE1 4.2Å; I273-F327 HydrophobicContact CD1-CZ 3.67Å; I273-F327 HydrophobicContact CG1-CE2 4.25Å; I273-F327 HydrophobicContact CG1-CZ 3.56Å; I273-F327 HydrophobicContact CG2-CE1 4.26Å; I273-F327 HydrophobicContact CG2-CE2 4.06Å; I273-F327 HydrophobicContact CG2-CZ 3.4Å |
| 274 | L | 90.8 | Very high | 87.5 | Confident | 104 Ų | 104 | 49.9 Ų | 49.9 | 55% | 0.545 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -56.6 | -46.9 | 177 | 177.4 | 63 | 0 | 0 | 0 | 111.4 | G270 P271 L276 L277 I278 | G270-L274 PolarHBondContact O-N 2.77Å; P271-L274 PolarHBondContact O-N 2.92Å; L274-L276 PolarHBondContact O-N 3.39Å; L274-L277 PolarHBondContact O-N 3Å; L274-I278 HydrophobicContact CD1-CD1 4.14Å; L274-I278 HydrophobicContact CG-CD1 4.08Å; L274-I278 VanDerWaalsContact O-CG1 3.32Å; L274-I278 WeakPolarHBondContact O-CG1 3.47Å; L274-I278 PolarHBondContact O-N 3.5Å |
| 275 | V | 91.3 | Very high | 87.9 | Confident | 10 Ų | 10 | 51.7 Ų | 51.7 | 6% | 0.061 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.3 | -45 | 178.2 | 161.8 | 0 | 0 | 0 | 0 | 111.6 | F200 F203 P271 I272 I273 I278 N279 | F200-V275 HydrophobicContact CE1-CG2 4.3Å; F200-V275 HydrophobicContact CE2-CG2 4.41Å; F200-V275 HydrophobicContact CZ-CG2 4.18Å; F203-V275 HydrophobicContact CB-CG1 3.48Å; F203-V275 VanDerWaalsContact CB-CG1 3.48Å; F203-V275 HydrophobicContact CD2-CG1 4.25Å; F203-V275 HydrophobicContact CG-CG1 4.01Å; P271-V275 WeakPolarHBondContact O-CB 3.28Å; P271-V275 VanDerWaalsContact O-CG2 3.29Å; P271-V275 WeakPolarHBondContact O-CG2 3.37Å; P271-V275 PolarHBondContact O-N 3.15Å; I272-V275 PolarHBondContact O-N 3.1Å; I273-V275 VanDerWaalsContact C-N 3.31Å; I273-V275 PolarHBondContact O-N 3.28Å; V275-I278 PolarHBondContact O-N 3.24Å; V275-N279 PolarHBondContact O-N 3.44Å |
| 276 | L | 87.9 | Confident | 88.2 | Confident | 7 Ų | 7 | 51.3 Ų | 51.3 | 4% | 0.037 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.5 | -39.5 | 178.8 | -73.5 | 170.9 | 0 | 0 | 0 | 112.2 | F199 I272 I273 L274 N279 F280 G320 M324 | F199-L276 HydrophobicContact CD1-CD1 4.26Å; F199-L276 HydrophobicContact CD1-CD2 3.79Å; F199-L276 HydrophobicContact CD1-CG 4.03Å; F199-L276 HydrophobicContact CE1-CD1 3.88Å; F199-L276 HydrophobicContact CE1-CD2 3.8Å; F199-L276 HydrophobicContact CE1-CG 4.09Å; I272-L276 HydrophobicContact CG2-CD1 3.78Å; I272-L276 HydrophobicContact CG2-CG 4.3Å; I272-L276 WeakPolarHBondContact O-CB 3.24Å; I272-L276 WeakPolarHBondContact O-CG 3.41Å; I272-L276 PolarHBondContact O-N 3.03Å; I273-L276 PolarHBondContact O-N 2.89Å; L274-L276 PolarHBondContact O-N 3.39Å; L276-N279 PolarHBondContact O-N 3Å; L276-F280 PolarHBondContact O-N 3.48Å; L276-G320 WeakPolarHBondContact CD2-O 3.49Å; L276-M324 HydrophobicContact CB-CE 3.14Å; L276-M324 HydrophobicContact CD1-CE 4.09Å; L276-M324 HydrophobicContact CG-CE 4.24Å |
| 277 | L | 88 | Confident | 88.1 | Confident | 89 Ų | 89 | 45.3 Ų | 45.3 | 47% | 0.466 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62 | -43.6 | 175.6 | -72.1 | 173.6 | 0 | 0 | 0 | 111.4 | I273 L274 N279 F280 V281 M324 | I273-L277 HydrophobicContact CG2-CD1 4.1Å; I273-L277 HydrophobicContact CG2-CG 4.45Å; I273-L277 WeakPolarHBondContact O-CG 3.39Å; I273-L277 PolarHBondContact O-N 3.47Å; L274-L277 PolarHBondContact O-N 3Å; L277-N279 VanDerWaalsContact C-N 3.35Å; L277-N279 PolarHBondContact O-N 3.4Å; L277-F280 WeakPolarHBondContact O-CB 3.45Å; L277-F280 PolarHBondContact O-N 2.9Å; L277-V281 PolarHBondContact O-N 3.32Å; L277-V281 VanDerWaalsContact O-N 3.14Å; L277-M324 HydrophobicContact CD2-CE 3.92Å; L277-M324 HydrophobicContact CD2-SD 4.13Å; L277-M324 HydrophobicContact CG-CE 3.98Å |
| 278 | I | 91 | Very high | 88.1 | Confident | 58 Ų | 58 | 50 Ų | 50 | 30% | 0.297 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64.1 | -41.8 | 176.5 | -63 | 164.6 | 0 | 0 | 0 | 110.8 | F203 L274 V275 F280 V281 F282 | F203-I278 HydrophobicContact CD2-CG2 4.43Å; F203-I278 HydrophobicContact CE2-CB 4.33Å; F203-I278 HydrophobicContact CE2-CG2 3.76Å; L274-I278 HydrophobicContact CD1-CD1 4.14Å; L274-I278 HydrophobicContact CG-CD1 4.08Å; L274-I278 VanDerWaalsContact O-CG1 3.32Å; L274-I278 WeakPolarHBondContact O-CG1 3.47Å; L274-I278 PolarHBondContact O-N 3.5Å; V275-I278 PolarHBondContact O-N 3.24Å; I278-F280 VanDerWaalsContact C-N 3.29Å; I278-F280 PolarHBondContact O-N 3.31Å; I278-V281 PolarHBondContact O-N 2.9Å; I278-F282 HydrophobicContact CG2-CD1 4.49Å; I278-F282 HydrophobicContact CG2-CD2 4.05Å; I278-F282 HydrophobicContact CG2-CE1 4Å; I278-F282 HydrophobicContact CG2-CE2 3.52Å; I278-F282 HydrophobicContact CG2-CZ 3.48Å; I278-F282 VanDerWaalsContact CG2-CZ 3.48Å; I278-F282 WeakPolarHBondContact O-CG 3.45Å; I278-F282 PolarHBondContact O-N 3.45Å |
| 279 | N | 88.7 | Confident | 88 | Confident | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.6 | -37 | 175.3 | -82.7 | -17.3 | 0 | 0 | 0 | 112.8 | F203 V275 L276 L277 F282 L283 L319 | F203-N279 WeakPolarHBondContact CA-OD1 3.39Å; V275-N279 PolarHBondContact O-N 3.44Å; L276-N279 PolarHBondContact O-N 3Å; L277-N279 VanDerWaalsContact C-N 3.35Å; L277-N279 PolarHBondContact O-N 3.4Å; N279-F282 PolarHBondContact O-N 3.28Å; N279-L283 PolarHBondContact O-N 2.97Å; N279-L319 HydrophobicContact CB-CB 4.34Å; N279-L319 HydrophobicContact CB-CD2 4.3Å |
| 280 | F | 85 | Confident | 87.8 | Confident | 105 Ų | 105 | 52 Ų | 52 | 46% | 0.461 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -63.7 | -43.2 | 174.5 | -176 | -98.7 | 0 | 0 | 0 | 112 | L276 L277 I278 F282 L283 F284 I321 | L276-F280 PolarHBondContact O-N 3.48Å; L277-F280 WeakPolarHBondContact O-CB 3.45Å; L277-F280 PolarHBondContact O-N 2.9Å; I278-F280 VanDerWaalsContact C-N 3.29Å; I278-F280 PolarHBondContact O-N 3.31Å; F280-F282 VanDerWaalsContact C-N 3.35Å; F280-F282 PolarHBondContact O-N 3.1Å; F280-L283 WeakPolarHBondContact O-CB 3.44Å; F280-L283 PolarHBondContact O-N 3.38Å; F280-F284 PolarHBondContact O-N 3.34Å; F280-I321 HydrophobicContact CD2-CD1 4.09Å; F280-I321 HydrophobicContact CD2-CG1 4.36Å |
| 281 | V | 88.9 | Confident | 87.3 | Confident | 78 Ų | 78 | 54 Ų | 54 | 47% | 0.473 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.5 | -43.8 | 174.1 | 175.9 | 0 | 0 | 0 | 0 | 111 | L277 I278 L283 F284 N285 | L277-V281 PolarHBondContact O-N 3.32Å; L277-V281 VanDerWaalsContact O-N 3.14Å; I278-V281 PolarHBondContact O-N 2.9Å; V281-L283 PolarHBondContact O-N 2.9Å; V281-F284 PolarHBondContact O-N 3.29Å; V281-N285 PolarHBondContact O-N 3.08Å |
| 282 | F | 89.6 | Confident | 86.9 | Confident | 33 Ų | 33 | 56.5 Ų | 56.5 | 15% | 0.145 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.9 | -42.8 | 174.5 | -67.6 | -21.6 | 0 | 0 | 0 | 112.1 | F203 C207 H210 I278 N279 F280 F284 N285 I286 | F203-F282 HydrophobicContact CD2-CE2 4.32Å; F203-F282 AromaticContact CE2-CE2 3.79Å; F203-F282 HydrophobicContact CE2-CE2 3.79Å; F203-F282 HydrophobicContact CE2-CZ 4.45Å; C207-F282 HydrophobicContact CB-CE2 3.92Å; H210-F282 HydrophobicContact CB-CB 4.33Å; H210-F282 HydrophobicContact CB-CD1 4.19Å; H210-F282 HydrophobicContact CB-CG 4.14Å; H210-F282 AromaticContact CD2-CD1 3.83Å; H210-F282 AromaticContact CG-CD1 3.79Å; I278-F282 HydrophobicContact CG2-CD1 4.49Å; I278-F282 HydrophobicContact CG2-CD2 4.05Å; I278-F282 HydrophobicContact CG2-CE1 4Å; I278-F282 HydrophobicContact CG2-CE2 3.52Å; I278-F282 HydrophobicContact CG2-CZ 3.48Å; I278-F282 VanDerWaalsContact CG2-CZ 3.48Å; I278-F282 WeakPolarHBondContact O-CG 3.45Å; I278-F282 PolarHBondContact O-N 3.45Å; N279-F282 PolarHBondContact O-N 3.28Å; F280-F282 VanDerWaalsContact C-N 3.35Å; F280-F282 PolarHBondContact O-N 3.1Å; F282-F284 PolarHBondContact O-N 2.91Å; F282-N285 PolarHBondContact O-N 3.41Å; F282-I286 HydrophobicContact CB-CD1 4.49Å; F282-I286 WeakPolarHBondContact O-CB 3.5Å; F282-I286 WeakPolarHBondContact O-CD1 3.37Å; F282-I286 WeakPolarHBondContact O-CG1 3.4Å; F282-I286 PolarHBondContact O-N 3.32Å |
| 283 | L | 84.9 | Confident | 86.5 | Confident | 13 Ų | 13 | 61.9 Ų | 61.9 | 7% | 0.068 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -56.4 | -52.7 | 176 | -178.1 | 57.9 | 0 | 0 | 0 | 110.8 | N279 F280 V281 N285 I286 V287 L315 L319 I321 | N279-L283 PolarHBondContact O-N 2.97Å; F280-L283 WeakPolarHBondContact O-CB 3.44Å; F280-L283 PolarHBondContact O-N 3.38Å; V281-L283 PolarHBondContact O-N 2.9Å; L283-N285 VanDerWaalsContact C-N 3.3Å; L283-N285 PolarHBondContact O-N 3.28Å; L283-I286 PolarHBondContact O-N 2.92Å; L283-V287 HydrophobicContact CD1-CG2 3.66Å; L283-V287 HydrophobicContact CG-CG2 4.07Å; L283-V287 WeakPolarHBondContact O-CB 3.22Å; L283-V287 VanDerWaalsContact O-CG2 3.31Å; L283-V287 WeakPolarHBondContact O-CG2 3.39Å; L283-V287 PolarHBondContact O-N 2.03Å; L283-L315 HydrophobicContact CD1-CB 3.68Å; L283-L315 HydrophobicContact CD1-CD1 4.1Å; L283-L315 HydrophobicContact CD1-CG 4.41Å; L283-L319 HydrophobicContact CB-CD1 3.42Å; L283-L319 VanDerWaalsContact CB-CD1 3.42Å; L283-L319 HydrophobicContact CD1-CD1 3.64Å; L283-L319 HydrophobicContact CD2-CD1 4.36Å; L283-L319 HydrophobicContact CG-CD1 3.95Å; L283-I321 HydrophobicContact CD2-CD1 3.14Å; L283-I321 HydrophobicContact CG-CD1 4.47Å |
| 284 | F | 84.6 | Confident | 85.8 | Confident | 137 Ų | 137 | 61.5 Ų | 61.5 | 60% | 0.601 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -59.1 | -44.2 | -176.2 | -176.8 | -98.7 | 0 | 0 | 0 | 111.2 | F280 V281 F282 V287 R288 | F280-F284 PolarHBondContact O-N 3.34Å; V281-F284 PolarHBondContact O-N 3.29Å; F282-F284 PolarHBondContact O-N 2.91Å; F284-V287 PolarHBondContact O-N 3.49Å; F284-R288 WeakPolarHBondContact O-CB 3.49Å; F284-R288 PolarHBondContact O-N 3.44Å |
| 285 | N | 89.1 | Confident | 85 | Confident | 53 Ų | 53 | 66 Ų | 66 | 28% | 0.283 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.7 | -45.6 | 175.7 | -73.4 | -19.4 | 0 | 0 | 0 | 112.5 | V281 F282 L283 R288 I289 | V281-N285 PolarHBondContact O-N 3.08Å; F282-N285 PolarHBondContact O-N 3.41Å; L283-N285 VanDerWaalsContact C-N 3.3Å; L283-N285 PolarHBondContact O-N 3.28Å; N285-R288 PolarHBondContact O-N 3.48Å; N285-I289 VanDerWaalsContact O-CG1 3.3Å; N285-I289 WeakPolarHBondContact O-CG1 3.29Å; N285-I289 PolarHBondContact O-N 3.48Å |
| 286 | I | 87.5 | Confident | 84.5 | Confident | 3 Ų | 3 | 69.6 Ų | 69.6 | 2% | 0.015 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.8 | -47.7 | 178.4 | -71.6 | 164 | 0 | 0 | 0 | 110.5 | L209 H210 I213 F282 L283 I289 L290 L315 | L209-I286 HydrophobicContact CB-CD1 4.23Å; L209-I286 HydrophobicContact CD2-CD1 3.87Å; L209-I286 HydrophobicContact CD2-CG2 4.49Å; L209-I286 HydrophobicContact CG-CD1 3.85Å; H210-I286 HydrophobicContact CB-CD1 4.11Å; H210-I286 HydrophobicContact CB-CG1 4.35Å; I213-I286 HydrophobicContact CD1-CB 4.46Å; I213-I286 HydrophobicContact CD1-CG1 4.16Å; I213-I286 HydrophobicContact CD1-CG2 3.74Å; F282-I286 HydrophobicContact CB-CD1 4.49Å; F282-I286 WeakPolarHBondContact O-CB 3.5Å; F282-I286 WeakPolarHBondContact O-CD1 3.37Å; F282-I286 WeakPolarHBondContact O-CG1 3.4Å; F282-I286 PolarHBondContact O-N 3.32Å; L283-I286 PolarHBondContact O-N 2.92Å; I286-I289 PolarHBondContact O-N 2.64Å; I286-L290 VanDerWaalsContact O-CB 3.26Å; I286-L290 WeakPolarHBondContact O-CB 3.4Å; I286-L290 PolarHBondContact O-N 2.71Å; I286-L315 HydrophobicContact CG2-CD1 4.3Å |
