| 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 | 54.1 | Low | 80.9 | Confident | 201 Ų | 201 | 110.9 Ų | 110.9 | 99% | 0.99 | 59% | 0.593 | S | S | * | * | 0 | 138.7 | 0 | -73.1 | -170.4 | -170.3 | 0 | 0 | 108.5 | E5 V6 | M1-E5 WeakPolarHBondContact CA-OE2 3.32Å; M1-V6 HydrophobicContact CB-CG2 3.89Å; M1-V6 HydrophobicContact SD-CG2 4.22Å | |||
| 2 | R | 72.7 | Confident | 81.6 | Confident | 181 Ų | 181 | 108.8 Ų | 108.8 | 68% | 0.683 | 59% | 0.587 | S | S | * | * | trans | -69.8 | 146.8 | 173.2 | -60.1 | 177.3 | -169.1 | 156.4 | 1.9 | 108.6 | S4 E5 V6 | R2-S4 PolarHBondContact O-N 2.85Å; R2-S4 VanDerWaalsContact O-N 3.16Å; R2-E5 HydrophobicContact CB-CG 4.1Å; R2-E5 WeakPolarHBondContact CD-OE1 3.31Å; R2-E5 PolarHBondContact N-OE2 3.34Å; R2-E5 IonicContact NE-OE1 3.96Å; R2-E5 WeakPolarHBondContact O-CB 3.39Å; R2-E5 PolarHBondContact O-N 3.37Å; R2-V6 PolarHBondContact O-N 3.08Å | ||
| 3 | K | 78.3 | Confident | 82.2 | Confident | 188 Ų | 188 | 104.3 Ų | 104.3 | 82% | 0.817 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -55.7 | -33.8 | 179.9 | -67.5 | -179 | 178.7 | 178.5 | 0 | 112.4 | V6 L7 | K3-V6 PolarHBondContact O-N 3.31Å; K3-L7 WeakPolarHBondContact O-CG 3.17Å; K3-L7 PolarHBondContact O-N 3.16Å; K3-L7 VanDerWaalsContact O-N 3.09Å |
| 4 | S | 82.8 | Confident | 82.6 | Confident | 77 Ų | 77 | 102.9 Ų | 102.9 | 54% | 0.538 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -65.1 | -36.7 | 174.9 | 51 | 0 | 0 | 0 | 0 | 113.7 | R2 L7 A8 | R2-S4 PolarHBondContact O-N 2.85Å; R2-S4 VanDerWaalsContact O-N 3.16Å; S4-L7 PolarHBondContact O-N 3.34Å; S4-A8 WeakPolarHBondContact O-CB 3.49Å; S4-A8 PolarHBondContact O-N 3.35Å |
| 5 | E | 83 | Confident | 83.1 | Confident | 85 Ų | 85 | 100.3 Ų | 100.3 | 40% | 0.397 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -69.4 | -36.8 | 177.9 | -65.4 | 161.8 | -177.3 | 0 | 0 | 111 | M1 R2 A8 A9 | M1-E5 WeakPolarHBondContact CA-OE2 3.32Å; R2-E5 HydrophobicContact CB-CG 4.1Å; R2-E5 WeakPolarHBondContact CD-OE1 3.31Å; R2-E5 PolarHBondContact N-OE2 3.34Å; R2-E5 IonicContact NE-OE1 3.96Å; R2-E5 WeakPolarHBondContact O-CB 3.39Å; R2-E5 PolarHBondContact O-N 3.37Å; E5-A8 PolarHBondContact O-N 2.93Å; E5-A9 PolarHBondContact O-N 3.5Å; E5-A9 VanDerWaalsContact O-N 3.07Å |
| 6 | V | 85.6 | Confident | 83.4 | Confident | 73 Ų | 73 | 99.6 Ų | 99.6 | 44% | 0.442 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -66.3 | -44.7 | 175.2 | -179.9 | 0 | 0 | 0 | 0 | 110.8 | M1 R2 K3 A8 A9 E10 | M1-V6 HydrophobicContact CB-CG2 3.89Å; M1-V6 HydrophobicContact SD-CG2 4.22Å; R2-V6 PolarHBondContact O-N 3.08Å; K3-V6 PolarHBondContact O-N 3.31Å; V6-A8 VanDerWaalsContact C-N 3.35Å; V6-A8 PolarHBondContact O-N 3.27Å; V6-A9 PolarHBondContact O-N 3.32Å; V6-E10 PolarHBondContact O-N 3.46Å |
| 7 | L | 85.7 | Confident | 83.7 | Confident | 109 Ų | 109 | 102.5 Ų | 102.5 | 57% | 0.571 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -63.9 | -38 | 176.3 | -72.5 | 171.1 | 0 | 0 | 0 | 112.5 | K3 S4 E10 A11 | K3-L7 WeakPolarHBondContact O-CG 3.17Å; K3-L7 PolarHBondContact O-N 3.16Å; K3-L7 VanDerWaalsContact O-N 3.09Å; S4-L7 PolarHBondContact O-N 3.34Å; L7-E10 PolarHBondContact O-N 2.84Å; L7-A11 WeakPolarHBondContact O-CB 3.48Å; L7-A11 PolarHBondContact O-N 3.2Å |
| 8 | A | 85.9 | Confident | 83.9 | Confident | 57 Ų | 57 | 99.6 Ų | 99.6 | 47% | 0.471 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.8 | -43.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | S4 E5 V6 A11 V12 | S4-A8 WeakPolarHBondContact O-CB 3.49Å; S4-A8 PolarHBondContact O-N 3.35Å; E5-A8 PolarHBondContact O-N 2.93Å; V6-A8 VanDerWaalsContact C-N 3.35Å; V6-A8 PolarHBondContact O-N 3.27Å; A8-A11 PolarHBondContact O-N 3.49Å; A8-V12 WeakPolarHBondContact O-CG2 3.45Å; A8-V12 PolarHBondContact O-N 3.2Å; A8-V12 VanDerWaalsContact O-N 3.16Å |
| 9 | A | 86.6 | Confident | 84.1 | Confident | 62 Ų | 62 | 97.3 Ų | 97.3 | 51% | 0.512 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65 | -38.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | E5 V6 V12 S13 | E5-A9 PolarHBondContact O-N 3.5Å; E5-A9 VanDerWaalsContact O-N 3.07Å; V6-A9 PolarHBondContact O-N 3.32Å; A9-V12 PolarHBondContact O-N 3.21Å; A9-S13 PolarHBondContact O-N 3.11Å |
| 10 | E | 88.4 | Confident | 84.2 | Confident | 124 Ų | 124 | 96.3 Ų | 96.3 | 58% | 0.579 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.8 | -43.2 | 175.1 | -173.5 | 173.5 | -168.5 | 0 | 0 | 112.1 | V6 L7 V12 S13 C14 | V6-E10 PolarHBondContact O-N 3.46Å; L7-E10 PolarHBondContact O-N 2.84Å; E10-V12 VanDerWaalsContact C-N 3.34Å; E10-V12 PolarHBondContact O-N 3.4Å; E10-S13 WeakPolarHBondContact O-CB 3.34Å; E10-S13 PolarHBondContact O-N 3.16Å; E10-S13 VanDerWaalsContact O-N 3.16Å; E10-C14 PolarHBondContact O-N 3.23Å |
| 11 | A | 86.9 | Confident | 84.4 | Confident | 63 Ų | 63 | 97.2 Ų | 97.2 | 52% | 0.521 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -59.8 | -42.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L7 A8 C14 L15 | L7-A11 WeakPolarHBondContact O-CB 3.48Å; L7-A11 PolarHBondContact O-N 3.2Å; A8-A11 PolarHBondContact O-N 3.49Å; A11-C14 PolarHBondContact O-N 3.49Å; A11-L15 PolarHBondContact O-N 2.83Å |
| 12 | V | 89.6 | Confident | 85.9 | Confident | 85 Ų | 85 | 90.5 Ų | 90.5 | 52% | 0.515 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64 | -41.8 | 174.7 | 173.8 | 0 | 0 | 0 | 0 | 111.3 | A8 A9 E10 L15 N16 | A8-V12 WeakPolarHBondContact O-CG2 3.45Å; A8-V12 PolarHBondContact O-N 3.2Å; A8-V12 VanDerWaalsContact O-N 3.16Å; A9-V12 PolarHBondContact O-N 3.21Å; E10-V12 VanDerWaalsContact C-N 3.34Å; E10-V12 PolarHBondContact O-N 3.4Å; V12-L15 PolarHBondContact O-N 3.31Å; V12-N16 PolarHBondContact O-N 2.84Å; V12-N16 PolarHBondContact O-ND2 3.39Å |
| 13 | S | 88.6 | Confident | 86.6 | Confident | 51 Ų | 51 | 87.2 Ų | 87.2 | 36% | 0.357 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.3 | -42.1 | 176 | -175.4 | 0 | 0 | 0 | 0 | 112.2 | A9 E10 N16 K17 | A9-S13 PolarHBondContact O-N 3.11Å; E10-S13 WeakPolarHBondContact O-CB 3.34Å; E10-S13 PolarHBondContact O-N 3.16Å; E10-S13 VanDerWaalsContact O-N 3.16Å; S13-N16 PolarHBondContact O-N 3.3Å; S13-K17 WeakPolarHBondContact O-CG 3.49Å; S13-K17 PolarHBondContact O-N 2.91Å |
| 14 | C | 88.8 | Confident | 87 | Confident | 84 Ų | 84 | 81.9 Ų | 81.9 | 57% | 0.568 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -61.3 | -44.4 | 176.5 | -171.1 | 0 | 0 | 0 | 0 | 111.7 | E10 A11 K17 A18 | E10-C14 PolarHBondContact O-N 3.23Å; A11-C14 PolarHBondContact O-N 3.49Å; C14-K17 PolarHBondContact O-N 2.87Å; C14-A18 WeakPolarHBondContact O-CB 3.4Å; C14-A18 PolarHBondContact O-N 2.81Å |
| 15 | L | 88.9 | Confident | 87.3 | Confident | 65 Ų | 65 | 81 Ų | 81 | 34% | 0.34 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -60.4 | -46.1 | 175.8 | 177.9 | 61.7 | 0 | 0 | 0 | 111.6 | A11 V12 K17 A18 L19 I47 | A11-L15 PolarHBondContact O-N 2.83Å; V12-L15 PolarHBondContact O-N 3.31Å; L15-K17 PolarHBondContact O-N 3.43Å; L15-A18 PolarHBondContact O-N 2.86Å; L15-L19 HydrophobicContact CD1-CD1 4.12Å; L15-L19 HydrophobicContact CD1-CG 4.19Å; L15-L19 HydrophobicContact CG-CD1 4.06Å; L15-L19 WeakPolarHBondContact O-CG 3.33Å; L15-L19 PolarHBondContact O-N 3.18Å; L15-I47 HydrophobicContact CD1-CD1 3.48Å; L15-I47 VanDerWaalsContact CD1-CD1 3.48Å; L15-I47 HydrophobicContact CD2-CD1 3.87Å; L15-I47 HydrophobicContact CG-CD1 4.33Å |
| 16 | N | 88 | Confident | 87.6 | Confident | 88 Ų | 88 | 78.3 Ų | 78.3 | 47% | 0.471 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.5 | -43.3 | 178.8 | -75.7 | -27.6 | 0 | 0 | 0 | 112.1 | V12 S13 A18 L19 C20 | V12-N16 PolarHBondContact O-N 2.84Å; V12-N16 PolarHBondContact O-ND2 3.39Å; S13-N16 PolarHBondContact O-N 3.3Å; N16-A18 VanDerWaalsContact C-N 3.35Å; N16-A18 PolarHBondContact O-N 3.05Å; N16-L19 PolarHBondContact O-N 3.38Å; N16-C20 WeakPolarHBondContact O-CB 3.47Å; N16-C20 PolarHBondContact O-N 3.08Å; N16-C20 PolarHBondContact O-SG 3.05Å; N16-C20 VanDerWaalsContact O-SG 3.34Å |
| 17 | K | 89.1 | Confident | 87.6 | Confident | 150 Ų | 150 | 79.5 Ų | 79.5 | 65% | 0.652 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -59.8 | -44.3 | 174.8 | -72.8 | 174.3 | -177.6 | 175.6 | 0 | 111.7 | S13 C14 L15 C20 H21 | S13-K17 WeakPolarHBondContact O-CG 3.49Å; S13-K17 PolarHBondContact O-N 2.91Å; C14-K17 PolarHBondContact O-N 2.87Å; L15-K17 PolarHBondContact O-N 3.43Å; K17-C20 PolarHBondContact O-N 3.29Å; K17-H21 WeakPolarHBondContact O-CB 3.27Å; K17-H21 PolarHBondContact O-N 2.99Å |
| 18 | A | 87.7 | Confident | 87.7 | Confident | 49 Ų | 49 | 82.3 Ų | 82.3 | 41% | 0.405 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -65.1 | -40.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | C14 L15 N16 H21 L22 | C14-A18 WeakPolarHBondContact O-CB 3.4Å; C14-A18 PolarHBondContact O-N 2.81Å; L15-A18 PolarHBondContact O-N 2.86Å; N16-A18 VanDerWaalsContact C-N 3.35Å; N16-A18 PolarHBondContact O-N 3.05Å; A18-H21 PolarHBondContact O-N 3.43Å; A18-L22 WeakPolarHBondContact O-CG 3.15Å; A18-L22 PolarHBondContact O-N 3.01Å |
| 19 | L | 86.8 | Confident | 87.8 | Confident | 57 Ų | 57 | 85.1 Ų | 85.1 | 30% | 0.298 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -68.7 | -40.3 | 176.5 | -70.9 | 174.5 | 0 | 0 | 0 | 112.5 | L15 N16 H21 L22 K23 V43 | L15-L19 HydrophobicContact CD1-CD1 4.12Å; L15-L19 HydrophobicContact CD1-CG 4.19Å; L15-L19 HydrophobicContact CG-CD1 4.06Å; L15-L19 WeakPolarHBondContact O-CG 3.33Å; L15-L19 PolarHBondContact O-N 3.18Å; N16-L19 PolarHBondContact O-N 3.38Å; L19-H21 VanDerWaalsContact C-N 3.34Å; L19-L22 HydrophobicContact CD2-CD1 4.44Å; L19-L22 PolarHBondContact O-N 3.09Å; L19-K23 PolarHBondContact O-N 3.39Å; L19-V43 HydrophobicContact CD2-CG1 4.27Å |
| 20 | C | 86.8 | Confident | 87.7 | Confident | 76 Ų | 76 | 84.8 Ų | 84.8 | 51% | 0.514 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -59.8 | -45.9 | 172.1 | -72.6 | 0 | 0 | 0 | 0 | 111 | N16 K17 L22 K23 D24 | N16-C20 WeakPolarHBondContact O-CB 3.47Å; N16-C20 PolarHBondContact O-N 3.08Å; N16-C20 PolarHBondContact O-SG 3.05Å; N16-C20 VanDerWaalsContact O-SG 3.34Å; K17-C20 PolarHBondContact O-N 3.29Å; C20-L22 PolarHBondContact O-N 3.32Å; C20-K23 WeakPolarHBondContact O-CB 3.35Å; C20-K23 PolarHBondContact O-N 3.26Å; C20-K23 VanDerWaalsContact O-N 3.15Å; C20-D24 VanDerWaalsContact O-CG 3.27Å; C20-D24 PolarHBondContact O-N 3.45Å |
| 21 | H | 88.6 | Confident | 87.5 | Confident | 116 Ų | 116 | 80 Ų | 80 | 54% | 0.537 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -64.4 | -39.6 | 178.7 | -169.4 | 50.4 | 0 | 0 | 0 | 113 | K17 A18 L19 K23 D24 I25 | K17-H21 WeakPolarHBondContact O-CB 3.27Å; K17-H21 PolarHBondContact O-N 2.99Å; A18-H21 PolarHBondContact O-N 3.43Å; L19-H21 VanDerWaalsContact C-N 3.34Å; H21-K23 VanDerWaalsContact C-N 3.29Å; H21-K23 PolarHBondContact O-N 3.39Å; H21-D24 PolarHBondContact O-N 3.46Å; H21-I25 WeakPolarHBondContact O-CG1 3.3Å; H21-I25 PolarHBondContact O-N 3.16Å |
| 22 | L | 85.9 | Confident | 87.6 | Confident | 60 Ų | 60 | 80.3 Ų | 80.3 | 31% | 0.314 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -61.3 | -38.4 | 173.2 | -77.9 | 171.2 | 0 | 0 | 0 | 112.2 | A18 L19 C20 I25 W26 | A18-L22 WeakPolarHBondContact O-CG 3.15Å; A18-L22 PolarHBondContact O-N 3.01Å; L19-L22 HydrophobicContact CD2-CD1 4.44Å; L19-L22 PolarHBondContact O-N 3.09Å; C20-L22 PolarHBondContact O-N 3.32Å; L22-I25 PolarHBondContact O-N 3.18Å; L22-W26 HydrophobicContact CB-CH2 4.37Å; L22-W26 HydrophobicContact CB-CZ2 4.21Å; L22-W26 VanDerWaalsContact O-CD2 3.27Å; L22-W26 PolarHBondContact O-N 3.2Å |
| 23 | K | 85.9 | Confident | 87.3 | Confident | 112 Ų | 112 | 82.2 Ų | 82.2 | 49% | 0.487 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -63 | -47.8 | 175.4 | -177.4 | -171.3 | 169.3 | -168.8 | 0 | 111 | L19 C20 H21 I25 W26 E27 | L19-K23 PolarHBondContact O-N 3.39Å; C20-K23 WeakPolarHBondContact O-CB 3.35Å; C20-K23 PolarHBondContact O-N 3.26Å; C20-K23 VanDerWaalsContact O-N 3.15Å; H21-K23 VanDerWaalsContact C-N 3.29Å; H21-K23 PolarHBondContact O-N 3.39Å; K23-I25 VanDerWaalsContact C-N 3.33Å; K23-I25 PolarHBondContact O-N 3.39Å; K23-W26 PolarHBondContact O-N 2.8Å; K23-W26 VanDerWaalsContact O-N 3.15Å; K23-E27 WeakPolarHBondContact CE-OE1 3.38Å; K23-E27 IonicContact NZ-OE1 3.84Å; K23-E27 WeakPolarHBondContact O-CG 3.32Å; K23-E27 PolarHBondContact O-N 3.05Å |
| 24 | D | 88 | Confident | 87.1 | Confident | 77 Ų | 77 | 85.6 Ų | 85.6 | 41% | 0.412 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -57.9 | -46 | 178.1 | -59 | -24.4 | 0 | 0 | 0 | 110.7 | C20 H21 W26 E27 E28 | C20-D24 VanDerWaalsContact O-CG 3.27Å; C20-D24 PolarHBondContact O-N 3.45Å; H21-D24 PolarHBondContact O-N 3.46Å; D24-W26 PolarHBondContact O-N 3.19Å; D24-E27 WeakPolarHBondContact O-CB 3.37Å; D24-E27 PolarHBondContact O-N 3.14Å; D24-E28 WeakPolarHBondContact O-CG 3.4Å; D24-E28 PolarHBondContact O-N 3.02Å |
| 25 | I | 87.8 | Confident | 86.9 | Confident | 57 Ų | 57 | 85.7 Ų | 85.7 | 29% | 0.292 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -60.7 | -42.3 | 175.9 | -66.7 | 166 | 0 | 0 | 0 | 111.8 | H21 L22 K23 E27 E28 I29 | H21-I25 WeakPolarHBondContact O-CG1 3.3Å; H21-I25 PolarHBondContact O-N 3.16Å; L22-I25 PolarHBondContact O-N 3.18Å; K23-I25 VanDerWaalsContact C-N 3.33Å; K23-I25 PolarHBondContact O-N 3.39Å; I25-E27 VanDerWaalsContact C-N 3.31Å; I25-E27 PolarHBondContact O-N 3.38Å; I25-E28 PolarHBondContact O-N 3.46Å; I25-I29 HydrophobicContact CG2-CD1 3.65Å; I25-I29 HydrophobicContact CG2-CG1 4.45Å; I25-I29 VanDerWaalsContact O-CG1 3.27Å; I25-I29 WeakPolarHBondContact O-CG1 3.28Å; I25-I29 PolarHBondContact O-N 2.85Å |
| 26 | W | 89.4 | Confident | 86.7 | Confident | 30 Ų | 30 | 84.5 Ų | 84.5 | 11% | 0.114 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -69.2 | -29.3 | 178.9 | -64.7 | -20.3 | 0 | 0 | 0 | 113.2 | L22 K23 D24 G30 I31 R36 R39 T40 | L22-W26 HydrophobicContact CB-CH2 4.37Å; L22-W26 HydrophobicContact CB-CZ2 4.21Å; L22-W26 VanDerWaalsContact O-CD2 3.27Å; L22-W26 PolarHBondContact O-N 3.2Å; K23-W26 PolarHBondContact O-N 2.8Å; K23-W26 VanDerWaalsContact O-N 3.15Å; D24-W26 PolarHBondContact O-N 3.19Å; W26-G30 PolarHBondContact O-N 3.05Å; W26-G30 VanDerWaalsContact O-N 3.13Å; W26-I31 HydrophobicContact CB-CB 4.44Å; W26-I31 HydrophobicContact CB-CD1 4.21Å; W26-I31 VanDerWaalsContact CD1-CD1 3.49Å; W26-I31 HydrophobicContact CG-CD1 4Å; W26-I31 PolarHBondContact O-N 2.9Å; W26-I31 VanDerWaalsContact O-N 3.16Å; W26-R36 HydrophobicContact CB-CG 4.12Å; W26-R36 HydrophobicContact CD2-CB 4.45Å; W26-R36 HydrophobicContact CD2-CG 4.07Å; W26-R36 HydrophobicContact CE3-CB 3.78Å; W26-R36 HydrophobicContact CE3-CG 3.75Å; W26-R36 HydrophobicContact CG-CG 4.27Å; W26-R36 HydrophobicContact CZ3-CB 4.05Å; W26-R36 PolarHBondContact O-NH2 2.94Å; W26-R39 HydrophobicContact CH2-CB 4.03Å; W26-R39 HydrophobicContact CZ2-CB 3.76Å; W26-T40 VanDerWaalsContact CH2-OG1 3.27Å; W26-T40 WeakPolarHBondContact CH2-OG1 3.12Å; W26-T40 VanDerWaalsContact CZ3-OG1 3.24Å; W26-T40 WeakPolarHBondContact CZ3-OG1 3.43Å |
| 27 | E | 87.2 | Confident | 86.7 | Confident | 98 Ų | 98 | 85.7 Ų | 85.7 | 46% | 0.458 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -68.5 | -44 | 171.9 | -73.7 | 179.6 | -177.6 | 0 | 0 | 111.6 | K23 D24 I25 I29 G30 | K23-E27 WeakPolarHBondContact CE-OE1 3.38Å; K23-E27 IonicContact NZ-OE1 3.84Å; K23-E27 WeakPolarHBondContact O-CG 3.32Å; K23-E27 PolarHBondContact O-N 3.05Å; D24-E27 WeakPolarHBondContact O-CB 3.37Å; D24-E27 PolarHBondContact O-N 3.14Å; I25-E27 VanDerWaalsContact C-N 3.31Å; I25-E27 PolarHBondContact O-N 3.38Å; E27-I29 PolarHBondContact O-N 3.07Å; E27-G30 PolarHBondContact O-N 2.84Å |
| 28 | E | 87.1 | Confident | 86.5 | Confident | 168 Ų | 168 | 84.8 Ų | 84.8 | 79% | 0.785 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -62.7 | -39.1 | 175.3 | -71.3 | 178.8 | -172.9 | 0 | 0 | 113.1 | D24 I25 | D24-E28 WeakPolarHBondContact O-CG 3.4Å; D24-E28 PolarHBondContact O-N 3.02Å; I25-E28 PolarHBondContact O-N 3.46Å |
| 29 | I | 87.6 | Confident | 86.5 | Confident | 115 Ų | 115 | 87.7 Ų | 87.7 | 59% | 0.59 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -78.5 | -23 | -179.8 | -62.4 | 168.7 | 0 | 0 | 0 | 112.2 | I25 E27 I31 | I25-I29 HydrophobicContact CG2-CD1 3.65Å; I25-I29 HydrophobicContact CG2-CG1 4.45Å; I25-I29 VanDerWaalsContact O-CG1 3.27Å; I25-I29 WeakPolarHBondContact O-CG1 3.28Å; I25-I29 PolarHBondContact O-N 2.85Å; E27-I29 PolarHBondContact O-N 3.07Å; I29-I31 HydrophobicContact CB-CD1 4.27Å; I29-I31 HydrophobicContact CB-CG1 4.28Å; I29-I31 HydrophobicContact CD1-CD1 4.49Å; I29-I31 HydrophobicContact CG2-CD1 4.07Å; I29-I31 HydrophobicContact CG2-CG1 3.89Å |
| 30 | G | 84.6 | Confident | 86.5 | Confident | 56 Ų | 56 | 87.5 Ų | 87.5 | 58% | 0.577 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.2 | 31.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | W26 E27 | W26-G30 PolarHBondContact O-N 3.05Å; W26-G30 VanDerWaalsContact O-N 3.13Å; E27-G30 PolarHBondContact O-N 2.84Å |
| 31 | I | 85.2 | Confident | 86.6 | Confident | 23 Ų | 23 | 87.5 Ų | 87.5 | 12% | 0.118 | 44% | 0.442 | C | S | . | . | trans | -69.7 | 133.4 | 179.6 | -68.9 | 162.6 | 0 | 0 | 0 | 110.6 | W26 I29 Q35 R36 | W26-I31 HydrophobicContact CB-CB 4.44Å; W26-I31 HydrophobicContact CB-CD1 4.21Å; W26-I31 VanDerWaalsContact CD1-CD1 3.49Å; W26-I31 HydrophobicContact CG-CD1 4Å; W26-I31 PolarHBondContact O-N 2.9Å; W26-I31 VanDerWaalsContact O-N 3.16Å; I29-I31 HydrophobicContact CB-CD1 4.27Å; I29-I31 HydrophobicContact CB-CG1 4.28Å; I29-I31 HydrophobicContact CD1-CD1 4.49Å; I29-I31 HydrophobicContact CG2-CD1 4.07Å; I29-I31 HydrophobicContact CG2-CG1 3.89Å; I31-Q35 HydrophobicContact CG2-CB 3.72Å; I31-R36 HydrophobicContact CB-CG 4.29Å; I31-R36 HydrophobicContact CG2-CG 3.75Å; I31-R36 VanDerWaalsContact O-CZ 3.29Å; I31-R36 PolarHBondContact O-NE 2.94Å; I31-R36 PolarHBondContact O-NH2 3.49Å | ||
| 32 | P | 87.8 | Confident | 86.6 | Confident | 69 Ų | 69 | 85.8 Ų | 85.8 | 45% | 0.448 | 44% | 0.439 | S | S | . | . | trans | -67.2 | 150.6 | 177.8 | 27.7 | -34.7 | 0 | 0 | 0 | 112.7 | D34 Q35 R36 | P32-D34 VanDerWaalsContact C-N 3.27Å; P32-D34 PolarHBondContact O-N 3.2Å; P32-Q35 HydrophobicContact CG-CB 4.38Å; P32-Q35 HydrophobicContact CG-CG 4.08Å; P32-Q35 PolarHBondContact O-N 3.02Å; P32-R36 PolarHBondContact O-N 2.9Å | ||
| 33 | E | 83.7 | Confident | 86.7 | Confident | 125 Ų | 125 | 85.2 Ų | 85.2 | 58% | 0.584 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -56 | -38.8 | -172.6 | -171.9 | 60 | -164.4 | 0 | 0 | 113.1 | Q35 R36 L37 | E33-Q35 VanDerWaalsContact C-N 3.27Å; E33-Q35 PolarHBondContact O-N 2.81Å; E33-R36 PolarHBondContact O-N 2.98Å; E33-R36 VanDerWaalsContact O-N 3.1Å; E33-L37 WeakPolarHBondContact O-CB 3.48Å; E33-L37 PolarHBondContact O-N 3.43Å |
| 34 | D | 84.5 | Confident | 86.9 | Confident | 123 Ų | 123 | 86 Ų | 86 | 66% | 0.658 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -58.8 | -38.1 | 179.2 | -54.1 | -28.8 | 0 | 0 | 0 | 112.2 | P32 Q38 | P32-D34 VanDerWaalsContact C-N 3.27Å; P32-D34 PolarHBondContact O-N 3.2Å; D34-Q38 VanDerWaalsContact O-CG 3.32Å; D34-Q38 WeakPolarHBondContact O-CG 3.37Å; D34-Q38 PolarHBondContact O-N 3.15Å; D34-Q38 VanDerWaalsContact O-N 3.09Å |
| 35 | Q | 84.6 | Confident | 87.1 | Confident | 85 Ų | 85 | 84.4 Ų | 84.4 | 40% | 0.397 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -77.8 | -33.2 | 177.1 | -69 | -175.7 | 18.3 | 0 | 0 | 112.5 | I31 P32 E33 L37 Q38 R39 | I31-Q35 HydrophobicContact CG2-CB 3.72Å; P32-Q35 HydrophobicContact CG-CB 4.38Å; P32-Q35 HydrophobicContact CG-CG 4.08Å; P32-Q35 PolarHBondContact O-N 3.02Å; E33-Q35 VanDerWaalsContact C-N 3.27Å; E33-Q35 PolarHBondContact O-N 2.81Å; Q35-L37 VanDerWaalsContact C-N 3.35Å; Q35-Q38 PolarHBondContact O-N 3.38Å; Q35-R39 WeakPolarHBondContact O-CG 3.39Å; Q35-R39 PolarHBondContact O-N 2.98Å |
| 36 | R | 84.3 | Confident | 87.2 | Confident | 40 Ų | 40 | 87.8 Ų | 87.8 | 15% | 0.151 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -64.9 | -42.1 | 173.1 | -62.1 | -177.7 | -171.3 | -176.6 | -3 | 110.6 | W26 I31 P32 E33 R39 T40 | W26-R36 HydrophobicContact CB-CG 4.12Å; W26-R36 HydrophobicContact CD2-CB 4.45Å; W26-R36 HydrophobicContact CD2-CG 4.07Å; W26-R36 HydrophobicContact CE3-CB 3.78Å; W26-R36 HydrophobicContact CE3-CG 3.75Å; W26-R36 HydrophobicContact CG-CG 4.27Å; W26-R36 HydrophobicContact CZ3-CB 4.05Å; W26-R36 PolarHBondContact O-NH2 2.94Å; I31-R36 HydrophobicContact CB-CG 4.29Å; I31-R36 HydrophobicContact CG2-CG 3.75Å; I31-R36 VanDerWaalsContact O-CZ 3.29Å; I31-R36 PolarHBondContact O-NE 2.94Å; I31-R36 PolarHBondContact O-NH2 3.49Å; P32-R36 PolarHBondContact O-N 2.9Å; E33-R36 PolarHBondContact O-N 2.98Å; E33-R36 VanDerWaalsContact O-N 3.1Å; R36-R39 PolarHBondContact O-N 2.69Å; R36-T40 WeakPolarHBondContact O-CB 3.49Å; R36-T40 PolarHBondContact O-N 2.92Å; R36-T40 PolarHBondContact O-OG1 3.46Å |