| 287 | V | 82.9 | Confident | 83.7 | Confident | 25 Ų | 25 | 71.2 Ų | 71.2 | 15% | 0.152 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61.7 | -45.9 | 178.3 | 172.1 | 0 | 0 | 0 | 0 | 109.9 | L283 F284 I289 L290 M291 T312 L315 | L283-V287 HydrophobicContact CD1-CG2 3.66Å; L283-V287 HydrophobicContact CG-CG2 4.07Å; L283-V287 WeakPolarHBondContact O-CB 3.22Å; L283-V287 VanDerWaalsContact O-CG2 3.31Å; L283-V287 WeakPolarHBondContact O-CG2 3.39Å; L283-V287 PolarHBondContact O-N 2.03Å; F284-V287 PolarHBondContact O-N 3.49Å; V287-I289 PolarHBondContact O-N 2.99Å; V287-L290 PolarHBondContact O-N 3.42Å; V287-M291 HydrophobicContact CG1-CE 3.83Å; V287-M291 HydrophobicContact CG1-CG 4.04Å; V287-M291 WeakPolarHBondContact O-CB 3.42Å; V287-M291 WeakPolarHBondContact O-CG 3.23Å; V287-M291 PolarHBondContact O-N 2.99Å; V287-T312 HydrophobicContact CG2-CG2 4.39Å; V287-L315 HydrophobicContact CG2-CD1 4.49Å |
| 288 | R | 86.4 | Confident | 82.6 | Confident | 167 Ų | 167 | 74.4 Ų | 74.4 | 63% | 0.63 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -55.4 | -51.2 | 175.9 | -178.1 | -172.9 | 177 | -154.6 | 0.2 | 111.5 | F284 N285 L290 M291 T292 | F284-R288 WeakPolarHBondContact O-CB 3.49Å; F284-R288 PolarHBondContact O-N 3.44Å; N285-R288 PolarHBondContact O-N 3.48Å; R288-L290 PolarHBondContact O-N 2.91Å; R288-M291 PolarHBondContact O-N 3.24Å; R288-T292 PolarHBondContact O-N 3Å; R288-T292 PolarHBondContact O-OG1 2.8Å |
| 289 | I | 87.1 | Confident | 81.6 | Confident | 50 Ų | 50 | 73.7 Ų | 73.7 | 26% | 0.256 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.8 | -42.2 | -179.5 | -65.2 | 165.7 | 0 | 0 | 0 | 110.9 | I213 V214 N285 I286 V287 T292 K293 | I213-I289 HydrophobicContact CG2-CB 4.1Å; I213-I289 HydrophobicContact CG2-CD1 3.99Å; I213-I289 HydrophobicContact CG2-CG2 3.56Å; V214-I289 HydrophobicContact CG2-CD1 3.74Å; N285-I289 VanDerWaalsContact O-CG1 3.3Å; N285-I289 WeakPolarHBondContact O-CG1 3.29Å; N285-I289 PolarHBondContact O-N 3.48Å; I286-I289 PolarHBondContact O-N 2.64Å; V287-I289 PolarHBondContact O-N 2.99Å; I289-T292 PolarHBondContact O-N 3.48Å; I289-K293 HydrophobicContact CG2-CD 4.29Å; I289-K293 WeakPolarHBondContact O-CG 3.11Å; I289-K293 PolarHBondContact O-N 2.89Å |
| 290 | L | 82.3 | Confident | 80.6 | Confident | 56 Ų | 56 | 76.5 Ų | 76.5 | 29% | 0.293 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -62.6 | -45.1 | 178.1 | -178.7 | 63.8 | 0 | 0 | 0 | 111.4 | I286 V287 R288 K293 L294 A311 | I286-L290 VanDerWaalsContact O-CB 3.26Å; I286-L290 WeakPolarHBondContact O-CB 3.4Å; I286-L290 PolarHBondContact O-N 2.71Å; V287-L290 PolarHBondContact O-N 3.42Å; R288-L290 PolarHBondContact O-N 2.91Å; L290-K293 PolarHBondContact O-N 2.93Å; L290-L294 HydrophobicContact CD1-CD1 4.3Å; L290-L294 HydrophobicContact CD1-CG 4.36Å; L290-L294 HydrophobicContact CG-CD1 3.99Å; L290-L294 HydrophobicContact CG-CG 4.46Å; L290-L294 WeakPolarHBondContact O-CB 3.38Å; L290-L294 VanDerWaalsContact O-CG 3.28Å; L290-L294 WeakPolarHBondContact O-CG 3.32Å; L290-L294 PolarHBondContact O-N 3.24Å; L290-A311 HydrophobicContact CD2-CB 3.66Å |
| 291 | M | 77.9 | Confident | 79.7 | Confident | 54 Ų | 54 | 79.5 Ų | 79.5 | 27% | 0.266 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -61.3 | -44.1 | 176.6 | -67.9 | -71.3 | -179.4 | 0 | 0 | 111.3 | V287 R288 K293 L294 R295 A308 | V287-M291 HydrophobicContact CG1-CE 3.83Å; V287-M291 HydrophobicContact CG1-CG 4.04Å; V287-M291 WeakPolarHBondContact O-CB 3.42Å; V287-M291 WeakPolarHBondContact O-CG 3.23Å; V287-M291 PolarHBondContact O-N 2.99Å; R288-M291 PolarHBondContact O-N 3.24Å; M291-K293 PolarHBondContact O-N 3.03Å; M291-L294 PolarHBondContact O-N 3.18Å; M291-R295 WeakPolarHBondContact O-CG 3.5Å; M291-R295 PolarHBondContact O-N 3.44Å; M291-A308 HydrophobicContact CE-CB 3.43Å; M291-A308 VanDerWaalsContact CE-CB 3.43Å; M291-A308 HydrophobicContact SD-CB 3.38Å; M291-A308 WeakPolarHBondContact SD-CB 3.47Å |
| 292 | T | 83.8 | Confident | 78.6 | Confident | 90 Ų | 90 | 80.6 Ų | 80.6 | 55% | 0.552 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -61.7 | -43.9 | 176.2 | -57.2 | 0 | 0 | 0 | 0 | 111.8 | R288 I289 R295 A296 | R288-T292 PolarHBondContact O-N 3Å; R288-T292 PolarHBondContact O-OG1 2.8Å; I289-T292 PolarHBondContact O-N 3.48Å; T292-R295 PolarHBondContact O-N 3.24Å; T292-A296 PolarHBondContact O-N 3.37Å; T292-A296 VanDerWaalsContact O-N 3.17Å |
| 293 | K | 81.5 | Confident | 77.8 | Confident | 126 Ų | 126 | 82.9 Ų | 82.9 | 55% | 0.548 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -66.6 | -37.3 | 176.8 | -73.8 | -176.4 | 178.5 | 179.3 | 0 | 112.6 | I289 L290 M291 A296 S297 | I289-K293 HydrophobicContact CG2-CD 4.29Å; I289-K293 WeakPolarHBondContact O-CG 3.11Å; I289-K293 PolarHBondContact O-N 2.89Å; L290-K293 PolarHBondContact O-N 2.93Å; M291-K293 PolarHBondContact O-N 3.03Å; K293-A296 PolarHBondContact O-N 3.5Å; K293-S297 PolarHBondContact O-N 3.16Å |
| 294 | L | 72.4 | Confident | 76.8 | Confident | 33 Ų | 33 | 83.4 Ų | 83.4 | 17% | 0.173 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -66.2 | -40.6 | 176.1 | -74.6 | 171.3 | 0 | 0 | 0 | 111.5 | L290 M291 A296 S297 Q304 A308 | L290-L294 HydrophobicContact CD1-CD1 4.3Å; L290-L294 HydrophobicContact CD1-CG 4.36Å; L290-L294 HydrophobicContact CG-CD1 3.99Å; L290-L294 HydrophobicContact CG-CG 4.46Å; L290-L294 WeakPolarHBondContact O-CB 3.38Å; L290-L294 VanDerWaalsContact O-CG 3.28Å; L290-L294 WeakPolarHBondContact O-CG 3.32Å; L290-L294 PolarHBondContact O-N 3.24Å; M291-L294 PolarHBondContact O-N 3.18Å; L294-A296 VanDerWaalsContact C-N 3.31Å; L294-A296 PolarHBondContact O-N 3.18Å; L294-S297 WeakPolarHBondContact O-CB 3.24Å; L294-S297 PolarHBondContact O-N 3.26Å; L294-S297 VanDerWaalsContact O-N 3.08Å; L294-S297 PolarHBondContact O-OG 2.61Å; L294-Q304 PolarHBondContact O-NE2 3.26Å; L294-Q304 PolarHBondContact O-OE1 2.81Å; L294-A308 HydrophobicContact CD1-CB 3.81Å |
| 295 | R | 75.1 | Confident | 75.9 | Confident | 198 Ų | 198 | 84.7 Ų | 84.7 | 75% | 0.747 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -62.5 | -34.7 | 174.9 | -73.3 | 177.9 | -174 | -165.8 | 1.5 | 113.3 | M291 T292 S297 Q304 | M291-R295 WeakPolarHBondContact O-CG 3.5Å; M291-R295 PolarHBondContact O-N 3.44Å; T292-R295 PolarHBondContact O-N 3.24Å; R295-S297 VanDerWaalsContact C-N 3.26Å; R295-S297 PolarHBondContact O-N 3.36Å; R295-Q304 VanDerWaalsContact CA-OE1 3.29Å |
| 296 | A | 79.5 | Confident | 75.2 | Confident | 86 Ų | 86 | 91.5 Ų | 91.5 | 71% | 0.711 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -71.4 | -19.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | T292 K293 L294 | T292-A296 PolarHBondContact O-N 3.37Å; T292-A296 VanDerWaalsContact O-N 3.17Å; K293-A296 PolarHBondContact O-N 3.5Å; L294-A296 VanDerWaalsContact C-N 3.31Å; L294-A296 PolarHBondContact O-N 3.18Å |
| 297 | S | 71.3 | Confident | 74.6 | Confident | 41 Ų | 41 | 96.6 Ų | 96.6 | 29% | 0.287 | 48% | 0.478 | S | S | . | . | S | Bend | trans | -77.9 | 134.6 | 173.2 | 80 | 0 | 0 | 0 | 0 | 109.9 | K293 L294 R295 T299 Q304 | K293-S297 PolarHBondContact O-N 3.16Å; L294-S297 WeakPolarHBondContact O-CB 3.24Å; L294-S297 PolarHBondContact O-N 3.26Å; L294-S297 VanDerWaalsContact O-N 3.08Å; L294-S297 PolarHBondContact O-OG 2.61Å; R295-S297 VanDerWaalsContact C-N 3.26Å; R295-S297 PolarHBondContact O-N 3.36Å; S297-T299 PolarHBondContact O-N 2.93Å; S297-T299 PolarHBondContact OG-OG1 3.09Å; S297-Q304 PolarHBondContact O-NE2 2.72Å |
| 298 | T | 66.1 | Low | 74 | Confident | 156 Ų | 156 | 95.4 Ų | 95.4 | 96% | 0.957 | 47% | 0.471 | S | S | * | . | trans | -70.9 | 25.3 | 179.8 | 52.3 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 299 | T | 69.5 | Low | 73.2 | Confident | 43 Ų | 43 | 89.9 Ų | 89.9 | 26% | 0.264 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -75.3 | 148.3 | 176.3 | -56.6 | 0 | 0 | 0 | 0 | 109.3 | S297 I303 Q304 | S297-T299 PolarHBondContact O-N 2.93Å; S297-T299 PolarHBondContact OG-OG1 3.09Å; T299-I303 HydrophobicContact CG2-CB 3.64Å; T299-I303 HydrophobicContact CG2-CG2 3.43Å; T299-I303 VanDerWaalsContact CG2-CG2 3.43Å; T299-Q304 HydrophobicContact CG2-CG 4.1Å; T299-Q304 PolarHBondContact O-NE2 3.25Å |
| 300 | S | 66.4 | Low | 72.7 | Confident | 59 Ų | 59 | 94.2 Ų | 94.2 | 41% | 0.413 | 47% | 0.473 | S | S | . | . | trans | -57.3 | 142.7 | 175.5 | 62.5 | 0 | 0 | 0 | 0 | 112 | T302 I303 Q304 | S300-T302 PolarHBondContact O-N 3.32Å; S300-T302 VanDerWaalsContact O-N 3.13Å; S300-I303 PolarHBondContact O-N 3.09Å; S300-I303 WeakPolarHBondContact OG-CB 3.45Å; S300-I303 VanDerWaalsContact OG-CD1 3.26Å; S300-I303 WeakPolarHBondContact OG-CD1 3.48Å; S300-I303 VanDerWaalsContact OG-CG1 3.22Å; S300-I303 WeakPolarHBondContact OG-CG1 3.17Å; S300-Q304 WeakPolarHBondContact O-CG 3.36Å; S300-Q304 PolarHBondContact O-N 3.42Å | ||
| 301 | E | 67.2 | Low | 72.1 | Confident | 168 Ų | 168 | 92.8 Ų | 92.8 | 79% | 0.785 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -53.9 | -37.5 | -175.8 | -64.5 | -171.2 | 116.7 | 0 | 0 | 112.6 | Q304 Y305 | E301-Q304 PolarHBondContact O-N 3.04Å; E301-Y305 WeakPolarHBondContact O-CB 3.45Å; E301-Y305 PolarHBondContact O-N 3.35Å |
| 302 | T | 65 | Low | 71.8 | Confident | 101 Ų | 101 | 92 Ų | 92 | 62% | 0.62 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -67.1 | -39.3 | 178 | 54.9 | 0 | 0 | 0 | 0 | 112.9 | S300 R306 | S300-T302 PolarHBondContact O-N 3.32Å; S300-T302 VanDerWaalsContact O-N 3.13Å; T302-R306 WeakPolarHBondContact O-CB 3.42Å; T302-R306 WeakPolarHBondContact O-CG 2.95Å; T302-R306 PolarHBondContact O-N 3.48Å; T302-R306 VanDerWaalsContact O-N 3.09Å |
| 303 | I | 73.2 | Confident | 71.1 | Confident | 82 Ų | 82 | 92.8 Ų | 92.8 | 42% | 0.421 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -72.7 | -37.5 | 175.9 | -65.2 | 173.8 | 0 | 0 | 0 | 110 | T299 S300 K307 | T299-I303 HydrophobicContact CG2-CB 3.64Å; T299-I303 HydrophobicContact CG2-CG2 3.43Å; T299-I303 VanDerWaalsContact CG2-CG2 3.43Å; S300-I303 PolarHBondContact O-N 3.09Å; S300-I303 WeakPolarHBondContact OG-CB 3.45Å; S300-I303 VanDerWaalsContact OG-CD1 3.26Å; S300-I303 WeakPolarHBondContact OG-CD1 3.48Å; S300-I303 VanDerWaalsContact OG-CG1 3.22Å; S300-I303 WeakPolarHBondContact OG-CG1 3.17Å; I303-K307 HydrophobicContact CG2-CD 4.2Å; I303-K307 WeakPolarHBondContact O-CB 3.41Å; I303-K307 VanDerWaalsContact O-CG 3.31Å; I303-K307 WeakPolarHBondContact O-CG 3.44Å; I303-K307 PolarHBondContact O-N 2.93Å |
| 304 | Q | 64.2 | Low | 70.5 | Confident | 24 Ų | 24 | 88.2 Ų | 88.2 | 11% | 0.112 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -60.4 | -50.3 | 174.1 | -66.9 | -175.9 | 22.2 | 0 | 0 | 111.2 | L294 R295 S297 T299 S300 E301 R306 K307 A308 | L294-Q304 PolarHBondContact O-NE2 3.26Å; L294-Q304 PolarHBondContact O-OE1 2.81Å; R295-Q304 VanDerWaalsContact CA-OE1 3.29Å; S297-Q304 PolarHBondContact O-NE2 2.72Å; T299-Q304 HydrophobicContact CG2-CG 4.1Å; T299-Q304 PolarHBondContact O-NE2 3.25Å; S300-Q304 WeakPolarHBondContact O-CG 3.36Å; S300-Q304 PolarHBondContact O-N 3.42Å; E301-Q304 PolarHBondContact O-N 3.04Å; Q304-R306 PolarHBondContact O-N 3.47Å; Q304-K307 PolarHBondContact O-N 3.25Å; Q304-A308 VanDerWaalsContact O-CB 3.29Å; Q304-A308 WeakPolarHBondContact O-CB 3.18Å; Q304-A308 PolarHBondContact O-N 2.73Å |
| 305 | Y | 65.7 | Low | 70.3 | Confident | 164 Ų | 164 | 87.6 Ų | 87.6 | 64% | 0.643 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -60.1 | -44.4 | 179.6 | -173.8 | -97 | 0 | 0 | 0 | 111.5 | E301 K307 A308 V309 | E301-Y305 WeakPolarHBondContact O-CB 3.45Å; E301-Y305 PolarHBondContact O-N 3.35Å; Y305-K307 PolarHBondContact O-N 3.21Å; Y305-A308 WeakPolarHBondContact O-CB 3.35Å; Y305-A308 PolarHBondContact O-N 3.42Å; Y305-V309 HydrophobicContact CD1-CG2 3.89Å; Y305-V309 HydrophobicContact CE1-CG2 3.48Å; Y305-V309 VanDerWaalsContact CE1-CG2 3.48Å; Y305-V309 HydrophobicContact CE2-CG2 4.15Å; Y305-V309 HydrophobicContact CG-CG2 4.38Å; Y305-V309 WeakPolarHBondContact O-CB 3.47Å; Y305-V309 WeakPolarHBondContact O-CG2 3.34Å; Y305-V309 PolarHBondContact O-N 3.03Å |
| 306 | R | 74.9 | Confident | 70.1 | Confident | 196 Ų | 196 | 81.5 Ų | 81.5 | 74% | 0.74 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -61.5 | -41.9 | 175.5 | -77 | 177.8 | 131.6 | -170.4 | -2.1 | 112.9 | T302 Q304 K310 | T302-R306 WeakPolarHBondContact O-CB 3.42Å; T302-R306 WeakPolarHBondContact O-CG 2.95Å; T302-R306 PolarHBondContact O-N 3.48Å; T302-R306 VanDerWaalsContact O-N 3.09Å; Q304-R306 PolarHBondContact O-N 3.47Å; R306-K310 VanDerWaalsContact O-CB 3.24Å; R306-K310 WeakPolarHBondContact O-CB 3.09Å; R306-K310 PolarHBondContact O-N 2.95Å |
| 307 | K | 74.8 | Confident | 69.3 | Low | 109 Ų | 109 | 78 Ų | 78 | 47% | 0.474 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -64.2 | -42.8 | 176.1 | -75.6 | 175.3 | 179.9 | 177.4 | 0 | 111.4 | I303 Q304 Y305 K310 A311 | I303-K307 HydrophobicContact CG2-CD 4.2Å; I303-K307 WeakPolarHBondContact O-CB 3.41Å; I303-K307 VanDerWaalsContact O-CG 3.31Å; I303-K307 WeakPolarHBondContact O-CG 3.44Å; I303-K307 PolarHBondContact O-N 2.93Å; Q304-K307 PolarHBondContact O-N 3.25Å; Y305-K307 PolarHBondContact O-N 3.21Å; K307-K310 PolarHBondContact O-N 2.68Å; K307-A311 WeakPolarHBondContact O-CB 3.41Å; K307-A311 PolarHBondContact O-N 3.32Å |
| 308 | A | 68.6 | Low | 68.8 | Low | 1 Ų | 1 | 76.3 Ų | 76.3 | 1% | 0.008 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -62.7 | -53.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | M291 L294 Q304 Y305 K310 A311 T312 | M291-A308 HydrophobicContact CE-CB 3.43Å; M291-A308 VanDerWaalsContact CE-CB 3.43Å; M291-A308 HydrophobicContact SD-CB 3.38Å; M291-A308 WeakPolarHBondContact SD-CB 3.47Å; L294-A308 HydrophobicContact CD1-CB 3.81Å; Q304-A308 VanDerWaalsContact O-CB 3.29Å; Q304-A308 WeakPolarHBondContact O-CB 3.18Å; Q304-A308 PolarHBondContact O-N 2.73Å; Y305-A308 WeakPolarHBondContact O-CB 3.35Å; Y305-A308 PolarHBondContact O-N 3.42Å; A308-K310 VanDerWaalsContact C-N 3.29Å; A308-K310 PolarHBondContact O-N 3Å; A308-A311 CarbonylContact O-C 3.59Å; A308-A311 WeakPolarHBondContact O-CB 3.46Å; A308-A311 PolarHBondContact O-N 3.09Å; A308-A311 VanDerWaalsContact O-N 3.07Å; A308-T312 PolarHBondContact O-N 3.42Å; A308-T312 PolarHBondContact O-OG1 3.3Å |
| 309 | V | 71.5 | Confident | 68.8 | Low | 51 Ų | 51 | 69.1 Ų | 69.1 | 31% | 0.309 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -58.4 | -43.7 | 176.3 | 171.2 | 0 | 0 | 0 | 0 | 110.5 | Y305 A311 T312 L313 | Y305-V309 HydrophobicContact CD1-CG2 3.89Å; Y305-V309 HydrophobicContact CE1-CG2 3.48Å; Y305-V309 VanDerWaalsContact CE1-CG2 3.48Å; Y305-V309 HydrophobicContact CE2-CG2 4.15Å; Y305-V309 HydrophobicContact CG-CG2 4.38Å; Y305-V309 WeakPolarHBondContact O-CB 3.47Å; Y305-V309 WeakPolarHBondContact O-CG2 3.34Å; Y305-V309 PolarHBondContact O-N 3.03Å; V309-A311 VanDerWaalsContact C-N 3.33Å; V309-A311 PolarHBondContact O-N 3.45Å; V309-T312 PolarHBondContact O-N 3.16Å; V309-L313 HydrophobicContact CG1-CD1 3.79Å; V309-L313 HydrophobicContact CG1-CG 4.15Å; V309-L313 WeakPolarHBondContact O-CB 3.49Å; V309-L313 VanDerWaalsContact O-CG 3.27Å; V309-L313 WeakPolarHBondContact O-CG 3.45Å; V309-L313 PolarHBondContact O-N 3.02Å |
| 310 | K | 75.7 | Confident | 68.7 | Low | 140 Ų | 140 | 67.1 Ų | 67.1 | 61% | 0.609 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -58.9 | -44.9 | 174.9 | -174.7 | 177.8 | -179.8 | 178.3 | 0 | 111.5 | R306 K307 A308 V314 | R306-K310 VanDerWaalsContact O-CB 3.24Å; R306-K310 WeakPolarHBondContact O-CB 3.09Å; R306-K310 PolarHBondContact O-N 2.95Å; K307-K310 PolarHBondContact O-N 2.68Å; A308-K310 VanDerWaalsContact C-N 3.29Å; A308-K310 PolarHBondContact O-N 3Å; K310-V314 WeakPolarHBondContact O-CB 3.21Å; K310-V314 WeakPolarHBondContact O-CG2 3.21Å; K310-V314 PolarHBondContact O-N 3.39Å |
| 311 | A | 69.7 | Low | 68.7 | Low | 27 Ų | 27 | 65.7 Ų | 65.7 | 22% | 0.223 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.7 | -42.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L290 K307 A308 V309 V314 L315 | L290-A311 HydrophobicContact CD2-CB 3.66Å; K307-A311 WeakPolarHBondContact O-CB 3.41Å; K307-A311 PolarHBondContact O-N 3.32Å; A308-A311 CarbonylContact O-C 3.59Å; A308-A311 WeakPolarHBondContact O-CB 3.46Å; A308-A311 PolarHBondContact O-N 3.09Å; A308-A311 VanDerWaalsContact O-N 3.07Å; V309-A311 VanDerWaalsContact C-N 3.33Å; V309-A311 PolarHBondContact O-N 3.45Å; A311-V314 WeakPolarHBondContact O-CB 3.34Å; A311-V314 PolarHBondContact O-N 3.39Å; A311-L315 WeakPolarHBondContact O-CB 3.01Å; A311-L315 WeakPolarHBondContact O-CD1 3.04Å; A311-L315 WeakPolarHBondContact O-CG 3.28Å; A311-L315 PolarHBondContact O-N 2.9Å |
| 312 | T | 71.1 | Confident | 68.8 | Low | 37 Ų | 37 | 57.9 Ų | 57.9 | 23% | 0.227 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.7 | -42.4 | 177.3 | -57 | 0 | 0 | 0 | 0 | 111.8 | V287 A308 V309 V314 L315 L316 | V287-T312 HydrophobicContact CG2-CG2 4.39Å; A308-T312 PolarHBondContact O-N 3.42Å; A308-T312 PolarHBondContact O-OG1 3.3Å; V309-T312 PolarHBondContact O-N 3.16Å; T312-V314 VanDerWaalsContact C-N 3.29Å; T312-V314 PolarHBondContact O-N 3.33Å; T312-L315 CarbonylContact O-C 3.6Å; T312-L315 PolarHBondContact O-N 2.99Å; T312-L315 VanDerWaalsContact O-N 3.11Å; T312-L316 PolarHBondContact O-N 3.13Å |
| 313 | L | 70.2 | Confident | 68.9 | Low | 107 Ų | 107 | 54 Ų | 54 | 56% | 0.56 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -63.8 | -34.6 | 175.1 | -72.9 | 175.3 | 0 | 0 | 0 | 112.2 | V309 P317 | V309-L313 HydrophobicContact CG1-CD1 3.79Å; V309-L313 HydrophobicContact CG1-CG 4.15Å; V309-L313 WeakPolarHBondContact O-CB 3.49Å; V309-L313 VanDerWaalsContact O-CG 3.27Å; V309-L313 WeakPolarHBondContact O-CG 3.45Å; V309-L313 PolarHBondContact O-N 3.02Å; L313-P317 WeakPolarHBondContact O-CD 3.31Å |
| 314 | V | 68.5 | Low | 68.5 | Low | 30 Ų | 30 | 51.5 Ų | 51.5 | 18% | 0.182 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.3 | -42.5 | 171.6 | 169.9 | 0 | 0 | 0 | 0 | 110.7 | K310 A311 T312 P317 L318 F358 | K310-V314 WeakPolarHBondContact O-CB 3.21Å; K310-V314 WeakPolarHBondContact O-CG2 3.21Å; K310-V314 PolarHBondContact O-N 3.39Å; A311-V314 WeakPolarHBondContact O-CB 3.34Å; A311-V314 PolarHBondContact O-N 3.39Å; T312-V314 VanDerWaalsContact C-N 3.29Å; T312-V314 PolarHBondContact O-N 3.33Å; V314-P317 WeakPolarHBondContact O-CD 3.31Å; V314-L318 HydrophobicContact CG1-CD1 4.01Å; V314-L318 WeakPolarHBondContact O-CD1 3.39Å; V314-L318 WeakPolarHBondContact O-CG 3.34Å; V314-F358 HydrophobicContact CB-CD1 4.16Å; V314-F358 HydrophobicContact CB-CD2 4.27Å; V314-F358 HydrophobicContact CB-CE1 4.22Å; V314-F358 HydrophobicContact CB-CE2 4.33Å; V314-F358 HydrophobicContact CB-CG 4.19Å; V314-F358 HydrophobicContact CB-CZ 4.3Å; V314-F358 HydrophobicContact CG1-CB 3.75Å; V314-F358 HydrophobicContact CG1-CD1 3.87Å; V314-F358 HydrophobicContact CG1-CD2 3.87Å; V314-F358 HydrophobicContact CG1-CE1 4.42Å; V314-F358 HydrophobicContact CG1-CE2 4.43Å; V314-F358 HydrophobicContact CG1-CG 3.56Å; V314-F358 HydrophobicContact CG2-CD1 3.49Å; V314-F358 VanDerWaalsContact CG2-CD1 3.49Å; V314-F358 HydrophobicContact CG2-CD2 4.38Å; V314-F358 HydrophobicContact CG2-CE1 3.33Å; V314-F358 HydrophobicContact CG2-CE2 4.25Å; V314-F358 HydrophobicContact CG2-CG 4.03Å; V314-F358 HydrophobicContact CG2-CZ 3.74Å |
| 315 | L | 68.7 | Low | 68.5 | Low | 19 Ų | 19 | 53.4 Ų | 53.4 | 10% | 0.099 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -73.4 | -23 | -177.7 | -70.7 | 165.2 | 0 | 0 | 0 | 113.7 | L209 L283 I286 V287 A311 T312 L318 L319 | L209-L315 HydrophobicContact CD2-CD2 3.83Å; L283-L315 HydrophobicContact CD1-CB 3.68Å; L283-L315 HydrophobicContact CD1-CD1 4.1Å; L283-L315 HydrophobicContact CD1-CG 4.41Å; I286-L315 HydrophobicContact CG2-CD1 4.3Å; V287-L315 HydrophobicContact CG2-CD1 4.49Å; A311-L315 WeakPolarHBondContact O-CB 3.01Å; A311-L315 WeakPolarHBondContact O-CD1 3.04Å; A311-L315 WeakPolarHBondContact O-CG 3.28Å; A311-L315 PolarHBondContact O-N 2.9Å; T312-L315 CarbonylContact O-C 3.6Å; T312-L315 PolarHBondContact O-N 2.99Å; T312-L315 VanDerWaalsContact O-N 3.11Å; L315-L318 HydrophobicContact CD2-CD1 4.38Å; L315-L318 WeakPolarHBondContact O-CB 3.33Å; L315-L318 PolarHBondContact O-N 2.9Å; L315-L319 PolarHBondContact O-N 2.98Å |
| 316 | L | 69.7 | Low | 68.2 | Low | 70 Ų | 70 | 50.8 Ų | 50.8 | 37% | 0.366 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64.6 | -48.4 | -174.7 | -165.8 | 99.2 | 0 | 0 | 0 | 113.2 | T312 L318 I321 | T312-L316 PolarHBondContact O-N 3.13Å; L316-L318 PolarHBondContact O-N 3.26Å; L316-I321 HydrophobicContact CD1-CD1 4.18Å; L316-I321 HydrophobicContact CD1-CG2 4.27Å |
| 317 | P | 62.3 | Low | 67.5 | Low | 14 Ų | 14 | 46.9 Ų | 46.9 | 9% | 0.091 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.7 | -27 | 173.7 | -20.8 | 32.8 | 0 | 0 | 0 | 113.6 | L313 V314 Q351 F354 | L313-P317 WeakPolarHBondContact O-CD 3.31Å; V314-P317 WeakPolarHBondContact O-CD 3.31Å; P317-Q351 PolarHBondContact O-NE2 2.02Å; P317-F354 HydrophobicContact CB-CB 3.95Å; P317-F354 HydrophobicContact CB-CD2 4.28Å; P317-F354 HydrophobicContact CB-CG 4.46Å; P317-F354 HydrophobicContact CG-CB 4.01Å; P317-F354 HydrophobicContact CG-CD2 4.16Å; P317-F354 HydrophobicContact CG-CG 4.2Å |
| 318 | L | 62.8 | Low | 66.9 | Low | 4 Ų | 4 | 46.4 Ų | 46.4 | 2% | 0.021 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -72.5 | -31.1 | -170.3 | -71.7 | 170.6 | 0 | 0 | 0 | 113.3 | V314 L315 L316 V355 Y359 | V314-L318 HydrophobicContact CG1-CD1 4.01Å; V314-L318 WeakPolarHBondContact O-CD1 3.39Å; V314-L318 WeakPolarHBondContact O-CG 3.34Å; L315-L318 HydrophobicContact CD2-CD1 4.38Å; L315-L318 WeakPolarHBondContact O-CB 3.33Å; L315-L318 PolarHBondContact O-N 2.9Å; L316-L318 PolarHBondContact O-N 3.26Å; L318-V355 HydrophobicContact CD2-CB 4.28Å; L318-V355 HydrophobicContact CD2-CG1 4.22Å; L318-V355 HydrophobicContact CD2-CG2 3.77Å; L318-Y359 HydrophobicContact CD1-CE1 3.52Å; L318-Y359 HydrophobicContact CD1-CE2 4.36Å; L318-Y359 VanDerWaalsContact CD1-CZ 3.44Å; L318-Y359 WeakPolarHBondContact CD1-OH 3.06Å; L318-Y359 HydrophobicContact CD2-CD2 4.05Å; L318-Y359 HydrophobicContact CD2-CE1 3.92Å; L318-Y359 HydrophobicContact CD2-CE2 3.22Å; L318-Y359 VanDerWaalsContact CD2-OH 3.23Å; L318-Y359 WeakPolarHBondContact CD2-OH 3.43Å; L318-Y359 HydrophobicContact CG-CE1 4.36Å; L318-Y359 HydrophobicContact CG-CE2 4.37Å |
| 319 | L | 65.8 | Low | 66.4 | Low | 6 Ų | 6 | 53.1 Ų | 53.1 | 3% | 0.031 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | 10.6 | -173.9 | -66.3 | 172.9 | 0 | 0 | 0 | 113.9 | N279 L283 L315 I321 | N279-L319 HydrophobicContact CB-CB 4.34Å; N279-L319 HydrophobicContact CB-CD2 4.3Å; L283-L319 HydrophobicContact CB-CD1 3.42Å; L283-L319 VanDerWaalsContact CB-CD1 3.42Å; L283-L319 HydrophobicContact CD1-CD1 3.64Å; L283-L319 HydrophobicContact CD2-CD1 4.36Å; L283-L319 HydrophobicContact CG-CD1 3.95Å; L315-L319 PolarHBondContact O-N 2.98Å; L319-I321 VanDerWaalsContact C-N 3.26Å; L319-I321 HydrophobicContact CB-CG1 4.5Å; L319-I321 PolarHBondContact O-N 3.15Å |