| 37 | L | 87.3 | Confident | 87.2 | Confident | 113 Ų | 113 | 89 Ų | 89 | 59% | 0.592 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -62.3 | -45.2 | 175.1 | -174.5 | 65.3 | 0 | 0 | 0 | 111 | E33 Q35 T40 N41 | E33-L37 WeakPolarHBondContact O-CB 3.48Å; E33-L37 PolarHBondContact O-N 3.43Å; Q35-L37 VanDerWaalsContact C-N 3.35Å; L37-T40 PolarHBondContact O-N 3.32Å; L37-N41 WeakPolarHBondContact O-CB 3.39Å; L37-N41 PolarHBondContact O-N 2.72Å |
| 38 | Q | 86.4 | Confident | 87.4 | Confident | 132 Ų | 132 | 89.7 Ų | 89.7 | 62% | 0.617 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -58.2 | -49.6 | 174.6 | -76.5 | 175.2 | 5.9 | 0 | 0 | 112 | D34 Q35 N41 V42 | D34-Q38 VanDerWaalsContact O-CG 3.32Å; D34-Q38 WeakPolarHBondContact O-CG 3.37Å; D34-Q38 PolarHBondContact O-N 3.15Å; D34-Q38 VanDerWaalsContact O-N 3.09Å; Q35-Q38 PolarHBondContact O-N 3.38Å; Q38-N41 PolarHBondContact O-N 2.7Å; Q38-V42 WeakPolarHBondContact O-CG2 3.48Å; Q38-V42 PolarHBondContact O-N 3.45Å |
| 39 | R | 87.8 | Confident | 87.7 | Confident | 109 Ų | 109 | 85.9 Ų | 85.9 | 41% | 0.411 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -63.2 | -43.6 | 179.2 | -71.5 | 178.8 | 177.9 | 114.7 | 0.2 | 112.2 | W26 Q35 R36 N41 V42 V43 | W26-R39 HydrophobicContact CH2-CB 4.03Å; W26-R39 HydrophobicContact CZ2-CB 3.76Å; Q35-R39 WeakPolarHBondContact O-CG 3.39Å; Q35-R39 PolarHBondContact O-N 2.98Å; R36-R39 PolarHBondContact O-N 2.69Å; R39-N41 VanDerWaalsContact C-N 3.33Å; R39-N41 PolarHBondContact O-N 3.32Å; R39-V42 WeakPolarHBondContact O-CB 3.36Å; R39-V42 PolarHBondContact O-N 3.49Å; R39-V43 PolarHBondContact O-N 3.35Å; R39-V43 VanDerWaalsContact O-N 3.15Å |
| 40 | T | 85.8 | Confident | 88 | Confident | 54 Ų | 54 | 84.8 Ų | 84.8 | 33% | 0.331 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -65.8 | -36.8 | 176.9 | -51.2 | 0 | 0 | 0 | 0 | 111.6 | W26 R36 L37 V42 V43 K44 | W26-T40 VanDerWaalsContact CH2-OG1 3.27Å; W26-T40 WeakPolarHBondContact CH2-OG1 3.12Å; W26-T40 VanDerWaalsContact CZ3-OG1 3.24Å; W26-T40 WeakPolarHBondContact CZ3-OG1 3.43Å; R36-T40 WeakPolarHBondContact O-CB 3.49Å; R36-T40 PolarHBondContact O-N 2.92Å; R36-T40 PolarHBondContact O-OG1 3.46Å; L37-T40 PolarHBondContact O-N 3.32Å; T40-V42 VanDerWaalsContact C-N 3.35Å; T40-V43 PolarHBondContact O-N 3.08Å; T40-K44 WeakPolarHBondContact O-CB 3.46Å; T40-K44 PolarHBondContact O-N 3.23Å |
| 41 | N | 87.9 | Confident | 88.3 | Confident | 76 Ų | 76 | 86.9 Ų | 86.9 | 41% | 0.406 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -66.8 | -36.4 | 176.2 | -165.9 | 43.2 | 0 | 0 | 0 | 111.8 | L37 Q38 R39 K44 N45 | L37-N41 WeakPolarHBondContact O-CB 3.39Å; L37-N41 PolarHBondContact O-N 2.72Å; Q38-N41 PolarHBondContact O-N 2.7Å; R39-N41 VanDerWaalsContact C-N 3.33Å; R39-N41 PolarHBondContact O-N 3.32Å; N41-K44 PolarHBondContact O-N 3.27Å; N41-N45 WeakPolarHBondContact O-CB 3.49Å; N41-N45 PolarHBondContact O-N 3.07Å; N41-N45 PolarHBondContact O-ND2 2.91Å; N41-N45 VanDerWaalsContact O-ND2 3.17Å |
| 42 | V | 89.4 | Confident | 88.7 | Confident | 79 Ų | 79 | 91 Ų | 91 | 48% | 0.479 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -61.1 | -46.8 | 171.6 | 174 | 0 | 0 | 0 | 0 | 110.8 | Q38 R39 T40 N45 H46 | Q38-V42 WeakPolarHBondContact O-CG2 3.48Å; Q38-V42 PolarHBondContact O-N 3.45Å; R39-V42 WeakPolarHBondContact O-CB 3.36Å; R39-V42 PolarHBondContact O-N 3.49Å; T40-V42 VanDerWaalsContact C-N 3.35Å; V42-N45 PolarHBondContact O-N 3.4Å; V42-H46 PolarHBondContact O-N 2.89Å; V42-H46 PolarHBondContact O-ND1 3.03Å |
| 43 | V | 88.7 | Confident | 89 | Confident | 49 Ų | 49 | 92.1 Ų | 92.1 | 30% | 0.297 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -60.7 | -48.2 | 176.5 | 174.8 | 0 | 0 | 0 | 0 | 111.4 | L19 R39 T40 N45 H46 I47 | L19-V43 HydrophobicContact CD2-CG1 4.27Å; R39-V43 PolarHBondContact O-N 3.35Å; R39-V43 VanDerWaalsContact O-N 3.15Å; T40-V43 PolarHBondContact O-N 3.08Å; V43-N45 VanDerWaalsContact C-N 3.3Å; V43-N45 PolarHBondContact O-N 2.73Å; V43-H46 PolarHBondContact O-N 3.35Å; V43-I47 HydrophobicContact CG1-CD1 3.76Å; V43-I47 HydrophobicContact CG1-CG1 4.47Å; V43-I47 WeakPolarHBondContact O-CG1 3.4Å; V43-I47 PolarHBondContact O-N 3.05Å |
| 44 | K | 90.1 | Very high | 89.5 | Confident | 128 Ų | 128 | 91 Ų | 91 | 56% | 0.557 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -54.9 | -45 | 175.1 | 176.2 | -173.2 | 168.4 | -175.8 | 0 | 111.6 | T40 N41 I47 R48 | T40-K44 WeakPolarHBondContact O-CB 3.46Å; T40-K44 PolarHBondContact O-N 3.23Å; N41-K44 PolarHBondContact O-N 3.27Å; K44-I47 PolarHBondContact O-N 2.84Å; K44-R48 VanDerWaalsContact O-CB 3.25Å; K44-R48 WeakPolarHBondContact O-CB 3.18Å; K44-R48 PolarHBondContact O-N 3.32Å |
| 45 | N | 91.3 | Very high | 89.9 | Confident | 44 Ų | 44 | 88.9 Ų | 88.9 | 24% | 0.235 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -65.2 | -40.8 | 179.5 | -73.3 | -27.1 | 0 | 0 | 0 | 112.1 | N41 V42 V43 R48 N49 | N41-N45 WeakPolarHBondContact O-CB 3.49Å; N41-N45 PolarHBondContact O-N 3.07Å; N41-N45 PolarHBondContact O-ND2 2.91Å; N41-N45 VanDerWaalsContact O-ND2 3.17Å; V42-N45 PolarHBondContact O-N 3.4Å; V43-N45 VanDerWaalsContact C-N 3.3Å; V43-N45 PolarHBondContact O-N 2.73Å; N45-R48 PolarHBondContact O-N 2.81Å; N45-R48 PolarHBondContact OD1-NH2 2.86Å; N45-N49 WeakPolarHBondContact O-CB 3.31Å; N45-N49 PolarHBondContact O-N 2.86Å; N45-N49 PolarHBondContact O-ND2 2.78Å; N45-N49 PolarHBondContact O-OD1 3.3Å |
| 46 | H | 90.2 | Very high | 90.3 | Very high | 127 Ų | 127 | 92 Ų | 92 | 59% | 0.588 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -64.9 | -45 | 177.5 | -76 | 63.3 | 0 | 0 | 0 | 111.8 | V42 V43 N49 L50 | V42-H46 PolarHBondContact O-N 2.89Å; V42-H46 PolarHBondContact O-ND1 3.03Å; V43-H46 PolarHBondContact O-N 3.35Å; H46-N49 PolarHBondContact O-N 3.15Å; H46-L50 PolarHBondContact O-N 2.9Å |
| 47 | I | 90.8 | Very high | 90.8 | Very high | 55 Ų | 55 | 95.2 Ų | 95.2 | 28% | 0.282 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.9 | -45.9 | 177.5 | -65.4 | 169.5 | 0 | 0 | 0 | 110.6 | L15 V43 K44 N49 L50 L51 | L15-I47 HydrophobicContact CD1-CD1 3.48Å; L15-I47 VanDerWaalsContact CD1-CD1 3.48Å; L15-I47 HydrophobicContact CD2-CD1 3.87Å; L15-I47 HydrophobicContact CG-CD1 4.33Å; V43-I47 HydrophobicContact CG1-CD1 3.76Å; V43-I47 HydrophobicContact CG1-CG1 4.47Å; V43-I47 WeakPolarHBondContact O-CG1 3.4Å; V43-I47 PolarHBondContact O-N 3.05Å; K44-I47 PolarHBondContact O-N 2.84Å; I47-N49 PolarHBondContact O-N 3Å; I47-L50 PolarHBondContact O-N 3.48Å; I47-L51 HydrophobicContact CG2-CD1 3.93Å; I47-L51 HydrophobicContact CG2-CG 4.4Å; I47-L51 WeakPolarHBondContact O-CG 3.21Å; I47-L51 PolarHBondContact O-N 3.48Å |
| 48 | R | 91.3 | Very high | 91 | Very high | 113 Ų | 113 | 95.8 Ų | 95.8 | 43% | 0.426 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -58.7 | -48.8 | 177.2 | -180 | -178.5 | 62 | 174.4 | -2.9 | 111.4 | K44 N45 L50 L51 E52 | K44-R48 VanDerWaalsContact O-CB 3.25Å; K44-R48 WeakPolarHBondContact O-CB 3.18Å; K44-R48 PolarHBondContact O-N 3.32Å; N45-R48 PolarHBondContact O-N 2.81Å; N45-R48 PolarHBondContact OD1-NH2 2.86Å; R48-L50 VanDerWaalsContact C-N 3.32Å; R48-L50 PolarHBondContact O-N 2.78Å; R48-L51 PolarHBondContact O-N 2.87Å; R48-E52 VanDerWaalsContact CD-OE1 3.31Å; R48-E52 WeakPolarHBondContact CD-OE1 3.49Å; R48-E52 HydrophobicContact CG-CG 4.22Å; R48-E52 WeakPolarHBondContact CG-OE1 3.33Å; R48-E52 IonicContact NE-OE1 3.99Å; R48-E52 WeakPolarHBondContact O-CB 3.33Å; R48-E52 WeakPolarHBondContact O-CG 3.41Å; R48-E52 PolarHBondContact O-N 3.48Å |
| 49 | N | 92.9 | Very high | 91.2 | Very high | 89 Ų | 89 | 94.6 Ų | 94.6 | 48% | 0.476 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62.6 | -38.7 | -178.9 | -68 | -3.5 | 0 | 0 | 0 | 112 | N45 H46 I47 M53 | N45-N49 WeakPolarHBondContact O-CB 3.31Å; N45-N49 PolarHBondContact O-N 2.86Å; N45-N49 PolarHBondContact O-ND2 2.78Å; N45-N49 PolarHBondContact O-OD1 3.3Å; H46-N49 PolarHBondContact O-N 3.15Å; I47-N49 PolarHBondContact O-N 3Å; N49-M53 WeakPolarHBondContact O-CB 3.34Å; N49-M53 PolarHBondContact O-N 3.37Å |
| 50 | L | 92.8 | Very high | 91.5 | Very high | 91 Ų | 91 | 91.8 Ų | 91.8 | 48% | 0.476 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -65.1 | -46.5 | 175.6 | 178.5 | 62.3 | 0 | 0 | 0 | 111.7 | H46 I47 R48 M53 M54 | H46-L50 PolarHBondContact O-N 2.9Å; I47-L50 PolarHBondContact O-N 3.48Å; R48-L50 VanDerWaalsContact C-N 3.32Å; R48-L50 PolarHBondContact O-N 2.78Å; L50-M53 HydrophobicContact CD1-CE 3.84Å; L50-M53 HydrophobicContact CD1-SD 4.44Å; L50-M53 WeakPolarHBondContact O-CB 3.49Å; L50-M53 PolarHBondContact O-N 3.39Å; L50-M54 HydrophobicContact CD1-CG 4.48Å; L50-M54 HydrophobicContact CG-SD 4.43Å; L50-M54 WeakPolarHBondContact O-CG 3.34Å; L50-M54 PolarHBondContact O-N 3.07Å |
| 51 | L | 90.8 | Very high | 91.7 | Very high | 101 Ų | 101 | 92.4 Ų | 92.4 | 53% | 0.529 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -65.5 | -41.4 | 178.2 | -68.2 | 175.5 | 0 | 0 | 0 | 111.9 | I47 R48 M53 M54 V55 | I47-L51 HydrophobicContact CG2-CD1 3.93Å; I47-L51 HydrophobicContact CG2-CG 4.4Å; I47-L51 WeakPolarHBondContact O-CG 3.21Å; I47-L51 PolarHBondContact O-N 3.48Å; R48-L51 PolarHBondContact O-N 2.87Å; L51-M53 VanDerWaalsContact C-N 3.32Å; L51-M53 PolarHBondContact O-N 3.31Å; L51-M54 PolarHBondContact O-N 3.38Å; L51-V55 WeakPolarHBondContact O-CB 3.38Å; L51-V55 VanDerWaalsContact O-CG2 3.27Å; L51-V55 WeakPolarHBondContact O-CG2 3.34Å; L51-V55 PolarHBondContact O-N 3.37Å |
| 52 | E | 93.6 | Very high | 91.8 | Very high | 109 Ų | 109 | 94.2 Ų | 94.2 | 51% | 0.509 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62.1 | -39.4 | 174.6 | -76.7 | 175 | -171.9 | 0 | 0 | 111.6 | R48 K56 | R48-E52 VanDerWaalsContact CD-OE1 3.31Å; R48-E52 WeakPolarHBondContact CD-OE1 3.49Å; R48-E52 HydrophobicContact CG-CG 4.22Å; R48-E52 WeakPolarHBondContact CG-OE1 3.33Å; R48-E52 IonicContact NE-OE1 3.99Å; R48-E52 WeakPolarHBondContact O-CB 3.33Å; R48-E52 WeakPolarHBondContact O-CG 3.41Å; R48-E52 PolarHBondContact O-N 3.48Å; E52-K56 WeakPolarHBondContact O-CB 3.4Å; E52-K56 PolarHBondContact O-N 2.88Å |
| 53 | M | 94.4 | Very high | 91.9 | Very high | 92 Ų | 92 | 96.9 Ų | 96.9 | 45% | 0.453 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62 | -52 | 173.5 | 178.8 | -131.7 | -62.1 | 0 | 0 | 111.2 | N49 L50 L51 V55 K56 E57 | N49-M53 WeakPolarHBondContact O-CB 3.34Å; N49-M53 PolarHBondContact O-N 3.37Å; L50-M53 HydrophobicContact CD1-CE 3.84Å; L50-M53 HydrophobicContact CD1-SD 4.44Å; L50-M53 WeakPolarHBondContact O-CB 3.49Å; L50-M53 PolarHBondContact O-N 3.39Å; L51-M53 VanDerWaalsContact C-N 3.32Å; L51-M53 PolarHBondContact O-N 3.31Å; M53-V55 PolarHBondContact O-N 2.77Å; M53-K56 PolarHBondContact O-N 3.28Å; M53-E57 WeakPolarHBondContact O-CG 3.07Å; M53-E57 PolarHBondContact O-N 2.87Å |
| 54 | M | 94.3 | Very high | 92 | Very high | 101 Ų | 101 | 102.1 Ų | 102.1 | 50% | 0.498 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61 | -44 | 179.8 | -68.5 | -179 | 73.4 | 0 | 0 | 112.1 | L50 L51 K56 E57 E58 | L50-M54 HydrophobicContact CD1-CG 4.48Å; L50-M54 HydrophobicContact CG-SD 4.43Å; L50-M54 WeakPolarHBondContact O-CG 3.34Å; L50-M54 PolarHBondContact O-N 3.07Å; L51-M54 PolarHBondContact O-N 3.38Å; M54-K56 VanDerWaalsContact C-N 3.34Å; M54-K56 PolarHBondContact O-N 3.29Å; M54-E57 PolarHBondContact O-N 3.22Å; M54-E58 WeakPolarHBondContact O-CG 3.31Å; M54-E58 PolarHBondContact O-N 2.9Å |
| 55 | V | 93.5 | Very high | 92 | Very high | 79 Ų | 79 | 97.1 Ų | 97.1 | 48% | 0.479 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.2 | -43.7 | 175.8 | 170.7 | 0 | 0 | 0 | 0 | 110.5 | L51 M53 E57 E58 E59 | L51-V55 WeakPolarHBondContact O-CB 3.38Å; L51-V55 VanDerWaalsContact O-CG2 3.27Å; L51-V55 WeakPolarHBondContact O-CG2 3.34Å; L51-V55 PolarHBondContact O-N 3.37Å; M53-V55 PolarHBondContact O-N 2.77Å; V55-E57 VanDerWaalsContact C-N 3.33Å; V55-E57 PolarHBondContact O-N 2.78Å; V55-E58 PolarHBondContact O-N 2.93Å; V55-E59 HydrophobicContact CG1-CG 4.28Å; V55-E59 WeakPolarHBondContact O-CB 3.5Å; V55-E59 WeakPolarHBondContact O-CG 3.43Å; V55-E59 PolarHBondContact O-N 2.95Å |
| 56 | K | 93.3 | Very high | 91.9 | Very high | 152 Ų | 152 | 99 Ų | 99 | 66% | 0.661 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -64.3 | -37.6 | 177.7 | -174.6 | 179.4 | 180 | -176.9 | 0 | 112.1 | E52 M53 M54 S60 | E52-K56 WeakPolarHBondContact O-CB 3.4Å; E52-K56 PolarHBondContact O-N 2.88Å; M53-K56 PolarHBondContact O-N 3.28Å; M54-K56 VanDerWaalsContact C-N 3.34Å; M54-K56 PolarHBondContact O-N 3.29Å; K56-S60 VanDerWaalsContact O-CB 3.24Å; K56-S60 WeakPolarHBondContact O-CB 3.38Å; K56-S60 PolarHBondContact O-N 3.4Å |
| 57 | E | 93.3 | Very high | 92 | Very high | 106 Ų | 106 | 96.4 Ų | 96.4 | 50% | 0.495 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62.4 | -48.7 | 174.5 | -75.9 | 176.4 | 176.2 | 0 | 0 | 111.1 | M53 M54 V55 S60 L61 | M53-E57 WeakPolarHBondContact O-CG 3.07Å; M53-E57 PolarHBondContact O-N 2.87Å; M54-E57 PolarHBondContact O-N 3.22Å; V55-E57 VanDerWaalsContact C-N 3.33Å; V55-E57 PolarHBondContact O-N 2.78Å; E57-S60 WeakPolarHBondContact O-CB 3.19Å; E57-S60 PolarHBondContact O-N 3.41Å; E57-S60 PolarHBondContact O-OG 3.28Å; E57-L61 PolarHBondContact O-N 2.93Å |
| 58 | E | 92.6 | Very high | 92 | Very high | 125 Ų | 125 | 95.1 Ų | 95.1 | 58% | 0.584 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -66.9 | -39.3 | 177.8 | -66.3 | -57.5 | 144.3 | 0 | 0 | 112.9 | M54 V55 S60 L61 K62 | M54-E58 WeakPolarHBondContact O-CG 3.31Å; M54-E58 PolarHBondContact O-N 2.9Å; V55-E58 PolarHBondContact O-N 2.93Å; E58-S60 VanDerWaalsContact C-N 3.3Å; E58-S60 PolarHBondContact O-N 3.17Å; E58-L61 PolarHBondContact O-N 3.11Å; E58-K62 PolarHBondContact O-N 2.89Å |
| 59 | E | 91.6 | Very high | 91.9 | Very high | 108 Ų | 108 | 89.9 Ų | 89.9 | 51% | 0.505 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -63 | -38.3 | 171.7 | -77.1 | -177 | 179.6 | 0 | 0 | 111.6 | V55 K63 | V55-E59 HydrophobicContact CG1-CG 4.28Å; V55-E59 WeakPolarHBondContact O-CB 3.5Å; V55-E59 WeakPolarHBondContact O-CG 3.43Å; V55-E59 PolarHBondContact O-N 2.95Å; E59-K63 WeakPolarHBondContact O-CG 3.49Å; E59-K63 PolarHBondContact O-N 3.35Å |
| 60 | S | 92.4 | Very high | 91.8 | Very high | 50 Ų | 50 | 92 Ų | 92 | 35% | 0.35 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -66.7 | -39.2 | 175 | 84.7 | 0 | 0 | 0 | 0 | 111.5 | K56 E57 E58 K63 R64 | K56-S60 VanDerWaalsContact O-CB 3.24Å; K56-S60 WeakPolarHBondContact O-CB 3.38Å; K56-S60 PolarHBondContact O-N 3.4Å; E57-S60 WeakPolarHBondContact O-CB 3.19Å; E57-S60 PolarHBondContact O-N 3.41Å; E57-S60 PolarHBondContact O-OG 3.28Å; E58-S60 VanDerWaalsContact C-N 3.3Å; E58-S60 PolarHBondContact O-N 3.17Å; S60-K63 PolarHBondContact O-N 3.45Å; S60-R64 WeakPolarHBondContact O-CB 3.49Å; S60-R64 PolarHBondContact O-N 2.85Å |
| 61 | L | 90.8 | Very high | 91.7 | Very high | 66 Ų | 66 | 91.7 Ų | 91.7 | 35% | 0.346 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.8 | -49.2 | 175.2 | 178.5 | 61.6 | 0 | 0 | 0 | 110.2 | E57 E58 K63 R64 L65 | E57-L61 PolarHBondContact O-N 2.93Å; E58-L61 PolarHBondContact O-N 3.11Å; L61-K63 VanDerWaalsContact C-N 3.34Å; L61-K63 PolarHBondContact O-N 2.82Å; L61-R64 WeakPolarHBondContact O-CB 3.38Å; L61-R64 PolarHBondContact O-N 2.9Å; L61-R64 VanDerWaalsContact O-N 3.1Å; L61-L65 HydrophobicContact CD1-CG 4.42Å; L61-L65 HydrophobicContact CG-CD1 4.31Å; L61-L65 WeakPolarHBondContact O-CG 3.46Å; L61-L65 PolarHBondContact O-N 3.35Å |
| 62 | K | 89.6 | Confident | 91.6 | Very high | 114 Ų | 114 | 87.6 Ų | 87.6 | 50% | 0.496 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -56.7 | -45 | 175.8 | -178.9 | 179 | 176 | -178.9 | 0 | 112.3 | E58 R64 L65 L66 M96 | E58-K62 PolarHBondContact O-N 2.89Å; K62-R64 VanDerWaalsContact C-N 3.34Å; K62-L65 PolarHBondContact O-N 2.8Å; K62-L66 HydrophobicContact CG-CD1 4.38Å; K62-L66 WeakPolarHBondContact O-CG 3.41Å; K62-L66 PolarHBondContact O-N 3.28Å; K62-M96 HydrophobicContact CD-CE 4.29Å; K62-M96 HydrophobicContact CG-CE 4.12Å |
| 63 | K | 91.4 | Very high | 91.4 | Very high | 135 Ų | 135 | 86.2 Ų | 86.2 | 59% | 0.587 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -61.4 | -43 | 175.9 | -75.2 | 173.7 | -176.7 | 172.5 | 0 | 111.5 | E59 S60 L61 L66 S67 | E59-K63 WeakPolarHBondContact O-CG 3.49Å; E59-K63 PolarHBondContact O-N 3.35Å; S60-K63 PolarHBondContact O-N 3.45Å; L61-K63 VanDerWaalsContact C-N 3.34Å; L61-K63 PolarHBondContact O-N 2.82Å; K63-L66 PolarHBondContact O-N 2.92Å; K63-S67 PolarHBondContact O-N 2.7Å; K63-S67 PolarHBondContact O-OG 3.39Å |
| 64 | R | 90.9 | Very high | 91.2 | Very high | 160 Ų | 160 | 85.5 Ų | 85.5 | 60% | 0.604 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -62 | -44.1 | 178.1 | -149.4 | -173.1 | -50.4 | 154.3 | 6.7 | 111.8 | S60 L61 K62 S67 S68 | S60-R64 WeakPolarHBondContact O-CB 3.49Å; S60-R64 PolarHBondContact O-N 2.85Å; L61-R64 WeakPolarHBondContact O-CB 3.38Å; L61-R64 PolarHBondContact O-N 2.9Å; L61-R64 VanDerWaalsContact O-N 3.1Å; K62-R64 VanDerWaalsContact C-N 3.34Å; R64-S67 PolarHBondContact O-N 3.31Å; R64-S68 VanDerWaalsContact O-CB 3.31Å; R64-S68 WeakPolarHBondContact O-CB 3.33Å; R64-S68 PolarHBondContact O-N 3.45Å |
| 65 | L | 90.2 | Very high | 91 | Very high | 22 Ų | 22 | 84.3 Ų | 84.3 | 12% | 0.115 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -60.7 | -46.1 | 175.3 | -68.2 | 174 | 0 | 0 | 0 | 111.6 | L61 K62 S67 S68 I69 L97 E100 | L61-L65 HydrophobicContact CD1-CG 4.42Å; L61-L65 HydrophobicContact CG-CD1 4.31Å; L61-L65 WeakPolarHBondContact O-CG 3.46Å; L61-L65 PolarHBondContact O-N 3.35Å; K62-L65 PolarHBondContact O-N 2.8Å; L65-S67 PolarHBondContact O-N 3.46Å; L65-S68 WeakPolarHBondContact O-CB 3.36Å; L65-S68 PolarHBondContact O-N 2.94Å; L65-I69 WeakPolarHBondContact O-CB 3.39Å; L65-I69 VanDerWaalsContact O-CG1 3.27Å; L65-I69 WeakPolarHBondContact O-CG1 3.35Å; L65-I69 PolarHBondContact O-N 3.12Å; L65-L97 HydrophobicContact CD1-CD1 4.44Å; L65-L97 HydrophobicContact CD2-CD1 3.94Å; L65-E100 WeakPolarHBondContact CD2-OE2 3.4Å |
| 66 | L | 89.8 | Confident | 90.7 | Very high | 84 Ų | 84 | 80.8 Ų | 80.8 | 44% | 0.44 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -62.4 | -43.1 | 177.6 | -72.8 | 171.6 | 0 | 0 | 0 | 112.3 | K62 K63 Q70 M96 | K62-L66 HydrophobicContact CG-CD1 4.38Å; K62-L66 WeakPolarHBondContact O-CG 3.41Å; K62-L66 PolarHBondContact O-N 3.28Å; K63-L66 PolarHBondContact O-N 2.92Å; L66-Q70 WeakPolarHBondContact O-CB 3.23Å; L66-Q70 PolarHBondContact O-N 3.42Å; L66-M96 HydrophobicContact CD2-SD 4.1Å; L66-M96 HydrophobicContact CG-SD 4.5Å |
| 67 | S | 91.7 | Very high | 90.5 | Very high | 73 Ų | 73 | 78.4 Ų | 78.4 | 51% | 0.51 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -65.1 | -40.2 | 175.7 | -63.3 | 0 | 0 | 0 | 0 | 112.4 | K63 R64 L65 Q70 T71 | K63-S67 PolarHBondContact O-N 2.7Å; K63-S67 PolarHBondContact O-OG 3.39Å; R64-S67 PolarHBondContact O-N 3.31Å; L65-S67 PolarHBondContact O-N 3.46Å; S67-Q70 PolarHBondContact O-N 2.8Å; S67-T71 WeakPolarHBondContact O-CB 3.14Å; S67-T71 PolarHBondContact O-N 3.37Å; S67-T71 PolarHBondContact O-OG1 3.27Å |
| 68 | S | 91.6 | Very high | 90.3 | Very high | 28 Ų | 28 | 79.5 Ų | 79.5 | 20% | 0.196 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -61.1 | -53.5 | 175.1 | -177.9 | 0 | 0 | 0 | 0 | 111.3 | R64 L65 Q70 T71 C72 E100 | R64-S68 VanDerWaalsContact O-CB 3.31Å; R64-S68 WeakPolarHBondContact O-CB 3.33Å; R64-S68 PolarHBondContact O-N 3.45Å; L65-S68 WeakPolarHBondContact O-CB 3.36Å; L65-S68 PolarHBondContact O-N 2.94Å; S68-Q70 VanDerWaalsContact C-N 3.29Å; S68-Q70 PolarHBondContact O-N 2.91Å; S68-T71 PolarHBondContact O-N 2.98Å; S68-T71 VanDerWaalsContact O-N 3.08Å; S68-C72 PolarHBondContact O-N 2.81Å; S68-C72 PolarHBondContact O-SG 2.63Å; S68-E100 WeakPolarHBondContact CB-OE1 3Å; S68-E100 PolarHBondContact OG-OE1 3.08Å |
| 69 | I | 89.4 | Confident | 90.2 | Very high | 3 Ų | 3 | 74.1 Ų | 74.1 | 2% | 0.015 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -53.6 | -46.9 | 175.6 | -70 | 165.7 | 0 | 0 | 0 | 110.9 | L65 T71 C72 R73 E100 I103 | L65-I69 WeakPolarHBondContact O-CB 3.39Å; L65-I69 VanDerWaalsContact O-CG1 3.27Å; L65-I69 WeakPolarHBondContact O-CG1 3.35Å; L65-I69 PolarHBondContact O-N 3.12Å; I69-T71 VanDerWaalsContact C-N 3.35Å; I69-T71 PolarHBondContact O-N 3.06Å; I69-C72 PolarHBondContact O-N 3.45Å; I69-R73 HydrophobicContact CG2-CG 4.39Å; I69-R73 WeakPolarHBondContact O-CB 3.37Å; I69-R73 VanDerWaalsContact O-CG 3.26Å; I69-R73 WeakPolarHBondContact O-CG 3.28Å; I69-R73 PolarHBondContact O-N 3.31Å; I69-E100 HydrophobicContact CD1-CB 4.19Å; I69-E100 HydrophobicContact CG1-CB 3.72Å; I69-E100 HydrophobicContact CG1-CG 4.18Å; I69-I103 HydrophobicContact CG2-CD1 3.92Å |
| 70 | Q | 90.3 | Very high | 90 | Very high | 133 Ų | 133 | 69.2 Ų | 69.2 | 62% | 0.621 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -65.2 | -38.9 | -179.5 | -174.1 | 146.4 | 12.9 | 0 | 0 | 112.5 | L66 S67 S68 R73 T74 | L66-Q70 WeakPolarHBondContact O-CB 3.23Å; L66-Q70 PolarHBondContact O-N 3.42Å; S67-Q70 PolarHBondContact O-N 2.8Å; S68-Q70 VanDerWaalsContact C-N 3.29Å; S68-Q70 PolarHBondContact O-N 2.91Å; Q70-R73 PolarHBondContact O-N 3.16Å; Q70-T74 WeakPolarHBondContact O-CG2 3.37Å; Q70-T74 PolarHBondContact O-N 3.09Å; Q70-T74 VanDerWaalsContact O-N 3.1Å; Q70-T74 PolarHBondContact O-OG1 2.85Å |
| 71 | T | 91.1 | Very high | 89.8 | Confident | 84 Ų | 84 | 73.6 Ų | 73.6 | 52% | 0.515 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -66.1 | -49.3 | 177.2 | -52.9 | 0 | 0 | 0 | 0 | 110.3 | S67 S68 I69 R73 T74 E75 | S67-T71 WeakPolarHBondContact O-CB 3.14Å; S67-T71 PolarHBondContact O-N 3.37Å; S67-T71 PolarHBondContact O-OG1 3.27Å; S68-T71 PolarHBondContact O-N 2.98Å; S68-T71 VanDerWaalsContact O-N 3.08Å; I69-T71 VanDerWaalsContact C-N 3.35Å; I69-T71 PolarHBondContact O-N 3.06Å; T71-R73 VanDerWaalsContact C-N 3.32Å; T71-R73 PolarHBondContact O-N 3.23Å; T71-T74 PolarHBondContact O-N 2.94Å; T71-T74 PolarHBondContact O-OG1 2.88Å; T71-E75 PolarHBondContact O-N 3.19Å |
| 72 | C | 88.8 | Confident | 89.6 | Confident | 15 Ų | 15 | 73.1 Ų | 73.1 | 10% | 0.101 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61.7 | -37.3 | 177.5 | -61.9 | 0 | 0 | 0 | 0 | 112.1 | S68 I69 E75 M76 I103 V107 | S68-C72 PolarHBondContact O-N 2.81Å; S68-C72 PolarHBondContact O-SG 2.63Å; I69-C72 PolarHBondContact O-N 3.45Å; C72-E75 PolarHBondContact O-N 3.45Å; C72-M76 VanDerWaalsContact O-CB 3.26Å; C72-M76 WeakPolarHBondContact O-CB 3.45Å; C72-M76 PolarHBondContact O-N 2.94Å; C72-I103 HydrophobicContact CB-CB 4.5Å; C72-I103 HydrophobicContact CB-CG2 3.55Å; C72-V107 HydrophobicContact CB-CG2 4.46Å; C72-V107 WeakPolarHBondContact O-CG2 3.2Å |
| 73 | R | 88.3 | Confident | 89.6 | Confident | 80 Ų | 80 | 67.9 Ų | 67.9 | 30% | 0.302 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.4 | -47.6 | 173.1 | -78.2 | 175.4 | 174.3 | 161.1 | -4.9 | 112.5 | I69 Q70 T71 E75 M76 E77 E90 I103 | I69-R73 HydrophobicContact CG2-CG 4.39Å; I69-R73 WeakPolarHBondContact O-CB 3.37Å; I69-R73 VanDerWaalsContact O-CG 3.26Å; I69-R73 WeakPolarHBondContact O-CG 3.28Å; I69-R73 PolarHBondContact O-N 3.31Å; Q70-R73 PolarHBondContact O-N 3.16Å; T71-R73 VanDerWaalsContact C-N 3.32Å; T71-R73 PolarHBondContact O-N 3.23Å; R73-E75 VanDerWaalsContact C-N 3.28Å; R73-E75 PolarHBondContact O-N 3.08Å; R73-M76 WeakPolarHBondContact O-CB 3.46Å; R73-M76 PolarHBondContact O-N 2.85Å; R73-E77 WeakPolarHBondContact O-CG 3.5Å; R73-E77 PolarHBondContact O-N 2.91Å; R73-E90 IonicContact CZ-OE1 2.86Å; R73-E90 IonicContact CZ-OE2 2.71Å; R73-E90 IonicContact NE-OE1 3.84Å; R73-E90 PolarHBondContact NE-OE1 3.13Å; R73-E90 IonicContact NH2-OE1 2.71Å; R73-E90 PolarHBondContact NH2-OE1 3.1Å; R73-E90 IonicContact NH2-OE2 3.19Å; R73-E90 PolarHBondContact NH2-OE2 2.97Å; R73-I103 HydrophobicContact CG-CD1 3.98Å; R73-I103 HydrophobicContact CG-CG2 4.5Å |
| 74 | T | 89.7 | Confident | 89.3 | Confident | 78 Ų | 78 | 68 Ų | 68 | 48% | 0.479 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64.4 | -35.9 | 178.9 | 55.4 | 0 | 0 | 0 | 0 | 112.3 | Q70 T71 K78 | Q70-T74 WeakPolarHBondContact O-CG2 3.37Å; Q70-T74 PolarHBondContact O-N 3.09Å; Q70-T74 VanDerWaalsContact O-N 3.1Å; Q70-T74 PolarHBondContact O-OG1 2.85Å; T71-T74 PolarHBondContact O-N 2.94Å; T71-T74 PolarHBondContact O-OG1 2.88Å; T74-K78 WeakPolarHBondContact O-CB 3.38Å; T74-K78 PolarHBondContact O-N 3.45Å; T74-K78 VanDerWaalsContact O-N 3.15Å |
| 75 | E | 90.3 | Very high | 89 | Confident | 75 Ų | 75 | 63 Ų | 63 | 35% | 0.35 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -68.2 | -43.1 | 174.6 | -176 | 169 | -156.8 | 0 | 0 | 111.5 | T71 C72 R73 K78 L79 V107 M111 | T71-E75 PolarHBondContact O-N 3.19Å; C72-E75 PolarHBondContact O-N 3.45Å; R73-E75 VanDerWaalsContact C-N 3.28Å; R73-E75 PolarHBondContact O-N 3.08Å; E75-K78 WeakPolarHBondContact O-CB 3.38Å; E75-K78 PolarHBondContact O-N 2.95Å; E75-L79 HydrophobicContact CG-CD1 4.09Å; E75-L79 VanDerWaalsContact O-CG 3.32Å; E75-L79 WeakPolarHBondContact O-CG 3.5Å; E75-L79 PolarHBondContact O-N 2.88Å; E75-V107 HydrophobicContact CG-CG1 4.05Å; E75-M111 WeakPolarHBondContact OE1-CE 3.28Å |
| 76 | M | 88.3 | Confident | 88.6 | Confident | 6 Ų | 6 | 67.4 Ų | 67.4 | 3% | 0.03 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60 | -48.5 | 175.6 | -168.1 | 173.1 | 67.7 | 0 | 0 | 111.8 | C72 R73 K78 L79 C80 F88 I103 E106 V107 L110 | C72-M76 VanDerWaalsContact O-CB 3.26Å; C72-M76 WeakPolarHBondContact O-CB 3.45Å; C72-M76 PolarHBondContact O-N 2.94Å; R73-M76 WeakPolarHBondContact O-CB 3.46Å; R73-M76 PolarHBondContact O-N 2.85Å; M76-K78 VanDerWaalsContact C-N 3.31Å; M76-K78 PolarHBondContact O-N 3.45Å; M76-L79 PolarHBondContact O-N 3.33Å; M76-L79 VanDerWaalsContact O-N 3.17Å; M76-C80 WeakPolarHBondContact O-CB 3.3Å; M76-C80 PolarHBondContact O-N 2.92Å; M76-C80 PolarHBondContact O-SG 2.9Å; M76-C80 VanDerWaalsContact O-SG 3.34Å; M76-F88 HydrophobicContact CE-CB 3.9Å; M76-F88 HydrophobicContact CE-CD1 4.38Å; M76-F88 HydrophobicContact SD-CB 3.77Å; M76-F88 HydrophobicContact SD-CD1 4.45Å; M76-F88 HydrophobicContact SD-CG 4.34Å; M76-I103 HydrophobicContact CE-CG2 4.49Å; M76-I103 HydrophobicContact SD-CG2 4.19Å; M76-E106 HydrophobicContact SD-CB 4.31Å; M76-E106 HydrophobicContact SD-CG 4.1Å; M76-V107 HydrophobicContact CB-CG2 3.63Å; M76-V107 HydrophobicContact CG-CG2 4.14Å; M76-L110 HydrophobicContact CG-CD1 3.89Å |
| 77 | E | 87.9 | Confident | 88 | Confident | 102 Ų | 102 | 67.4 Ų | 67.4 | 48% | 0.477 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -58.3 | -43.5 | 176.8 | -74.7 | 172.7 | -170.8 | 0 | 0 | 111.5 | R73 C80 L81 | R73-E77 WeakPolarHBondContact O-CG 3.5Å; R73-E77 PolarHBondContact O-N 2.91Å; E77-C80 PolarHBondContact O-N 3.4Å; E77-L81 VanDerWaalsContact O-CG 3.31Å; E77-L81 WeakPolarHBondContact O-CG 3.42Å; E77-L81 PolarHBondContact O-N 3.24Å |
| 78 | K | 89.9 | Confident | 87.2 | Confident | 129 Ų | 129 | 67.4 Ų | 67.4 | 56% | 0.561 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -61.4 | -46.3 | 175.3 | -178.5 | -177.1 | 170.4 | -172.9 | 0 | 111.5 | T74 E75 M76 L81 E82 | T74-K78 WeakPolarHBondContact O-CB 3.38Å; T74-K78 PolarHBondContact O-N 3.45Å; T74-K78 VanDerWaalsContact O-N 3.15Å; E75-K78 WeakPolarHBondContact O-CB 3.38Å; E75-K78 PolarHBondContact O-N 2.95Å; M76-K78 VanDerWaalsContact C-N 3.31Å; M76-K78 PolarHBondContact O-N 3.45Å; K78-L81 PolarHBondContact O-N 2.9Å; K78-E82 WeakPolarHBondContact CE-OE1 3.48Å; K78-E82 IonicContact NZ-OE1 3.76Å; K78-E82 WeakPolarHBondContact O-CG 3.31Å; K78-E82 PolarHBondContact O-N 3.32Å |
| 79 | L | 89.8 | Confident | 86.3 | Confident | 11 Ų | 11 | 74.4 Ų | 74.4 | 6% | 0.058 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -65.4 | -40.2 | 178.8 | -71.6 | 170 | 0 | 0 | 0 | 112.1 | E75 M76 E82 L83 V107 L110 M111 | E75-L79 HydrophobicContact CG-CD1 4.09Å; E75-L79 VanDerWaalsContact O-CG 3.32Å; E75-L79 WeakPolarHBondContact O-CG 3.5Å; E75-L79 PolarHBondContact O-N 2.88Å; M76-L79 PolarHBondContact O-N 3.33Å; M76-L79 VanDerWaalsContact O-N 3.17Å; L79-E82 PolarHBondContact O-N 3.34Å; L79-L83 VanDerWaalsContact O-CB 3.29Å; L79-L83 WeakPolarHBondContact O-CB 3.46Å; L79-L83 WeakPolarHBondContact O-CG 3.41Å; L79-L83 PolarHBondContact O-N 2.73Å; L79-V107 HydrophobicContact CD1-CG1 4.14Å; L79-L110 HydrophobicContact CB-CB 4.09Å; L79-L110 HydrophobicContact CB-CD1 4.21Å; L79-L110 HydrophobicContact CD1-CB 4.03Å; L79-M111 HydrophobicContact CD1-CG 3.67Å; L79-M111 HydrophobicContact CD2-CG 4.36Å |
| 80 | C | 88 | Confident | 85.5 | Confident | 5 Ų | 5 | 77.4 Ų | 77.4 | 3% | 0.034 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -60.6 | -43.4 | 173.9 | -75.5 | 0 | 0 | 0 | 0 | 111.7 | M76 E77 Q84 I85 V87 | M76-C80 WeakPolarHBondContact O-CB 3.3Å; M76-C80 PolarHBondContact O-N 2.92Å; M76-C80 PolarHBondContact O-SG 2.9Å; M76-C80 VanDerWaalsContact O-SG 3.34Å; E77-C80 PolarHBondContact O-N 3.4Å; C80-Q84 WeakPolarHBondContact O-CA 3.46Å; C80-Q84 PolarHBondContact O-N 2.9Å; C80-I85 WeakPolarHBondContact CB-O 3.35Å; C80-I85 PolarHBondContact O-N 3.26Å; C80-V87 HydrophobicContact CB-CG2 4.46Å |
| 81 | L | 87.9 | Confident | 84.8 | Confident | 142 Ų | 142 | 77.7 Ų | 77.7 | 74% | 0.743 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -65.1 | -44.2 | 175.6 | -72.1 | 171.9 | 0 | 0 | 0 | 112.1 | E77 K78 Q84 | E77-L81 VanDerWaalsContact O-CG 3.31Å; E77-L81 WeakPolarHBondContact O-CG 3.42Å; E77-L81 PolarHBondContact O-N 3.24Å; K78-L81 PolarHBondContact O-N 2.9Å; L81-Q84 PolarHBondContact O-N 3.42Å |
| 82 | E | 87.8 | Confident | 83.7 | Confident | 56 Ų | 56 | 81.8 Ų | 81.8 | 26% | 0.262 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -62.9 | -42.1 | 176.7 | -75.5 | -178.3 | -163.9 | 0 | 0 | 112.1 | K78 L79 R114 V147 | K78-E82 WeakPolarHBondContact CE-OE1 3.48Å; K78-E82 IonicContact NZ-OE1 3.76Å; K78-E82 WeakPolarHBondContact O-CG 3.31Å; K78-E82 PolarHBondContact O-N 3.32Å; L79-E82 PolarHBondContact O-N 3.34Å; E82-R114 IonicContact OE2-CZ 2.88Å; E82-R114 IonicContact OE2-NE 3.95Å; E82-R114 PolarHBondContact OE2-NE 3.18Å; E82-R114 IonicContact OE2-NH2 3.75Å; E82-V147 HydrophobicContact CB-CG2 4.45Å |
| 83 | L | 87.9 | Confident | 82.8 | Confident | 4 Ų | 4 | 85.2 Ų | 85.2 | 2% | 0.021 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -84.7 | -10.2 | -177.8 | -70.2 | 167.3 | 0 | 0 | 0 | 114.1 | L79 I85 L110 E113 R114 R117 V147 | L79-L83 VanDerWaalsContact O-CB 3.29Å; L79-L83 WeakPolarHBondContact O-CB 3.46Å; L79-L83 WeakPolarHBondContact O-CG 3.41Å; L79-L83 PolarHBondContact O-N 2.73Å; L83-I85 VanDerWaalsContact C-N 3.31Å; L83-I85 HydrophobicContact CB-CB 4.47Å; L83-I85 HydrophobicContact CB-CD1 3.67Å; L83-I85 HydrophobicContact CB-CG1 3.79Å; L83-I85 HydrophobicContact CD1-CD1 4.05Å; L83-I85 HydrophobicContact CG-CD1 4.41Å; L83-L110 HydrophobicContact CD1-CB 4.09Å; L83-L110 HydrophobicContact CD1-CD2 3.84Å; L83-E113 HydrophobicContact CD1-CG 4.41Å; L83-E113 HydrophobicContact CD2-CG 4.2Å; L83-R114 HydrophobicContact CD1-CB 4.47Å; L83-R114 HydrophobicContact CD2-CB 4.21Å; L83-R117 PolarHBondContact O-NH1 3.29Å; L83-V147 HydrophobicContact CD2-CG1 3.77Å |
| 84 | Q | 85.8 | Confident | 82.5 | Confident | 138 Ų | 138 | 83.8 Ų | 83.8 | 65% | 0.645 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.4 | 39.7 | -173.1 | -54.8 | 169.8 | 22.7 | 0 | 0 | 112.5 | C80 L81 | C80-Q84 WeakPolarHBondContact O-CA 3.46Å; C80-Q84 PolarHBondContact O-N 2.9Å; L81-Q84 PolarHBondContact O-N 3.42Å |
| 85 | I | 85.4 | Confident | 82.4 | Confident | 56 Ų | 56 | 83.7 Ų | 83.7 | 29% | 0.287 | 45% | 0.448 | S | S | . | . | trans | -105.1 | 142 | -179.9 | -62.1 | 174.7 | 0 | 0 | 0 | 108.9 | C80 L83 L110 | C80-I85 WeakPolarHBondContact CB-O 3.35Å; C80-I85 PolarHBondContact O-N 3.26Å; L83-I85 VanDerWaalsContact C-N 3.31Å; L83-I85 HydrophobicContact CB-CB 4.47Å; L83-I85 HydrophobicContact CB-CD1 3.67Å; L83-I85 HydrophobicContact CB-CG1 3.79Å; L83-I85 HydrophobicContact CD1-CD1 4.05Å; L83-I85 HydrophobicContact CG-CD1 4.41Å; I85-L110 HydrophobicContact CD1-CD2 4Å | ||
| 86 | P | 81.8 | Confident | 82.1 | Confident | 113 Ų | 113 | 83.7 Ų | 83.7 | 73% | 0.734 | 45% | 0.449 | S | S | * | . | P | Polyproline II helix | trans | -55.9 | 146 | 173.8 | 22.4 | -33.8 | 0 | 0 | 0 | 112.1 | ||
| 87 | V | 75.6 | Confident | 82.1 | Confident | 85 Ų | 85 | 88.7 Ų | 88.7 | 52% | 0.515 | 48% | 0.475 | S | S | . | . | P | Polyproline II helix | trans | -66.4 | 136.6 | 179.1 | -177.7 | 0 | 0 | 0 | 0 | 109.6 | C80 E89 | C80-V87 HydrophobicContact CB-CG2 4.46Å; V87-E89 PolarHBondContact O-N 2.99Å |
| 88 | F | 75.8 | Confident | 82 | Confident | 72 Ų | 72 | 87.6 Ų | 87.6 | 32% | 0.316 | 47% | 0.47 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 128.2 | 176.9 | 177.9 | -95.5 | 0 | 0 | 0 | 111.6 | M76 E90 E106 | M76-F88 HydrophobicContact CE-CB 3.9Å; M76-F88 HydrophobicContact CE-CD1 4.38Å; M76-F88 HydrophobicContact SD-CB 3.77Å; M76-F88 HydrophobicContact SD-CD1 4.45Å; M76-F88 HydrophobicContact SD-CG 4.34Å; F88-E90 HydrophobicContact CD1-CG 4.33Å; F88-E90 HydrophobicContact CE1-CG 4.35Å; F88-E106 HydrophobicContact CB-CG 4.31Å; F88-E106 HydrophobicContact CD2-CG 3.97Å; F88-E106 HydrophobicContact CG-CG 4.22Å |
| 89 | E | 73.6 | Confident | 81.9 | Confident | 176 Ų | 176 | 83.2 Ų | 83.2 | 82% | 0.822 | 45% | 0.451 | S | S | * | . | P | Polyproline II helix | trans | -86.1 | 122.9 | 174.5 | -66.8 | -173.8 | 170.3 | 0 | 0 | 110.1 | V87 | V87-E89 PolarHBondContact O-N 2.99Š|
| 90 | E | 72.1 | Confident | 81.7 | Confident | 65 Ų | 65 | 84 Ų | 84 | 30% | 0.304 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -77.6 | 138.2 | 178.6 | -61.9 | -176.9 | -175.2 | 0 | 0 | 111.6 | R73 F88 D92 Q99 | R73-E90 IonicContact CZ-OE1 2.86Å; R73-E90 IonicContact CZ-OE2 2.71Å; R73-E90 IonicContact NE-OE1 3.84Å; R73-E90 PolarHBondContact NE-OE1 3.13Å; R73-E90 IonicContact NH2-OE1 2.71Å; R73-E90 PolarHBondContact NH2-OE1 3.1Å; R73-E90 IonicContact NH2-OE2 3.19Å; R73-E90 PolarHBondContact NH2-OE2 2.97Å; F88-E90 HydrophobicContact CD1-CG 4.33Å; F88-E90 HydrophobicContact CE1-CG 4.35Å; E90-D92 PolarHBondContact O-N 3.33Å; E90-Q99 PolarHBondContact OE2-NE2 3.41Å |
| 91 | E | 75.3 | Confident | 81.8 | Confident | 139 Ų | 139 | 89.7 Ų | 89.7 | 65% | 0.65 | 48% | 0.479 | S | S | * | . | P | Polyproline II helix | trans | -71.4 | 123.5 | 171.7 | -73.8 | -176.4 | 166.1 | 0 | 0 | 111.4 | I94 | E91-I94 HydrophobicContact CB-CG2 4.18Å; E91-I94 WeakPolarHBondContact O-CG1 3.37Å |
| 92 | D | 67.2 | Low | 81.8 | Confident | 171 Ų | 171 | 85.2 Ų | 85.2 | 91% | 0.914 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | 133 | 176.2 | -77.9 | -37.5 | 0 | 0 | 0 | 111.9 | E90 | E90-D92 PolarHBondContact O-N 3.33Š|
| 93 | G | 70.7 | Confident | 81.7 | Confident | 87 Ų | 87 | 82.6 Ų | 82.6 | 90% | 0.897 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.9 | 6.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 94 | I | 82.3 | Confident | 81.8 | Confident | 50 Ų | 50 | 85.6 Ų | 85.6 | 26% | 0.256 | 46% | 0.457 | S | S | . | . | trans | -79.3 | 156 | 174.4 | 63.5 | 178.1 | 0 | 0 | 0 | 113 | E91 Q99 | E91-I94 HydrophobicContact CB-CG2 4.18Å; E91-I94 WeakPolarHBondContact O-CG1 3.37Å; I94-Q99 HydrophobicContact CD1-CB 3.87Å; I94-Q99 HydrophobicContact CD1-CG 4.3Å; I94-Q99 HydrophobicContact CG1-CB 4.12Å | ||
| 95 | S | 87.2 | Confident | 81.9 | Confident | 75 Ų | 75 | 82.7 Ų | 82.7 | 52% | 0.524 | 45% | 0.449 | S | S | . | . | trans | -69.6 | 149.4 | 177 | 75.7 | 0 | 0 | 0 | 0 | 112 | L97 Q98 Q99 | S95-L97 PolarHBondContact O-N 3.47Å; S95-L97 VanDerWaalsContact O-N 3.16Å; S95-Q98 PolarHBondContact O-N 3.06Å; S95-Q98 WeakPolarHBondContact OG-CB 3.4Å; S95-Q98 PolarHBondContact OG-N 3.15Å; S95-Q99 PolarHBondContact O-N 3.37Å | ||
| 96 | M | 84.8 | Confident | 82.1 | Confident | 75 Ų | 75 | 83.2 Ų | 83.2 | 37% | 0.369 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -53.4 | -37.7 | 178.9 | -72.8 | -175.7 | -72.5 | 0 | 0 | 113.2 | K62 L66 Q99 E100 | K62-M96 HydrophobicContact CD-CE 4.29Å; K62-M96 HydrophobicContact CG-CE 4.12Å; L66-M96 HydrophobicContact CD2-SD 4.1Å; L66-M96 HydrophobicContact CG-SD 4.5Å; M96-Q99 PolarHBondContact O-N 3.32Å; M96-E100 PolarHBondContact O-N 2.98Å |
| 97 | L | 86.9 | Confident | 82.5 | Confident | 112 Ų | 112 | 78 Ų | 78 | 59% | 0.586 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -68.7 | -37.4 | 178.3 | -168.2 | 71.9 | 0 | 0 | 0 | 112 | L65 S95 K101 | L65-L97 HydrophobicContact CD1-CD1 4.44Å; L65-L97 HydrophobicContact CD2-CD1 3.94Å; S95-L97 PolarHBondContact O-N 3.47Å; S95-L97 VanDerWaalsContact O-N 3.16Å; L97-K101 PolarHBondContact O-N 3.39Å |
| 98 | Q | 86.9 | Confident | 83.3 | Confident | 79 Ų | 79 | 79.8 Ų | 79.8 | 37% | 0.369 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -72 | -37.9 | 176.4 | -171.8 | 60.6 | 50.9 | 0 | 0 | 111.4 | S95 K101 N102 | S95-Q98 PolarHBondContact O-N 3.06Å; S95-Q98 WeakPolarHBondContact OG-CB 3.4Å; S95-Q98 PolarHBondContact OG-N 3.15Å; Q98-K101 PolarHBondContact O-N 3.08Å; Q98-N102 PolarHBondContact NE2-OD1 3.49Å; Q98-N102 VanDerWaalsContact O-CG 3.24Å; Q98-N102 PolarHBondContact O-N 2.96Å; Q98-N102 PolarHBondContact O-OD1 3.41Å |
| 99 | Q | 86.3 | Confident | 84 | Confident | 36 Ų | 36 | 78.5 Ų | 78.5 | 17% | 0.168 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -61 | -47.5 | 175.3 | -173.9 | 174.8 | 30.1 | 0 | 0 | 111.7 | E90 I94 S95 M96 K101 N102 I103 | E90-Q99 PolarHBondContact OE2-NE2 3.41Å; I94-Q99 HydrophobicContact CD1-CB 3.87Å; I94-Q99 HydrophobicContact CD1-CG 4.3Å; I94-Q99 HydrophobicContact CG1-CB 4.12Å; S95-Q99 PolarHBondContact O-N 3.37Å; M96-Q99 PolarHBondContact O-N 3.32Å; Q99-K101 VanDerWaalsContact C-N 3.34Å; Q99-K101 PolarHBondContact O-N 2.89Å; Q99-N102 PolarHBondContact O-N 2.86Å; Q99-I103 HydrophobicContact CG-CD1 3.91Å; Q99-I103 VanDerWaalsContact O-CG1 3.29Å; Q99-I103 WeakPolarHBondContact O-CG1 3.3Å; Q99-I103 PolarHBondContact O-N 3.25Å |
| 100 | E | 87.1 | Confident | 84.9 | Confident | 29 Ų | 29 | 70.5 Ų | 70.5 | 14% | 0.136 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -56.4 | -49 | 174 | -175.3 | -170.6 | -149 | 0 | 0 | 111.3 | L65 S68 I69 M96 N102 I103 Q104 | L65-E100 WeakPolarHBondContact CD2-OE2 3.4Å; S68-E100 WeakPolarHBondContact CB-OE1 3Å; S68-E100 PolarHBondContact OG-OE1 3.08Å; I69-E100 HydrophobicContact CD1-CB 4.19Å; I69-E100 HydrophobicContact CG1-CB 3.72Å; I69-E100 HydrophobicContact CG1-CG 4.18Å; M96-E100 PolarHBondContact O-N 2.98Å; E100-N102 VanDerWaalsContact C-N 3.35Å; E100-N102 PolarHBondContact O-N 2.99Å; E100-I103 PolarHBondContact O-N 2.92Å; E100-Q104 HydrophobicContact CG-CG 4.39Å; E100-Q104 WeakPolarHBondContact O-CB 3.26Å; E100-Q104 WeakPolarHBondContact O-CG 3.43Å; E100-Q104 PolarHBondContact O-N 3.24Å; E100-Q104 PolarHBondContact OE1-NE2 2.66Å |
| 101 | K | 88.9 | Confident | 85.8 | Confident | 123 Ų | 123 | 70.6 Ų | 70.6 | 54% | 0.535 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60.3 | -42.7 | 179.9 | -173.7 | 179.3 | 178.5 | -177.5 | 0 | 112.6 | L97 Q98 Q99 T105 | L97-K101 PolarHBondContact O-N 3.39Å; Q98-K101 PolarHBondContact O-N 3.08Å; Q99-K101 VanDerWaalsContact C-N 3.34Å; Q99-K101 PolarHBondContact O-N 2.89Å; K101-T105 WeakPolarHBondContact O-CB 3.44Å; K101-T105 PolarHBondContact O-N 3.44Å; K101-T105 PolarHBondContact O-OG1 3.41Å |
| 102 | N | 87.8 | Confident | 86.7 | Confident | 48 Ų | 48 | 68.4 Ų | 68.4 | 26% | 0.257 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.4 | -49 | 178.7 | -71.4 | 2.7 | 0 | 0 | 0 | 110.9 | Q98 Q99 E100 Q104 T105 E106 | Q98-N102 PolarHBondContact NE2-OD1 3.49Å; Q98-N102 VanDerWaalsContact O-CG 3.24Å; Q98-N102 PolarHBondContact O-N 2.96Å; Q98-N102 PolarHBondContact O-OD1 3.41Å; Q99-N102 PolarHBondContact O-N 2.86Å; E100-N102 VanDerWaalsContact C-N 3.35Å; E100-N102 PolarHBondContact O-N 2.99Å; N102-Q104 PolarHBondContact O-N 3.16Å; N102-T105 PolarHBondContact O-N 2.9Å; N102-E106 PolarHBondContact O-N 2.92Å |
| 103 | I | 87.2 | Confident | 87.8 | Confident | 1 Ų | 1 | 62.3 Ų | 62.3 | 1% | 0.005 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -64.6 | -40.6 | -179.8 | -61.3 | 165.3 | 0 | 0 | 0 | 110.5 | I69 C72 R73 M76 Q99 E100 E106 V107 | I69-I103 HydrophobicContact CG2-CD1 3.92Å; C72-I103 HydrophobicContact CB-CB 4.5Å; C72-I103 HydrophobicContact CB-CG2 3.55Å; R73-I103 HydrophobicContact CG-CD1 3.98Å; R73-I103 HydrophobicContact CG-CG2 4.5Å; M76-I103 HydrophobicContact CE-CG2 4.49Å; M76-I103 HydrophobicContact SD-CG2 4.19Å; Q99-I103 HydrophobicContact CG-CD1 3.91Å; Q99-I103 VanDerWaalsContact O-CG1 3.29Å; Q99-I103 WeakPolarHBondContact O-CG1 3.3Å; Q99-I103 PolarHBondContact O-N 3.25Å; E100-I103 PolarHBondContact O-N 2.92Å; I103-E106 PolarHBondContact O-N 3.21Å; I103-V107 HydrophobicContact CG2-CG2 4.29Å; I103-V107 WeakPolarHBondContact O-CB 3.27Å; I103-V107 VanDerWaalsContact O-CG2 3.26Å; I103-V107 WeakPolarHBondContact O-CG2 3.42Å; I103-V107 PolarHBondContact O-N 2.83Å |