| 320 | G | 65.8 | Low | 66 | Low | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71 | 19.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | L276 T322 Y323 | L276-G320 WeakPolarHBondContact CD2-O 3.49Å; G320-T322 PolarHBondContact O-N 3.01Å; G320-T322 VanDerWaalsContact O-N 3.12Å; G320-Y323 WeakPolarHBondContact O-CB 3.44Å; G320-Y323 PolarHBondContact O-N 3.32Å |
| 321 | I | 66.3 | Low | 65.3 | Low | 29 Ų | 29 | 47.5 Ų | 47.5 | 15% | 0.149 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.3 | -25.1 | 179 | -68.2 | 177.1 | 0 | 0 | 0 | 111.9 | F280 L283 L316 L319 Y323 M324 | F280-I321 HydrophobicContact CD2-CD1 4.09Å; F280-I321 HydrophobicContact CD2-CG1 4.36Å; L283-I321 HydrophobicContact CD2-CD1 3.14Å; L283-I321 HydrophobicContact CG-CD1 4.47Å; L316-I321 HydrophobicContact CD1-CD1 4.18Å; L316-I321 HydrophobicContact CD1-CG2 4.27Å; L319-I321 VanDerWaalsContact C-N 3.26Å; L319-I321 HydrophobicContact CB-CG1 4.5Å; L319-I321 PolarHBondContact O-N 3.15Å; I321-Y323 PolarHBondContact O-N 3.04Å; I321-Y323 VanDerWaalsContact O-N 3.13Å; I321-M324 WeakPolarHBondContact O-CB 3.35Å; I321-M324 PolarHBondContact O-N 2.74Å |
| 322 | T | 70 | Confident | 65.3 | Low | 5 Ų | 5 | 55 Ų | 55 | 3% | 0.031 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -52.6 | -33.5 | 171.5 | 60.6 | 0 | 0 | 0 | 0 | 111.8 | G320 L325 L347 | G320-T322 PolarHBondContact O-N 3.01Å; G320-T322 VanDerWaalsContact O-N 3.12Å; T322-L325 WeakPolarHBondContact O-CB 3.23Å; T322-L347 HydrophobicContact CG2-CB 3.64Å; T322-L347 HydrophobicContact CG2-CD1 4.02Å; T322-L347 HydrophobicContact CG2-CD2 4.12Å; T322-L347 HydrophobicContact CG2-CG 4.14Å |
| 323 | Y | 67.7 | Low | 65.7 | Low | 19 Ų | 19 | 58.6 Ų | 58.6 | 8% | 0.075 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -81.8 | -18.5 | 176.8 | -64.9 | -83.6 | 0 | 0 | 0 | 113.8 | R162 F199 G320 I321 L325 F326 Q348 | R162-Y323 PolarHBondContact NH1-OH 2.97Å; F199-Y323 HydrophobicContact CE1-CD1 4.25Å; F199-Y323 AromaticContact CE1-CD2 3.42Å; F199-Y323 HydrophobicContact CE1-CD2 3.42Å; F199-Y323 VanDerWaalsContact CE1-CD2 3.42Å; F199-Y323 HydrophobicContact CE1-CE1 4.46Å; F199-Y323 AromaticContact CE1-CE2 3.67Å; F199-Y323 HydrophobicContact CE1-CE2 3.67Å; F199-Y323 AromaticContact CE1-CG 3.71Å; F199-Y323 HydrophobicContact CE1-CG 3.71Å; F199-Y323 AromaticContact CZ-CD1 3.67Å; F199-Y323 HydrophobicContact CZ-CD1 3.67Å; F199-Y323 AromaticContact CZ-CD2 3.64Å; F199-Y323 HydrophobicContact CZ-CD2 3.64Å; F199-Y323 AromaticContact CZ-CE1 3.68Å; F199-Y323 HydrophobicContact CZ-CE1 3.68Å; F199-Y323 AromaticContact CZ-CE2 3.63Å; F199-Y323 HydrophobicContact CZ-CE2 3.63Å; F199-Y323 AromaticContact CZ-CG 3.63Å; F199-Y323 HydrophobicContact CZ-CG 3.63Å; F199-Y323 AromaticContact CZ-CZ 3.63Å; G320-Y323 WeakPolarHBondContact O-CB 3.44Å; G320-Y323 PolarHBondContact O-N 3.32Å; I321-Y323 PolarHBondContact O-N 3.04Å; I321-Y323 VanDerWaalsContact O-N 3.13Å; Y323-L325 PolarHBondContact O-N 3.16Å; Y323-F326 HydrophobicContact CD1-CD2 4.43Å; Y323-F326 HydrophobicContact CD1-CE2 4.12Å; Y323-F326 WeakPolarHBondContact O-CB 3.01Å; Y323-F326 WeakPolarHBondContact O-CD2 3.5Å; Y323-F326 PolarHBondContact O-N 2.95Å; Y323-Q348 HydrophobicContact CE1-CG 4.25Å; Y323-Q348 WeakPolarHBondContact OH-CG 3.2Å; Y323-Q348 PolarHBondContact OH-NE2 3.41Å |
| 324 | M | 63.9 | Low | 66 | Low | 30 Ų | 30 | 56.4 Ų | 56.4 | 15% | 0.148 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -69 | -19.3 | 172.8 | -78.8 | -74.9 | 144.6 | 0 | 0 | 112.2 | L276 L277 I321 F326 F327 | L276-M324 HydrophobicContact CB-CE 3.14Å; L276-M324 HydrophobicContact CD1-CE 4.09Å; L276-M324 HydrophobicContact CG-CE 4.24Å; L277-M324 HydrophobicContact CD2-CE 3.92Å; L277-M324 HydrophobicContact CD2-SD 4.13Å; L277-M324 HydrophobicContact CG-CE 3.98Å; I321-M324 WeakPolarHBondContact O-CB 3.35Å; I321-M324 PolarHBondContact O-N 2.74Å; M324-F326 PolarHBondContact O-N 3.14Å; M324-F327 HydrophobicContact CE-CD2 4.09Å; M324-F327 HydrophobicContact CE-CE2 3.68Å; M324-F327 PolarHBondContact O-N 3.12Å; M324-F327 HydrophobicContact SD-CD2 3.58Å; M324-F327 VanDerWaalsContact SD-CD2 3.58Å; M324-F327 HydrophobicContact SD-CE2 3.83Å |
| 325 | L | 64 | Low | 66.5 | Low | 64 Ų | 64 | 60.4 Ų | 60.4 | 34% | 0.335 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -58.1 | -28.5 | 172.9 | -64.4 | 174.6 | 0 | 0 | 0 | 111.5 | T322 Y323 F327 V328 F340 L347 | T322-L325 WeakPolarHBondContact O-CB 3.23Å; Y323-L325 PolarHBondContact O-N 3.16Å; L325-F327 PolarHBondContact O-N 2.84Å; L325-F327 VanDerWaalsContact O-N 3.17Å; L325-V328 WeakPolarHBondContact O-CB 3.27Å; L325-V328 PolarHBondContact O-N 3.35Å; L325-F340 HydrophobicContact CB-CE2 3.82Å; L325-F340 VanDerWaalsContact O-CE2 3.24Å; L325-F340 WeakPolarHBondContact O-CE2 3.47Å; L325-L347 HydrophobicContact CD1-CD1 3.85Å |
| 326 | F | 60.4 | Low | 67.1 | Low | 108 Ų | 108 | 61.8 Ų | 61.8 | 47% | 0.474 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -60.6 | -22.9 | 175.5 | -78.9 | -82.9 | 0 | 0 | 0 | 114.5 | Y323 M324 F340 N344 | Y323-F326 HydrophobicContact CD1-CD2 4.43Å; Y323-F326 HydrophobicContact CD1-CE2 4.12Å; Y323-F326 WeakPolarHBondContact O-CB 3.01Å; Y323-F326 WeakPolarHBondContact O-CD2 3.5Å; Y323-F326 PolarHBondContact O-N 2.95Å; M324-F326 PolarHBondContact O-N 3.14Å; F326-F340 HydrophobicContact CD1-CE1 4.28Å; F326-F340 AromaticContact CD1-CZ 3.87Å; F326-F340 HydrophobicContact CD1-CZ 3.87Å; F326-F340 HydrophobicContact CE1-CE1 4.29Å; F326-F340 HydrophobicContact CE1-CZ 4.2Å; F326-F340 HydrophobicContact CG-CZ 4.12Å; F326-N344 VanDerWaalsContact CE2-OD1 3.31Å; F326-N344 WeakPolarHBondContact CE2-OD1 3.5Å; F326-N344 WeakPolarHBondContact CZ-ND2 3.43Å |
| 327 | F | 59.2 | Low | 67.4 | Low | 115 Ų | 115 | 61.6 Ų | 61.6 | 50% | 0.504 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -82 | -19.7 | 174.7 | -70.3 | -71.2 | 0 | 0 | 0 | 113.3 | I273 M324 L325 N329 | I273-F327 HydrophobicContact CB-CZ 4.03Å; I273-F327 HydrophobicContact CD1-CE1 4.2Å; I273-F327 HydrophobicContact CD1-CZ 3.67Å; I273-F327 HydrophobicContact CG1-CE2 4.25Å; I273-F327 HydrophobicContact CG1-CZ 3.56Å; I273-F327 HydrophobicContact CG2-CE1 4.26Å; I273-F327 HydrophobicContact CG2-CE2 4.06Å; I273-F327 HydrophobicContact CG2-CZ 3.4Å; M324-F327 HydrophobicContact CE-CD2 4.09Å; M324-F327 HydrophobicContact CE-CE2 3.68Å; M324-F327 PolarHBondContact O-N 3.12Å; M324-F327 HydrophobicContact SD-CD2 3.58Å; M324-F327 VanDerWaalsContact SD-CD2 3.58Å; M324-F327 HydrophobicContact SD-CE2 3.83Å; L325-F327 PolarHBondContact O-N 2.84Å; L325-F327 VanDerWaalsContact O-N 3.17Å; F327-N329 VanDerWaalsContact C-N 3.35Å; F327-N329 PolarHBondContact O-N 2.58Å; F327-N329 VanDerWaalsContact O-N 3.1Å |
| 328 | V | 63.1 | Low | 68.3 | Low | 99 Ų | 99 | 62 Ų | 62 | 60% | 0.6 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -81.2 | 94.3 | 172 | -174.8 | 0 | 0 | 0 | 0 | 105.6 | L325 P330 | L325-V328 WeakPolarHBondContact O-CB 3.27Å; L325-V328 PolarHBondContact O-N 3.35Å; V328-P330 WeakPolarHBondContact O-CD 3.03Å |
| 329 | N | 57.7 | Low | 69.2 | Low | 141 Ų | 141 | 66 Ų | 66 | 75% | 0.754 | 35% | 0.347 | S | S | * | . | trans | -50.8 | 115.3 | 177.2 | -155.5 | -13.7 | 0 | 0 | 0 | 107.7 | F327 G331 | F327-N329 VanDerWaalsContact C-N 3.35Å; F327-N329 PolarHBondContact O-N 2.58Å; F327-N329 VanDerWaalsContact O-N 3.1Å; N329-G331 PolarHBondContact O-N 2.84Å; N329-G331 VanDerWaalsContact O-N 3.1Å | ||
| 330 | P | 63.9 | Low | 70 | Confident | 38 Ų | 38 | 67.7 Ų | 67.7 | 25% | 0.247 | 35% | 0.354 | C | S | . | . | trans | -60 | 123.7 | 175.6 | 26.5 | -32.5 | 0 | 0 | 0 | 105.6 | V328 Q337 F340 | V328-P330 WeakPolarHBondContact O-CD 3.03Å; P330-Q337 HydrophobicContact CB-CG 3.99Å; P330-Q337 HydrophobicContact CG-CG 4.23Å; P330-F340 HydrophobicContact CB-CB 4.08Å; P330-F340 HydrophobicContact CB-CG 4.21Å; P330-F340 HydrophobicContact CG-CD1 4.37Å; P330-F340 HydrophobicContact CG-CG 4.46Å | ||
| 331 | G | 61.5 | Low | 70.7 | Confident | 35 Ų | 35 | 70 Ų | 70 | 36% | 0.361 | 37% | 0.366 | S | S | . | . | trans | -51 | 162.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | N329 D333 | N329-G331 PolarHBondContact O-N 2.84Å; N329-G331 VanDerWaalsContact O-N 3.1Å; G331-D333 PolarHBondContact O-N 3.11Å | ||
| 332 | E | 69.5 | Low | 71.6 | Confident | 186 Ų | 186 | 71.4 Ų | 71.4 | 87% | 0.869 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -58.3 | -13.9 | -179.6 | -64.3 | 178.7 | 176.1 | 0 | 0 | 113.3 | ||
| 333 | D | 78.1 | Confident | 72.2 | Confident | 111 Ų | 111 | 77 Ų | 77 | 59% | 0.594 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -65.4 | 130.4 | 175.6 | -59.8 | -42.2 | 0 | 0 | 0 | 113.2 | G331 L335 S336 Q337 | G331-D333 PolarHBondContact O-N 3.11Å; D333-L335 VanDerWaalsContact C-N 3.26Å; D333-L335 PolarHBondContact O-N 3.3Å; D333-S336 WeakPolarHBondContact O-CB 3.27Å; D333-S336 PolarHBondContact O-N 3.11Å; D333-Q337 PolarHBondContact O-N 3.44Å |
| 334 | D | 76.4 | Confident | 72.8 | Confident | 61 Ų | 61 | 76.9 Ų | 76.9 | 33% | 0.326 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -59.5 | -37.5 | -179.1 | -68.4 | -28.5 | 0 | 0 | 0 | 113.4 | K105 Y109 S336 Q337 I338 | K105-D334 WeakPolarHBondContact CE-OD1 3.33Å; K105-D334 IonicContact NZ-OD1 2.84Å; K105-D334 PolarHBondContact NZ-OD1 3.5Å; K105-D334 IonicContact NZ-OD2 2.58Å; K105-D334 PolarHBondContact NZ-OD2 3.49Å; Y109-D334 HydrophobicContact CE2-CB 4.24Å; Y109-D334 WeakPolarHBondContact CE2-OD1 3.2Å; Y109-D334 WeakPolarHBondContact OH-CA 3.31Å; Y109-D334 WeakPolarHBondContact OH-CB 3.39Å; Y109-D334 PolarHBondContact OH-OD1 2.95Å; D334-S336 VanDerWaalsContact C-N 3.3Å; D334-S336 PolarHBondContact O-N 3.27Å; D334-Q337 PolarHBondContact O-N 2.85Å; D334-I338 WeakPolarHBondContact O-CB 3.27Å; D334-I338 WeakPolarHBondContact O-CD1 3.39Å; D334-I338 VanDerWaalsContact O-CG1 3.23Å; D334-I338 WeakPolarHBondContact O-CG1 3.31Å; D334-I338 PolarHBondContact O-N 3.29Å |
| 335 | L | 80.3 | Confident | 73.8 | Confident | 115 Ų | 115 | 76.3 Ų | 76.3 | 60% | 0.602 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -62.7 | -38.9 | 177.3 | -176.8 | 63.5 | 0 | 0 | 0 | 111.7 | D333 M339 | D333-L335 VanDerWaalsContact C-N 3.26Å; D333-L335 PolarHBondContact O-N 3.3Å; L335-M339 HydrophobicContact CD1-CE 3.8Å; L335-M339 HydrophobicContact CD1-CG 4.16Å; L335-M339 HydrophobicContact CG-CG 4.35Å; L335-M339 VanDerWaalsContact O-CB 3.3Å; L335-M339 WeakPolarHBondContact O-CB 3.16Å; L335-M339 WeakPolarHBondContact O-CG 3.35Å; L335-M339 PolarHBondContact O-N 3.38Å |
| 336 | S | 79.8 | Confident | 74.9 | Confident | 48 Ų | 48 | 77.4 Ų | 77.4 | 34% | 0.336 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -67.1 | -42.8 | -179.1 | -65.3 | 0 | 0 | 0 | 0 | 111 | D333 D334 F340 | D333-S336 WeakPolarHBondContact O-CB 3.27Å; D333-S336 PolarHBondContact O-N 3.11Å; D334-S336 VanDerWaalsContact C-N 3.3Å; D334-S336 PolarHBondContact O-N 3.27Å; S336-F340 WeakPolarHBondContact O-CB 3.31Å; S336-F340 PolarHBondContact O-N 2.97Å |
| 337 | Q | 77.6 | Confident | 76.1 | Confident | 65 Ų | 65 | 74 Ų | 74 | 30% | 0.304 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -65.2 | -46 | 176.1 | -63.2 | -174.2 | 15.2 | 0 | 0 | 111.9 | Y109 P330 D333 D334 F340 I341 | Y109-Q337 HydrophobicContact CE1-CB 4.02Å; Y109-Q337 PolarHBondContact OH-OE1 3.48Å; Y109-Q337 VanDerWaalsContact OH-OE1 3.06Å; P330-Q337 HydrophobicContact CB-CG 3.99Å; P330-Q337 HydrophobicContact CG-CG 4.23Å; D333-Q337 PolarHBondContact O-N 3.44Å; D334-Q337 PolarHBondContact O-N 2.85Å; Q337-F340 WeakPolarHBondContact O-CB 3.42Å; Q337-F340 PolarHBondContact O-N 2.93Å; Q337-I341 VanDerWaalsContact O-CG1 3.3Å; Q337-I341 WeakPolarHBondContact O-CG1 3.46Å; Q337-I341 PolarHBondContact O-N 3.04Å |