| 104 | Q | 88.4 | Confident | 88.9 | Confident | 67 Ų | 67 | 62.2 Ų | 62.2 | 31% | 0.313 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.7 | -45.3 | 174.9 | -77.8 | 174.5 | -5.9 | 0 | 0 | 112 | E100 N102 E106 V107 E108 | E100-Q104 HydrophobicContact CG-CG 4.39Å; E100-Q104 WeakPolarHBondContact O-CB 3.26Å; E100-Q104 WeakPolarHBondContact O-CG 3.43Å; E100-Q104 PolarHBondContact O-N 3.24Å; E100-Q104 PolarHBondContact OE1-NE2 2.66Å; N102-Q104 PolarHBondContact O-N 3.16Å; Q104-E106 VanDerWaalsContact C-N 3.32Å; Q104-E106 PolarHBondContact O-N 2.91Å; Q104-V107 PolarHBondContact O-N 3.35Å; Q104-E108 WeakPolarHBondContact O-CB 3.48Å; Q104-E108 VanDerWaalsContact O-CG 3.32Å; Q104-E108 WeakPolarHBondContact O-CG 3.42Å; Q104-E108 PolarHBondContact O-N 3.22Å |
| 105 | T | 89.6 | Confident | 89.4 | Confident | 78 Ų | 78 | 63.6 Ų | 63.6 | 48% | 0.479 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.2 | -40.9 | 178.7 | -52.5 | 0 | 0 | 0 | 0 | 111.3 | K101 N102 E108 A109 | K101-T105 WeakPolarHBondContact O-CB 3.44Å; K101-T105 PolarHBondContact O-N 3.44Å; K101-T105 PolarHBondContact O-OG1 3.41Å; N102-T105 PolarHBondContact O-N 2.9Å; T105-E108 PolarHBondContact O-N 2.87Å; T105-A109 PolarHBondContact O-N 3.46Å |
| 106 | E | 88.9 | Confident | 89.7 | Confident | 66 Ų | 66 | 64 Ų | 64 | 31% | 0.308 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -69.6 | -42.6 | 178.5 | -168.3 | 61.8 | -156.6 | 0 | 0 | 112 | M76 F88 N102 I103 Q104 E108 A109 L110 | M76-E106 HydrophobicContact SD-CB 4.31Å; M76-E106 HydrophobicContact SD-CG 4.1Å; F88-E106 HydrophobicContact CB-CG 4.31Å; F88-E106 HydrophobicContact CD2-CG 3.97Å; F88-E106 HydrophobicContact CG-CG 4.22Å; N102-E106 PolarHBondContact O-N 2.92Å; I103-E106 PolarHBondContact O-N 3.21Å; Q104-E106 VanDerWaalsContact C-N 3.32Å; Q104-E106 PolarHBondContact O-N 2.91Å; E106-E108 VanDerWaalsContact C-N 3.32Å; E106-E108 PolarHBondContact O-N 3.45Å; E106-A109 WeakPolarHBondContact O-CB 3.46Å; E106-A109 PolarHBondContact O-N 3.25Å; E106-A109 VanDerWaalsContact O-N 3.16Å; E106-L110 HydrophobicContact CG-CD1 4.39Å; E106-L110 WeakPolarHBondContact O-CG 3.31Å; E106-L110 PolarHBondContact O-N 3.22Å |
| 107 | V | 90 | Very high | 90.1 | Very high | 5 Ų | 5 | 61 Ų | 61 | 3% | 0.03 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.6 | -43.6 | 174.1 | 166.7 | 0 | 0 | 0 | 0 | 110.9 | C72 E75 M76 L79 I103 Q104 L110 M111 | C72-V107 HydrophobicContact CB-CG2 4.46Å; C72-V107 WeakPolarHBondContact O-CG2 3.2Å; E75-V107 HydrophobicContact CG-CG1 4.05Å; M76-V107 HydrophobicContact CB-CG2 3.63Å; M76-V107 HydrophobicContact CG-CG2 4.14Å; L79-V107 HydrophobicContact CD1-CG1 4.14Å; I103-V107 HydrophobicContact CG2-CG2 4.29Å; I103-V107 WeakPolarHBondContact O-CB 3.27Å; I103-V107 VanDerWaalsContact O-CG2 3.26Å; I103-V107 WeakPolarHBondContact O-CG2 3.42Å; I103-V107 PolarHBondContact O-N 2.83Å; Q104-V107 PolarHBondContact O-N 3.35Å; V107-L110 PolarHBondContact O-N 3.36Å; V107-M111 HydrophobicContact CG1-CE 3.38Å; V107-M111 WeakPolarHBondContact O-CB 3.34Å; V107-M111 WeakPolarHBondContact O-CG 3.49Å; V107-M111 PolarHBondContact O-N 2.93Å |
| 108 | E | 92.4 | Very high | 90.4 | Very high | 122 Ų | 122 | 58 Ų | 58 | 57% | 0.57 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -59.3 | -45.9 | 173.6 | -75.3 | 174.4 | -170.6 | 0 | 0 | 111.3 | Q104 T105 E106 M111 T112 | Q104-E108 WeakPolarHBondContact O-CB 3.48Å; Q104-E108 VanDerWaalsContact O-CG 3.32Å; Q104-E108 WeakPolarHBondContact O-CG 3.42Å; Q104-E108 PolarHBondContact O-N 3.22Å; T105-E108 PolarHBondContact O-N 2.87Å; E106-E108 VanDerWaalsContact C-N 3.32Å; E106-E108 PolarHBondContact O-N 3.45Å; E108-M111 PolarHBondContact O-N 2.9Å; E108-T112 WeakPolarHBondContact O-CG2 3.26Å; E108-T112 PolarHBondContact O-N 2.93Å |
| 109 | A | 91.1 | Very high | 90.8 | Very high | 45 Ų | 45 | 60.9 Ų | 60.9 | 37% | 0.372 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.5 | -47.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | T105 E106 M111 T112 E113 | T105-A109 PolarHBondContact O-N 3.46Å; E106-A109 WeakPolarHBondContact O-CB 3.46Å; E106-A109 PolarHBondContact O-N 3.25Å; E106-A109 VanDerWaalsContact O-N 3.16Å; A109-M111 PolarHBondContact O-N 3.44Å; A109-T112 PolarHBondContact O-N 2.83Å; A109-T112 VanDerWaalsContact O-N 3.17Å; A109-T112 PolarHBondContact O-OG1 3.24Å; A109-E113 PolarHBondContact O-N 2.84Å |
| 110 | L | 91.5 | Very high | 91.1 | Very high | 8 Ų | 8 | 62.3 Ų | 62.3 | 4% | 0.042 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.4 | -39 | 177.4 | -68.2 | 172.8 | 0 | 0 | 0 | 112.2 | M76 L79 L83 I85 E106 V107 E113 R114 | M76-L110 HydrophobicContact CG-CD1 3.89Å; L79-L110 HydrophobicContact CB-CB 4.09Å; L79-L110 HydrophobicContact CB-CD1 4.21Å; L79-L110 HydrophobicContact CD1-CB 4.03Å; L83-L110 HydrophobicContact CD1-CB 4.09Å; L83-L110 HydrophobicContact CD1-CD2 3.84Å; I85-L110 HydrophobicContact CD1-CD2 4Å; E106-L110 HydrophobicContact CG-CD1 4.39Å; E106-L110 WeakPolarHBondContact O-CG 3.31Å; E106-L110 PolarHBondContact O-N 3.22Å; V107-L110 PolarHBondContact O-N 3.36Å; L110-E113 PolarHBondContact O-N 3.4Å; L110-R114 WeakPolarHBondContact O-CB 3.43Å; L110-R114 PolarHBondContact O-N 3.3Å |
| 111 | M | 91.6 | Very high | 91.5 | Very high | 66 Ų | 66 | 61.1 Ų | 61.1 | 33% | 0.325 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.5 | -41.7 | 173.3 | -78.2 | -157.7 | -119.7 | 0 | 0 | 112 | E75 L79 V107 E108 A109 E113 R114 N115 | E75-M111 WeakPolarHBondContact OE1-CE 3.28Å; L79-M111 HydrophobicContact CD1-CG 3.67Å; L79-M111 HydrophobicContact CD2-CG 4.36Å; V107-M111 HydrophobicContact CG1-CE 3.38Å; V107-M111 WeakPolarHBondContact O-CB 3.34Å; V107-M111 WeakPolarHBondContact O-CG 3.49Å; V107-M111 PolarHBondContact O-N 2.93Å; E108-M111 PolarHBondContact O-N 2.9Å; A109-M111 PolarHBondContact O-N 3.44Å; M111-E113 VanDerWaalsContact C-N 3.33Å; M111-E113 PolarHBondContact O-N 3.49Å; M111-R114 PolarHBondContact O-N 2.98Å; M111-N115 WeakPolarHBondContact O-CB 3.46Å; M111-N115 PolarHBondContact O-N 2.88Å; M111-N115 PolarHBondContact O-ND2 3.35Å |
| 112 | T | 93 | Very high | 91.7 | Very high | 93 Ų | 93 | 61.7 Ų | 61.7 | 57% | 0.571 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -63.2 | -40.6 | 176 | 61.2 | 0 | 0 | 0 | 0 | 111.9 | E108 A109 N115 R116 | E108-T112 WeakPolarHBondContact O-CG2 3.26Å; E108-T112 PolarHBondContact O-N 2.93Å; A109-T112 PolarHBondContact O-N 2.83Å; A109-T112 VanDerWaalsContact O-N 3.17Å; A109-T112 PolarHBondContact O-OG1 3.24Å; T112-N115 PolarHBondContact O-N 2.95Å; T112-R116 WeakPolarHBondContact O-CB 3.36Å; T112-R116 PolarHBondContact O-N 2.82Å |
| 113 | E | 91.9 | Very high | 92 | Very high | 43 Ų | 43 | 61.6 Ų | 61.6 | 20% | 0.201 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.2 | -44 | 176.9 | 176.1 | 59 | -166.4 | 0 | 0 | 112.2 | L83 A109 L110 M111 N115 R116 R117 | L83-E113 HydrophobicContact CD1-CG 4.41Å; L83-E113 HydrophobicContact CD2-CG 4.2Å; A109-E113 PolarHBondContact O-N 2.84Å; L110-E113 PolarHBondContact O-N 3.4Å; M111-E113 VanDerWaalsContact C-N 3.33Å; M111-E113 PolarHBondContact O-N 3.49Å; E113-N115 VanDerWaalsContact C-N 3.35Å; E113-N115 PolarHBondContact O-N 3.46Å; E113-R116 VanDerWaalsContact CD-NH2 3.29Å; E113-R116 WeakPolarHBondContact O-CB 3.39Å; E113-R116 PolarHBondContact O-N 3.08Å; E113-R116 IonicContact OE1-CZ 2.8Å; E113-R116 IonicContact OE1-NE 3.34Å; E113-R116 IonicContact OE1-NH2 2.69Å; E113-R116 PolarHBondContact OE1-NH2 3.49Å; E113-R116 IonicContact OE2-CZ 3.56Å; E113-R116 IonicContact OE2-NE 2.73Å; E113-R116 PolarHBondContact OE2-NE 2.93Å; E113-R116 IonicContact OE2-NH2 3.8Å; E113-R116 PolarHBondContact OE2-NH2 3.43Å; E113-R116 VanDerWaalsContact OE2-NH2 3.15Å; E113-R117 WeakPolarHBondContact O-CG 3.47Å; E113-R117 PolarHBondContact O-N 3.26Å; E113-R117 IonicContact OE1-CZ 2.73Å; E113-R117 IonicContact OE1-NE 3.77Å; E113-R117 PolarHBondContact OE1-NE 2.76Å; E113-R117 IonicContact OE1-NH2 3.5Å; E113-R117 PolarHBondContact OE1-NH2 3.24Å |
| 114 | R | 92.9 | Very high | 92.3 | Very high | 86 Ų | 86 | 62.1 Ų | 62.1 | 33% | 0.325 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -55.5 | -50 | 172.5 | 178.3 | -174.9 | -175.9 | -90.8 | -2.2 | 111.4 | E82 L83 L110 M111 R116 R117 M118 V147 | E82-R114 IonicContact OE2-CZ 2.88Å; E82-R114 IonicContact OE2-NE 3.95Å; E82-R114 PolarHBondContact OE2-NE 3.18Å; E82-R114 IonicContact OE2-NH2 3.75Å; L83-R114 HydrophobicContact CD1-CB 4.47Å; L83-R114 HydrophobicContact CD2-CB 4.21Å; L110-R114 WeakPolarHBondContact O-CB 3.43Å; L110-R114 PolarHBondContact O-N 3.3Å; M111-R114 PolarHBondContact O-N 2.98Å; R114-R116 VanDerWaalsContact C-N 3.3Å; R114-R116 PolarHBondContact O-N 2.83Å; R114-R117 PolarHBondContact O-N 3.29Å; R114-M118 WeakPolarHBondContact O-CG 3.32Å; R114-M118 PolarHBondContact O-N 3.37Å; R114-V147 HydrophobicContact CG-CG2 3.9Å |
| 115 | N | 93 | Very high | 92.6 | Very high | 78 Ų | 78 | 61 Ų | 61 | 42% | 0.417 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.9 | -39.3 | 179.3 | -69 | -23 | 0 | 0 | 0 | 111.3 | M111 T112 E113 M118 Q119 | M111-N115 WeakPolarHBondContact O-CB 3.46Å; M111-N115 PolarHBondContact O-N 2.88Å; M111-N115 PolarHBondContact O-ND2 3.35Å; T112-N115 PolarHBondContact O-N 2.95Å; E113-N115 VanDerWaalsContact C-N 3.35Å; E113-N115 PolarHBondContact O-N 3.46Å; N115-M118 PolarHBondContact O-N 3.03Å; N115-Q119 WeakPolarHBondContact O-CB 3.48Å; N115-Q119 VanDerWaalsContact O-CG 3.24Å; N115-Q119 WeakPolarHBondContact O-CG 3.38Å; N115-Q119 PolarHBondContact O-N 3.3Å |
| 116 | R | 93.9 | Very high | 92.8 | Very high | 85 Ų | 85 | 61.4 Ų | 61.4 | 32% | 0.321 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61 | -49.2 | 175.1 | -170.5 | -169.6 | 69.2 | 72.6 | 2.6 | 111.8 | T112 E113 R114 M118 Q119 Q120 | T112-R116 WeakPolarHBondContact O-CB 3.36Å; T112-R116 PolarHBondContact O-N 2.82Å; E113-R116 VanDerWaalsContact CD-NH2 3.29Å; E113-R116 WeakPolarHBondContact O-CB 3.39Å; E113-R116 PolarHBondContact O-N 3.08Å; E113-R116 IonicContact OE1-CZ 2.8Å; E113-R116 IonicContact OE1-NE 3.34Å; E113-R116 IonicContact OE1-NH2 2.69Å; E113-R116 PolarHBondContact OE1-NH2 3.49Å; E113-R116 IonicContact OE2-CZ 3.56Å; E113-R116 IonicContact OE2-NE 2.73Å; E113-R116 PolarHBondContact OE2-NE 2.93Å; E113-R116 IonicContact OE2-NH2 3.8Å; E113-R116 PolarHBondContact OE2-NH2 3.43Å; E113-R116 VanDerWaalsContact OE2-NH2 3.15Å; R114-R116 VanDerWaalsContact C-N 3.3Å; R114-R116 PolarHBondContact O-N 2.83Å; R116-M118 PolarHBondContact O-N 2.73Å; R116-Q119 PolarHBondContact O-N 3.19Å; R116-Q120 WeakPolarHBondContact O-CG 3.38Å; R116-Q120 PolarHBondContact O-N 2.85Å |
| 117 | R | 93.1 | Very high | 93.1 | Very high | 11 Ų | 11 | 62.6 Ų | 62.6 | 4% | 0.042 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63 | -41.3 | 178.6 | -68.5 | -170.5 | -167.1 | 177.7 | 6 | 112.3 | L83 E113 R114 Q120 L121 V147 P148 L153 | L83-R117 PolarHBondContact O-NH1 3.29Å; E113-R117 WeakPolarHBondContact O-CG 3.47Å; E113-R117 PolarHBondContact O-N 3.26Å; E113-R117 IonicContact OE1-CZ 2.73Å; E113-R117 IonicContact OE1-NE 3.77Å; E113-R117 PolarHBondContact OE1-NE 2.76Å; E113-R117 IonicContact OE1-NH2 3.5Å; E113-R117 PolarHBondContact OE1-NH2 3.24Å; R114-R117 PolarHBondContact O-N 3.29Å; R117-Q120 PolarHBondContact O-N 3.1Å; R117-L121 WeakPolarHBondContact O-CB 3.36Å; R117-L121 PolarHBondContact O-N 3.41Å; R117-V147 HydrophobicContact CB-CG1 4.37Å; R117-P148 HydrophobicContact CB-CG 4.36Å; R117-P148 WeakPolarHBondContact CD-O 3.33Å; R117-P148 PolarHBondContact NH1-O 3.15Å; R117-L153 HydrophobicContact CB-CD1 4.14Å; R117-L153 HydrophobicContact CG-CD1 4.02Å |
| 118 | M | 93.4 | Very high | 93.3 | Very high | 50 Ų | 50 | 62.5 Ų | 62.5 | 25% | 0.246 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.3 | -39.9 | 176.8 | -70.7 | -60.5 | -65.1 | 0 | 0 | 112.4 | R114 N115 R116 L121 K122 V147 | R114-M118 WeakPolarHBondContact O-CG 3.32Å; R114-M118 PolarHBondContact O-N 3.37Å; N115-M118 PolarHBondContact O-N 3.03Å; R116-M118 PolarHBondContact O-N 2.73Å; M118-L121 PolarHBondContact O-N 2.89Å; M118-K122 WeakPolarHBondContact O-CB 3.24Å; M118-K122 PolarHBondContact O-N 3.31Å; M118-V147 HydrophobicContact CG-CG2 4.34Å; M118-V147 HydrophobicContact SD-CB 4.4Å; M118-V147 HydrophobicContact SD-CG2 4.03Å |
| 119 | Q | 93.9 | Very high | 93.3 | Very high | 139 Ų | 139 | 61 Ų | 61 | 65% | 0.65 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -64.4 | -41.4 | 174.1 | -75.8 | 173.4 | -0.2 | 0 | 0 | 111.8 | N115 R116 K122 A123 | N115-Q119 WeakPolarHBondContact O-CB 3.48Å; N115-Q119 VanDerWaalsContact O-CG 3.24Å; N115-Q119 WeakPolarHBondContact O-CG 3.38Å; N115-Q119 PolarHBondContact O-N 3.3Å; R116-Q119 PolarHBondContact O-N 3.19Å; Q119-K122 PolarHBondContact O-N 3.49Å; Q119-A123 PolarHBondContact O-N 2.97Å |
| 120 | Q | 94 | Very high | 93.4 | Very high | 66 Ų | 66 | 63.9 Ų | 63.9 | 31% | 0.308 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.7 | -45.2 | 174.4 | -75.2 | -176.7 | -26 | 0 | 0 | 111.8 | R116 R117 K122 A123 L124 L153 | R116-Q120 WeakPolarHBondContact O-CG 3.38Å; R116-Q120 PolarHBondContact O-N 2.85Å; R117-Q120 PolarHBondContact O-N 3.1Å; Q120-K122 VanDerWaalsContact C-N 3.33Å; Q120-K122 PolarHBondContact O-N 3.22Å; Q120-A123 PolarHBondContact O-N 2.92Å; Q120-L124 WeakPolarHBondContact O-CG 3.4Å; Q120-L124 PolarHBondContact O-N 3.38Å; Q120-L153 HydrophobicContact CB-CD2 4.36Å |
| 121 | L | 93.9 | Very high | 93.5 | Very high | 4 Ų | 4 | 63.9 Ų | 63.9 | 2% | 0.021 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -57.9 | -47.2 | 175.7 | 178.9 | 58.7 | 0 | 0 | 0 | 111.4 | R117 M118 A123 L124 L125 V142 P148 L153 F156 | R117-L121 WeakPolarHBondContact O-CB 3.36Å; R117-L121 PolarHBondContact O-N 3.41Å; M118-L121 PolarHBondContact O-N 2.89Å; L121-A123 PolarHBondContact O-N 2.99Å; L121-L124 PolarHBondContact O-N 3.31Å; L121-L125 HydrophobicContact CD1-CD1 4.21Å; L121-L125 HydrophobicContact CD1-CG 4.16Å; L121-L125 HydrophobicContact CG-CD1 4Å; L121-L125 HydrophobicContact CG-CG 4.4Å; L121-L125 WeakPolarHBondContact O-CG 3.37Å; L121-L125 PolarHBondContact O-N 2.78Å; L121-V142 HydrophobicContact CD1-CG1 3.81Å; L121-V142 HydrophobicContact CD2-CG1 4.48Å; L121-P148 HydrophobicContact CB-CG 4.13Å; L121-P148 HydrophobicContact CD2-CG 4.18Å; L121-L153 HydrophobicContact CB-CD2 4.33Å; L121-F156 HydrophobicContact CD1-CD1 4.18Å; L121-F156 HydrophobicContact CD1-CE1 4.16Å |
| 122 | K | 93.4 | Very high | 93.5 | Very high | 135 Ų | 135 | 61 Ų | 61 | 59% | 0.587 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -58 | -48 | 177.7 | -174.8 | -178.8 | 176.8 | -176.3 | 0 | 111.6 | M118 Q119 Q120 L124 L125 D126 | M118-K122 WeakPolarHBondContact O-CB 3.24Å; M118-K122 PolarHBondContact O-N 3.31Å; Q119-K122 PolarHBondContact O-N 3.49Å; Q120-K122 VanDerWaalsContact C-N 3.33Å; Q120-K122 PolarHBondContact O-N 3.22Å; K122-L124 VanDerWaalsContact C-N 3.29Å; K122-L124 PolarHBondContact O-N 3.25Å; K122-L125 PolarHBondContact O-N 2.9Å; K122-D126 VanDerWaalsContact O-CG 3.26Å; K122-D126 PolarHBondContact O-N 2.9Å |
| 123 | A | 94.3 | Very high | 93.4 | Very high | 45 Ų | 45 | 61.1 Ų | 61.1 | 37% | 0.372 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.7 | -36.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q119 Q120 L121 Q127 | Q119-A123 PolarHBondContact O-N 2.97Å; Q120-A123 PolarHBondContact O-N 2.92Å; L121-A123 PolarHBondContact O-N 2.99Å; A123-Q127 VanDerWaalsContact O-CG 3.28Å; A123-Q127 WeakPolarHBondContact O-CG 3.43Å; A123-Q127 PolarHBondContact O-N 2.76Å; A123-Q127 VanDerWaalsContact O-N 3.12Å |
| 124 | L | 95.1 | Very high | 93.4 | Very high | 13 Ų | 13 | 60.7 Ų | 60.7 | 7% | 0.068 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -70.7 | -38.7 | 175.8 | -67.8 | 169.7 | 0 | 0 | 0 | 112.2 | Q120 L121 K122 Q127 D128 L153 F156 Q157 I160 | Q120-L124 WeakPolarHBondContact O-CG 3.4Å; Q120-L124 PolarHBondContact O-N 3.38Å; L121-L124 PolarHBondContact O-N 3.31Å; K122-L124 VanDerWaalsContact C-N 3.29Å; K122-L124 PolarHBondContact O-N 3.25Å; L124-Q127 PolarHBondContact O-N 3Å; L124-D128 WeakPolarHBondContact O-CB 3.34Å; L124-D128 PolarHBondContact O-N 3.34Å; L124-L153 HydrophobicContact CD1-CD2 3.97Å; L124-F156 HydrophobicContact CB-CD1 3.61Å; L124-F156 HydrophobicContact CB-CE1 3.46Å; L124-F156 VanDerWaalsContact CB-CE1 3.46Å; L124-F156 HydrophobicContact CB-CG 4.29Å; L124-F156 HydrophobicContact CB-CZ 4.02Å; L124-F156 HydrophobicContact CD1-CB 4.34Å; L124-F156 HydrophobicContact CD1-CD1 3.92Å; L124-F156 HydrophobicContact CD1-CG 4.29Å; L124-F156 HydrophobicContact CG-CD1 4.38Å; L124-Q157 HydrophobicContact CD1-CG 3.9Å; L124-Q157 HydrophobicContact CD2-CG 3.76Å; L124-Q157 HydrophobicContact CG-CG 4.47Å; L124-I160 HydrophobicContact CD2-CG1 4.2Å |
| 125 | L | 94.1 | Very high | 93.4 | Very high | 44 Ų | 44 | 56.9 Ų | 56.9 | 23% | 0.23 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.2 | -43.1 | 174.7 | -72.7 | 171 | 0 | 0 | 0 | 111.9 | L121 K122 Q127 D128 Q129 A144 F156 | L121-L125 HydrophobicContact CD1-CD1 4.21Å; L121-L125 HydrophobicContact CD1-CG 4.16Å; L121-L125 HydrophobicContact CG-CD1 4Å; L121-L125 HydrophobicContact CG-CG 4.4Å; L121-L125 WeakPolarHBondContact O-CG 3.37Å; L121-L125 PolarHBondContact O-N 2.78Å; K122-L125 PolarHBondContact O-N 2.9Å; L125-Q127 VanDerWaalsContact C-N 3.34Å; L125-Q127 PolarHBondContact O-N 3.48Å; L125-D128 PolarHBondContact O-N 3.14Å; L125-Q129 WeakPolarHBondContact O-CB 3.43Å; L125-Q129 PolarHBondContact O-N 2.8Å; L125-A144 HydrophobicContact CD1-CB 4.08Å; L125-F156 HydrophobicContact CD2-CE1 3.93Å; L125-F156 HydrophobicContact CD2-CZ 4.07Å; L125-F156 HydrophobicContact CG-CE1 4.12Å |
| 126 | D | 93.3 | Very high | 93.3 | Very high | 86 Ų | 86 | 56.9 Ų | 56.9 | 46% | 0.46 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.3 | -44.2 | 176.4 | -65.7 | -21.5 | 0 | 0 | 0 | 110.1 | K122 Q129 D130 | K122-D126 VanDerWaalsContact O-CG 3.26Å; K122-D126 PolarHBondContact O-N 2.9Å; D126-Q129 PolarHBondContact O-N 3.01Å; D126-D130 PolarHBondContact O-N 3.4Å; D126-D130 VanDerWaalsContact O-N 3.11Å |
| 127 | Q | 94.9 | Very high | 93.1 | Very high | 90 Ų | 90 | 54.6 Ų | 54.6 | 42% | 0.421 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64.7 | -39.9 | 175.1 | -73.4 | 174.9 | 21.6 | 0 | 0 | 113.4 | A123 L124 L125 Q129 D130 L131 I160 | A123-Q127 VanDerWaalsContact O-CG 3.28Å; A123-Q127 WeakPolarHBondContact O-CG 3.43Å; A123-Q127 PolarHBondContact O-N 2.76Å; A123-Q127 VanDerWaalsContact O-N 3.12Å; L124-Q127 PolarHBondContact O-N 3Å; L125-Q127 VanDerWaalsContact C-N 3.34Å; L125-Q127 PolarHBondContact O-N 3.48Å; Q127-Q129 VanDerWaalsContact C-N 3.33Å; Q127-D130 PolarHBondContact O-N 2.88Å; Q127-L131 WeakPolarHBondContact O-CB 3.31Å; Q127-L131 VanDerWaalsContact O-CG 3.27Å; Q127-L131 WeakPolarHBondContact O-CG 3.39Å; Q127-L131 PolarHBondContact O-N 3.08Å; Q127-I160 HydrophobicContact CB-CD1 4.37Å |
| 128 | D | 94.4 | Very high | 92.9 | Very high | 3 Ų | 3 | 62 Ų | 62 | 2% | 0.016 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63 | -41.8 | 177.2 | -167.4 | 64.4 | 0 | 0 | 0 | 111.3 | L124 L125 L131 C132 P139 Y140 F156 H159 I160 | L124-D128 WeakPolarHBondContact O-CB 3.34Å; L124-D128 PolarHBondContact O-N 3.34Å; L125-D128 PolarHBondContact O-N 3.14Å; D128-L131 PolarHBondContact O-N 2.91Å; D128-C132 VanDerWaalsContact O-CB 3.32Å; D128-C132 WeakPolarHBondContact O-CB 3.28Å; D128-C132 PolarHBondContact O-N 2.92Å; D128-C132 PolarHBondContact O-SG 3.06Å; D128-P139 VanDerWaalsContact OD2-CA 3.3Å; D128-P139 WeakPolarHBondContact OD2-CA 3.44Å; D128-Y140 PolarHBondContact OD2-N 2.78Å; D128-F156 HydrophobicContact CB-CE2 3.89Å; D128-F156 HydrophobicContact CB-CZ 3.73Å; D128-H159 IonicContact OD1-CD2 3.73Å; D128-H159 IonicContact OD1-NE2 2.68Å; D128-I160 HydrophobicContact CB-CD1 3.74Å |
| 129 | Q | 93.2 | Very high | 92.7 | Very high | 90 Ų | 90 | 62.9 Ų | 62.9 | 42% | 0.421 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.8 | -48.3 | 177.5 | -173.2 | 61.2 | 54.6 | 0 | 0 | 111 | L125 D126 Q127 L131 C132 D133 | L125-Q129 WeakPolarHBondContact O-CB 3.43Å; L125-Q129 PolarHBondContact O-N 2.8Å; D126-Q129 PolarHBondContact O-N 3.01Å; Q127-Q129 VanDerWaalsContact C-N 3.33Å; Q129-L131 VanDerWaalsContact C-N 3.27Å; Q129-L131 PolarHBondContact O-N 3.13Å; Q129-C132 PolarHBondContact O-N 2.95Å; Q129-C132 VanDerWaalsContact O-N 3.15Å; Q129-D133 PolarHBondContact NE2-OD1 3.15Å; Q129-D133 VanDerWaalsContact O-CG 3.27Å; Q129-D133 PolarHBondContact O-N 2.88Å |
| 130 | D | 92.1 | Very high | 92.4 | Very high | 107 Ų | 107 | 60.2 Ų | 60.2 | 57% | 0.572 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -58.2 | -40.3 | 176.7 | -69.8 | -18.9 | 0 | 0 | 0 | 111.7 | D126 Q127 V134 | D126-D130 PolarHBondContact O-N 3.4Å; D126-D130 VanDerWaalsContact O-N 3.11Å; Q127-D130 PolarHBondContact O-N 2.88Å; D130-V134 WeakPolarHBondContact O-CG2 3.24Å; D130-V134 PolarHBondContact O-N 2.79Å |
| 131 | L | 93.6 | Very high | 91.7 | Very high | 7 Ų | 7 | 61 Ų | 61 | 4% | 0.037 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -69.3 | -40.9 | 176.8 | -73 | 168 | 0 | 0 | 0 | 112.1 | Q127 D128 Q129 V134 L135 I160 Q163 K167 | Q127-L131 WeakPolarHBondContact O-CB 3.31Å; Q127-L131 VanDerWaalsContact O-CG 3.27Å; Q127-L131 WeakPolarHBondContact O-CG 3.39Å; Q127-L131 PolarHBondContact O-N 3.08Å; D128-L131 PolarHBondContact O-N 2.91Å; Q129-L131 VanDerWaalsContact C-N 3.27Å; Q129-L131 PolarHBondContact O-N 3.13Å; L131-V134 PolarHBondContact O-N 3.07Å; L131-L135 VanDerWaalsContact O-CB 3.28Å; L131-L135 WeakPolarHBondContact O-CB 3.44Å; L131-L135 WeakPolarHBondContact O-CG 3.34Å; L131-L135 PolarHBondContact O-N 2.95Å; L131-I160 HydrophobicContact CD1-CD1 3.98Å; L131-I160 HydrophobicContact CD1-CG2 4.08Å; L131-Q163 HydrophobicContact CD1-CB 3.9Å; L131-K167 HydrophobicContact CD2-CB 4.41Å; L131-K167 HydrophobicContact CD2-CD 3.79Å |
| 132 | C | 92.6 | Very high | 91.1 | Very high | 6 Ų | 6 | 63 Ų | 63 | 4% | 0.041 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -66.4 | -37.6 | 178.2 | -73.2 | 0 | 0 | 0 | 0 | 112.4 | D128 Q129 V134 C136 S137 | D128-C132 VanDerWaalsContact O-CB 3.32Å; D128-C132 WeakPolarHBondContact O-CB 3.28Å; D128-C132 PolarHBondContact O-N 2.92Å; D128-C132 PolarHBondContact O-SG 3.06Å; Q129-C132 PolarHBondContact O-N 2.95Å; Q129-C132 VanDerWaalsContact O-N 3.15Å; C132-V134 VanDerWaalsContact C-N 3.34Å; C132-V134 PolarHBondContact O-N 3.42Å; C132-C136 WeakPolarHBondContact O-CA 3.46Å; C132-C136 PolarHBondContact O-N 3.27Å; C132-S137 WeakPolarHBondContact CB-O 3.46Å; C132-S137 PolarHBondContact O-N 3.24Å; C132-S137 PolarHBondContact SG-OG 3.47Å; C132-S137 VanDerWaalsContact SG-OG 3.37Å |
| 133 | D | 90.7 | Very high | 90.6 | Very high | 95 Ų | 95 | 59.5 Ų | 59.5 | 51% | 0.508 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.6 | -42.8 | 176.5 | -70.4 | -16.5 | 0 | 0 | 0 | 110.9 | Q129 | Q129-D133 PolarHBondContact NE2-OD1 3.15Å; Q129-D133 VanDerWaalsContact O-CG 3.27Å; Q129-D133 PolarHBondContact O-N 2.88Å |
| 134 | V | 91.7 | Very high | 89.9 | Confident | 35 Ų | 35 | 60 Ų | 60 | 21% | 0.212 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -75.2 | -45.8 | 179.7 | 176 | 0 | 0 | 0 | 0 | 112.6 | D130 L131 C132 C136 K167 L210 | D130-V134 WeakPolarHBondContact O-CG2 3.24Å; D130-V134 PolarHBondContact O-N 2.79Å; L131-V134 PolarHBondContact O-N 3.07Å; C132-V134 VanDerWaalsContact C-N 3.34Å; C132-V134 PolarHBondContact O-N 3.42Å; V134-C136 VanDerWaalsContact C-N 3.32Å; V134-K167 HydrophobicContact CG1-CD 4.39Å; V134-L210 HydrophobicContact CG1-CB 4.26Å; V134-L210 HydrophobicContact CG1-CD1 3.94Å; V134-L210 HydrophobicContact CG1-CG 4.14Å; V134-L210 PolarHBondContact O-N 3.28Å |
| 135 | L | 92.9 | Very high | 89.2 | Confident | 5 Ų | 5 | 66.8 Ų | 66.8 | 3% | 0.026 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -83.7 | -10 | -176.3 | -66.9 | 175.1 | 0 | 0 | 0 | 113.4 | L131 S137 Q163 E166 K167 R170 L210 | L131-L135 VanDerWaalsContact O-CB 3.28Å; L131-L135 WeakPolarHBondContact O-CB 3.44Å; L131-L135 WeakPolarHBondContact O-CG 3.34Å; L131-L135 PolarHBondContact O-N 2.95Å; L135-S137 PolarHBondContact O-N 2.9Å; L135-Q163 HydrophobicContact CD1-CB 4.34Å; L135-E166 HydrophobicContact CD2-CG 4.48Å; L135-K167 HydrophobicContact CD1-CB 4.36Å; L135-K167 HydrophobicContact CD2-CB 4.15Å; L135-K167 HydrophobicContact CG-CB 4.47Å; L135-R170 PolarHBondContact O-NH1 3.13Å; L135-L210 HydrophobicContact CD2-CB 4.27Å |
| 136 | C | 91.3 | Very high | 88.8 | Confident | 78 Ų | 78 | 68.5 Ų | 68.5 | 53% | 0.527 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.8 | 42.8 | -169.4 | -53.7 | 0 | 0 | 0 | 0 | 112.1 | C132 V134 | C132-C136 WeakPolarHBondContact O-CA 3.46Å; C132-C136 PolarHBondContact O-N 3.27Å; V134-C136 VanDerWaalsContact C-N 3.32Å |
| 137 | S | 90.3 | Very high | 88.5 | Confident | 37 Ų | 37 | 65.3 Ų | 65.3 | 26% | 0.259 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -97 | 164.5 | 177.7 | 53.2 | 0 | 0 | 0 | 0 | 112.1 | C132 L135 | C132-S137 WeakPolarHBondContact CB-O 3.46Å; C132-S137 PolarHBondContact O-N 3.24Å; C132-S137 PolarHBondContact SG-OG 3.47Å; C132-S137 VanDerWaalsContact SG-OG 3.37Å; L135-S137 PolarHBondContact O-N 2.9Å |
| 138 | M | 88.2 | Confident | 88.2 | Confident | 166 Ų | 166 | 61.2 Ų | 61.2 | 82% | 0.818 | 37% | 0.373 | S | S | * | . | P | Polyproline II helix | trans | -78.4 | 135.3 | 174.3 | -69.3 | -63.6 | -61.6 | 0 | 0 | 110.3 | ||
| 139 | P | 89.4 | Confident | 88 | Confident | 70 Ų | 70 | 61.9 Ų | 61.9 | 46% | 0.455 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 152.5 | 176.4 | -25.4 | 33.9 | 0 | 0 | 0 | 113.5 | D128 G141 | D128-P139 VanDerWaalsContact OD2-CA 3.3Å; D128-P139 WeakPolarHBondContact OD2-CA 3.44Å; P139-G141 PolarHBondContact O-N 3.32Å |
| 140 | Y | 86.5 | Confident | 87.8 | Confident | 82 Ų | 82 | 62.2 Ų | 62.2 | 32% | 0.322 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -68.7 | 124.6 | 176.8 | -164.9 | -104.7 | 0 | 0 | 0 | 110.6 | D128 V142 F156 H159 | D128-Y140 PolarHBondContact OD2-N 2.78Å; Y140-V142 VanDerWaalsContact C-N 3.3Å; Y140-V142 HydrophobicContact CD1-CB 4.42Å; Y140-V142 HydrophobicContact CD1-CG2 3.31Å; Y140-V142 HydrophobicContact CE1-CG2 3.37Å; Y140-V142 PolarHBondContact O-N 3.07Å; Y140-F156 HydrophobicContact CD1-CB 4.29Å; Y140-F156 HydrophobicContact CD1-CD1 4.26Å; Y140-F156 AromaticContact CD1-CD2 3.43Å; Y140-F156 HydrophobicContact CD1-CD2 3.43Å; Y140-F156 VanDerWaalsContact CD1-CD2 3.43Å; Y140-F156 HydrophobicContact CD1-CE1 4.47Å; Y140-F156 AromaticContact CD1-CE2 3.71Å; Y140-F156 HydrophobicContact CD1-CE2 3.71Å; Y140-F156 AromaticContact CD1-CG 3.75Å; Y140-F156 HydrophobicContact CD1-CG 3.75Å; Y140-F156 HydrophobicContact CD1-CZ 4.22Å; Y140-F156 HydrophobicContact CD2-CD2 4.47Å; Y140-F156 HydrophobicContact CE1-CB 4.03Å; Y140-F156 AromaticContact CE1-CD2 3.99Å; Y140-F156 HydrophobicContact CE1-CD2 3.99Å; Y140-F156 HydrophobicContact CE1-CG 4.02Å; Y140-F156 AromaticContact CG-CD2 3.75Å; Y140-F156 HydrophobicContact CG-CD2 3.75Å; Y140-F156 AromaticContact CG-CE2 3.75Å; Y140-F156 HydrophobicContact CG-CE2 3.75Å; Y140-F156 HydrophobicContact CG-CZ 4.49Å; Y140-H159 HydrophobicContact CD2-CB 4.23Å; Y140-H159 AromaticContact CD2-CD2 3.63Å; Y140-H159 AromaticContact CD2-CG 3.71Å; Y140-H159 AromaticContact CD2-NE2 3.91Å; Y140-H159 HydrophobicContact CE2-CB 4.16Å |
| 141 | G | 80.4 | Confident | 87.7 | Confident | 84 Ų | 84 | 63.4 Ų | 63.4 | 87% | 0.866 | 38% | 0.384 | S | S | * | . | trans | -75.7 | 64.1 | -168.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | P139 | P139-G141 PolarHBondContact O-N 3.32Š| ||
| 142 | V | 82.1 | Confident | 87.6 | Confident | 46 Ų | 46 | 67.8 Ų | 67.8 | 28% | 0.279 | 40% | 0.404 | S | S | . | . | trans | -109.1 | 138.1 | 178 | 177.5 | 0 | 0 | 0 | 0 | 111.3 | L121 Y140 A144 | L121-V142 HydrophobicContact CD1-CG1 3.81Å; L121-V142 HydrophobicContact CD2-CG1 4.48Å; Y140-V142 VanDerWaalsContact C-N 3.3Å; Y140-V142 HydrophobicContact CD1-CB 4.42Å; Y140-V142 HydrophobicContact CD1-CG2 3.31Å; Y140-V142 HydrophobicContact CE1-CG2 3.37Å; Y140-V142 PolarHBondContact O-N 3.07Å; V142-A144 PolarHBondContact O-N 3Å | ||
| 143 | A | 81.4 | Confident | 87.6 | Confident | 60 Ų | 60 | 67.8 Ų | 67.8 | 50% | 0.496 | 40% | 0.404 | S | S | . | . | trans | -72.8 | 114.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | D145 C146 | A143-D145 PolarHBondContact O-N 3.35Å; A143-C146 HydrophobicContact CB-CB 4.38Å; A143-C146 PolarHBondContact O-N 3.36Å | ||
| 144 | A | 79.4 | Confident | 87.7 | Confident | 56 Ų | 56 | 68.4 Ų | 68.4 | 46% | 0.463 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -23.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | L125 V142 | L125-A144 HydrophobicContact CD1-CB 4.08Å; V142-A144 PolarHBondContact O-N 3Å |
| 145 | D | 81.7 | Confident | 87.8 | Confident | 156 Ų | 156 | 69.8 Ų | 69.8 | 83% | 0.834 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | -7.3 | -173.3 | -61.2 | -34 | 0 | 0 | 0 | 113.9 | A143 | A143-D145 PolarHBondContact O-N 3.35Š|
| 146 | C | 84 | Confident | 87.9 | Confident | 79 Ų | 79 | 69.6 Ų | 69.6 | 53% | 0.534 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -102.4 | 140.4 | -176.4 | -65.1 | 0 | 0 | 0 | 0 | 111.6 | A143 P148 | A143-C146 HydrophobicContact CB-CB 4.38Å; A143-C146 PolarHBondContact O-N 3.36Å; C146-P148 WeakPolarHBondContact O-CD 3.36Å |
| 147 | V | 88.3 | Confident | 88 | Confident | 19 Ų | 19 | 70 Ų | 70 | 12% | 0.115 | 40% | 0.403 | C | S | . | . | P | Polyproline II helix | trans | -68.6 | 119.3 | 174.2 | -175.1 | 0 | 0 | 0 | 0 | 108.5 | E82 L83 R114 R117 M118 | E82-V147 HydrophobicContact CB-CG2 4.45Å; L83-V147 HydrophobicContact CD2-CG1 3.77Å; R114-V147 HydrophobicContact CG-CG2 3.9Å; R117-V147 HydrophobicContact CB-CG1 4.37Å; M118-V147 HydrophobicContact CG-CG2 4.34Å; M118-V147 HydrophobicContact SD-CB 4.4Å; M118-V147 HydrophobicContact SD-CG2 4.03Å |
| 148 | P | 89.1 | Confident | 88.3 | Confident | 5 Ų | 5 | 73.2 Ų | 73.2 | 3% | 0.032 | 41% | 0.414 | C | S | . | . | P | Polyproline II helix | trans | -77.1 | 151.7 | -176.7 | 32 | -35.8 | 0 | 0 | 0 | 111.4 | R117 L121 C146 Q152 L153 | R117-P148 HydrophobicContact CB-CG 4.36Å; R117-P148 WeakPolarHBondContact CD-O 3.33Å; R117-P148 PolarHBondContact NH1-O 3.15Å; L121-P148 HydrophobicContact CB-CG 4.13Å; L121-P148 HydrophobicContact CD2-CG 4.18Å; C146-P148 WeakPolarHBondContact O-CD 3.36Å; P148-Q152 HydrophobicContact CB-CB 4.26Å; P148-L153 HydrophobicContact CB-CD2 4.16Å; P148-L153 HydrophobicContact CB-CG 3.98Å; P148-L153 HydrophobicContact CG-CD1 3.99Å; P148-L153 HydrophobicContact CG-CD2 3.62Å; P148-L153 HydrophobicContact CG-CG 3.68Å |
| 149 | S | 89.4 | Confident | 88.6 | Confident | 17 Ų | 17 | 67.1 Ų | 67.1 | 12% | 0.119 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 162 | 166 | 78.7 | 0 | 0 | 0 | 0 | 110.6 | E151 Q152 L153 | S149-E151 VanDerWaalsContact C-N 3.28Å; S149-E151 PolarHBondContact O-N 3.41Å; S149-Q152 PolarHBondContact O-N 3.48Å; S149-Q152 WeakPolarHBondContact OG-CG 3.38Å; S149-Q152 PolarHBondContact OG-N 2.93Å; S149-Q152 VanDerWaalsContact OG-N 3.13Å; S149-L153 PolarHBondContact O-N 2.81Å; S149-L153 VanDerWaalsContact O-N 3.08Å |
| 150 | L | 89.3 | Confident | 88.8 | Confident | 96 Ų | 96 | 64 Ų | 64 | 50% | 0.503 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.4 | -37.8 | 176.5 | -66.4 | 176.4 | 0 | 0 | 0 | 111.9 | L153 E154 | L150-L153 PolarHBondContact O-N 3.23Å; L150-E154 WeakPolarHBondContact O-CB 3.29Å; L150-E154 PolarHBondContact O-N 3.06Å |
| 151 | E | 90.3 | Very high | 89.3 | Confident | 132 Ų | 132 | 64 Ų | 64 | 62% | 0.617 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -66.2 | -39.3 | 176.6 | -173.6 | -177 | 177.8 | 0 | 0 | 111.8 | S149 E154 N155 | S149-E151 VanDerWaalsContact C-N 3.28Å; S149-E151 PolarHBondContact O-N 3.41Å; E151-E154 PolarHBondContact O-N 3.39Å; E151-N155 WeakPolarHBondContact O-CB 3.42Å; E151-N155 VanDerWaalsContact O-CG 3.24Å; E151-N155 PolarHBondContact O-N 3.14Å; E151-N155 PolarHBondContact O-ND2 3.33Å |
| 152 | Q | 90.7 | Very high | 90 | Very high | 100 Ų | 100 | 65.9 Ų | 65.9 | 47% | 0.467 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.1 | -42 | 174.6 | -75.2 | 172.8 | -31.5 | 0 | 0 | 111.8 | P148 S149 F156 | P148-Q152 HydrophobicContact CB-CB 4.26Å; S149-Q152 PolarHBondContact O-N 3.48Å; S149-Q152 WeakPolarHBondContact OG-CG 3.38Å; S149-Q152 PolarHBondContact OG-N 2.93Å; S149-Q152 VanDerWaalsContact OG-N 3.13Å; Q152-F156 WeakPolarHBondContact O-CB 3.23Å; Q152-F156 PolarHBondContact O-N 2.93Å |
| 153 | L | 91.9 | Very high | 90.6 | Very high | 6 Ų | 6 | 65.3 Ų | 65.3 | 3% | 0.031 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64 | -42.4 | 174.8 | -74.2 | 174 | 0 | 0 | 0 | 111.8 | R117 Q120 L121 L124 P148 S149 L150 F156 Q157 | R117-L153 HydrophobicContact CB-CD1 4.14Å; R117-L153 HydrophobicContact CG-CD1 4.02Å; Q120-L153 HydrophobicContact CB-CD2 4.36Å; L121-L153 HydrophobicContact CB-CD2 4.33Å; L124-L153 HydrophobicContact CD1-CD2 3.97Å; P148-L153 HydrophobicContact CB-CD2 4.16Å; P148-L153 HydrophobicContact CB-CG 3.98Å; P148-L153 HydrophobicContact CG-CD1 3.99Å; P148-L153 HydrophobicContact CG-CD2 3.62Å; P148-L153 HydrophobicContact CG-CG 3.68Å; S149-L153 PolarHBondContact O-N 2.81Å; S149-L153 VanDerWaalsContact O-N 3.08Å; L150-L153 PolarHBondContact O-N 3.23Å; L153-F156 PolarHBondContact O-N 3.26Å; L153-Q157 WeakPolarHBondContact O-CB 3.41Å; L153-Q157 VanDerWaalsContact O-CG 3.31Å; L153-Q157 WeakPolarHBondContact O-CG 3.16Å; L153-Q157 PolarHBondContact O-N 3.14Å |
| 154 | E | 93.8 | Very high | 91.3 | Very high | 107 Ų | 107 | 66 Ų | 66 | 50% | 0.5 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64.7 | -46.2 | 178.3 | -175.5 | 173.7 | -159.7 | 0 | 0 | 111.7 | L150 E151 F156 Q157 Q158 | L150-E154 WeakPolarHBondContact O-CB 3.29Å; L150-E154 PolarHBondContact O-N 3.06Å; E151-E154 PolarHBondContact O-N 3.39Å; E154-F156 VanDerWaalsContact C-N 3.31Å; E154-F156 PolarHBondContact O-N 2.82Å; E154-Q157 WeakPolarHBondContact O-CB 3.35Å; E154-Q157 PolarHBondContact O-N 3.18Å; E154-Q158 WeakPolarHBondContact O-CG 3.28Å; E154-Q158 PolarHBondContact O-N 3.29Å |
| 155 | N | 93.8 | Very high | 92.1 | Very high | 65 Ų | 65 | 69.8 Ų | 69.8 | 35% | 0.348 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.5 | -39.5 | 176.2 | -72.2 | -24.9 | 0 | 0 | 0 | 111.9 | E151 Q158 H159 | E151-N155 WeakPolarHBondContact O-CB 3.42Å; E151-N155 VanDerWaalsContact O-CG 3.24Å; E151-N155 PolarHBondContact O-N 3.14Å; E151-N155 PolarHBondContact O-ND2 3.33Å; N155-Q158 PolarHBondContact O-N 2.89Å; N155-H159 PolarHBondContact O-N 2.77Å |
| 156 | F | 94.3 | Very high | 92.7 | Very high | 1 Ų | 1 | 63.9 Ų | 63.9 | 0% | 0.004 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -68.9 | -40.4 | 176.7 | -167.7 | -169.6 | 0 | 0 | 0 | 111.4 | L121 L124 L125 D128 Y140 Q152 L153 E154 Q158 H159 I160 | L121-F156 HydrophobicContact CD1-CD1 4.18Å; L121-F156 HydrophobicContact CD1-CE1 4.16Å; L124-F156 HydrophobicContact CB-CD1 3.61Å; L124-F156 HydrophobicContact CB-CE1 3.46Å; L124-F156 VanDerWaalsContact CB-CE1 3.46Å; L124-F156 HydrophobicContact CB-CG 4.29Å; L124-F156 HydrophobicContact CB-CZ 4.02Å; L124-F156 HydrophobicContact CD1-CB 4.34Å; L124-F156 HydrophobicContact CD1-CD1 3.92Å; L124-F156 HydrophobicContact CD1-CG 4.29Å; L124-F156 HydrophobicContact CG-CD1 4.38Å; L125-F156 HydrophobicContact CD2-CE1 3.93Å; L125-F156 HydrophobicContact CD2-CZ 4.07Å; L125-F156 HydrophobicContact CG-CE1 4.12Å; D128-F156 HydrophobicContact CB-CE2 3.89Å; D128-F156 HydrophobicContact CB-CZ 3.73Å; Y140-F156 HydrophobicContact CD1-CB 4.29Å; Y140-F156 HydrophobicContact CD1-CD1 4.26Å; Y140-F156 AromaticContact CD1-CD2 3.43Å; Y140-F156 HydrophobicContact CD1-CD2 3.43Å; Y140-F156 VanDerWaalsContact CD1-CD2 3.43Å; Y140-F156 HydrophobicContact CD1-CE1 4.47Å; Y140-F156 AromaticContact CD1-CE2 3.71Å; Y140-F156 HydrophobicContact CD1-CE2 3.71Å; Y140-F156 AromaticContact CD1-CG 3.75Å; Y140-F156 HydrophobicContact CD1-CG 3.75Å; Y140-F156 HydrophobicContact CD1-CZ 4.22Å; Y140-F156 HydrophobicContact CD2-CD2 4.47Å; Y140-F156 HydrophobicContact CE1-CB 4.03Å; Y140-F156 AromaticContact CE1-CD2 3.99Å; Y140-F156 HydrophobicContact CE1-CD2 3.99Å; Y140-F156 HydrophobicContact CE1-CG 4.02Å; Y140-F156 AromaticContact CG-CD2 3.75Å; Y140-F156 HydrophobicContact CG-CD2 3.75Å; Y140-F156 AromaticContact CG-CE2 3.75Å; Y140-F156 HydrophobicContact CG-CE2 3.75Å; Y140-F156 HydrophobicContact CG-CZ 4.49Å; Q152-F156 WeakPolarHBondContact O-CB 3.23Å; Q152-F156 PolarHBondContact O-N 2.93Å; L153-F156 PolarHBondContact O-N 3.26Å; E154-F156 VanDerWaalsContact C-N 3.31Å; E154-F156 PolarHBondContact O-N 2.82Å; F156-Q158 VanDerWaalsContact C-N 3.33Å; F156-Q158 PolarHBondContact O-N 3.19Å; F156-H159 HydrophobicContact CD2-CB 4.46Å; F156-H159 WeakPolarHBondContact O-CB 3.25Å; F156-H159 PolarHBondContact O-N 3.17Å; F156-I160 HydrophobicContact CD2-CD1 4.41Å; F156-I160 HydrophobicContact CD2-CG1 4.03Å; F156-I160 HydrophobicContact CE2-CD1 3.85Å; F156-I160 HydrophobicContact CE2-CG1 3.95Å; F156-I160 WeakPolarHBondContact O-CG1 3.26Å; F156-I160 PolarHBondContact O-N 2.79Å |
| 157 | Q | 94.9 | Very high | 93.2 | Very high | 87 Ų | 87 | 63.7 Ų | 63.7 | 41% | 0.407 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -58.4 | -44.5 | 171.9 | -77.1 | 174.3 | -2.9 | 0 | 0 | 111.9 | L124 L153 E154 H159 I160 T161 | L124-Q157 HydrophobicContact CD1-CG 3.9Å; L124-Q157 HydrophobicContact CD2-CG 3.76Å; L124-Q157 HydrophobicContact CG-CG 4.47Å; L153-Q157 WeakPolarHBondContact O-CB 3.41Å; L153-Q157 VanDerWaalsContact O-CG 3.31Å; L153-Q157 WeakPolarHBondContact O-CG 3.16Å; L153-Q157 PolarHBondContact O-N 3.14Å; E154-Q157 WeakPolarHBondContact O-CB 3.35Å; E154-Q157 PolarHBondContact O-N 3.18Å; Q157-H159 VanDerWaalsContact C-N 3.33Å; Q157-H159 PolarHBondContact O-N 2.66Å; Q157-I160 PolarHBondContact O-N 3.18Å; Q157-T161 WeakPolarHBondContact O-CG2 3.44Å; Q157-T161 PolarHBondContact O-N 3.45Å; Q157-T161 PolarHBondContact O-OG1 2.91Å |
| 158 | Q | 94.9 | Very high | 93.6 | Very high | 104 Ų | 104 | 65.8 Ų | 65.8 | 49% | 0.486 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60.8 | -42.1 | 175.7 | -71.1 | 177.2 | 15.6 | 0 | 0 | 111.7 | E154 N155 F156 T161 Q162 | E154-Q158 WeakPolarHBondContact O-CG 3.28Å; E154-Q158 PolarHBondContact O-N 3.29Å; N155-Q158 PolarHBondContact O-N 2.89Å; F156-Q158 VanDerWaalsContact C-N 3.33Å; F156-Q158 PolarHBondContact O-N 3.19Å; Q158-T161 WeakPolarHBondContact CA-OG1 3.37Å; Q158-T161 PolarHBondContact O-N 3Å; Q158-T161 PolarHBondContact O-OG1 2.79Å; Q158-Q162 PolarHBondContact O-N 3.5Å |
| 159 | H | 94.3 | Very high | 93.9 | Very high | 37 Ų | 37 | 73.5 Ų | 73.5 | 17% | 0.171 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -58.5 | -48.8 | 174.1 | -179.9 | 72.4 | 0 | 0 | 0 | 112.1 | D128 Y140 N155 F156 Q157 T161 Q162 Q163 | D128-H159 IonicContact OD1-CD2 3.73Å; D128-H159 IonicContact OD1-NE2 2.68Å; Y140-H159 HydrophobicContact CD2-CB 4.23Å; Y140-H159 AromaticContact CD2-CD2 3.63Å; Y140-H159 AromaticContact CD2-CG 3.71Å; Y140-H159 AromaticContact CD2-NE2 3.91Å; Y140-H159 HydrophobicContact CE2-CB 4.16Å; N155-H159 PolarHBondContact O-N 2.77Å; F156-H159 HydrophobicContact CD2-CB 4.46Å; F156-H159 WeakPolarHBondContact O-CB 3.25Å; F156-H159 PolarHBondContact O-N 3.17Å; Q157-H159 VanDerWaalsContact C-N 3.33Å; Q157-H159 PolarHBondContact O-N 2.66Å; H159-T161 VanDerWaalsContact C-N 3.3Å; H159-T161 PolarHBondContact O-N 3.3Å; H159-Q162 WeakPolarHBondContact O-CB 3.22Å; H159-Q162 PolarHBondContact O-N 3.29Å; H159-Q162 VanDerWaalsContact O-N 3.14Å; H159-Q163 PolarHBondContact CE1-NE2 3.45Å; H159-Q163 VanDerWaalsContact CE1-NE2 3.34Å; H159-Q163 WeakPolarHBondContact O-CG 3.46Å; H159-Q163 PolarHBondContact O-N 3.32Å |
| 160 | I | 95.5 | Very high | 94.1 | Very high | 6 Ų | 6 | 74.7 Ų | 74.7 | 3% | 0.031 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -59.8 | -40.7 | 177.2 | -65.8 | -64.9 | 0 | 0 | 0 | 111.3 | L124 Q127 D128 L131 F156 Q157 Q162 Q163 N164 | L124-I160 HydrophobicContact CD2-CG1 4.2Å; Q127-I160 HydrophobicContact CB-CD1 4.37Å; D128-I160 HydrophobicContact CB-CD1 3.74Å; L131-I160 HydrophobicContact CD1-CD1 3.98Å; L131-I160 HydrophobicContact CD1-CG2 4.08Å; F156-I160 HydrophobicContact CD2-CD1 4.41Å; F156-I160 HydrophobicContact CD2-CG1 4.03Å; F156-I160 HydrophobicContact CE2-CD1 3.85Å; F156-I160 HydrophobicContact CE2-CG1 3.95Å; F156-I160 WeakPolarHBondContact O-CG1 3.26Å; F156-I160 PolarHBondContact O-N 2.79Å; Q157-I160 PolarHBondContact O-N 3.18Å; I160-Q162 PolarHBondContact O-N 2.9Å; I160-Q163 PolarHBondContact O-N 3.37Å; I160-N164 WeakPolarHBondContact CG2-ND2 3.09Å; I160-N164 WeakPolarHBondContact O-CB 3.45Å; I160-N164 PolarHBondContact O-N 3.32Å; I160-N164 PolarHBondContact O-ND2 3.48Å |