| 338 | I | 80.6 | Confident | 77.3 | Confident | 22 Ų | 22 | 71 Ų | 71 | 11% | 0.113 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -61.7 | -47.9 | 178.4 | -68.9 | 163.6 | 0 | 0 | 0 | 110.6 | Y109 H112 D334 F340 I341 Y342 | Y109-I338 HydrophobicContact CD1-CG1 4.43Å; Y109-I338 HydrophobicContact CE1-CG1 4.12Å; H112-I338 HydrophobicContact CB-CG1 4.46Å; H112-I338 HydrophobicContact CB-CG2 4.22Å; D334-I338 WeakPolarHBondContact O-CB 3.27Å; D334-I338 WeakPolarHBondContact O-CD1 3.39Å; D334-I338 VanDerWaalsContact O-CG1 3.23Å; D334-I338 WeakPolarHBondContact O-CG1 3.31Å; D334-I338 PolarHBondContact O-N 3.29Å; I338-F340 VanDerWaalsContact C-N 3.32Å; I338-F340 PolarHBondContact O-N 2.99Å; I338-I341 PolarHBondContact O-N 3.26Å; I338-Y342 HydrophobicContact CG2-CD2 3.7Å; I338-Y342 HydrophobicContact CG2-CE2 3.5Å; I338-Y342 VanDerWaalsContact CG2-CE2 3.5Å; I338-Y342 WeakPolarHBondContact O-CD2 3.37Å; I338-Y342 PolarHBondContact O-N 2.9Å; I338-Y342 VanDerWaalsContact O-N 3.07Å |
| 339 | M | 82.6 | Confident | 78.6 | Confident | 90 Ų | 90 | 66.2 Ų | 66.2 | 44% | 0.443 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60.7 | -43.8 | 177.1 | -72.8 | -64.9 | 175.5 | 0 | 0 | 111.2 | L335 I341 Y342 F343 | L335-M339 HydrophobicContact CD1-CE 3.8Å; L335-M339 HydrophobicContact CD1-CG 4.16Å; L335-M339 HydrophobicContact CG-CG 4.35Å; L335-M339 VanDerWaalsContact O-CB 3.3Å; L335-M339 WeakPolarHBondContact O-CB 3.16Å; L335-M339 WeakPolarHBondContact O-CG 3.35Å; L335-M339 PolarHBondContact O-N 3.38Å; M339-I341 PolarHBondContact O-N 2.85Å; M339-Y342 PolarHBondContact O-N 3.35Å; M339-F343 HydrophobicContact CB-CD2 4.27Å; M339-F343 HydrophobicContact CB-CE2 4.38Å; M339-F343 WeakPolarHBondContact O-CB 3.35Å; M339-F343 WeakPolarHBondContact O-CD2 3.38Å; M339-F343 PolarHBondContact O-N 2.94Å; M339-F343 HydrophobicContact SD-CE2 4.37Å |
| 340 | F | 80.9 | Confident | 80.2 | Confident | 41 Ų | 41 | 61.3 Ų | 61.3 | 18% | 0.18 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -56.6 | -47.4 | 176.5 | 177.2 | -97.4 | 0 | 0 | 0 | 112.2 | L325 F326 P330 S336 Q337 I338 Y342 F343 N344 | L325-F340 HydrophobicContact CB-CE2 3.82Å; L325-F340 VanDerWaalsContact O-CE2 3.24Å; L325-F340 WeakPolarHBondContact O-CE2 3.47Å; F326-F340 HydrophobicContact CD1-CE1 4.28Å; F326-F340 AromaticContact CD1-CZ 3.87Å; F326-F340 HydrophobicContact CD1-CZ 3.87Å; F326-F340 HydrophobicContact CE1-CE1 4.29Å; F326-F340 HydrophobicContact CE1-CZ 4.2Å; F326-F340 HydrophobicContact CG-CZ 4.12Å; P330-F340 HydrophobicContact CB-CB 4.08Å; P330-F340 HydrophobicContact CB-CG 4.21Å; P330-F340 HydrophobicContact CG-CD1 4.37Å; P330-F340 HydrophobicContact CG-CG 4.46Å; S336-F340 WeakPolarHBondContact O-CB 3.31Å; S336-F340 PolarHBondContact O-N 2.97Å; Q337-F340 WeakPolarHBondContact O-CB 3.42Å; Q337-F340 PolarHBondContact O-N 2.93Å; I338-F340 VanDerWaalsContact C-N 3.32Å; I338-F340 PolarHBondContact O-N 2.99Å; F340-Y342 PolarHBondContact O-N 3.06Å; F340-F343 PolarHBondContact O-N 2.93Å; F340-N344 VanDerWaalsContact O-CB 3.25Å; F340-N344 WeakPolarHBondContact O-CB 3.43Å; F340-N344 PolarHBondContact O-N 2.71Å |
| 341 | I | 80.8 | Confident | 81.4 | Confident | 49 Ų | 49 | 59.5 Ų | 59.5 | 25% | 0.251 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59.9 | -45.9 | 177.5 | -68 | 164 | 0 | 0 | 0 | 111 | A116 Q337 I338 M339 S345 | A116-I341 HydrophobicContact CB-CG2 3.68Å; Q337-I341 VanDerWaalsContact O-CG1 3.3Å; Q337-I341 WeakPolarHBondContact O-CG1 3.46Å; Q337-I341 PolarHBondContact O-N 3.04Å; I338-I341 PolarHBondContact O-N 3.26Å; M339-I341 PolarHBondContact O-N 2.85Å; I341-S345 WeakPolarHBondContact O-CB 3.22Å; I341-S345 PolarHBondContact O-N 3.02Å; I341-S345 PolarHBondContact O-OG 2.71Å |
| 342 | Y | 85.5 | Confident | 82.9 | Confident | 57 Ų | 57 | 57.9 Ų | 57.9 | 22% | 0.224 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.5 | -48 | 178.8 | -80.2 | -63.2 | 0 | 0 | 0 | 112.8 | H112 I115 A116 I338 M339 F340 S345 F346 | H112-Y342 HydrophobicContact CB-CE2 4.31Å; H112-Y342 AromaticContact ND1-CE2 3.44Å; H112-Y342 WeakPolarHBondContact ND1-CE2 3.44Å; H112-Y342 AromaticContact ND1-CZ 3.63Å; H112-Y342 PolarHBondContact ND1-OH 2.84Å; I115-Y342 HydrophobicContact CB-CE1 4.25Å; I115-Y342 WeakPolarHBondContact CB-OH 3.42Å; I115-Y342 HydrophobicContact CG2-CE1 3.8Å; I115-Y342 WeakPolarHBondContact CG2-OH 3.35Å; A116-Y342 HydrophobicContact CB-CD1 4.25Å; A116-Y342 HydrophobicContact CB-CE1 4.18Å; I338-Y342 HydrophobicContact CG2-CD2 3.7Å; I338-Y342 HydrophobicContact CG2-CE2 3.5Å; I338-Y342 VanDerWaalsContact CG2-CE2 3.5Å; I338-Y342 WeakPolarHBondContact O-CD2 3.37Å; I338-Y342 PolarHBondContact O-N 2.9Å; I338-Y342 VanDerWaalsContact O-N 3.07Å; M339-Y342 PolarHBondContact O-N 3.35Å; F340-Y342 PolarHBondContact O-N 3.06Å; Y342-S345 PolarHBondContact O-N 2.66Å; Y342-F346 WeakPolarHBondContact O-CB 3.25Å; Y342-F346 PolarHBondContact O-N 3.08Å |
| 343 | F | 82.9 | Confident | 84 | Confident | 123 Ų | 123 | 52.1 Ų | 52.1 | 54% | 0.539 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.6 | -46.2 | 179.4 | -84.4 | -67.7 | 0 | 0 | 0 | 111.1 | M339 F340 F346 L347 | M339-F343 HydrophobicContact CB-CD2 4.27Å; M339-F343 HydrophobicContact CB-CE2 4.38Å; M339-F343 WeakPolarHBondContact O-CB 3.35Å; M339-F343 WeakPolarHBondContact O-CD2 3.38Å; M339-F343 PolarHBondContact O-N 2.94Å; M339-F343 HydrophobicContact SD-CE2 4.37Å; F340-F343 PolarHBondContact O-N 2.93Å; F343-F346 PolarHBondContact O-N 2.51Å; F343-L347 VanDerWaalsContact O-CB 3.25Å; F343-L347 WeakPolarHBondContact O-CB 3.47Å; F343-L347 WeakPolarHBondContact O-CG 3.23Å; F343-L347 PolarHBondContact O-N 3.09Å |
| 344 | N | 81.2 | Confident | 84.5 | Confident | 17 Ų | 17 | 49.3 Ų | 49.3 | 9% | 0.091 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.7 | -47.7 | 177.9 | -176.9 | 55.5 | 0 | 0 | 0 | 111.4 | F326 F340 F346 L347 Q348 | F326-N344 VanDerWaalsContact CE2-OD1 3.31Å; F326-N344 WeakPolarHBondContact CE2-OD1 3.5Å; F326-N344 WeakPolarHBondContact CZ-ND2 3.43Å; F340-N344 VanDerWaalsContact O-CB 3.25Å; F340-N344 WeakPolarHBondContact O-CB 3.43Å; F340-N344 PolarHBondContact O-N 2.71Å; N344-F346 VanDerWaalsContact C-N 3.33Å; N344-F346 PolarHBondContact O-N 2.82Å; N344-L347 PolarHBondContact O-N 3.09Å; N344-Q348 WeakPolarHBondContact O-CB 3.49Å; N344-Q348 PolarHBondContact O-N 3.35Å |
| 345 | S | 84.4 | Confident | 85.2 | Confident | 18 Ų | 18 | 46.4 Ų | 46.4 | 13% | 0.126 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -57.5 | -43.4 | 177.6 | -74 | 0 | 0 | 0 | 0 | 112.6 | N120 I341 Y342 S349 | N120-S345 PolarHBondContact ND2-O 2.81Å; I341-S345 WeakPolarHBondContact O-CB 3.22Å; I341-S345 PolarHBondContact O-N 3.02Å; I341-S345 PolarHBondContact O-OG 2.71Å; Y342-S345 PolarHBondContact O-N 2.66Å; S345-S349 VanDerWaalsContact O-CB 3.26Å; S345-S349 WeakPolarHBondContact O-CB 3.19Å; S345-S349 PolarHBondContact O-N 2.89Å; S345-S349 PolarHBondContact O-OG 3.15Å |
| 346 | F | 87.2 | Confident | 85.7 | Confident | 86 Ų | 86 | 41 Ų | 41 | 38% | 0.377 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -66.7 | -53.6 | 176.5 | 177.8 | -94.9 | 0 | 0 | 0 | 111.6 | Y342 F343 N344 Q348 S349 F350 F354 | Y342-F346 WeakPolarHBondContact O-CB 3.25Å; Y342-F346 PolarHBondContact O-N 3.08Å; F343-F346 PolarHBondContact O-N 2.51Å; N344-F346 VanDerWaalsContact C-N 3.33Å; N344-F346 PolarHBondContact O-N 2.82Å; F346-Q348 VanDerWaalsContact C-N 3.32Å; F346-Q348 PolarHBondContact O-N 2.86Å; F346-S349 PolarHBondContact O-N 3.07Å; F346-S349 PolarHBondContact O-OG 2.74Å; F346-S349 VanDerWaalsContact O-OG 3.1Å; F346-F350 AromaticContact CD2-CD2 3.53Å; F346-F350 HydrophobicContact CD2-CD2 3.53Å; F346-F350 AromaticContact CD2-CE2 3.61Å; F346-F350 HydrophobicContact CD2-CE2 3.61Å; F346-F350 HydrophobicContact CD2-CG 4.49Å; F346-F350 AromaticContact CE2-CD2 3.54Å; F346-F350 HydrophobicContact CE2-CD2 3.54Å; F346-F350 AromaticContact CE2-CE2 3.58Å; F346-F350 HydrophobicContact CE2-CE2 3.58Å; F346-F350 HydrophobicContact CE2-CG 4.16Å; F346-F350 HydrophobicContact CE2-CZ 4.23Å; F346-F350 HydrophobicContact CG-CD2 4.14Å; F346-F350 HydrophobicContact CZ-CD2 4.15Å; F346-F350 HydrophobicContact CZ-CG 4.38Å; F346-F350 WeakPolarHBondContact O-CB 3.45Å; F346-F350 WeakPolarHBondContact O-CD2 3.31Å; F346-F350 PolarHBondContact O-N 3.02Å; F346-F354 HydrophobicContact CE1-CE2 4.37Å; F346-F354 HydrophobicContact CE1-CZ 4.2Å; F346-F354 HydrophobicContact CZ-CZ 4.33Å |
| 347 | L | 85.4 | Confident | 86.1 | Confident | 38 Ų | 38 | 39.8 Ų | 39.8 | 20% | 0.199 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.7 | -40.4 | -175.2 | -73.1 | 173.1 | 0 | 0 | 0 | 112.1 | T322 L325 F343 N344 Q351 | T322-L347 HydrophobicContact CG2-CB 3.64Å; T322-L347 HydrophobicContact CG2-CD1 4.02Å; T322-L347 HydrophobicContact CG2-CD2 4.12Å; T322-L347 HydrophobicContact CG2-CG 4.14Å; L325-L347 HydrophobicContact CD1-CD1 3.85Å; F343-L347 VanDerWaalsContact O-CB 3.25Å; F343-L347 WeakPolarHBondContact O-CB 3.47Å; F343-L347 WeakPolarHBondContact O-CG 3.23Å; F343-L347 PolarHBondContact O-N 3.09Å; N344-L347 PolarHBondContact O-N 3.09Å; L347-Q351 WeakPolarHBondContact O-CB 3.4Å; L347-Q351 PolarHBondContact O-N 3.16Å; L347-Q351 VanDerWaalsContact O-N 3.09Å |
| 348 | Q | 85.2 | Confident | 86.5 | Confident | 50 Ų | 50 | 39 Ų | 39 | 23% | 0.234 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -70.1 | -42.5 | 179.8 | 179.7 | 166.3 | 3.8 | 0 | 0 | 112.8 | R162 Y323 N344 F346 | R162-Q348 PolarHBondContact NH2-O 3.16Å; R162-Q348 VanDerWaalsContact NH2-O 3.14Å; Y323-Q348 HydrophobicContact CE1-CG 4.25Å; Y323-Q348 WeakPolarHBondContact OH-CG 3.2Å; Y323-Q348 PolarHBondContact OH-NE2 3.41Å; N344-Q348 WeakPolarHBondContact O-CB 3.49Å; N344-Q348 PolarHBondContact O-N 3.35Å; F346-Q348 VanDerWaalsContact C-N 3.32Å; F346-Q348 PolarHBondContact O-N 2.86Å |
| 349 | S | 89.7 | Confident | 86.6 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -70.6 | -42.9 | -179.1 | 58.4 | 0 | 0 | 0 | 0 | 112 | N120 S127 S345 F346 Q351 | N120-S349 WeakPolarHBondContact O-CB 3.3Å; S127-S349 VanDerWaalsContact CB-O 3.31Å; S127-S349 WeakPolarHBondContact CB-O 3.02Å; S127-S349 PolarHBondContact OG-O 2.93Å; S345-S349 VanDerWaalsContact O-CB 3.26Å; S345-S349 WeakPolarHBondContact O-CB 3.19Å; S345-S349 PolarHBondContact O-N 2.89Å; S345-S349 PolarHBondContact O-OG 3.15Å; F346-S349 PolarHBondContact O-N 3.07Å; F346-S349 PolarHBondContact O-OG 2.74Å; F346-S349 VanDerWaalsContact O-OG 3.1Å; S349-Q351 PolarHBondContact O-N 3.15Å |
| 350 | F | 90.6 | Very high | 86.8 | Confident | 37 Ų | 37 | 35 Ų | 35 | 16% | 0.162 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -83.8 | -2.3 | 179.1 | -73.4 | -88.6 | 0 | 0 | 0 | 114.5 | V126 F346 G352 F353 F354 | V126-F350 HydrophobicContact CB-CE1 4.23Å; V126-F350 HydrophobicContact CG1-CE1 4.13Å; F346-F350 AromaticContact CD2-CD2 3.53Å; F346-F350 HydrophobicContact CD2-CD2 3.53Å; F346-F350 AromaticContact CD2-CE2 3.61Å; F346-F350 HydrophobicContact CD2-CE2 3.61Å; F346-F350 HydrophobicContact CD2-CG 4.49Å; F346-F350 AromaticContact CE2-CD2 3.54Å; F346-F350 HydrophobicContact CE2-CD2 3.54Å; F346-F350 AromaticContact CE2-CE2 3.58Å; F346-F350 HydrophobicContact CE2-CE2 3.58Å; F346-F350 HydrophobicContact CE2-CG 4.16Å; F346-F350 HydrophobicContact CE2-CZ 4.23Å; F346-F350 HydrophobicContact CG-CD2 4.14Å; F346-F350 HydrophobicContact CZ-CD2 4.15Å; F346-F350 HydrophobicContact CZ-CG 4.38Å; F346-F350 WeakPolarHBondContact O-CB 3.45Å; F346-F350 WeakPolarHBondContact O-CD2 3.31Å; F346-F350 PolarHBondContact O-N 3.02Å; F350-G352 VanDerWaalsContact C-N 3.34Å; F350-G352 PolarHBondContact O-N 2.86Å; F350-F353 HydrophobicContact CD1-CB 4.29Å; F350-F353 HydrophobicContact CD1-CD1 4.17Å; F350-F353 HydrophobicContact CD1-CG 4.36Å; F350-F353 WeakPolarHBondContact O-CA 3.01Å; F350-F353 VanDerWaalsContact O-CB 3.32Å; F350-F353 WeakPolarHBondContact O-CB 3.2Å; F350-F353 PolarHBondContact O-N 3.12Å; F350-F354 HydrophobicContact CB-CD2 4.14Å; F350-F354 HydrophobicContact CB-CE2 3.67Å; F350-F354 HydrophobicContact CB-CZ 4.2Å; F350-F354 WeakPolarHBondContact O-CD2 3.2Å; F350-F354 PolarHBondContact O-N 3.46Å |
| 351 | Q | 90.4 | Very high | 87.2 | Confident | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -53.8 | -49.1 | -178.8 | -164.2 | -175.2 | 8.6 | 0 | 0 | 112.4 | F159 R162 M202 P317 L347 S349 F353 F354 V355 | F159-Q351 HydrophobicContact CE1-CB 4.25Å; F159-Q351 HydrophobicContact CE1-CG 3.97Å; F159-Q351 HydrophobicContact CZ-CG 4.07Å; R162-Q351 VanDerWaalsContact NH1-OE1 3.11Å; M202-Q351 PolarHBondContact SD-NE2 3.43Å; P317-Q351 PolarHBondContact O-NE2 2.02Å; L347-Q351 WeakPolarHBondContact O-CB 3.4Å; L347-Q351 PolarHBondContact O-N 3.16Å; L347-Q351 VanDerWaalsContact O-N 3.09Å; S349-Q351 PolarHBondContact O-N 3.15Å; Q351-F353 VanDerWaalsContact C-N 3.33Å; Q351-F353 PolarHBondContact O-N 3Å; Q351-F354 PolarHBondContact O-N 3.04Å; Q351-V355 WeakPolarHBondContact O-CG2 3.42Å; Q351-V355 PolarHBondContact O-N 2.85Å |
| 352 | G | 91.5 | Very high | 87.5 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65 | -34.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | S127 L131 F350 V355 S356 | S127-G352 VanDerWaalsContact OG-CA 3.29Å; S127-G352 WeakPolarHBondContact OG-CA 2.92Å; L131-G352 WeakPolarHBondContact CD2-O 3.43Å; F350-G352 VanDerWaalsContact C-N 3.34Å; F350-G352 PolarHBondContact O-N 2.86Å; G352-V355 PolarHBondContact O-N 3.44Å; G352-S356 WeakPolarHBondContact O-CB 3.42Å; G352-S356 PolarHBondContact O-N 2.98Å |
| 353 | F | 92.5 | Very high | 87.5 | Confident | 65 Ų | 65 | 39.1 Ų | 39.1 | 29% | 0.285 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -59.9 | -52.6 | 171.7 | 169.8 | -100.2 | 0 | 0 | 0 | 110.7 | V126 S127 A130 F350 Q351 V355 S356 V357 | V126-F353 HydrophobicContact CG1-CD2 3.81Å; V126-F353 HydrophobicContact CG1-CE2 4.22Å; V126-F353 HydrophobicContact CG1-CG 4.31Å; S127-F353 PolarHBondContact OG-N 3.49Å; S127-F353 VanDerWaalsContact OG-N 3.16Å; A130-F353 HydrophobicContact CB-CD2 3.78Å; A130-F353 HydrophobicContact CB-CE2 4.44Å; F350-F353 HydrophobicContact CD1-CB 4.29Å; F350-F353 HydrophobicContact CD1-CD1 4.17Å; F350-F353 HydrophobicContact CD1-CG 4.36Å; F350-F353 WeakPolarHBondContact O-CA 3.01Å; F350-F353 VanDerWaalsContact O-CB 3.32Å; F350-F353 WeakPolarHBondContact O-CB 3.2Å; F350-F353 PolarHBondContact O-N 3.12Å; Q351-F353 VanDerWaalsContact C-N 3.33Å; Q351-F353 PolarHBondContact O-N 3Å; F353-V355 VanDerWaalsContact C-N 3.33Å; F353-V355 PolarHBondContact O-N 2.91Å; F353-S356 PolarHBondContact O-N 2.84Å; F353-S356 VanDerWaalsContact O-N 3.16Å; F353-S356 PolarHBondContact O-OG 3.07Å; F353-V357 HydrophobicContact CD1-CG2 4.49Å; F353-V357 HydrophobicContact CD2-CG2 4.26Å; F353-V357 HydrophobicContact CE1-CG2 4.09Å; F353-V357 HydrophobicContact CE2-CG2 3.84Å; F353-V357 HydrophobicContact CZ-CG2 3.75Å; F353-V357 WeakPolarHBondContact O-CG2 3.26Å; F353-V357 PolarHBondContact O-N 2.02Å |
| 354 | F | 90.2 | Very high | 87.6 | Confident | 53 Ų | 53 | 35.7 Ų | 35.7 | 23% | 0.232 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.1 | -43.6 | 178.6 | -65.8 | -53 | 0 | 0 | 0 | 112.2 | P317 F346 F350 Q351 S356 V357 F358 | P317-F354 HydrophobicContact CB-CB 3.95Å; P317-F354 HydrophobicContact CB-CD2 4.28Å; P317-F354 HydrophobicContact CB-CG 4.46Å; P317-F354 HydrophobicContact CG-CB 4.01Å; P317-F354 HydrophobicContact CG-CD2 4.16Å; P317-F354 HydrophobicContact CG-CG 4.2Å; F346-F354 HydrophobicContact CE1-CE2 4.37Å; F346-F354 HydrophobicContact CE1-CZ 4.2Å; F346-F354 HydrophobicContact CZ-CZ 4.33Å; F350-F354 HydrophobicContact CB-CD2 4.14Å; F350-F354 HydrophobicContact CB-CE2 3.67Å; F350-F354 HydrophobicContact CB-CZ 4.2Å; F350-F354 WeakPolarHBondContact O-CD2 3.2Å; F350-F354 PolarHBondContact O-N 3.46Å; Q351-F354 PolarHBondContact O-N 3.04Å; F354-S356 PolarHBondContact O-N 2.81Å; F354-V357 PolarHBondContact O-N 3.37Å; F354-F358 HydrophobicContact CB-CD2 4.35Å; F354-F358 HydrophobicContact CB-CE2 4.18Å; F354-F358 WeakPolarHBondContact O-CD2 2.99Å; F354-F358 PolarHBondContact O-N 3.38Å |
| 355 | V | 89.6 | Confident | 87.9 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57.1 | -48.1 | 175.6 | 175.6 | 0 | 0 | 0 | 0 | 110.7 | L155 F159 L318 Q351 G352 F353 V357 F358 Y359 | L155-V355 HydrophobicContact CD2-CG1 4.29Å; F159-V355 HydrophobicContact CD2-CG1 4.39Å; F159-V355 HydrophobicContact CD2-CG2 4.45Å; F159-V355 HydrophobicContact CE2-CB 4.29Å; F159-V355 HydrophobicContact CE2-CG1 4.13Å; F159-V355 HydrophobicContact CE2-CG2 3.67Å; F159-V355 HydrophobicContact CZ-CG2 3.87Å; L318-V355 HydrophobicContact CD2-CB 4.28Å; L318-V355 HydrophobicContact CD2-CG1 4.22Å; L318-V355 HydrophobicContact CD2-CG2 3.77Å; Q351-V355 WeakPolarHBondContact O-CG2 3.42Å; Q351-V355 PolarHBondContact O-N 2.85Å; G352-V355 PolarHBondContact O-N 3.44Å; F353-V355 VanDerWaalsContact C-N 3.33Å; F353-V355 PolarHBondContact O-N 2.91Å; V355-V357 PolarHBondContact O-N 3.39Å; V355-F358 PolarHBondContact O-N 2.61Å; V355-Y359 HydrophobicContact CG1-CD2 3.61Å; V355-Y359 HydrophobicContact CG1-CE2 3.97Å; V355-Y359 WeakPolarHBondContact O-CB 3.47Å; V355-Y359 PolarHBondContact O-N 2.98Å |
| 356 | S | 90.7 | Very high | 88 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63 | -40.5 | 179.8 | 76.9 | 0 | 0 | 0 | 0 | 112.5 | A130 G352 F353 F354 C360 F361 | A130-S356 WeakPolarHBondContact CB-OG 3.12Å; G352-S356 WeakPolarHBondContact O-CB 3.42Å; G352-S356 PolarHBondContact O-N 2.98Å; F353-S356 PolarHBondContact O-N 2.84Å; F353-S356 VanDerWaalsContact O-N 3.16Å; F353-S356 PolarHBondContact O-OG 3.07Å; F354-S356 PolarHBondContact O-N 2.81Å; S356-C360 WeakPolarHBondContact O-CA 3.38Å; S356-C360 WeakPolarHBondContact O-CB 3.43Å; S356-C360 PolarHBondContact O-N 2.97Å; S356-F361 WeakPolarHBondContact O-CD2 3.43Å; S356-F361 PolarHBondContact O-N 3.14Å |
| 357 | V | 88.8 | Confident | 88.1 | Confident | 23 Ų | 23 | 41.6 Ų | 41.6 | 14% | 0.139 | 20% | 0.199 | C | C | . | . | I | π-helix | trans | -63.6 | -48.6 | 178 | 171.8 | 0 | 0 | 0 | 0 | 110.6 | F353 F354 V355 F361 F362 | F353-V357 HydrophobicContact CD1-CG2 4.49Å; F353-V357 HydrophobicContact CD2-CG2 4.26Å; F353-V357 HydrophobicContact CE1-CG2 4.09Å; F353-V357 HydrophobicContact CE2-CG2 3.84Å; F353-V357 HydrophobicContact CZ-CG2 3.75Å; F353-V357 WeakPolarHBondContact O-CG2 3.26Å; F353-V357 PolarHBondContact O-N 2.02Å; F354-V357 PolarHBondContact O-N 3.37Å; V355-V357 PolarHBondContact O-N 3.39Å; V357-F361 HydrophobicContact CG2-CD2 4.33Å; V357-F361 PolarHBondContact O-N 3.03Å; V357-F362 HydrophobicContact CG1-CD1 4.08Å; V357-F362 HydrophobicContact CG1-CD2 3.81Å; V357-F362 HydrophobicContact CG1-CE1 4.02Å; V357-F362 HydrophobicContact CG1-CE2 3.75Å; V357-F362 HydrophobicContact CG1-CG 3.98Å; V357-F362 HydrophobicContact CG1-CZ 3.86Å; V357-F362 VanDerWaalsContact O-CB 3.31Å; V357-F362 WeakPolarHBondContact O-CB 3.35Å; V357-F362 PolarHBondContact O-N 3.36Å |
| 358 | F | 85.7 | Confident | 88.3 | Confident | 48 Ų | 48 | 43.4 Ų | 43.4 | 21% | 0.211 | 21% | 0.214 | C | C | . | . | I | π-helix | trans | -76.1 | -41.7 | -174.9 | -66.2 | -52.3 | 0 | 0 | 0 | 113.8 | V314 F354 V355 F362 | V314-F358 HydrophobicContact CB-CD1 4.16Å; V314-F358 HydrophobicContact CB-CD2 4.27Å; V314-F358 HydrophobicContact CB-CE1 4.22Å; V314-F358 HydrophobicContact CB-CE2 4.33Å; V314-F358 HydrophobicContact CB-CG 4.19Å; V314-F358 HydrophobicContact CB-CZ 4.3Å; V314-F358 HydrophobicContact CG1-CB 3.75Å; V314-F358 HydrophobicContact CG1-CD1 3.87Å; V314-F358 HydrophobicContact CG1-CD2 3.87Å; V314-F358 HydrophobicContact CG1-CE1 4.42Å; V314-F358 HydrophobicContact CG1-CE2 4.43Å; V314-F358 HydrophobicContact CG1-CG 3.56Å; V314-F358 HydrophobicContact CG2-CD1 3.49Å; V314-F358 VanDerWaalsContact CG2-CD1 3.49Å; V314-F358 HydrophobicContact CG2-CD2 4.38Å; V314-F358 HydrophobicContact CG2-CE1 3.33Å; V314-F358 HydrophobicContact CG2-CE2 4.25Å; V314-F358 HydrophobicContact CG2-CG 4.03Å; V314-F358 HydrophobicContact CG2-CZ 3.74Å; F354-F358 HydrophobicContact CB-CD2 4.35Å; F354-F358 HydrophobicContact CB-CE2 4.18Å; F354-F358 WeakPolarHBondContact O-CD2 2.99Å; F354-F358 PolarHBondContact O-N 3.38Å; V355-F358 PolarHBondContact O-N 2.61Å; F358-F362 HydrophobicContact CD1-CD2 4.14Å; F358-F362 HydrophobicContact CE1-CD2 4.26Å |
| 359 | Y | 83.2 | Confident | 88.5 | Confident | 29 Ų | 29 | 41.6 Ų | 41.6 | 11% | 0.114 | 21% | 0.208 | C | C | . | . | I | π-helix | trans | -85.3 | -26.1 | -176.4 | -67.7 | -22.7 | 0 | 0 | 0 | 114.6 | H152 L155 E205 L318 V355 N363 | H152-Y359 AromaticContact CE1-CD1 3.92Å; H152-Y359 AromaticContact CE1-CD2 3.95Å; H152-Y359 AromaticContact CE1-CE1 3.77Å; H152-Y359 AromaticContact CE1-CE2 3.81Å; H152-Y359 AromaticContact CE1-CG 3.99Å; H152-Y359 AromaticContact CE1-CZ 3.68Å; H152-Y359 AromaticContact ND1-CD2 3.58Å; H152-Y359 AromaticContact ND1-CE2 3.57Å; H152-Y359 AromaticContact ND1-CG 3.96Å; H152-Y359 AromaticContact ND1-CZ 3.93Å; L155-Y359 HydrophobicContact CD2-CE2 4.02Å; E205-Y359 VanDerWaalsContact CD-CE2 3.4Å; E205-Y359 VanDerWaalsContact CD-CZ 3.46Å; E205-Y359 WeakPolarHBondContact OE1-CE2 3.23Å; E205-Y359 PolarHBondContact OE1-OH 2.94Å; E205-Y359 VanDerWaalsContact OE1-OH 3.09Å; E205-Y359 WeakPolarHBondContact OE2-CE2 2.99Å; E205-Y359 PolarHBondContact OE2-OH 3.31Å; L318-Y359 HydrophobicContact CD1-CE1 3.52Å; L318-Y359 HydrophobicContact CD1-CE2 4.36Å; L318-Y359 VanDerWaalsContact CD1-CZ 3.44Å; L318-Y359 WeakPolarHBondContact CD1-OH 3.06Å; L318-Y359 HydrophobicContact CD2-CD2 4.05Å; L318-Y359 HydrophobicContact CD2-CE1 3.92Å; L318-Y359 HydrophobicContact CD2-CE2 3.22Å; L318-Y359 VanDerWaalsContact CD2-OH 3.23Å; L318-Y359 WeakPolarHBondContact CD2-OH 3.43Å; L318-Y359 HydrophobicContact CG-CE1 4.36Å; L318-Y359 HydrophobicContact CG-CE2 4.37Å; V355-Y359 HydrophobicContact CG1-CD2 3.61Å; V355-Y359 HydrophobicContact CG1-CE2 3.97Å; V355-Y359 WeakPolarHBondContact O-CB 3.47Å; V355-Y359 PolarHBondContact O-N 2.98Å; Y359-N363 WeakPolarHBondContact O-CB 3.28Å; Y359-N363 PolarHBondContact O-ND2 3.31Å; Y359-N363 VanDerWaalsContact O-ND2 3.14Å |
| 360 | C | 87.5 | Confident | 88.5 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | I | π-helix | trans | -110.4 | -68.7 | -178.2 | -164 | 0 | 0 | 0 | 0 | 111.3 | A134 L137 F138 S356 F362 N363 V366 | A134-C360 HydrophobicContact CB-CB 3.72Å; L137-C360 WeakPolarHBondContact CD2-SG 3.29Å; F138-C360 HydrophobicContact CE2-CB 3.84Å; F138-C360 HydrophobicContact CZ-CB 4.21Å; S356-C360 WeakPolarHBondContact O-CA 3.38Å; S356-C360 WeakPolarHBondContact O-CB 3.43Å; S356-C360 PolarHBondContact O-N 2.97Å; C360-F362 PolarHBondContact O-N 3.39Å; C360-N363 PolarHBondContact O-N 3.39Å; C360-V366 WeakPolarHBondContact O-CB 3.31Å; C360-V366 WeakPolarHBondContact O-CG1 3.34Å |