| 161 | T | 96.4 | Very high | 94.4 | Very high | 80 Ų | 80 | 74 Ų | 74 | 49% | 0.491 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.1 | -43.8 | 175.6 | 56.3 | 0 | 0 | 0 | 0 | 111.7 | Q157 Q158 H159 Q163 N164 E165 | Q157-T161 WeakPolarHBondContact O-CG2 3.44Å; Q157-T161 PolarHBondContact O-N 3.45Å; Q157-T161 PolarHBondContact O-OG1 2.91Å; Q158-T161 WeakPolarHBondContact CA-OG1 3.37Å; Q158-T161 PolarHBondContact O-N 3Å; Q158-T161 PolarHBondContact O-OG1 2.79Å; H159-T161 VanDerWaalsContact C-N 3.3Å; H159-T161 PolarHBondContact O-N 3.3Å; T161-Q163 PolarHBondContact O-N 2.78Å; T161-N164 PolarHBondContact O-N 2.82Å; T161-E165 WeakPolarHBondContact O-CG 3.46Å; T161-E165 PolarHBondContact O-N 3.38Å |
| 162 | Q | 95.2 | Very high | 94.6 | Very high | 124 Ų | 124 | 71.5 Ų | 71.5 | 58% | 0.579 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -64.5 | -40.7 | 177.7 | -172.5 | -178 | 20.4 | 0 | 0 | 112.4 | Q158 H159 I160 E165 E166 | Q158-Q162 PolarHBondContact O-N 3.5Å; H159-Q162 WeakPolarHBondContact O-CB 3.22Å; H159-Q162 PolarHBondContact O-N 3.29Å; H159-Q162 VanDerWaalsContact O-N 3.14Å; I160-Q162 PolarHBondContact O-N 2.9Å; Q162-E165 PolarHBondContact O-N 2.99Å; Q162-E166 PolarHBondContact O-N 2.98Å |
| 163 | Q | 95.1 | Very high | 94.9 | Very high | 35 Ų | 35 | 70 Ų | 70 | 16% | 0.164 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -67.1 | -37.8 | 176.7 | -69.7 | -58.9 | -27 | 0 | 0 | 112 | L131 L135 H159 I160 T161 E166 K167 | L131-Q163 HydrophobicContact CD1-CB 3.9Å; L135-Q163 HydrophobicContact CD1-CB 4.34Å; H159-Q163 PolarHBondContact CE1-NE2 3.45Å; H159-Q163 VanDerWaalsContact CE1-NE2 3.34Å; H159-Q163 WeakPolarHBondContact O-CG 3.46Å; H159-Q163 PolarHBondContact O-N 3.32Å; I160-Q163 PolarHBondContact O-N 3.37Å; T161-Q163 PolarHBondContact O-N 2.78Å; Q163-E166 PolarHBondContact O-N 3.41Å; Q163-K167 WeakPolarHBondContact O-CB 3.37Å; Q163-K167 PolarHBondContact O-N 2.69Å |
| 164 | N | 95 | Very high | 95 | Very high | 74 Ų | 74 | 69.8 Ų | 69.8 | 40% | 0.396 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.4 | -41.9 | 173.4 | -83.5 | -62.9 | 0 | 0 | 0 | 112.3 | I160 T161 E166 K167 A168 | I160-N164 WeakPolarHBondContact CG2-ND2 3.09Å; I160-N164 WeakPolarHBondContact O-CB 3.45Å; I160-N164 PolarHBondContact O-N 3.32Å; I160-N164 PolarHBondContact O-ND2 3.48Å; T161-N164 PolarHBondContact O-N 2.82Å; N164-E166 VanDerWaalsContact C-N 3.31Å; N164-E166 PolarHBondContact O-N 2.68Å; N164-K167 PolarHBondContact O-N 2.98Å; N164-A168 WeakPolarHBondContact O-CB 3.43Å; N164-A168 PolarHBondContact O-N 3.44Å |
| 165 | E | 96.3 | Very high | 95.1 | Very high | 136 Ų | 136 | 67 Ų | 67 | 64% | 0.636 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -60.9 | -41.3 | 173.3 | -72.5 | 175.4 | 179.3 | 0 | 0 | 111.5 | T161 Q162 A168 R169 | T161-E165 WeakPolarHBondContact O-CG 3.46Å; T161-E165 PolarHBondContact O-N 3.38Å; Q162-E165 PolarHBondContact O-N 2.99Å; E165-A168 PolarHBondContact O-N 3.32Å; E165-R169 WeakPolarHBondContact O-CB 3.15Å; E165-R169 PolarHBondContact O-N 3.03Å |
| 166 | E | 94.7 | Very high | 95.2 | Very high | 32 Ų | 32 | 68.2 Ų | 68.2 | 15% | 0.15 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65.9 | -42.7 | 176 | 173 | 62.8 | 157 | 0 | 0 | 112.5 | L135 Q162 Q163 N164 A168 R169 R170 | L135-E166 HydrophobicContact CD2-CG 4.48Å; Q162-E166 PolarHBondContact O-N 2.98Å; Q163-E166 PolarHBondContact O-N 3.41Å; N164-E166 VanDerWaalsContact C-N 3.31Å; N164-E166 PolarHBondContact O-N 2.68Å; E166-A168 VanDerWaalsContact C-N 3.35Å; E166-A168 PolarHBondContact O-N 2.94Å; E166-R169 PolarHBondContact O-N 2.89Å; E166-R169 IonicContact OE1-NH2 3.32Å; E166-R169 IonicContact OE2-CZ 3.91Å; E166-R169 IonicContact OE2-NE 2.95Å; E166-R169 PolarHBondContact OE2-NE 3.06Å; E166-R169 IonicContact OE2-NH2 2.66Å; E166-R169 PolarHBondContact OE2-NH2 2.95Å; E166-R170 PolarHBondContact O-N 3.3Å; E166-R170 IonicContact OE1-CZ 3.6Å; E166-R170 IonicContact OE1-NE 3.78Å; E166-R170 PolarHBondContact OE1-NE 3.21Å; E166-R170 IonicContact OE1-NH2 3.31Å; E166-R170 PolarHBondContact OE1-NH2 3.5Å |
| 167 | K | 94.6 | Very high | 95.2 | Very high | 75 Ų | 75 | 69 Ų | 69 | 33% | 0.326 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -57.4 | -48 | 173 | 178.5 | 177.6 | 173.2 | 175.6 | 0 | 111.1 | L131 V134 L135 Q163 N164 R169 R170 Y171 L210 | L131-K167 HydrophobicContact CD2-CB 4.41Å; L131-K167 HydrophobicContact CD2-CD 3.79Å; V134-K167 HydrophobicContact CG1-CD 4.39Å; L135-K167 HydrophobicContact CD1-CB 4.36Å; L135-K167 HydrophobicContact CD2-CB 4.15Å; L135-K167 HydrophobicContact CG-CB 4.47Å; Q163-K167 WeakPolarHBondContact O-CB 3.37Å; Q163-K167 PolarHBondContact O-N 2.69Å; N164-K167 PolarHBondContact O-N 2.98Å; K167-R169 VanDerWaalsContact C-N 3.33Å; K167-R169 PolarHBondContact O-N 2.77Å; K167-R170 PolarHBondContact O-N 3.21Å; K167-Y171 WeakPolarHBondContact O-CB 3.44Å; K167-Y171 PolarHBondContact O-N 3.22Å; K167-L210 HydrophobicContact CG-CD1 4.26Å |
| 168 | A | 95.3 | Very high | 95.2 | Very high | 63 Ų | 63 | 65.4 Ų | 65.4 | 52% | 0.521 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61 | -42.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | N164 E165 E166 S172 | N164-A168 WeakPolarHBondContact O-CB 3.43Å; N164-A168 PolarHBondContact O-N 3.44Å; E165-A168 PolarHBondContact O-N 3.32Å; E166-A168 VanDerWaalsContact C-N 3.35Å; E166-A168 PolarHBondContact O-N 2.94Å; A168-S172 PolarHBondContact O-N 3.46Å |
| 169 | R | 95.9 | Very high | 95.2 | Very high | 166 Ų | 166 | 66.3 Ų | 66.3 | 63% | 0.626 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -61.8 | -51.5 | 176.1 | 175.1 | 171.6 | 55.7 | -169.4 | -6.6 | 112.2 | E165 E166 K167 Y171 S172 E173 | E165-R169 WeakPolarHBondContact O-CB 3.15Å; E165-R169 PolarHBondContact O-N 3.03Å; E166-R169 PolarHBondContact O-N 2.89Å; E166-R169 IonicContact OE1-NH2 3.32Å; E166-R169 IonicContact OE2-CZ 3.91Å; E166-R169 IonicContact OE2-NE 2.95Å; E166-R169 PolarHBondContact OE2-NE 3.06Å; E166-R169 IonicContact OE2-NH2 2.66Å; E166-R169 PolarHBondContact OE2-NH2 2.95Å; K167-R169 VanDerWaalsContact C-N 3.33Å; K167-R169 PolarHBondContact O-N 2.77Å; R169-Y171 VanDerWaalsContact C-N 3.35Å; R169-S172 PolarHBondContact O-N 3.11Å; R169-E173 PolarHBondContact O-N 2.78Å |
| 170 | R | 95 | Very high | 95.3 | Very high | 43 Ų | 43 | 67.8 Ų | 67.8 | 16% | 0.162 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -66.2 | -36.9 | -179.6 | -71.4 | -170.3 | -170.1 | 167.1 | 10.4 | 112.5 | L135 E166 K167 E173 F174 L210 | L135-R170 PolarHBondContact O-NH1 3.13Å; E166-R170 PolarHBondContact O-N 3.3Å; E166-R170 IonicContact OE1-CZ 3.6Å; E166-R170 IonicContact OE1-NE 3.78Å; E166-R170 PolarHBondContact OE1-NE 3.21Å; E166-R170 IonicContact OE1-NH2 3.31Å; E166-R170 PolarHBondContact OE1-NH2 3.5Å; K167-R170 PolarHBondContact O-N 3.21Å; R170-E173 PolarHBondContact O-N 3.42Å; R170-F174 WeakPolarHBondContact O-CB 3.36Å; R170-F174 PolarHBondContact O-N 3.28Å; R170-L210 HydrophobicContact CB-CB 4.29Å; R170-L210 HydrophobicContact CB-CD1 4.49Å; R170-L210 VanDerWaalsContact CD-O 3.23Å; R170-L210 WeakPolarHBondContact CD-O 3.35Å; R170-L210 PolarHBondContact NH1-O 2.94Å |
| 171 | Y | 94.4 | Very high | 95.4 | Very high | 81 Ų | 81 | 67.5 Ų | 67.5 | 32% | 0.318 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.6 | -46.6 | 175.4 | -176.4 | -95.5 | 0 | 0 | 0 | 110.9 | K167 R169 E173 F174 T175 E205 L210 | K167-Y171 WeakPolarHBondContact O-CB 3.44Å; K167-Y171 PolarHBondContact O-N 3.22Å; R169-Y171 VanDerWaalsContact C-N 3.35Å; Y171-E173 VanDerWaalsContact C-N 3.3Å; Y171-E173 PolarHBondContact O-N 2.83Å; Y171-F174 WeakPolarHBondContact O-CB 3.39Å; Y171-F174 PolarHBondContact O-N 2.99Å; Y171-T175 PolarHBondContact O-N 3.49Å; Y171-T175 PolarHBondContact O-OG1 3.33Å; Y171-T175 VanDerWaalsContact O-OG1 3.08Å; Y171-E205 HydrophobicContact CE2-CB 4.22Å; Y171-E205 PolarHBondContact OH-OE2 3.08Å; Y171-E205 VanDerWaalsContact OH-OE2 3.08Å; Y171-L210 HydrophobicContact CD2-CD1 4.3Å |
| 172 | S | 95.2 | Very high | 95.3 | Very high | 79 Ų | 79 | 65.9 Ų | 65.9 | 55% | 0.552 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -59.9 | -39.8 | 175 | -176.7 | 0 | 0 | 0 | 0 | 112.7 | A168 R169 E176 | A168-S172 PolarHBondContact O-N 3.46Å; R169-S172 PolarHBondContact O-N 3.11Å; S172-E176 PolarHBondContact O-N 3.4Å |
| 173 | E | 95.8 | Very high | 95.2 | Very high | 68 Ų | 68 | 64.5 Ų | 64.5 | 32% | 0.318 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -66.4 | -43.1 | 175.8 | -178.5 | 170.6 | -148.3 | 0 | 0 | 111.6 | R169 R170 Y171 E176 L177 I215 K219 | R169-E173 PolarHBondContact O-N 2.78Å; R170-E173 PolarHBondContact O-N 3.42Å; Y171-E173 VanDerWaalsContact C-N 3.3Å; Y171-E173 PolarHBondContact O-N 2.83Å; E173-E176 PolarHBondContact O-N 2.9Å; E173-L177 HydrophobicContact CG-CD1 3.91Å; E173-L177 HydrophobicContact CG-CG 4.42Å; E173-L177 WeakPolarHBondContact O-CB 3.34Å; E173-L177 VanDerWaalsContact O-CG 3.25Å; E173-L177 WeakPolarHBondContact O-CG 3.48Å; E173-L177 PolarHBondContact O-N 3.29Å; E173-I215 HydrophobicContact CG-CG2 4.45Å; E173-K219 WeakPolarHBondContact OE1-CE 3.31Å; E173-K219 IonicContact OE1-NZ 3.18Å; E173-K219 PolarHBondContact OE1-NZ 3.45Å |
| 174 | F | 95.4 | Very high | 95.2 | Very high | 2 Ų | 2 | 63.7 Ų | 63.7 | 1% | 0.009 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59.1 | -51.8 | 175.6 | 165.5 | -114.3 | 0 | 0 | 0 | 112.1 | R170 Y171 E176 L177 K178 E205 F208 L210 I215 L218 | R170-F174 WeakPolarHBondContact O-CB 3.36Å; R170-F174 PolarHBondContact O-N 3.28Å; Y171-F174 WeakPolarHBondContact O-CB 3.39Å; Y171-F174 PolarHBondContact O-N 2.99Å; F174-E176 VanDerWaalsContact C-N 3.29Å; F174-E176 PolarHBondContact O-N 3.4Å; F174-L177 PolarHBondContact O-N 3.47Å; F174-K178 HydrophobicContact CE1-CD 4.34Å; F174-K178 HydrophobicContact CE2-CB 4.36Å; F174-K178 HydrophobicContact CE2-CD 4.47Å; F174-K178 HydrophobicContact CZ-CD 3.96Å; F174-K178 VanDerWaalsContact O-CB 3.23Å; F174-K178 WeakPolarHBondContact O-CB 3.36Å; F174-K178 PolarHBondContact O-N 3.19Å; F174-E205 HydrophobicContact CE1-CB 4.14Å; F174-E205 HydrophobicContact CE1-CG 4.17Å; F174-F208 AromaticContact CD2-CD1 3.87Å; F174-F208 HydrophobicContact CD2-CD1 3.87Å; F174-F208 AromaticContact CD2-CE1 3.9Å; F174-F208 HydrophobicContact CD2-CE1 3.9Å; F174-F208 HydrophobicContact CE1-CB 4.29Å; F174-F208 HydrophobicContact CE1-CD1 4.46Å; F174-F208 HydrophobicContact CE2-CB 4.39Å; F174-F208 AromaticContact CE2-CD1 3.64Å; F174-F208 HydrophobicContact CE2-CD1 3.64Å; F174-F208 HydrophobicContact CE2-CD2 4.22Å; F174-F208 AromaticContact CE2-CE1 3.87Å; F174-F208 HydrophobicContact CE2-CE1 3.87Å; F174-F208 HydrophobicContact CE2-CE2 4.42Å; F174-F208 AromaticContact CE2-CG 3.82Å; F174-F208 HydrophobicContact CE2-CG 3.82Å; F174-F208 HydrophobicContact CE2-CZ 4.25Å; F174-F208 HydrophobicContact CG-CD1 4.35Å; F174-F208 HydrophobicContact CZ-CB 3.89Å; F174-F208 AromaticContact CZ-CD1 3.96Å; F174-F208 HydrophobicContact CZ-CD1 3.96Å; F174-F208 HydrophobicContact CZ-CD2 4.41Å; F174-F208 AromaticContact CZ-CG 3.83Å; F174-F208 HydrophobicContact CZ-CG 3.83Å; F174-L210 HydrophobicContact CB-CD2 3.86Å; F174-L210 HydrophobicContact CD1-CD2 4.27Å; F174-L210 HydrophobicContact CG-CD2 4.1Å; F174-I215 HydrophobicContact CB-CD1 4.12Å; F174-L218 HydrophobicContact CD2-CD1 3.53Å; F174-L218 HydrophobicContact CD2-CD2 4.5Å; F174-L218 HydrophobicContact CE2-CD1 4.13Å |
| 175 | T | 94.3 | Very high | 95.1 | Very high | 48 Ų | 48 | 60.6 Ų | 60.6 | 29% | 0.294 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.9 | -39.6 | -178.4 | -53.5 | 0 | 0 | 0 | 0 | 111.6 | Y171 K179 | Y171-T175 PolarHBondContact O-N 3.49Å; Y171-T175 PolarHBondContact O-OG1 3.33Å; Y171-T175 VanDerWaalsContact O-OG1 3.08Å; T175-K179 WeakPolarHBondContact O-CB 3.32Å; T175-K179 PolarHBondContact O-N 2.71Å |
| 176 | E | 95.8 | Very high | 94.9 | Very high | 91 Ų | 91 | 59.9 Ų | 59.9 | 43% | 0.425 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -68.2 | -46.1 | 177.1 | -176.1 | 55.9 | -145.7 | 0 | 0 | 111.7 | S172 E173 F174 K179 Q180 | S172-E176 PolarHBondContact O-N 3.4Å; E173-E176 PolarHBondContact O-N 2.9Å; F174-E176 VanDerWaalsContact C-N 3.29Å; F174-E176 PolarHBondContact O-N 3.4Å; E176-K179 PolarHBondContact O-N 3Å; E176-Q180 WeakPolarHBondContact O-CG 3.39Å; E176-Q180 PolarHBondContact O-N 3.44Å; E176-Q180 VanDerWaalsContact O-N 3.1Å; E176-Q180 PolarHBondContact OE1-NE2 3.1Å |
| 177 | L | 95.8 | Very high | 94.6 | Very high | 18 Ų | 18 | 62 Ų | 62 | 9% | 0.094 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.8 | -44.5 | 175.9 | -71.4 | 173.3 | 0 | 0 | 0 | 111.7 | E173 F174 K179 Q180 I181 L218 K219 L222 | E173-L177 HydrophobicContact CG-CD1 3.91Å; E173-L177 HydrophobicContact CG-CG 4.42Å; E173-L177 WeakPolarHBondContact O-CB 3.34Å; E173-L177 VanDerWaalsContact O-CG 3.25Å; E173-L177 WeakPolarHBondContact O-CG 3.48Å; E173-L177 PolarHBondContact O-N 3.29Å; F174-L177 PolarHBondContact O-N 3.47Å; L177-K179 VanDerWaalsContact C-N 3.33Å; L177-K179 PolarHBondContact O-N 2.81Å; L177-Q180 PolarHBondContact O-N 3.49Å; L177-I181 WeakPolarHBondContact O-CB 3.48Å; L177-I181 VanDerWaalsContact O-CG1 3.27Å; L177-I181 WeakPolarHBondContact O-CG1 3.49Å; L177-I181 PolarHBondContact O-N 3.29Å; L177-L218 HydrophobicContact CD1-CB 4.12Å; L177-K219 HydrophobicContact CD1-CG 3.84Å; L177-K219 HydrophobicContact CD2-CG 4.37Å; L177-L222 HydrophobicContact CD2-CD2 3.56Å |
| 178 | K | 94.9 | Very high | 94.4 | Very high | 12 Ų | 12 | 59.2 Ų | 59.2 | 5% | 0.052 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -56.2 | -47.8 | 176.6 | 176.2 | -179.3 | 178 | -175.6 | 0 | 110.8 | F174 Q180 I181 I182 V200 S202 E205 | F174-K178 HydrophobicContact CE1-CD 4.34Å; F174-K178 HydrophobicContact CE2-CB 4.36Å; F174-K178 HydrophobicContact CE2-CD 4.47Å; F174-K178 HydrophobicContact CZ-CD 3.96Å; F174-K178 VanDerWaalsContact O-CB 3.23Å; F174-K178 WeakPolarHBondContact O-CB 3.36Å; F174-K178 PolarHBondContact O-N 3.19Å; K178-Q180 PolarHBondContact O-N 3.09Å; K178-I181 PolarHBondContact O-N 3.4Å; K178-I182 HydrophobicContact CD-CD1 4.49Å; K178-I182 HydrophobicContact CG-CD1 3.78Å; K178-I182 HydrophobicContact CG-CG1 4.47Å; K178-I182 VanDerWaalsContact O-CG1 3.28Å; K178-I182 WeakPolarHBondContact O-CG1 3.33Å; K178-I182 PolarHBondContact O-N 2.73Å; K178-V200 WeakPolarHBondContact CD-O 3.48Å; K178-V200 WeakPolarHBondContact CE-O 3.46Å; K178-V200 HydrophobicContact CG-CG1 4.49Å; K178-V200 WeakPolarHBondContact CG-O 3.44Å; K178-S202 WeakPolarHBondContact CE-O 3.48Å; K178-S202 PolarHBondContact NZ-O 3.49Å; K178-E205 HydrophobicContact CD-CG 4.41Å; K178-E205 IonicContact NZ-OE1 3.64Å; K178-E205 PolarHBondContact NZ-OE1 3.03Å |
| 179 | K | 95.2 | Very high | 94 | Very high | 122 Ų | 122 | 59.1 Ų | 59.1 | 53% | 0.53 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59.4 | -44.8 | 177.6 | -178.3 | -175.3 | 172.2 | -168 | 0 | 111.9 | T175 E176 L177 L183 | T175-K179 WeakPolarHBondContact O-CB 3.32Å; T175-K179 PolarHBondContact O-N 2.71Å; E176-K179 PolarHBondContact O-N 3Å; L177-K179 VanDerWaalsContact C-N 3.33Å; L177-K179 PolarHBondContact O-N 2.81Å; K179-L183 HydrophobicContact CG-CD1 4.38Å; K179-L183 VanDerWaalsContact O-CG 3.32Å; K179-L183 WeakPolarHBondContact O-CG 3.44Å; K179-L183 PolarHBondContact O-N 2.93Å; K179-L183 VanDerWaalsContact O-N 3.12Å |
| 180 | Q | 96.6 | Very high | 93.7 | Very high | 68 Ų | 68 | 53.8 Ų | 53.8 | 32% | 0.318 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65.3 | -43.1 | 178.2 | -68.3 | 175.5 | 26.6 | 0 | 0 | 112 | E176 L177 K178 L183 L184 L222 | E176-Q180 WeakPolarHBondContact O-CG 3.39Å; E176-Q180 PolarHBondContact O-N 3.44Å; E176-Q180 VanDerWaalsContact O-N 3.1Å; E176-Q180 PolarHBondContact OE1-NE2 3.1Å; L177-Q180 PolarHBondContact O-N 3.49Å; K178-Q180 PolarHBondContact O-N 3.09Å; Q180-L183 PolarHBondContact O-N 3.42Å; Q180-L184 WeakPolarHBondContact O-CG 3.28Å; Q180-L184 PolarHBondContact O-N 3.24Å; Q180-L222 HydrophobicContact CB-CD1 3.99Å |
| 181 | I | 96 | Very high | 93.4 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.1 | -48.4 | 176.6 | -72.5 | 165.8 | 0 | 0 | 0 | 110.5 | L177 K178 L183 L184 M185 V200 L218 L221 L222 L225 | L177-I181 WeakPolarHBondContact O-CB 3.48Å; L177-I181 VanDerWaalsContact O-CG1 3.27Å; L177-I181 WeakPolarHBondContact O-CG1 3.49Å; L177-I181 PolarHBondContact O-N 3.29Å; K178-I181 PolarHBondContact O-N 3.4Å; I181-L183 VanDerWaalsContact C-N 3.34Å; I181-L183 PolarHBondContact O-N 3.42Å; I181-L184 PolarHBondContact O-N 3.38Å; I181-M185 HydrophobicContact CG2-CG 4.2Å; I181-M185 HydrophobicContact CG2-SD 3.65Å; I181-M185 WeakPolarHBondContact O-CB 3.37Å; I181-M185 VanDerWaalsContact O-CG 3.24Å; I181-M185 WeakPolarHBondContact O-CG 3.36Å; I181-M185 PolarHBondContact O-N 3.01Å; I181-V200 HydrophobicContact CD1-CG1 4.33Å; I181-V200 HydrophobicContact CG2-CG1 4.44Å; I181-L218 HydrophobicContact CD1-CD2 3.67Å; I181-L221 HydrophobicContact CD1-CD2 4.18Å; I181-L221 HydrophobicContact CD1-CG 4.38Å; I181-L221 HydrophobicContact CG2-CD2 4.21Å; I181-L222 HydrophobicContact CD1-CB 4.43Å; I181-L222 HydrophobicContact CG1-CB 4.1Å; I181-L222 HydrophobicContact CG1-CD1 4.09Å; I181-L225 HydrophobicContact CB-CD1 4.42Å; I181-L225 HydrophobicContact CG1-CD1 4.43Å; I181-L225 HydrophobicContact CG2-CD1 3.86Å |
| 182 | I | 94.6 | Very high | 93.3 | Very high | 46 Ų | 46 | 57.5 Ų | 57.5 | 24% | 0.236 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.1 | -46.5 | 179 | -69.2 | 167.6 | 0 | 0 | 0 | 110.6 | K178 L184 M185 E186 V201 | K178-I182 HydrophobicContact CD-CD1 4.49Å; K178-I182 HydrophobicContact CG-CD1 3.78Å; K178-I182 HydrophobicContact CG-CG1 4.47Å; K178-I182 VanDerWaalsContact O-CG1 3.28Å; K178-I182 WeakPolarHBondContact O-CG1 3.33Å; K178-I182 PolarHBondContact O-N 2.73Å; I182-L184 VanDerWaalsContact C-N 3.34Å; I182-L184 PolarHBondContact O-N 3.2Å; I182-M185 PolarHBondContact O-N 2.86Å; I182-E186 HydrophobicContact CG2-CG 4.48Å; I182-E186 WeakPolarHBondContact O-CG 3.5Å; I182-E186 PolarHBondContact O-N 3.34Å; I182-V201 HydrophobicContact CG1-CG2 4.35Å |
| 183 | L | 93.9 | Very high | 93 | Very high | 95 Ų | 95 | 60.7 Ų | 60.7 | 50% | 0.497 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.6 | -42.1 | 178.1 | -71.9 | 172 | 0 | 0 | 0 | 112.5 | K179 Q180 I181 E187 | K179-L183 HydrophobicContact CG-CD1 4.38Å; K179-L183 VanDerWaalsContact O-CG 3.32Å; K179-L183 WeakPolarHBondContact O-CG 3.44Å; K179-L183 PolarHBondContact O-N 2.93Å; K179-L183 VanDerWaalsContact O-N 3.12Å; Q180-L183 PolarHBondContact O-N 3.42Å; I181-L183 VanDerWaalsContact C-N 3.34Å; I181-L183 PolarHBondContact O-N 3.42Å; L183-E187 WeakPolarHBondContact O-CB 3.34Å; L183-E187 PolarHBondContact O-N 3.41Å |
| 184 | L | 93.8 | Very high | 92.8 | Very high | 18 Ų | 18 | 60.5 Ų | 60.5 | 9% | 0.094 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -69.5 | -38.8 | 177 | -73.2 | 169.9 | 0 | 0 | 0 | 112.2 | Q180 I181 I182 E186 E187 L188 L222 L225 E226 K229 | Q180-L184 WeakPolarHBondContact O-CG 3.28Å; Q180-L184 PolarHBondContact O-N 3.24Å; I181-L184 PolarHBondContact O-N 3.38Å; I182-L184 VanDerWaalsContact C-N 3.34Å; I182-L184 PolarHBondContact O-N 3.2Å; L184-E186 VanDerWaalsContact C-N 3.34Å; L184-E187 PolarHBondContact O-N 3.37Å; L184-L188 VanDerWaalsContact O-CB 3.32Å; L184-L188 WeakPolarHBondContact O-CB 3.36Å; L184-L188 VanDerWaalsContact O-CG 3.24Å; L184-L188 WeakPolarHBondContact O-CG 3.11Å; L184-L188 PolarHBondContact O-N 2.92Å; L184-L222 HydrophobicContact CD1-CD1 3.44Å; L184-L222 VanDerWaalsContact CD1-CD1 3.44Å; L184-L225 HydrophobicContact CB-CB 4.23Å; L184-L225 HydrophobicContact CB-CD1 4.48Å; L184-L225 HydrophobicContact CD1-CB 4.18Å; L184-E226 HydrophobicContact CD1-CG 3.7Å; L184-K229 HydrophobicContact CD2-CD 3.73Å |
| 185 | M | 93.6 | Very high | 92.5 | Very high | 9 Ų | 9 | 64.8 Ų | 64.8 | 4% | 0.044 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.6 | -42.6 | 175.3 | -71.3 | 178.4 | 80.8 | 0 | 0 | 111 | I181 I182 L188 D189 H190 P192 V201 L225 | I181-M185 HydrophobicContact CG2-CG 4.2Å; I181-M185 HydrophobicContact CG2-SD 3.65Å; I181-M185 WeakPolarHBondContact O-CB 3.37Å; I181-M185 VanDerWaalsContact O-CG 3.24Å; I181-M185 WeakPolarHBondContact O-CG 3.36Å; I181-M185 PolarHBondContact O-N 3.01Å; I182-M185 PolarHBondContact O-N 2.86Å; M185-L188 PolarHBondContact O-N 3.33Å; M185-D189 PolarHBondContact O-N 3.11Å; M185-D189 VanDerWaalsContact O-N 3.09Å; M185-H190 PolarHBondContact O-N 3.23Å; M185-P192 HydrophobicContact CE-CB 3.99Å; M185-P192 HydrophobicContact CE-CG 3.64Å; M185-V201 HydrophobicContact CE-CG2 4.26Å; M185-V201 HydrophobicContact SD-CG2 3.82Å; M185-L225 HydrophobicContact CG-CD1 3.8Å; M185-L225 HydrophobicContact CG-CD2 4.32Å |
| 186 | E | 91.5 | Very high | 92.4 | Very high | 121 Ų | 121 | 64.8 Ų | 64.8 | 57% | 0.565 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -63.2 | -41.9 | 173.5 | -73.3 | 177.2 | -177.8 | 0 | 0 | 112.5 | I182 L184 L188 D189 | I182-E186 HydrophobicContact CG2-CG 4.48Å; I182-E186 WeakPolarHBondContact O-CG 3.5Å; I182-E186 PolarHBondContact O-N 3.34Å; L184-E186 VanDerWaalsContact C-N 3.34Å; E186-L188 VanDerWaalsContact C-N 3.34Å; E186-L188 PolarHBondContact O-N 3.46Å; E186-D189 PolarHBondContact O-N 2.8Å |
| 187 | E | 89.4 | Confident | 92.3 | Very high | 76 Ų | 76 | 61.5 Ų | 61.5 | 36% | 0.355 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -68.1 | -34.5 | 179.6 | -171.2 | 175.6 | -176.1 | 0 | 0 | 112.8 | L183 L184 D189 K229 | L183-E187 WeakPolarHBondContact O-CB 3.34Å; L183-E187 PolarHBondContact O-N 3.41Å; L184-E187 PolarHBondContact O-N 3.37Å; E187-D189 VanDerWaalsContact C-N 3.32Å; E187-K229 VanDerWaalsContact CD-CE 3.5Å; E187-K229 WeakPolarHBondContact OE1-CE 3.41Å; E187-K229 IonicContact OE1-NZ 2.76Å; E187-K229 PolarHBondContact OE1-NZ 3.18Å; E187-K229 WeakPolarHBondContact OE2-CE 3.38Å; E187-K229 IonicContact OE2-NZ 3.54Å; E187-K229 PolarHBondContact OE2-NZ 3.1Å |
| 188 | L | 89.4 | Confident | 92.1 | Very high | 18 Ų | 18 | 66 Ų | 66 | 9% | 0.094 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -4.2 | 177.5 | -67.1 | 173 | 0 | 0 | 0 | 113.5 | L184 M185 E186 H190 L225 R228 K229 | L184-L188 VanDerWaalsContact O-CB 3.32Å; L184-L188 WeakPolarHBondContact O-CB 3.36Å; L184-L188 VanDerWaalsContact O-CG 3.24Å; L184-L188 WeakPolarHBondContact O-CG 3.11Å; L184-L188 PolarHBondContact O-N 2.92Å; M185-L188 PolarHBondContact O-N 3.33Å; E186-L188 VanDerWaalsContact C-N 3.34Å; E186-L188 PolarHBondContact O-N 3.46Å; L188-H190 HydrophobicContact CB-CB 4.16Å; L188-H190 PolarHBondContact O-N 3.24Å; L188-L225 HydrophobicContact CD1-CB 4.36Å; L188-L225 HydrophobicContact CD1-CD2 4.08Å; L188-R228 HydrophobicContact CD1-CB 4.42Å; L188-K229 HydrophobicContact CD2-CB 3.99Å; L188-K229 HydrophobicContact CD2-CG 4.45Å |
| 189 | D | 88.5 | Confident | 91.8 | Very high | 61 Ų | 61 | 69.8 Ų | 69.8 | 33% | 0.326 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | 36.7 | -168.4 | -59.3 | -55.2 | 0 | 0 | 0 | 111.6 | M185 E186 E187 R269 | M185-D189 PolarHBondContact O-N 3.11Å; M185-D189 VanDerWaalsContact O-N 3.09Å; E186-D189 PolarHBondContact O-N 2.8Å; E187-D189 VanDerWaalsContact C-N 3.32Å; D189-R269 HydrophobicContact CB-CB 4.36Å |
| 190 | H | 88.3 | Confident | 91.6 | Very high | 54 Ų | 54 | 64 Ų | 64 | 25% | 0.25 | 32% | 0.322 | C | S | . | . | trans | -92.5 | 131.3 | -179 | -178.8 | 60.2 | 0 | 0 | 0 | 110.8 | M185 L188 E197 | M185-H190 PolarHBondContact O-N 3.23Å; L188-H190 HydrophobicContact CB-CB 4.16Å; L188-H190 PolarHBondContact O-N 3.24Å; H190-E197 IonicContact CD2-OE2 3.61Å; H190-E197 IonicContact CE1-OE2 3.15Å; H190-E197 IonicContact NE2-OE2 2.67Å; H190-E197 PolarHBondContact NE2-OE2 2.91Å | ||
| 191 | F | 89 | Confident | 91.2 | Very high | 161 Ų | 161 | 63.2 Ų | 63.2 | 71% | 0.706 | 32% | 0.322 | S | S | * | . | trans | -100 | 144.1 | 178.5 | -63.9 | -81.6 | 0 | 0 | 0 | 110.6 | E193 | F191-E193 PolarHBondContact O-N 2.88Š| ||
| 192 | P | 91.4 | Very high | 90.7 | Very high | 40 Ų | 40 | 65.2 Ų | 65.2 | 26% | 0.26 | 34% | 0.336 | S | S | . | . | trans | -59.5 | 110.5 | 177.4 | -16.3 | 25.1 | 0 | 0 | 0 | 111.5 | M185 E197 K198 V201 | M185-P192 HydrophobicContact CE-CB 3.99Å; M185-P192 HydrophobicContact CE-CG 3.64Å; P192-E197 WeakPolarHBondContact CA-OE2 3.29Å; P192-E197 HydrophobicContact CB-CB 3.86Å; P192-K198 HydrophobicContact CB-CG 3.8Å; P192-K198 WeakPolarHBondContact O-CE 3.3Å; P192-V201 HydrophobicContact CG-CB 4.14Å; P192-V201 HydrophobicContact CG-CG1 4.18Å; P192-V201 HydrophobicContact CG-CG2 4.05Å | ||
| 193 | E | 89.4 | Confident | 90 | Very high | 146 Ų | 146 | 72.4 Ų | 72.4 | 68% | 0.682 | 37% | 0.369 | S | S | * | . | trans | -96.7 | -47.1 | -178 | -71.2 | -174 | 177.4 | 0 | 0 | 111.5 | F191 E197 K198 | F191-E193 PolarHBondContact O-N 2.88Å; E193-E197 PolarHBondContact N-OE2 2.97Å; E193-E197 VanDerWaalsContact N-OE2 3.08Å; E193-K198 WeakPolarHBondContact O-CE 3.32Å; E193-K198 PolarHBondContact O-NZ 2.87Å; E193-K198 VanDerWaalsContact O-NZ 3.11Å | ||
| 194 | T | 91.6 | Very high | 89.5 | Confident | 65 Ų | 65 | 72.3 Ų | 72.3 | 40% | 0.399 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -75.6 | 155.7 | -177.8 | 65.5 | 0 | 0 | 0 | 0 | 111.6 | F196 E197 K198 | T194-F196 PolarHBondContact O-N 3.47Å; T194-E197 VanDerWaalsContact CG2-OE1 3.31Å; T194-E197 WeakPolarHBondContact CG2-OE1 3.35Å; T194-E197 PolarHBondContact O-N 3.08Å; T194-E197 WeakPolarHBondContact OG1-CB 3.23Å; T194-E197 WeakPolarHBondContact OG1-CG 3.37Å; T194-E197 PolarHBondContact OG1-N 3.27Å; T194-E197 VanDerWaalsContact OG1-N 3.13Å; T194-E197 PolarHBondContact OG1-OE1 3.31Å; T194-K198 WeakPolarHBondContact O-CG 3.35Å; T194-K198 PolarHBondContact O-N 2.75Å; T194-K198 VanDerWaalsContact O-N 3.14Å |
| 195 | S | 90.5 | Very high | 88.9 | Confident | 92 Ų | 92 | 74 Ų | 74 | 64% | 0.643 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -58.5 | -40.1 | 173.6 | 54.3 | 0 | 0 | 0 | 0 | 111 | K198 D199 | S195-K198 WeakPolarHBondContact O-CB 3.42Å; S195-K198 PolarHBondContact O-N 3.17Å; S195-D199 PolarHBondContact O-N 3.19Å |
| 196 | F | 91.4 | Very high | 88.2 | Confident | 48 Ų | 48 | 79.9 Ų | 79.9 | 21% | 0.211 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -62.6 | -47.4 | 178.1 | -174.7 | -102.5 | 0 | 0 | 0 | 112.5 | T194 K198 D199 V200 F208 S217 L218 L221 | T194-F196 PolarHBondContact O-N 3.47Å; F196-K198 VanDerWaalsContact C-N 3.27Å; F196-K198 PolarHBondContact O-N 3.3Å; F196-D199 PolarHBondContact O-N 3.2Å; F196-V200 HydrophobicContact CD1-CG2 4.18Å; F196-V200 HydrophobicContact CE1-CG2 3.88Å; F196-V200 HydrophobicContact CE2-CG2 4.45Å; F196-V200 HydrophobicContact CZ-CG2 4.03Å; F196-V200 VanDerWaalsContact O-CG2 3.29Å; F196-V200 WeakPolarHBondContact O-CG2 3.41Å; F196-V200 PolarHBondContact O-N 3.27Å; F196-F208 HydrophobicContact CE2-CE2 4.16Å; F196-F208 HydrophobicContact CE2-CZ 4.11Å; F196-F208 HydrophobicContact CZ-CZ 4.36Å; F196-S217 VanDerWaalsContact CZ-CB 3.48Å; F196-L218 HydrophobicContact CE1-CG 4.43Å; F196-L218 HydrophobicContact CZ-CG 3.99Å; F196-L221 HydrophobicContact CD1-CD2 4.35Å; F196-L221 HydrophobicContact CE1-CD2 4.3Å |
| 197 | E | 92.9 | Very high | 87.8 | Confident | 21 Ų | 21 | 77.3 Ų | 77.3 | 10% | 0.098 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -59.8 | -39.1 | 176 | -75.7 | 159 | -124.9 | 0 | 0 | 112.1 | H190 P192 E193 T194 V200 V201 L221 | H190-E197 IonicContact CD2-OE2 3.61Å; H190-E197 IonicContact CE1-OE2 3.15Å; H190-E197 IonicContact NE2-OE2 2.67Å; H190-E197 PolarHBondContact NE2-OE2 2.91Å; P192-E197 WeakPolarHBondContact CA-OE2 3.29Å; P192-E197 HydrophobicContact CB-CB 3.86Å; E193-E197 PolarHBondContact N-OE2 2.97Å; E193-E197 VanDerWaalsContact N-OE2 3.08Å; T194-E197 VanDerWaalsContact CG2-OE1 3.31Å; T194-E197 WeakPolarHBondContact CG2-OE1 3.35Å; T194-E197 PolarHBondContact O-N 3.08Å; T194-E197 WeakPolarHBondContact OG1-CB 3.23Å; T194-E197 WeakPolarHBondContact OG1-CG 3.37Å; T194-E197 PolarHBondContact OG1-N 3.27Å; T194-E197 VanDerWaalsContact OG1-N 3.13Å; T194-E197 PolarHBondContact OG1-OE1 3.31Å; E197-V200 PolarHBondContact O-N 3.36Å; E197-V201 WeakPolarHBondContact O-CB 3.33Å; E197-V201 VanDerWaalsContact O-CG2 3.31Å; E197-V201 WeakPolarHBondContact O-CG2 3.49Å; E197-V201 PolarHBondContact O-N 3.19Å; E197-L221 HydrophobicContact CG-CD1 4.04Å; E197-L221 HydrophobicContact CG-CD2 3.81Å |
| 198 | K | 91.5 | Very high | 87.8 | Confident | 113 Ų | 113 | 74.4 Ų | 74.4 | 49% | 0.491 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -64 | -42 | 177 | -70.6 | 168 | -176.1 | 163.5 | 0 | 111.7 | P192 E193 T194 S195 F196 V201 S202 | P192-K198 HydrophobicContact CB-CG 3.8Å; P192-K198 WeakPolarHBondContact O-CE 3.3Å; E193-K198 WeakPolarHBondContact O-CE 3.32Å; E193-K198 PolarHBondContact O-NZ 2.87Å; E193-K198 VanDerWaalsContact O-NZ 3.11Å; T194-K198 WeakPolarHBondContact O-CG 3.35Å; T194-K198 PolarHBondContact O-N 2.75Å; T194-K198 VanDerWaalsContact O-N 3.14Å; S195-K198 WeakPolarHBondContact O-CB 3.42Å; S195-K198 PolarHBondContact O-N 3.17Å; F196-K198 VanDerWaalsContact C-N 3.27Å; F196-K198 PolarHBondContact O-N 3.3Å; K198-V201 PolarHBondContact O-N 2.93Å; K198-S202 PolarHBondContact O-N 3.22Å; K198-S202 VanDerWaalsContact O-N 3.09Å |
| 199 | D | 89.9 | Confident | 87.8 | Confident | 92 Ų | 92 | 76.2 Ų | 76.2 | 49% | 0.492 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -65.3 | -40.1 | 176.9 | -65.1 | -14.7 | 0 | 0 | 0 | 110.9 | S195 F196 S202 | S195-D199 PolarHBondContact O-N 3.19Å; F196-D199 PolarHBondContact O-N 3.2Å; D199-S202 WeakPolarHBondContact O-CB 3.23Å; D199-S202 PolarHBondContact O-N 3.05Å; D199-S202 PolarHBondContact O-OG 3.08Å |
| 200 | V | 90.3 | Very high | 88 | Confident | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -66.4 | -39.9 | 177.6 | 171.9 | 0 | 0 | 0 | 0 | 112.6 | K178 I181 F196 E197 S202 F208 L218 | K178-V200 WeakPolarHBondContact CD-O 3.48Å; K178-V200 WeakPolarHBondContact CE-O 3.46Å; K178-V200 HydrophobicContact CG-CG1 4.49Å; K178-V200 WeakPolarHBondContact CG-O 3.44Å; I181-V200 HydrophobicContact CD1-CG1 4.33Å; I181-V200 HydrophobicContact CG2-CG1 4.44Å; F196-V200 HydrophobicContact CD1-CG2 4.18Å; F196-V200 HydrophobicContact CE1-CG2 3.88Å; F196-V200 HydrophobicContact CE2-CG2 4.45Å; F196-V200 HydrophobicContact CZ-CG2 4.03Å; F196-V200 VanDerWaalsContact O-CG2 3.29Å; F196-V200 WeakPolarHBondContact O-CG2 3.41Å; F196-V200 PolarHBondContact O-N 3.27Å; E197-V200 PolarHBondContact O-N 3.36Å; V200-S202 VanDerWaalsContact C-N 3.28Å; V200-F208 HydrophobicContact CG2-CE2 3.9Å; V200-F208 HydrophobicContact CG2-CZ 4.39Å; V200-L218 HydrophobicContact CB-CD2 4.19Å; V200-L218 HydrophobicContact CG1-CD2 3.56Å; V200-L218 HydrophobicContact CG2-CD2 3.47Å; V200-L218 VanDerWaalsContact CG2-CD2 3.47Å; V200-L218 HydrophobicContact CG2-CG 4.29Å |
| 201 | V | 88.8 | Confident | 88.2 | Confident | 52 Ų | 52 | 71.6 Ų | 71.6 | 32% | 0.315 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -82.7 | -7.2 | -178.7 | 178.4 | 0 | 0 | 0 | 0 | 112.4 | I182 M185 P192 E197 K198 | I182-V201 HydrophobicContact CG1-CG2 4.35Å; M185-V201 HydrophobicContact CE-CG2 4.26Å; M185-V201 HydrophobicContact SD-CG2 3.82Å; P192-V201 HydrophobicContact CG-CB 4.14Å; P192-V201 HydrophobicContact CG-CG1 4.18Å; P192-V201 HydrophobicContact CG-CG2 4.05Å; E197-V201 WeakPolarHBondContact O-CB 3.33Å; E197-V201 VanDerWaalsContact O-CG2 3.31Å; E197-V201 WeakPolarHBondContact O-CG2 3.49Å; E197-V201 PolarHBondContact O-N 3.19Å; K198-V201 PolarHBondContact O-N 2.93Å |
| 202 | S | 85.7 | Confident | 88.4 | Confident | 42 Ų | 42 | 73 Ų | 73 | 29% | 0.294 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -59.5 | 151.4 | 179 | 73.6 | 0 | 0 | 0 | 0 | 113 | K178 K198 D199 V200 D204 | K178-S202 WeakPolarHBondContact CE-O 3.48Å; K178-S202 PolarHBondContact NZ-O 3.49Å; K198-S202 PolarHBondContact O-N 3.22Å; K198-S202 VanDerWaalsContact O-N 3.09Å; D199-S202 WeakPolarHBondContact O-CB 3.23Å; D199-S202 PolarHBondContact O-N 3.05Å; D199-S202 PolarHBondContact O-OG 3.08Å; V200-S202 VanDerWaalsContact C-N 3.28Å; S202-D204 VanDerWaalsContact C-N 3.31Å |
| 203 | E | 79.3 | Confident | 88.5 | Confident | 197 Ų | 197 | 76.7 Ų | 76.7 | 92% | 0.921 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -73.5 | -24.6 | 179.5 | -66.1 | -177.9 | 180 | 0 | 0 | 112.5 | E205 | E203-E205 PolarHBondContact O-N 3.14Š|
| 204 | D | 84.5 | Confident | 88.8 | Confident | 92 Ų | 92 | 71.8 Ų | 71.8 | 49% | 0.492 | 38% | 0.381 | S | S | . | . | trans | -88.3 | 92.5 | -177.7 | -168.9 | -5.9 | 0 | 0 | 0 | 111.1 | S202 D206 A207 | S202-D204 VanDerWaalsContact C-N 3.31Å; D204-D206 PolarHBondContact O-N 3.5Å; D204-D206 PolarHBondContact OD1-N 3.38Å; D204-A207 HydrophobicContact CB-CB 4.16Å; D204-A207 PolarHBondContact O-N 2.84Å; D204-A207 PolarHBondContact OD1-N 2.83Å | ||
| 205 | E | 80.7 | Confident | 88.9 | Confident | 55 Ų | 55 | 69.1 Ų | 69.1 | 26% | 0.257 | 36% | 0.364 | S | S | . | . | G | 310 helix | trans | -69.5 | -22.3 | 179.7 | -68.7 | -174.8 | -177.2 | 0 | 0 | 113.5 | Y171 F174 K178 E203 | Y171-E205 HydrophobicContact CE2-CB 4.22Å; Y171-E205 PolarHBondContact OH-OE2 3.08Å; Y171-E205 VanDerWaalsContact OH-OE2 3.08Å; F174-E205 HydrophobicContact CE1-CB 4.14Å; F174-E205 HydrophobicContact CE1-CG 4.17Å; K178-E205 HydrophobicContact CD-CG 4.41Å; K178-E205 IonicContact NZ-OE1 3.64Å; K178-E205 PolarHBondContact NZ-OE1 3.03Å; E203-E205 PolarHBondContact O-N 3.14Å |
| 206 | D | 78.9 | Confident | 89.2 | Confident | 132 Ų | 132 | 68.4 Ų | 68.4 | 71% | 0.706 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -82 | -19.2 | -177.7 | -66.9 | -35.4 | 0 | 0 | 0 | 112 | D204 F208 | D204-D206 PolarHBondContact O-N 3.5Å; D204-D206 PolarHBondContact OD1-N 3.38Å; D206-F208 VanDerWaalsContact C-N 3.32Å |
| 207 | A | 83.2 | Confident | 89.4 | Confident | 66 Ų | 66 | 68.4 Ų | 68.4 | 55% | 0.545 | 36% | 0.362 | S | S | . | . | G | 310 helix | trans | -76.6 | -15.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | D204 | D204-A207 HydrophobicContact CB-CB 4.16Å; D204-A207 PolarHBondContact O-N 2.84Å; D204-A207 PolarHBondContact OD1-N 2.83Å |
| 208 | F | 88.4 | Confident | 89.5 | Confident | 16 Ų | 16 | 67.4 Ų | 67.4 | 7% | 0.07 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -82.4 | 122.4 | -176.4 | -172.4 | -93.7 | 0 | 0 | 0 | 112 | F174 F196 V200 D206 L210 N214 L218 | F174-F208 AromaticContact CD2-CD1 3.87Å; F174-F208 HydrophobicContact CD2-CD1 3.87Å; F174-F208 AromaticContact CD2-CE1 3.9Å; F174-F208 HydrophobicContact CD2-CE1 3.9Å; F174-F208 HydrophobicContact CE1-CB 4.29Å; F174-F208 HydrophobicContact CE1-CD1 4.46Å; F174-F208 HydrophobicContact CE2-CB 4.39Å; F174-F208 AromaticContact CE2-CD1 3.64Å; F174-F208 HydrophobicContact CE2-CD1 3.64Å; F174-F208 HydrophobicContact CE2-CD2 4.22Å; F174-F208 AromaticContact CE2-CE1 3.87Å; F174-F208 HydrophobicContact CE2-CE1 3.87Å; F174-F208 HydrophobicContact CE2-CE2 4.42Å; F174-F208 AromaticContact CE2-CG 3.82Å; F174-F208 HydrophobicContact CE2-CG 3.82Å; F174-F208 HydrophobicContact CE2-CZ 4.25Å; F174-F208 HydrophobicContact CG-CD1 4.35Å; F174-F208 HydrophobicContact CZ-CB 3.89Å; F174-F208 AromaticContact CZ-CD1 3.96Å; F174-F208 HydrophobicContact CZ-CD1 3.96Å; F174-F208 HydrophobicContact CZ-CD2 4.41Å; F174-F208 AromaticContact CZ-CG 3.83Å; F174-F208 HydrophobicContact CZ-CG 3.83Å; F196-F208 HydrophobicContact CE2-CE2 4.16Å; F196-F208 HydrophobicContact CE2-CZ 4.11Å; F196-F208 HydrophobicContact CZ-CZ 4.36Å; V200-F208 HydrophobicContact CG2-CE2 3.9Å; V200-F208 HydrophobicContact CG2-CZ 4.39Å; D206-F208 VanDerWaalsContact C-N 3.32Å; F208-L210 HydrophobicContact CD1-CD2 4.18Å; F208-L210 PolarHBondContact O-N 3.48Å; F208-N214 HydrophobicContact CE1-CB 3.95Å; F208-N214 HydrophobicContact CZ-CB 3.81Å; F208-L218 HydrophobicContact CE1-CD1 3.76Å; F208-L218 HydrophobicContact CZ-CD1 3.73Å; F208-L218 HydrophobicContact CZ-CG 4.26Å |
| 209 | C | 88.8 | Confident | 89.7 | Confident | 56 Ų | 56 | 66.3 Ų | 66.3 | 38% | 0.378 | 35% | 0.353 | S | S | . | . | trans | -70.1 | 120.9 | 177.2 | -55.1 | 0 | 0 | 0 | 0 | 111.3 | S211 N214 | C209-S211 PolarHBondContact O-N 3.25Å; C209-N214 WeakPolarHBondContact O-CB 3.36Å; C209-N214 PolarHBondContact O-ND2 3.25Å | ||
| 210 | L | 92.6 | Very high | 90 | Very high | 4 Ų | 4 | 66.7 Ų | 66.7 | 2% | 0.021 | 35% | 0.354 | C | S | . | . | trans | -83.3 | 42.5 | -179.3 | -60.7 | 174.4 | 0 | 0 | 0 | 112.3 | V134 L135 K167 R170 Y171 F174 F208 I215 | V134-L210 HydrophobicContact CG1-CB 4.26Å; V134-L210 HydrophobicContact CG1-CD1 3.94Å; V134-L210 HydrophobicContact CG1-CG 4.14Å; V134-L210 PolarHBondContact O-N 3.28Å; L135-L210 HydrophobicContact CD2-CB 4.27Å; K167-L210 HydrophobicContact CG-CD1 4.26Å; R170-L210 HydrophobicContact CB-CB 4.29Å; R170-L210 HydrophobicContact CB-CD1 4.49Å; R170-L210 VanDerWaalsContact CD-O 3.23Å; R170-L210 WeakPolarHBondContact CD-O 3.35Å; R170-L210 PolarHBondContact NH1-O 2.94Å; Y171-L210 HydrophobicContact CD2-CD1 4.3Å; F174-L210 HydrophobicContact CB-CD2 3.86Å; F174-L210 HydrophobicContact CD1-CD2 4.27Å; F174-L210 HydrophobicContact CG-CD2 4.1Å; F208-L210 HydrophobicContact CD1-CD2 4.18Å; F208-L210 PolarHBondContact O-N 3.48Å; L210-I215 HydrophobicContact CD2-CD1 4.47Å | ||
| 211 | S | 93.8 | Very high | 90.3 | Very high | 13 Ų | 13 | 67.2 Ų | 67.2 | 9% | 0.091 | 36% | 0.357 | C | S | . | . | trans | -68.4 | 153.2 | 175.8 | 86.1 | 0 | 0 | 0 | 0 | 110.9 | C209 D213 N214 I215 | C209-S211 PolarHBondContact O-N 3.25Å; S211-D213 PolarHBondContact O-N 2.94Å; S211-N214 PolarHBondContact O-N 2.89Å; S211-N214 VanDerWaalsContact OG-CB 3.31Å; S211-N214 WeakPolarHBondContact OG-CB 3.5Å; S211-N214 PolarHBondContact OG-N 3.33Å; S211-N214 PolarHBondContact OG-ND2 3.44Å; S211-N214 PolarHBondContact OG-OD1 2.91Å; S211-I215 WeakPolarHBondContact O-CG1 3.33Å; S211-I215 PolarHBondContact O-N 3.42Å | ||
| 212 | R | 92.8 | Very high | 90.7 | Very high | 190 Ų | 190 | 65.4 Ų | 65.4 | 72% | 0.717 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -60 | -35.6 | 176.7 | -178.2 | 177.5 | 170.3 | -176.5 | -3.3 | 112 | T216 | R212-T216 WeakPolarHBondContact O-CB 3.29Å; R212-T216 PolarHBondContact O-N 3.36Å; R212-T216 PolarHBondContact O-OG1 3.5Å |
| 213 | D | 94.3 | Very high | 91.2 | Very high | 119 Ų | 119 | 66.3 Ų | 66.3 | 64% | 0.636 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -71.7 | -37.4 | -179.8 | -63.7 | -19.2 | 0 | 0 | 0 | 111.1 | S211 T216 S217 | S211-D213 PolarHBondContact O-N 2.94Å; D213-T216 PolarHBondContact O-N 3.16Å; D213-S217 WeakPolarHBondContact O-CB 3.24Å; D213-S217 PolarHBondContact O-N 2.7Å; D213-S217 PolarHBondContact O-OG 3.44Å |
| 214 | N | 94.1 | Very high | 91.9 | Very high | 42 Ų | 42 | 60.3 Ų | 60.3 | 23% | 0.225 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -67.1 | -43.6 | 175.6 | -74 | -1.7 | 0 | 0 | 0 | 111.8 | F208 C209 S211 T216 S217 L218 | F208-N214 HydrophobicContact CE1-CB 3.95Å; F208-N214 HydrophobicContact CZ-CB 3.81Å; C209-N214 WeakPolarHBondContact O-CB 3.36Å; C209-N214 PolarHBondContact O-ND2 3.25Å; S211-N214 PolarHBondContact O-N 2.89Å; S211-N214 VanDerWaalsContact OG-CB 3.31Å; S211-N214 WeakPolarHBondContact OG-CB 3.5Å; S211-N214 PolarHBondContact OG-N 3.33Å; S211-N214 PolarHBondContact OG-ND2 3.44Å; S211-N214 PolarHBondContact OG-OD1 2.91Å; N214-T216 VanDerWaalsContact C-N 3.29Å; N214-T216 PolarHBondContact O-N 3.05Å; N214-S217 PolarHBondContact O-N 3.03Å; N214-L218 PolarHBondContact O-N 3.29Å |
| 215 | I | 94.9 | Very high | 92.4 | Very high | 9 Ų | 9 | 56 Ų | 56 | 5% | 0.046 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.4 | -39.3 | 173.5 | -62.4 | -63.3 | 0 | 0 | 0 | 111.2 | E173 F174 L210 S211 L218 K219 | E173-I215 HydrophobicContact CG-CG2 4.45Å; F174-I215 HydrophobicContact CB-CD1 4.12Å; L210-I215 HydrophobicContact CD2-CD1 4.47Å; S211-I215 WeakPolarHBondContact O-CG1 3.33Å; S211-I215 PolarHBondContact O-N 3.42Å; I215-L218 HydrophobicContact CD1-CD1 4.14Å; I215-L218 WeakPolarHBondContact O-CB 3.42Å; I215-L218 PolarHBondContact O-N 3.08Å; I215-K219 WeakPolarHBondContact O-CG 3.3Å; I215-K219 PolarHBondContact O-N 3.09Å; I215-K219 VanDerWaalsContact O-N 3.14Å |
| 216 | T | 96 | Very high | 93.1 | Very high | 78 Ų | 78 | 57.5 Ų | 57.5 | 48% | 0.479 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -66.4 | -40.1 | 176.1 | -55.1 | 0 | 0 | 0 | 0 | 111.2 | R212 D213 N214 K219 L220 | R212-T216 WeakPolarHBondContact O-CB 3.29Å; R212-T216 PolarHBondContact O-N 3.36Å; R212-T216 PolarHBondContact O-OG1 3.5Å; D213-T216 PolarHBondContact O-N 3.16Å; N214-T216 VanDerWaalsContact C-N 3.29Å; N214-T216 PolarHBondContact O-N 3.05Å; T216-K219 PolarHBondContact O-N 2.78Å; T216-L220 PolarHBondContact O-N 2.9Å |