| 361 | F | 88.8 | Confident | 88.5 | Confident | 80 Ų | 80 | 49.9 Ų | 49.9 | 35% | 0.351 | 24% | 0.244 | S | C | . | . | I | π-helix | trans | -68.6 | -37.8 | -167.7 | -63.3 | -63.5 | 0 | 0 | 0 | 113.9 | A130 A133 A134 S356 V357 R367 | A130-F361 HydrophobicContact CB-CE2 4.44Å; A133-F361 HydrophobicContact CB-CZ 3.94Å; A134-F361 HydrophobicContact CB-CE2 4.5Å; S356-F361 WeakPolarHBondContact O-CD2 3.43Å; S356-F361 PolarHBondContact O-N 3.14Å; V357-F361 HydrophobicContact CG2-CD2 4.33Å; V357-F361 PolarHBondContact O-N 3.03Å; F361-R367 WeakPolarHBondContact O-CD 3.46Å; F361-R367 WeakPolarHBondContact O-CG 3.06Å |
| 362 | F | 87.6 | Confident | 88.5 | Confident | 125 Ų | 125 | 56 Ų | 56 | 55% | 0.548 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -5 | 179.5 | -74.2 | 5.1 | 0 | 0 | 0 | 113.5 | V357 F358 C360 G364 | V357-F362 HydrophobicContact CG1-CD1 4.08Å; V357-F362 HydrophobicContact CG1-CD2 3.81Å; V357-F362 HydrophobicContact CG1-CE1 4.02Å; V357-F362 HydrophobicContact CG1-CE2 3.75Å; V357-F362 HydrophobicContact CG1-CG 3.98Å; V357-F362 HydrophobicContact CG1-CZ 3.86Å; V357-F362 VanDerWaalsContact O-CB 3.31Å; V357-F362 WeakPolarHBondContact O-CB 3.35Å; V357-F362 PolarHBondContact O-N 3.36Å; F358-F362 HydrophobicContact CD1-CD2 4.14Å; F358-F362 HydrophobicContact CE1-CD2 4.26Å; C360-F362 PolarHBondContact O-N 3.39Å; F362-G364 PolarHBondContact O-N 3Å |
| 363 | N | 85.5 | Confident | 88.3 | Confident | 29 Ų | 29 | 63 Ų | 63 | 16% | 0.155 | 30% | 0.297 | C | S | . | . | trans | -70.3 | 119.6 | 179.8 | -173.2 | -24.1 | 0 | 0 | 0 | 110.5 | Y359 C360 E365 V366 R367 | Y359-N363 WeakPolarHBondContact O-CB 3.28Å; Y359-N363 PolarHBondContact O-ND2 3.31Å; Y359-N363 VanDerWaalsContact O-ND2 3.14Å; C360-N363 PolarHBondContact O-N 3.39Å; N363-E365 VanDerWaalsContact C-N 3.28Å; N363-E365 PolarHBondContact O-N 2.84Å; N363-E365 WeakPolarHBondContact OD1-CB 3.28Å; N363-E365 PolarHBondContact OD1-N 3.35Å; N363-V366 HydrophobicContact CB-CB 4.06Å; N363-V366 HydrophobicContact CB-CG2 3.84Å; N363-V366 PolarHBondContact O-N 3.08Å; N363-R367 WeakPolarHBondContact O-CG 3.45Å; N363-R367 PolarHBondContact O-N 3.35Å | ||
| 364 | G | 85.1 | Confident | 88.2 | Confident | 50 Ų | 50 | 67 Ų | 67 | 52% | 0.515 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.8 | -35 | -178 | 0 | 0 | 0 | 0 | 0 | 113.3 | F362 S368 | F362-G364 PolarHBondContact O-N 3Å; G364-S368 VanDerWaalsContact O-CB 3.24Å; G364-S368 WeakPolarHBondContact O-CB 3.44Å; G364-S368 PolarHBondContact O-N 2.01Å |
| 365 | E | 86.2 | Confident | 88.3 | Confident | 98 Ų | 98 | 69 Ų | 69 | 46% | 0.458 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65.2 | -45.3 | 177 | -64.2 | 177.6 | -171.9 | 0 | 0 | 110.7 | R148 N363 S368 A369 | R148-E365 IonicContact NH1-OE1 3.92Å; N363-E365 VanDerWaalsContact C-N 3.28Å; N363-E365 PolarHBondContact O-N 2.84Å; N363-E365 WeakPolarHBondContact OD1-CB 3.28Å; N363-E365 PolarHBondContact OD1-N 3.35Å; E365-S368 PolarHBondContact O-N 3.22Å; E365-A369 WeakPolarHBondContact O-CB 3.25Å; E365-A369 PolarHBondContact O-N 3.36Å |
| 366 | V | 87.4 | Confident | 88.2 | Confident | 2 Ų | 2 | 74.5 Ų | 74.5 | 1% | 0.012 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64.3 | -49.7 | 178.1 | 176.4 | 0 | 0 | 0 | 0 | 110.2 | L137 F138 L141 I144 C360 N363 S368 A369 V370 | L137-V366 HydrophobicContact CD2-CG1 3.16Å; L137-V366 HydrophobicContact CG-CG1 4.49Å; F138-V366 HydrophobicContact CE1-CG2 4.39Å; L141-V366 HydrophobicContact CD1-CG1 4.04Å; I144-V366 HydrophobicContact CD1-CG2 4.13Å; C360-V366 WeakPolarHBondContact O-CB 3.31Å; C360-V366 WeakPolarHBondContact O-CG1 3.34Å; N363-V366 HydrophobicContact CB-CB 4.06Å; N363-V366 HydrophobicContact CB-CG2 3.84Å; N363-V366 PolarHBondContact O-N 3.08Å; V366-S368 VanDerWaalsContact C-N 3.29Å; V366-S368 PolarHBondContact O-N 3.16Å; V366-A369 PolarHBondContact O-N 3.06Å; V366-A369 VanDerWaalsContact O-N 3.13Å; V366-V370 HydrophobicContact CG1-CG2 4.34Å; V366-V370 VanDerWaalsContact O-CG2 3.32Å; V366-V370 WeakPolarHBondContact O-CG2 3.3Å; V366-V370 PolarHBondContact O-N 3.3Å |
| 367 | R | 89 | Confident | 88.2 | Confident | 146 Ų | 146 | 80.1 Ų | 80.1 | 55% | 0.551 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -58.7 | -40.1 | 177.3 | -69.8 | 178.1 | 71.5 | -176.4 | 3.7 | 112.2 | F361 N363 R371 | F361-R367 WeakPolarHBondContact O-CD 3.46Å; F361-R367 WeakPolarHBondContact O-CG 3.06Å; N363-R367 WeakPolarHBondContact O-CG 3.45Å; N363-R367 PolarHBondContact O-N 3.35Å; R367-R371 VanDerWaalsContact O-CB 3.25Å; R367-R371 WeakPolarHBondContact O-CB 3.33Å; R367-R371 PolarHBondContact O-N 2.88Å |
| 368 | S | 89.6 | Confident | 88.2 | Confident | 75 Ų | 75 | 84.1 Ų | 84.1 | 52% | 0.524 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -65.7 | -43.6 | 175.4 | -174.4 | 0 | 0 | 0 | 0 | 111.7 | G364 E365 V366 R371 K372 | G364-S368 VanDerWaalsContact O-CB 3.24Å; G364-S368 WeakPolarHBondContact O-CB 3.44Å; G364-S368 PolarHBondContact O-N 2.01Å; E365-S368 PolarHBondContact O-N 3.22Å; V366-S368 VanDerWaalsContact C-N 3.29Å; V366-S368 PolarHBondContact O-N 3.16Å; S368-R371 PolarHBondContact O-N 3.34Å; S368-K372 WeakPolarHBondContact O-CB 3.44Å; S368-K372 PolarHBondContact O-N 2.74Å |
| 369 | A | 89.5 | Confident | 88.4 | Confident | 13 Ų | 13 | 86.2 Ų | 86.2 | 11% | 0.107 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -64.4 | -43.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L141 I144 E365 V366 K372 R373 | L141-A369 HydrophobicContact CD1-CB 4.3Å; L141-A369 HydrophobicContact CD2-CB 4.17Å; I144-A369 HydrophobicContact CG2-CB 4.21Å; E365-A369 WeakPolarHBondContact O-CB 3.25Å; E365-A369 PolarHBondContact O-N 3.36Å; V366-A369 PolarHBondContact O-N 3.06Å; V366-A369 VanDerWaalsContact O-N 3.13Å; A369-K372 PolarHBondContact O-N 2.92Å; A369-R373 WeakPolarHBondContact O-CB 3.48Å; A369-R373 PolarHBondContact O-N 3.39Å |
| 370 | V | 89.6 | Confident | 88.4 | Confident | 55 Ų | 55 | 89.3 Ų | 89.3 | 33% | 0.333 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -60.5 | -48.9 | 173.2 | 173.3 | 0 | 0 | 0 | 0 | 110.1 | L137 L141 V366 K372 R373 W374 | L137-V370 HydrophobicContact CD1-CG2 3.88Å; L137-V370 HydrophobicContact CD2-CG2 4.1Å; L137-V370 HydrophobicContact CG-CG2 4.29Å; L141-V370 HydrophobicContact CD1-CG2 3.81Å; L141-V370 HydrophobicContact CD2-CG2 4.48Å; V366-V370 HydrophobicContact CG1-CG2 4.34Å; V366-V370 VanDerWaalsContact O-CG2 3.32Å; V366-V370 WeakPolarHBondContact O-CG2 3.3Å; V366-V370 PolarHBondContact O-N 3.3Å; V370-K372 VanDerWaalsContact C-N 3.33Å; V370-K372 PolarHBondContact O-N 3.25Å; V370-R373 PolarHBondContact O-N 3.39Å; V370-R373 VanDerWaalsContact O-N 3.1Å; V370-W374 WeakPolarHBondContact O-CB 3.43Å; V370-W374 PolarHBondContact O-N 3.18Å |
| 371 | R | 90.6 | Very high | 88.3 | Confident | 155 Ų | 155 | 93.1 Ų | 93.1 | 59% | 0.585 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -56 | -47.8 | 176.6 | -174.3 | -177.8 | -60.6 | -160.9 | 0.5 | 111.1 | R367 S368 R373 W374 H375 | R367-R371 VanDerWaalsContact O-CB 3.25Å; R367-R371 WeakPolarHBondContact O-CB 3.33Å; R367-R371 PolarHBondContact O-N 2.88Å; S368-R371 PolarHBondContact O-N 3.34Å; R371-R373 VanDerWaalsContact C-N 3.32Å; R371-R373 PolarHBondContact O-N 2.65Å; R371-W374 WeakPolarHBondContact O-CB 3.48Å; R371-W374 PolarHBondContact O-N 2.96Å; R371-H375 WeakPolarHBondContact CG-CE1 3.44Å; R371-H375 PolarHBondContact O-N 3.07Å; R371-H375 PolarHBondContact O-ND1 3.38Å |
| 372 | K | 90 | Very high | 87.9 | Confident | 131 Ų | 131 | 92.8 Ų | 92.8 | 57% | 0.57 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -63.6 | -35.2 | 177.8 | -170.2 | 176.6 | -176.9 | 172.3 | 0 | 112.6 | S368 A369 V370 R376 | S368-K372 WeakPolarHBondContact O-CB 3.44Å; S368-K372 PolarHBondContact O-N 2.74Å; A369-K372 PolarHBondContact O-N 2.92Å; V370-K372 VanDerWaalsContact C-N 3.33Å; V370-K372 PolarHBondContact O-N 3.25Å; K372-R376 WeakPolarHBondContact O-CG 3.4Å; K372-R376 PolarHBondContact O-N 3.49Å; K372-R376 PolarHBondContact O-NE 2.96Å; K372-R376 VanDerWaalsContact O-NE 3.08Å |
| 373 | R | 88.2 | Confident | 87 | Confident | 147 Ų | 147 | 93.8 Ų | 93.8 | 56% | 0.555 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -69.4 | -41.6 | 174.4 | -173.8 | 60.6 | 168 | 139.5 | -3.6 | 111.5 | A369 V370 R371 R376 W377 | A369-R373 WeakPolarHBondContact O-CB 3.48Å; A369-R373 PolarHBondContact O-N 3.39Å; V370-R373 PolarHBondContact O-N 3.39Å; V370-R373 VanDerWaalsContact O-N 3.1Å; R371-R373 VanDerWaalsContact C-N 3.32Å; R371-R373 PolarHBondContact O-N 2.65Å; R373-R376 PolarHBondContact O-N 3.41Å; R373-W377 WeakPolarHBondContact O-CB 3.4Å; R373-W377 PolarHBondContact O-N 3.21Å |
| 374 | W | 90.5 | Very high | 86 | Confident | 148 Ų | 148 | 100.4 Ų | 100.4 | 56% | 0.561 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -61.7 | -48.3 | 176.7 | -175.1 | -90.9 | 0 | 0 | 0 | 112 | V370 R371 R376 W377 Q378 | V370-W374 WeakPolarHBondContact O-CB 3.43Å; V370-W374 PolarHBondContact O-N 3.18Å; R371-W374 WeakPolarHBondContact O-CB 3.48Å; R371-W374 PolarHBondContact O-N 2.96Å; W374-R376 PolarHBondContact O-N 3.04Å; W374-W377 HydrophobicContact CH2-CE3 4.46Å; W374-W377 HydrophobicContact CH2-CZ3 4.05Å; W374-W377 HydrophobicContact CZ2-CZ3 4.18Å; W374-W377 HydrophobicContact CZ3-CE3 4.45Å; W374-W377 HydrophobicContact CZ3-CZ3 4.41Å; W374-W377 WeakPolarHBondContact O-CB 3.43Å; W374-W377 PolarHBondContact O-N 3.47Å; W374-W377 VanDerWaalsContact O-N 3.12Å; W374-Q378 WeakPolarHBondContact O-CB 3.48Å; W374-Q378 PolarHBondContact O-N 2.92Å |
| 375 | H | 90.6 | Very high | 84.6 | Confident | 96 Ų | 96 | 102.9 Ų | 102.9 | 44% | 0.444 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -59.1 | -47.4 | 177.2 | -73 | 72.4 | 0 | 0 | 0 | 111.3 | R371 W377 Q378 D379 | R371-H375 WeakPolarHBondContact CG-CE1 3.44Å; R371-H375 PolarHBondContact O-N 3.07Å; R371-H375 PolarHBondContact O-ND1 3.38Å; H375-W377 VanDerWaalsContact C-N 3.28Å; H375-W377 PolarHBondContact O-N 3.38Å; H375-Q378 WeakPolarHBondContact O-CB 3.18Å; H375-Q378 PolarHBondContact O-N 3.01Å; H375-Q378 VanDerWaalsContact O-N 3.13Å; H375-D379 PolarHBondContact O-N 3.45Å |
| 376 | R | 88.9 | Confident | 83 | Confident | 114 Ų | 114 | 103.6 Ų | 103.6 | 43% | 0.43 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.5 | -33.9 | 175.7 | -73.7 | 179.8 | -66.9 | -155.2 | 3.2 | 113.7 | K372 R373 W374 H380 | K372-R376 WeakPolarHBondContact O-CG 3.4Å; K372-R376 PolarHBondContact O-N 3.49Å; K372-R376 PolarHBondContact O-NE 2.96Å; K372-R376 VanDerWaalsContact O-NE 3.08Å; R373-R376 PolarHBondContact O-N 3.41Å; W374-R376 PolarHBondContact O-N 3.04Å; R376-H380 WeakPolarHBondContact O-CB 3.42Å; R376-H380 PolarHBondContact O-N 3.07Å; R376-H380 VanDerWaalsContact O-N 3.14Å |
| 377 | W | 89.4 | Confident | 81.4 | Confident | 119 Ų | 119 | 112 Ų | 112 | 45% | 0.451 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -69.6 | -42.6 | 175.7 | 177.8 | 81.7 | 0 | 0 | 0 | 110.8 | R373 W374 H375 H380 H381 | R373-W377 WeakPolarHBondContact O-CB 3.4Å; R373-W377 PolarHBondContact O-N 3.21Å; W374-W377 HydrophobicContact CH2-CE3 4.46Å; W374-W377 HydrophobicContact CH2-CZ3 4.05Å; W374-W377 HydrophobicContact CZ2-CZ3 4.18Å; W374-W377 HydrophobicContact CZ3-CE3 4.45Å; W374-W377 HydrophobicContact CZ3-CZ3 4.41Å; W374-W377 WeakPolarHBondContact O-CB 3.43Å; W374-W377 PolarHBondContact O-N 3.47Å; W374-W377 VanDerWaalsContact O-N 3.12Å; H375-W377 VanDerWaalsContact C-N 3.28Å; H375-W377 PolarHBondContact O-N 3.38Å; W377-H380 PolarHBondContact O-N 2.87Å; W377-H381 AromaticContact CD1-CD2 3.76Å; W377-H381 AromaticContact CD1-NE2 3.96Å; W377-H381 AromaticContact CD2-CD2 3.66Å; W377-H381 AromaticContact CE2-CD2 3.13Å; W377-H381 AromaticContact CE2-NE2 3.26Å; W377-H381 VanDerWaalsContact CE2-NE2 3.26Å; W377-H381 AromaticContact CZ2-CD2 3.4Å; W377-H381 WeakPolarHBondContact CZ2-CD2 3.49Å; W377-H381 AromaticContact CZ2-NE2 3.33Å; W377-H381 VanDerWaalsContact CZ2-NE2 3.33Å; W377-H381 WeakPolarHBondContact CZ2-NE2 3.39Å; W377-H381 AromaticContact NE1-CD2 3.21Å; W377-H381 PolarHBondContact NE1-CD2 3.49Å; W377-H381 AromaticContact NE1-NE2 3.07Å; W377-H381 PolarHBondContact NE1-NE2 2.97Å; W377-H381 PolarHBondContact O-CD2 3.03Å; W377-H381 PolarHBondContact O-N 3.15Å |
| 378 | Q | 90.2 | Very high | 79.6 | Confident | 106 Ų | 106 | 109.5 Ų | 109.5 | 50% | 0.495 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62 | -44.9 | 174.7 | -171.6 | 171.7 | 2.6 | 0 | 0 | 111.8 | W374 H375 H380 H381 S382 | W374-Q378 WeakPolarHBondContact O-CB 3.48Å; W374-Q378 PolarHBondContact O-N 2.92Å; H375-Q378 WeakPolarHBondContact O-CB 3.18Å; H375-Q378 PolarHBondContact O-N 3.01Å; H375-Q378 VanDerWaalsContact O-N 3.13Å; Q378-H380 VanDerWaalsContact C-N 3.34Å; Q378-H380 PolarHBondContact O-N 3.08Å; Q378-H381 PolarHBondContact O-N 3.05Å; Q378-S382 WeakPolarHBondContact O-CB 3.29Å; Q378-S382 PolarHBondContact O-N 2.89Å |
| 379 | D | 88.3 | Confident | 77.7 | Confident | 92 Ų | 92 | 116.8 Ų | 116.8 | 49% | 0.492 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -58.8 | -46.8 | 176.4 | -62.5 | -25 | 0 | 0 | 0 | 110.8 | H375 H381 S382 L383 | H375-D379 PolarHBondContact O-N 3.45Å; D379-H381 VanDerWaalsContact C-N 3.34Å; D379-H381 PolarHBondContact O-N 3.42Å; D379-S382 PolarHBondContact O-N 3.48Å; D379-S382 PolarHBondContact O-OG 3.39Å; D379-L383 WeakPolarHBondContact O-CG 3.48Å; D379-L383 PolarHBondContact O-N 3.02Å |
| 380 | H | 85 | Confident | 75.7 | Confident | 94 Ų | 94 | 120.8 Ų | 120.8 | 44% | 0.435 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -67.4 | -31.5 | 178.8 | -176.9 | -102.3 | 0 | 0 | 0 | 113.4 | R376 W377 Q378 R384 | R376-H380 WeakPolarHBondContact O-CB 3.42Å; R376-H380 PolarHBondContact O-N 3.07Å; R376-H380 VanDerWaalsContact O-N 3.14Å; W377-H380 PolarHBondContact O-N 2.87Å; Q378-H380 VanDerWaalsContact C-N 3.34Å; Q378-H380 PolarHBondContact O-N 3.08Å; H380-R384 PolarHBondContact CE1-NE 3.22Å; H380-R384 VanDerWaalsContact CE1-NE 3.26Å; H380-R384 PolarHBondContact CE1-NH2 2.99Å |
| 381 | H | 83.6 | Confident | 73.5 | Confident | 80 Ų | 80 | 127 Ų | 127 | 37% | 0.37 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -74.5 | -35.1 | 172.7 | -92.2 | -80.6 | 0 | 0 | 0 | 112.7 | W377 Q378 D379 L383 R384 | W377-H381 AromaticContact CD1-CD2 3.76Å; W377-H381 AromaticContact CD1-NE2 3.96Å; W377-H381 AromaticContact CD2-CD2 3.66Å; W377-H381 AromaticContact CE2-CD2 3.13Å; W377-H381 AromaticContact CE2-NE2 3.26Å; W377-H381 VanDerWaalsContact CE2-NE2 3.26Å; W377-H381 AromaticContact CZ2-CD2 3.4Å; W377-H381 WeakPolarHBondContact CZ2-CD2 3.49Å; W377-H381 AromaticContact CZ2-NE2 3.33Å; W377-H381 VanDerWaalsContact CZ2-NE2 3.33Å; W377-H381 WeakPolarHBondContact CZ2-NE2 3.39Å; W377-H381 AromaticContact NE1-CD2 3.21Å; W377-H381 PolarHBondContact NE1-CD2 3.49Å; W377-H381 AromaticContact NE1-NE2 3.07Å; W377-H381 PolarHBondContact NE1-NE2 2.97Å; W377-H381 PolarHBondContact O-CD2 3.03Å; W377-H381 PolarHBondContact O-N 3.15Å; Q378-H381 PolarHBondContact O-N 3.05Å; D379-H381 VanDerWaalsContact C-N 3.34Å; D379-H381 PolarHBondContact O-N 3.42Å; H381-L383 VanDerWaalsContact C-N 3.28Å; H381-L383 PolarHBondContact O-N 3.06Å; H381-R384 PolarHBondContact O-N 2.9Å; H381-R384 VanDerWaalsContact O-N 3.14Å |
| 382 | S | 80.9 | Confident | 71.7 | Confident | 73 Ų | 73 | 124.4 Ų | 124.4 | 51% | 0.51 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -64.2 | -34.2 | 176.7 | 73 | 0 | 0 | 0 | 0 | 112.3 | Q378 D379 R384 | Q378-S382 WeakPolarHBondContact O-CB 3.29Å; Q378-S382 PolarHBondContact O-N 2.89Å; D379-S382 PolarHBondContact O-N 3.48Å; D379-S382 PolarHBondContact O-OG 3.39Å; S382-R384 VanDerWaalsContact C-N 3.31Å; S382-R384 PolarHBondContact O-N 2.92Å |
| 383 | L | 69.7 | Low | 69.9 | Low | 146 Ų | 146 | 124.7 Ų | 124.7 | 76% | 0.764 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | -16.2 | 175.1 | -67.8 | 170.8 | 0 | 0 | 0 | 114.1 | D379 H381 | D379-L383 WeakPolarHBondContact O-CG 3.48Å; D379-L383 PolarHBondContact O-N 3.02Å; H381-L383 VanDerWaalsContact C-N 3.28Å; H381-L383 PolarHBondContact O-N 3.06Å |
| 384 | R | 63.1 | Low | 67.9 | Low | 168 Ų | 168 | 124 Ų | 124 | 63% | 0.634 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.7 | -7.7 | 178.7 | -76.2 | -179 | 178.8 | -162.6 | -7.1 | 113.9 | H380 H381 S382 P386 | H380-R384 PolarHBondContact CE1-NE 3.22Å; H380-R384 VanDerWaalsContact CE1-NE 3.26Å; H380-R384 PolarHBondContact CE1-NH2 2.99Å; H381-R384 PolarHBondContact O-N 2.9Å; H381-R384 VanDerWaalsContact O-N 3.14Å; S382-R384 VanDerWaalsContact C-N 3.31Å; S382-R384 PolarHBondContact O-N 2.92Å; R384-P386 WeakPolarHBondContact O-CD 3.25Å |
| 385 | V | 57.2 | Low | 66.3 | Low | 102 Ų | 102 | 123 Ų | 123 | 62% | 0.618 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -79.1 | 118 | 163.5 | -176.8 | 0 | 0 | 0 | 0 | 106 | M387 | V385-M387 PolarHBondContact O-N 3.13Š|
| 386 | P | 52 | Low | 64.3 | Low | 114 Ų | 114 | 123.6 Ų | 123.6 | 74% | 0.74 | 67% | 0.665 | S | S | * | * | trans | -57.9 | 110.5 | 173.5 | -16.4 | 28.5 | 0 | 0 | 0 | 107.5 | R384 A388 | R384-P386 WeakPolarHBondContact O-CD 3.25Å; P386-A388 PolarHBondContact O-N 3.04Å | ||
| 387 | M | 54.5 | Low | 62.4 | Low | 179 Ų | 179 | 124 Ų | 124 | 88% | 0.882 | 68% | 0.683 | S | S | * | * | trans | -65.6 | 82.2 | 160.4 | -93.5 | -155.7 | -176.2 | 0 | 0 | 106.9 | V385 R389 | V385-M387 PolarHBondContact O-N 3.13Å; M387-R389 PolarHBondContact O-N 2.81Å | ||
| 388 | A | 49.9 | Very low | 60.6 | Low | 93 Ų | 93 | 124.7 Ų | 124.7 | 77% | 0.769 | 70% | 0.7 | S | S | * | * | trans | -71 | 70.9 | 154.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | P386 | P386-A388 PolarHBondContact O-N 3.04Š| ||
| 389 | R | 50.3 | Low | 58.4 | Low | 227 Ų | 227 | 131 Ų | 131 | 86% | 0.857 | 72% | 0.72 | S | S | * | * | trans | -163 | 113.2 | 165.5 | -114.1 | 167.1 | -177.1 | 144.2 | 1.1 | 111.9 | M387 | M387-R389 PolarHBondContact O-N 2.81Š| ||
| 390 | A | 46.5 | Very low | 56.4 | Low | 97 Ų | 97 | 133.5 Ų | 133.5 | 80% | 0.802 | 73% | 0.731 | S | S | * | * | trans | 75.3 | 79.6 | 159 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 391 | M | 44.7 | Very low | 54.7 | Low | 187 Ų | 187 | 134.1 Ų | 134.1 | 92% | 0.921 | 75% | 0.746 | S | S | * | * | trans | -68.3 | 153.9 | 141.6 | -155 | 162.3 | -160.8 | 0 | 0 | 109.3 | ||||
| 392 | S | 52 | Low | 52.9 | Low | 100 Ų | 100 | 139.2 Ų | 139.2 | 70% | 0.699 | 77% | 0.767 | S | S | * | * | trans | 88.7 | 119 | -175.7 | 87.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 393 | I | 51.9 | Low | 51.4 | Low | 136 Ų | 136 | 144.6 Ų | 144.6 | 70% | 0.697 | 78% | 0.784 | S | S | * | * | cis | -159.6 | 138.3 | 36.5 | -73.4 | 149.5 | 0 | 0 | 0 | 108.3 | T395 | I393-T395 HydrophobicContact CG2-CG2 3.85Š| ||
| 394 | P | 46.9 | Very low | 50.1 | Low | 132 Ų | 132 | 143.2 Ų | 143.2 | 86% | 0.857 | 79% | 0.787 | S | S | * | * | trans | -99.7 | 103.3 | 161.7 | 30.6 | -18.3 | 0 | 0 | 0 | 110.1 | ||||
| 395 | T | 56.7 | Low | 49.3 | Very low | 127 Ų | 127 | 142.7 Ų | 142.7 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | trans | -96 | 116.6 | 162.9 | 41.7 | 0 | 0 | 0 | 0 | 109.6 | I393 | I393-T395 HydrophobicContact CG2-CG2 3.85Š| ||
| 396 | S | 49.4 | Very low | 48.7 | Very low | 110 Ų | 110 | 147.4 Ų | 147.4 | 77% | 0.769 | 81% | 0.807 | S | S | * | * | trans | -50.7 | 148.7 | 174.6 | -171.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 397 | P | 48.9 | Very low | 48.5 | Very low | 122 Ų | 122 | 150.9 Ų | 150.9 | 79% | 0.792 | 81% | 0.813 | S | S | * | * | trans | -86.3 | 115.6 | -172.1 | 32.7 | -30.7 | 0 | 0 | 0 | 112.7 | R399 | P397-R399 PolarHBondContact O-N 3.24Š| ||
| 398 | T | 51.1 | Low | 48.1 | Very low | 133 Ų | 133 | 149.7 Ų | 149.7 | 82% | 0.816 | 82% | 0.816 | S | S | * | * | trans | -83.2 | 98.9 | 162.1 | 42.4 | 0 | 0 | 0 | 0 | 110.7 | I400 | T398-I400 PolarHBondContact O-N 3.05Š| ||
| 399 | R | 43.8 | Very low | 47.8 | Very low | 240 Ų | 240 | 150.3 Ų | 150.3 | 91% | 0.906 | 82% | 0.822 | S | S | * | * | trans | 18.4 | 100.6 | 131 | -163 | -169.1 | -80.6 | -160.2 | -1.9 | 115.7 | P397 | P397-R399 PolarHBondContact O-N 3.24Š| ||
| 400 | I | 46.1 | Very low | 47.8 | Very low | 144 Ų | 144 | 144.3 Ų | 144.3 | 74% | 0.738 | 82% | 0.82 | S | S | * | * | trans | -131.2 | 106.8 | 153.3 | -61.7 | 179.7 | 0 | 0 | 0 | 107.7 | T398 F402 | T398-I400 PolarHBondContact O-N 3.05Å; I400-F402 HydrophobicContact CG2-CD2 4.38Å; I400-F402 PolarHBondContact O-N 2.87Å | ||
| 401 | S | 49.1 | Very low | 47.9 | Very low | 107 Ų | 107 | 150.2 Ų | 150.2 | 75% | 0.748 | 85% | 0.846 | S | S | * | * | trans | -73.8 | 110 | 170.5 | 60.5 | 0 | 0 | 0 | 0 | 109.4 | H403 | S401-H403 VanDerWaalsContact C-N 3.34Å; S401-H403 PolarHBondContact O-N 3.16Å; S401-H403 VanDerWaalsContact O-N 3.17Å | ||
| 402 | F | 46.2 | Very low | 48.1 | Very low | 186 Ų | 186 | 148.4 Ų | 148.4 | 82% | 0.816 | 84% | 0.843 | S | S | * | * | trans | -78.1 | 84.8 | 162.3 | -102.5 | -95.5 | 0 | 0 | 0 | 108.6 | I400 | I400-F402 HydrophobicContact CG2-CD2 4.38Å; I400-F402 PolarHBondContact O-N 2.87Å | ||
| 403 | H | 48.5 | Very low | 47.9 | Very low | 187 Ų | 187 | 150.9 Ų | 150.9 | 87% | 0.866 | 85% | 0.85 | S | S | * | * | trans | -158 | 62.9 | 168.9 | -118 | -76.8 | 0 | 0 | 0 | 110.7 | S401 | S401-H403 VanDerWaalsContact C-N 3.34Å; S401-H403 PolarHBondContact O-N 3.16Å; S401-H403 VanDerWaalsContact O-N 3.17Å | ||
| 404 | S | 43.5 | Very low | 47.6 | Very low | 117 Ų | 117 | 151.8 Ų | 151.8 | 82% | 0.818 | 86% | 0.859 | S | S | * | * | trans | -171.5 | 68.1 | 160.5 | -164.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 405 | I | 45.9 | Very low | 47.7 | Very low | 156 Ų | 156 | 152.9 Ų | 152.9 | 80% | 0.8 | 86% | 0.859 | S | S | * | * | trans | -146.7 | 85 | 162.7 | -54 | 179.2 | 0 | 0 | 0 | 107.2 | ||||
| 406 | K | 45.5 | Very low | 47.1 | Very low | 201 Ų | 201 | 154.6 Ų | 154.6 | 87% | 0.874 | 86% | 0.864 | S | S | * | * | S | Bend | trans | 168.3 | 90.4 | 156.7 | -97 | 171.8 | -173.5 | -172.7 | 0 | 108.4 | ||
| 407 | Q | 48 | Very low | 46.9 | Very low | 187 Ų | 187 | 157.5 Ų | 157.5 | 87% | 0.874 | 87% | 0.87 | S | S | * | * | S | Bend | trans | 158.2 | 87.9 | 151.1 | -92.6 | 174.5 | -12.7 | 0 | 0 | 108.8 | ||
| 408 | T | 45.6 | Very low | 46.8 | Very low | 154 Ų | 154 | 160.1 Ų | 160.1 | 95% | 0.945 | 88% | 0.875 | S | S | * | * | trans | 172.3 | 79.5 | 147.9 | 23.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 409 | A | 44.2 | Very low | 46.5 | Very low | 107 Ų | 107 | 162.2 Ų | 162.2 | 88% | 0.884 | 88% | 0.88 | S | S | * | * | trans | -156.7 | 74.5 | 162.3 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 410 | A | 48.4 | Very low | 46.7 | Very low | 100 Ų | 100 | 155.7 Ų | 155.7 | 83% | 0.826 | 88% | 0.878 | S | S | * | * | trans | -158.9 | 87.3 | 164.1 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 411 | V | 49.6 | Very low | 46.8 | Very low | 222 Ų | 222 | 156.7 Ų | 156.7 | 100% | 1.345 | 89% | 0.891 | S | S | * | * | trans | -120.7 | 0 | 149.8 | 173.4 | 0 | 0 | 0 | 0 | 105.3 |
Retrieved 411 of 411 residues in 279.7 ms
(Link to these results)