| 217 | S | 95.3 | Very high | 93.9 | Very high | 48 Ų | 48 | 57.6 Ų | 57.6 | 34% | 0.336 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -66.8 | -36.3 | 177.3 | -58 | 0 | 0 | 0 | 0 | 112.3 | F196 D213 N214 L220 L221 | F196-S217 VanDerWaalsContact CZ-CB 3.48Å; D213-S217 WeakPolarHBondContact O-CB 3.24Å; D213-S217 PolarHBondContact O-N 2.7Å; D213-S217 PolarHBondContact O-OG 3.44Å; N214-S217 PolarHBondContact O-N 3.03Å; S217-L220 PolarHBondContact O-N 3.36Å; S217-L221 WeakPolarHBondContact O-CB 3.44Å; S217-L221 PolarHBondContact O-N 3.28Å |
| 218 | L | 95.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.6 | -47.2 | 171.4 | -83.8 | 159.1 | 0 | 0 | 0 | 112.2 | F174 L177 I181 F196 V200 F208 N214 I215 L220 L221 L222 | F174-L218 HydrophobicContact CD2-CD1 3.53Å; F174-L218 HydrophobicContact CD2-CD2 4.5Å; F174-L218 HydrophobicContact CE2-CD1 4.13Å; L177-L218 HydrophobicContact CD1-CB 4.12Å; I181-L218 HydrophobicContact CD1-CD2 3.67Å; F196-L218 HydrophobicContact CE1-CG 4.43Å; F196-L218 HydrophobicContact CZ-CG 3.99Å; V200-L218 HydrophobicContact CB-CD2 4.19Å; V200-L218 HydrophobicContact CG1-CD2 3.56Å; V200-L218 HydrophobicContact CG2-CD2 3.47Å; V200-L218 VanDerWaalsContact CG2-CD2 3.47Å; V200-L218 HydrophobicContact CG2-CG 4.29Å; F208-L218 HydrophobicContact CE1-CD1 3.76Å; F208-L218 HydrophobicContact CZ-CD1 3.73Å; F208-L218 HydrophobicContact CZ-CG 4.26Å; N214-L218 PolarHBondContact O-N 3.29Å; I215-L218 HydrophobicContact CD1-CD1 4.14Å; I215-L218 WeakPolarHBondContact O-CB 3.42Å; I215-L218 PolarHBondContact O-N 3.08Å; L218-L220 VanDerWaalsContact C-N 3.3Å; L218-L220 PolarHBondContact O-N 3.43Å; L218-L221 PolarHBondContact O-N 2.91Å; L218-L222 PolarHBondContact O-N 2.96Å |
| 219 | K | 96.1 | Very high | 94.5 | Very high | 90 Ų | 90 | 62.4 Ų | 62.4 | 39% | 0.391 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.8 | -40.9 | 176.2 | -70.1 | 175.8 | -178.7 | 177.8 | 0 | 111.7 | E173 L177 I215 T216 L222 C223 | E173-K219 WeakPolarHBondContact OE1-CE 3.31Å; E173-K219 IonicContact OE1-NZ 3.18Å; E173-K219 PolarHBondContact OE1-NZ 3.45Å; L177-K219 HydrophobicContact CD1-CG 3.84Å; L177-K219 HydrophobicContact CD2-CG 4.37Å; I215-K219 WeakPolarHBondContact O-CG 3.3Å; I215-K219 PolarHBondContact O-N 3.09Å; I215-K219 VanDerWaalsContact O-N 3.14Å; T216-K219 PolarHBondContact O-N 2.78Å; K219-L222 PolarHBondContact O-N 2.95Å; K219-C223 PolarHBondContact O-N 2.84Å; K219-C223 PolarHBondContact O-SG 2.85Å |
| 220 | L | 96.8 | Very high | 94.7 | Very high | 100 Ų | 100 | 64.7 Ų | 64.7 | 52% | 0.524 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.9 | -45 | 176.1 | -179.9 | 63.2 | 0 | 0 | 0 | 111.4 | T216 S217 L218 L222 C223 Q224 | T216-L220 PolarHBondContact O-N 2.9Å; S217-L220 PolarHBondContact O-N 3.36Å; L218-L220 VanDerWaalsContact C-N 3.3Å; L218-L220 PolarHBondContact O-N 3.43Å; L220-L222 VanDerWaalsContact C-N 3.32Å; L220-L222 PolarHBondContact O-N 2.89Å; L220-C223 PolarHBondContact O-N 3.42Å; L220-Q224 HydrophobicContact CD1-CG 4.46Å; L220-Q224 VanDerWaalsContact O-CG 3.28Å; L220-Q224 WeakPolarHBondContact O-CG 3.49Å; L220-Q224 PolarHBondContact O-N 2.67Å |
| 221 | L | 95.8 | Very high | 94.7 | Very high | 11 Ų | 11 | 70.2 Ų | 70.2 | 6% | 0.058 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -59.5 | -44.4 | 176 | 176.4 | 60.3 | 0 | 0 | 0 | 111.2 | I181 F196 E197 S217 L218 Q224 L225 | I181-L221 HydrophobicContact CD1-CD2 4.18Å; I181-L221 HydrophobicContact CD1-CG 4.38Å; I181-L221 HydrophobicContact CG2-CD2 4.21Å; F196-L221 HydrophobicContact CD1-CD2 4.35Å; F196-L221 HydrophobicContact CE1-CD2 4.3Å; E197-L221 HydrophobicContact CG-CD1 4.04Å; E197-L221 HydrophobicContact CG-CD2 3.81Å; S217-L221 WeakPolarHBondContact O-CB 3.44Å; S217-L221 PolarHBondContact O-N 3.28Å; L218-L221 PolarHBondContact O-N 2.91Å; L221-Q224 PolarHBondContact O-N 2.89Å; L221-L225 HydrophobicContact CD1-CD1 4.26Å; L221-L225 HydrophobicContact CD1-CG 4.29Å; L221-L225 HydrophobicContact CG-CD1 4.22Å; L221-L225 WeakPolarHBondContact O-CG 3.47Å; L221-L225 PolarHBondContact O-N 3.38Å |
| 222 | L | 96.4 | Very high | 94.6 | Very high | 14 Ų | 14 | 71.5 Ų | 71.5 | 7% | 0.073 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -57.5 | -51.5 | 175.4 | 179.4 | 63.4 | 0 | 0 | 0 | 111.5 | L177 Q180 I181 L184 L218 K219 L220 Q224 L225 E226 | L177-L222 HydrophobicContact CD2-CD2 3.56Å; Q180-L222 HydrophobicContact CB-CD1 3.99Å; I181-L222 HydrophobicContact CD1-CB 4.43Å; I181-L222 HydrophobicContact CG1-CB 4.1Å; I181-L222 HydrophobicContact CG1-CD1 4.09Å; L184-L222 HydrophobicContact CD1-CD1 3.44Å; L184-L222 VanDerWaalsContact CD1-CD1 3.44Å; L218-L222 PolarHBondContact O-N 2.96Å; K219-L222 PolarHBondContact O-N 2.95Å; L220-L222 VanDerWaalsContact C-N 3.32Å; L220-L222 PolarHBondContact O-N 2.89Å; L222-Q224 VanDerWaalsContact C-N 3.3Å; L222-Q224 PolarHBondContact O-N 2.72Å; L222-L225 PolarHBondContact O-N 3.2Å; L222-L225 VanDerWaalsContact O-N 3.11Å; L222-E226 HydrophobicContact CD1-CG 4.45Å; L222-E226 WeakPolarHBondContact O-CG 3.43Å; L222-E226 PolarHBondContact O-N 2.85Å |
| 223 | C | 96.8 | Very high | 94.6 | Very high | 60 Ų | 60 | 66.2 Ų | 66.2 | 41% | 0.405 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -56.7 | -43.7 | 177.1 | -67.5 | 0 | 0 | 0 | 0 | 111.9 | K219 L220 L225 E226 E227 | K219-C223 PolarHBondContact O-N 2.84Å; K219-C223 PolarHBondContact O-SG 2.85Å; L220-C223 PolarHBondContact O-N 3.42Å; C223-L225 VanDerWaalsContact C-N 3.31Å; C223-L225 PolarHBondContact O-N 3.28Å; C223-E226 PolarHBondContact O-N 3.35Å; C223-E227 WeakPolarHBondContact O-CB 3.4Å; C223-E227 WeakPolarHBondContact O-CG 3.49Å; C223-E227 PolarHBondContact O-N 3.01Å |
| 224 | Q | 95.1 | Very high | 94.6 | Very high | 71 Ų | 71 | 63.4 Ų | 63.4 | 33% | 0.332 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65.1 | -33 | 179 | -71.8 | 175 | 1.2 | 0 | 0 | 112.9 | L220 L221 L222 R228 | L220-Q224 HydrophobicContact CD1-CG 4.46Å; L220-Q224 VanDerWaalsContact O-CG 3.28Å; L220-Q224 WeakPolarHBondContact O-CG 3.49Å; L220-Q224 PolarHBondContact O-N 2.67Å; L221-Q224 PolarHBondContact O-N 2.89Å; L222-Q224 VanDerWaalsContact C-N 3.3Å; L222-Q224 PolarHBondContact O-N 2.72Å; Q224-R228 WeakPolarHBondContact O-CG 3.41Å; Q224-R228 PolarHBondContact O-N 3.1Å; Q224-R228 PolarHBondContact O-NH1 3.45Å; Q224-R228 VanDerWaalsContact O-NH1 3.15Å |
| 225 | L | 95 | Very high | 94.6 | Very high | 1 Ų | 1 | 64.3 Ų | 64.3 | 1% | 0.005 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -73.3 | -41.1 | 175.3 | -69.3 | 171.4 | 0 | 0 | 0 | 111.1 | I181 L184 M185 L188 L221 L222 C223 R228 K229 | I181-L225 HydrophobicContact CB-CD1 4.42Å; I181-L225 HydrophobicContact CG1-CD1 4.43Å; I181-L225 HydrophobicContact CG2-CD1 3.86Å; L184-L225 HydrophobicContact CB-CB 4.23Å; L184-L225 HydrophobicContact CB-CD1 4.48Å; L184-L225 HydrophobicContact CD1-CB 4.18Å; M185-L225 HydrophobicContact CG-CD1 3.8Å; M185-L225 HydrophobicContact CG-CD2 4.32Å; L188-L225 HydrophobicContact CD1-CB 4.36Å; L188-L225 HydrophobicContact CD1-CD2 4.08Å; L221-L225 HydrophobicContact CD1-CD1 4.26Å; L221-L225 HydrophobicContact CD1-CG 4.29Å; L221-L225 HydrophobicContact CG-CD1 4.22Å; L221-L225 WeakPolarHBondContact O-CG 3.47Å; L221-L225 PolarHBondContact O-N 3.38Å; L222-L225 PolarHBondContact O-N 3.2Å; L222-L225 VanDerWaalsContact O-N 3.11Å; C223-L225 VanDerWaalsContact C-N 3.31Å; C223-L225 PolarHBondContact O-N 3.28Å; L225-R228 PolarHBondContact O-N 3.35Å; L225-K229 PolarHBondContact O-N 3.44Å |
| 226 | E | 95.4 | Very high | 94.6 | Very high | 88 Ų | 88 | 63.9 Ų | 63.9 | 41% | 0.411 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.2 | -44.1 | 174.5 | -71 | 177.9 | 165.9 | 0 | 0 | 112.1 | L184 L222 C223 R228 K229 V230 | L184-E226 HydrophobicContact CD1-CG 3.7Å; L222-E226 HydrophobicContact CD1-CG 4.45Å; L222-E226 WeakPolarHBondContact O-CG 3.43Å; L222-E226 PolarHBondContact O-N 2.85Å; C223-E226 PolarHBondContact O-N 3.35Å; E226-R228 PolarHBondContact O-N 3.44Å; E226-K229 WeakPolarHBondContact O-CB 3.46Å; E226-K229 PolarHBondContact O-N 3.29Å; E226-V230 WeakPolarHBondContact O-CG2 3.49Å; E226-V230 PolarHBondContact O-N 2.62Å |
| 227 | E | 95.3 | Very high | 94.6 | Very high | 134 Ų | 134 | 64.1 Ų | 64.1 | 63% | 0.626 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -59.2 | -47.1 | 175.6 | -76.6 | 174.3 | -178.7 | 0 | 0 | 111.6 | C223 K229 V230 E231 | C223-E227 WeakPolarHBondContact O-CB 3.4Å; C223-E227 WeakPolarHBondContact O-CG 3.49Å; C223-E227 PolarHBondContact O-N 3.01Å; E227-K229 VanDerWaalsContact C-N 3.29Å; E227-K229 PolarHBondContact O-N 3.01Å; E227-V230 PolarHBondContact O-N 3.28Å; E227-E231 WeakPolarHBondContact O-CB 3.5Å; E227-E231 PolarHBondContact O-N 3.49Å |
| 228 | R | 91.8 | Very high | 94.6 | Very high | 111 Ų | 111 | 65.3 Ų | 65.3 | 42% | 0.419 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.5 | -36.9 | 175.6 | -75.4 | -174.7 | -166.2 | 97.5 | -8.6 | 112.5 | L188 Q224 L225 E226 E231 N232 | L188-R228 HydrophobicContact CD1-CB 4.42Å; Q224-R228 WeakPolarHBondContact O-CG 3.41Å; Q224-R228 PolarHBondContact O-N 3.1Å; Q224-R228 PolarHBondContact O-NH1 3.45Å; Q224-R228 VanDerWaalsContact O-NH1 3.15Å; L225-R228 PolarHBondContact O-N 3.35Å; E226-R228 PolarHBondContact O-N 3.44Å; R228-E231 PolarHBondContact O-N 3.18Å; R228-N232 WeakPolarHBondContact O-CB 3.41Å; R228-N232 VanDerWaalsContact O-CG 3.24Å; R228-N232 PolarHBondContact O-N 3.4Å |
| 229 | K | 92.1 | Very high | 94.6 | Very high | 72 Ų | 72 | 67 Ų | 67 | 31% | 0.313 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.8 | -46 | 175.2 | -179.1 | 179.2 | 173 | 172.4 | 0 | 111.6 | L184 E187 L188 L225 E226 E227 N232 E233 | L184-K229 HydrophobicContact CD2-CD 3.73Å; E187-K229 VanDerWaalsContact CD-CE 3.5Å; E187-K229 WeakPolarHBondContact OE1-CE 3.41Å; E187-K229 IonicContact OE1-NZ 2.76Å; E187-K229 PolarHBondContact OE1-NZ 3.18Å; E187-K229 WeakPolarHBondContact OE2-CE 3.38Å; E187-K229 IonicContact OE2-NZ 3.54Å; E187-K229 PolarHBondContact OE2-NZ 3.1Å; L188-K229 HydrophobicContact CD2-CB 3.99Å; L188-K229 HydrophobicContact CD2-CG 4.45Å; L225-K229 PolarHBondContact O-N 3.44Å; E226-K229 WeakPolarHBondContact O-CB 3.46Å; E226-K229 PolarHBondContact O-N 3.29Å; E227-K229 VanDerWaalsContact C-N 3.29Å; E227-K229 PolarHBondContact O-N 3.01Å; K229-N232 PolarHBondContact O-N 3.19Å; K229-E233 WeakPolarHBondContact O-CB 3.44Å; K229-E233 PolarHBondContact O-N 2.58Å |
| 230 | V | 93.5 | Very high | 94.6 | Very high | 103 Ų | 103 | 63 Ų | 63 | 62% | 0.624 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -64.5 | -41.8 | 177.5 | 173.9 | 0 | 0 | 0 | 0 | 111.2 | E226 E227 E233 A234 | E226-V230 WeakPolarHBondContact O-CG2 3.49Å; E226-V230 PolarHBondContact O-N 2.62Å; E227-V230 PolarHBondContact O-N 3.28Å; V230-E233 PolarHBondContact O-N 3.29Å; V230-A234 WeakPolarHBondContact O-CB 3.47Å; V230-A234 PolarHBondContact O-N 3.45Å |
| 231 | E | 92.6 | Very high | 94.6 | Very high | 120 Ų | 120 | 63 Ų | 63 | 56% | 0.561 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -62 | -47.2 | 176.4 | -175.1 | 174.8 | -162.3 | 0 | 0 | 111.7 | E227 R228 E233 A234 I235 | E227-E231 WeakPolarHBondContact O-CB 3.5Å; E227-E231 PolarHBondContact O-N 3.49Å; R228-E231 PolarHBondContact O-N 3.18Å; E231-E233 VanDerWaalsContact C-N 3.34Å; E231-E233 PolarHBondContact O-N 3.1Å; E231-A234 PolarHBondContact O-N 3.18Å; E231-I235 HydrophobicContact CG-CD1 4.01Å; E231-I235 WeakPolarHBondContact O-CG1 3.18Å; E231-I235 PolarHBondContact O-N 3.43Å |
| 232 | N | 91.7 | Very high | 94.6 | Very high | 41 Ų | 41 | 66 Ų | 66 | 22% | 0.219 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.2 | -42.1 | 176.6 | -76.2 | -13.4 | 0 | 0 | 0 | 112.3 | R228 K229 I235 C236 | R228-N232 WeakPolarHBondContact O-CB 3.41Å; R228-N232 VanDerWaalsContact O-CG 3.24Å; R228-N232 PolarHBondContact O-N 3.4Å; K229-N232 PolarHBondContact O-N 3.19Å; N232-I235 PolarHBondContact O-N 3.44Å; N232-C236 WeakPolarHBondContact O-CB 3.47Å; N232-C236 PolarHBondContact O-N 3.5Å; N232-C236 PolarHBondContact O-SG 3.47Å |
| 233 | E | 93.1 | Very high | 94.6 | Very high | 79 Ų | 79 | 65.3 Ų | 65.3 | 37% | 0.369 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60.5 | -46.3 | 175 | -174.4 | 65.3 | -132 | 0 | 0 | 111.2 | K229 V230 E231 I235 C236 E237 R240 S267 | K229-E233 WeakPolarHBondContact O-CB 3.44Å; K229-E233 PolarHBondContact O-N 2.58Å; V230-E233 PolarHBondContact O-N 3.29Å; E231-E233 VanDerWaalsContact C-N 3.34Å; E231-E233 PolarHBondContact O-N 3.1Å; E233-I235 PolarHBondContact O-N 2.76Å; E233-C236 PolarHBondContact O-N 2.84Å; E233-E237 WeakPolarHBondContact O-CB 3.33Å; E233-E237 PolarHBondContact O-N 3.18Å; E233-R240 IonicContact OE1-CZ 3.19Å; E233-R240 IonicContact OE1-NH2 2.8Å; E233-R240 PolarHBondContact OE1-NH2 2.83Å; E233-S267 PolarHBondContact OE1-OG 3.33Å; E233-S267 WeakPolarHBondContact OE2-CB 3.25Å; E233-S267 PolarHBondContact OE2-OG 3.22Å |
| 234 | A | 94.1 | Very high | 94.5 | Very high | 60 Ų | 60 | 67.2 Ų | 67.2 | 50% | 0.496 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62.7 | -41.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | V230 E231 E237 S238 | V230-A234 WeakPolarHBondContact O-CB 3.47Å; V230-A234 PolarHBondContact O-N 3.45Å; E231-A234 PolarHBondContact O-N 3.18Å; A234-E237 PolarHBondContact O-N 3.49Å; A234-S238 PolarHBondContact O-N 3.41Å |
| 235 | I | 93.9 | Very high | 94.6 | Very high | 61 Ų | 61 | 69.7 Ų | 69.7 | 31% | 0.313 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -66.1 | -44.6 | 176 | -63.6 | 166.7 | 0 | 0 | 0 | 110.4 | E231 N232 E233 E237 S238 H239 L272 | E231-I235 HydrophobicContact CG-CD1 4.01Å; E231-I235 WeakPolarHBondContact O-CG1 3.18Å; E231-I235 PolarHBondContact O-N 3.43Å; N232-I235 PolarHBondContact O-N 3.44Å; E233-I235 PolarHBondContact O-N 2.76Å; I235-E237 VanDerWaalsContact C-N 3.32Å; I235-E237 PolarHBondContact O-N 3.33Å; I235-S238 PolarHBondContact O-N 3.02Å; I235-H239 PolarHBondContact O-CD2 2.96Å; I235-H239 VanDerWaalsContact O-CD2 3.29Å; I235-H239 PolarHBondContact O-N 3.3Å; I235-L272 HydrophobicContact CB-CD1 4.39Å; I235-L272 HydrophobicContact CG2-CD1 3.58Å |
| 236 | C | 94.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -59.2 | -44.9 | 176.1 | -70.1 | 0 | 0 | 0 | 0 | 111.1 | N232 E233 S238 H239 R240 L275 | N232-C236 WeakPolarHBondContact O-CB 3.47Å; N232-C236 PolarHBondContact O-N 3.5Å; N232-C236 PolarHBondContact O-SG 3.47Å; E233-C236 PolarHBondContact O-N 2.84Å; C236-S238 PolarHBondContact O-N 3.39Å; C236-H239 PolarHBondContact O-N 3.44Å; C236-R240 WeakPolarHBondContact O-CG 3.12Å; C236-R240 PolarHBondContact O-N 3Å; C236-L275 HydrophobicContact CB-CD1 3.83Å |
| 237 | E | 95.2 | Very high | 94.6 | Very high | 82 Ų | 82 | 66.5 Ų | 66.5 | 38% | 0.383 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.8 | -43.7 | 179.2 | -163 | 57.5 | -146.9 | 0 | 0 | 112 | E233 A234 I235 H239 R240 E241 | E233-E237 WeakPolarHBondContact O-CB 3.33Å; E233-E237 PolarHBondContact O-N 3.18Å; A234-E237 PolarHBondContact O-N 3.49Å; I235-E237 VanDerWaalsContact C-N 3.32Å; I235-E237 PolarHBondContact O-N 3.33Å; E237-H239 VanDerWaalsContact C-N 3.3Å; E237-H239 PolarHBondContact O-N 3.03Å; E237-R240 WeakPolarHBondContact O-CB 3.5Å; E237-R240 PolarHBondContact O-N 2.92Å; E237-R240 VanDerWaalsContact O-N 3.1Å; E237-R240 IonicContact OE2-CZ 3.34Å; E237-R240 VanDerWaalsContact OE2-CZ 3.3Å; E237-R240 IonicContact OE2-NE 3.19Å; E237-R240 PolarHBondContact OE2-NE 2.89Å; E237-R240 IonicContact OE2-NH2 3.6Å; E237-R240 PolarHBondContact OE2-NH2 2.97Å; E237-E241 WeakPolarHBondContact O-CG 3.33Å; E237-E241 PolarHBondContact O-N 3.39Å |
| 238 | S | 96.3 | Very high | 94.5 | Very high | 73 Ų | 73 | 64.4 Ų | 64.4 | 51% | 0.51 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -59.2 | -40.7 | 174.3 | -176.7 | 0 | 0 | 0 | 0 | 112.4 | A234 I235 C236 K242 | A234-S238 PolarHBondContact O-N 3.41Å; I235-S238 PolarHBondContact O-N 3.02Å; C236-S238 PolarHBondContact O-N 3.39Å; S238-K242 WeakPolarHBondContact O-CB 3.47Å; S238-K242 PolarHBondContact O-N 3.45Å; S238-K242 VanDerWaalsContact O-N 3.08Å |
| 239 | H | 95.9 | Very high | 94.6 | Very high | 37 Ų | 37 | 66.2 Ų | 66.2 | 17% | 0.171 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66.8 | -40.6 | 173.8 | -71.8 | -46.4 | 0 | 0 | 0 | 112.2 | I235 C236 E237 K242 I243 L275 Q276 V279 | I235-H239 PolarHBondContact O-CD2 2.96Å; I235-H239 VanDerWaalsContact O-CD2 3.29Å; I235-H239 PolarHBondContact O-N 3.3Å; C236-H239 PolarHBondContact O-N 3.44Å; E237-H239 VanDerWaalsContact C-N 3.3Å; E237-H239 PolarHBondContact O-N 3.03Å; H239-K242 PolarHBondContact O-N 2.67Å; H239-I243 WeakPolarHBondContact O-CB 3.5Å; H239-I243 WeakPolarHBondContact O-CD1 3.14Å; H239-I243 VanDerWaalsContact O-CG1 3.22Å; H239-I243 WeakPolarHBondContact O-CG1 3.42Å; H239-I243 PolarHBondContact O-N 2.93Å; H239-L275 HydrophobicContact CB-CB 3.99Å; H239-Q276 WeakPolarHBondContact NE2-CG 3.47Å; H239-V279 HydrophobicContact CB-CG2 4.2Å |
| 240 | R | 96 | Very high | 94.6 | Very high | 5 Ų | 5 | 64.4 Ų | 64.4 | 2% | 0.019 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.8 | -45.2 | 176.9 | -73.9 | -173.2 | -76.3 | -109.7 | 4.5 | 112.1 | E233 C236 E237 K242 I243 Q244 M264 A266 S267 L275 | E233-R240 IonicContact OE1-CZ 3.19Å; E233-R240 IonicContact OE1-NH2 2.8Å; E233-R240 PolarHBondContact OE1-NH2 2.83Å; C236-R240 WeakPolarHBondContact O-CG 3.12Å; C236-R240 PolarHBondContact O-N 3Å; E237-R240 WeakPolarHBondContact O-CB 3.5Å; E237-R240 PolarHBondContact O-N 2.92Å; E237-R240 VanDerWaalsContact O-N 3.1Å; E237-R240 IonicContact OE2-CZ 3.34Å; E237-R240 VanDerWaalsContact OE2-CZ 3.3Å; E237-R240 IonicContact OE2-NE 3.19Å; E237-R240 PolarHBondContact OE2-NE 2.89Å; E237-R240 IonicContact OE2-NH2 3.6Å; E237-R240 PolarHBondContact OE2-NH2 2.97Å; R240-K242 VanDerWaalsContact C-N 3.33Å; R240-K242 PolarHBondContact O-N 2.9Å; R240-I243 PolarHBondContact O-N 3.21Å; R240-Q244 PolarHBondContact O-N 2.97Å; R240-M264 HydrophobicContact CB-CE 3.86Å; R240-M264 HydrophobicContact CB-SD 4.34Å; R240-M264 WeakPolarHBondContact CD-O 3.1Å; R240-M264 HydrophobicContact CG-CE 3.92Å; R240-M264 HydrophobicContact CG-SD 3.81Å; R240-A266 PolarHBondContact NH1-O 3.42Å; R240-S267 PolarHBondContact NH1-OG 3.33Å; R240-S267 PolarHBondContact NH2-OG 3.27Å; R240-L275 HydrophobicContact CG-CD1 3.96Å; R240-L275 HydrophobicContact CG-CD2 3.79Å |
| 241 | E | 96.1 | Very high | 94.6 | Very high | 99 Ų | 99 | 66.7 Ų | 66.7 | 46% | 0.463 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -59 | -45.6 | 174.2 | -72.2 | -179.7 | 174.7 | 0 | 0 | 111.2 | E237 Q244 Q245 | E237-E241 WeakPolarHBondContact O-CG 3.33Å; E237-E241 PolarHBondContact O-N 3.39Å; E241-Q244 PolarHBondContact O-N 2.97Å; E241-Q245 VanDerWaalsContact O-CG 3.29Å; E241-Q245 WeakPolarHBondContact O-CG 3.3Å; E241-Q245 PolarHBondContact O-N 3.1Å |
| 242 | K | 96 | Very high | 94.6 | Very high | 74 Ų | 74 | 61.3 Ų | 61.3 | 32% | 0.322 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.5 | -42.3 | 177.7 | -173.6 | 175.4 | -179.7 | -177.5 | 0 | 112.2 | S238 H239 R240 Q245 L246 V279 E283 | S238-K242 WeakPolarHBondContact O-CB 3.47Å; S238-K242 PolarHBondContact O-N 3.45Å; S238-K242 VanDerWaalsContact O-N 3.08Å; H239-K242 PolarHBondContact O-N 2.67Å; R240-K242 VanDerWaalsContact C-N 3.33Å; R240-K242 PolarHBondContact O-N 2.9Å; K242-Q245 PolarHBondContact O-N 3.15Å; K242-L246 HydrophobicContact CG-CD1 4.2Å; K242-L246 WeakPolarHBondContact O-CB 3.22Å; K242-L246 WeakPolarHBondContact O-CG 3.44Å; K242-L246 PolarHBondContact O-N 2.85Å; K242-V279 HydrophobicContact CD-CG1 3.79Å; K242-V279 HydrophobicContact CD-CG2 4.37Å; K242-E283 WeakPolarHBondContact CE-OE1 3.49Å; K242-E283 IonicContact NZ-OE1 3.44Å; K242-E283 PolarHBondContact NZ-OE1 3.15Å |
| 243 | I | 96.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62 | -46.3 | 176 | -72.6 | 162.9 | 0 | 0 | 0 | 110.3 | H239 R240 Q245 L246 W247 L260 L275 E278 V279 L282 | H239-I243 WeakPolarHBondContact O-CB 3.5Å; H239-I243 WeakPolarHBondContact O-CD1 3.14Å; H239-I243 VanDerWaalsContact O-CG1 3.22Å; H239-I243 WeakPolarHBondContact O-CG1 3.42Å; H239-I243 PolarHBondContact O-N 2.93Å; R240-I243 PolarHBondContact O-N 3.21Å; I243-Q245 PolarHBondContact O-N 2.79Å; I243-L246 PolarHBondContact O-N 2.96Å; I243-W247 HydrophobicContact CG2-CD2 3.55Å; I243-W247 HydrophobicContact CG2-CE3 3.89Å; I243-W247 HydrophobicContact CG2-CG 4.16Å; I243-W247 HydrophobicContact CG2-CH2 3.83Å; I243-W247 HydrophobicContact CG2-CZ2 3.47Å; I243-W247 VanDerWaalsContact CG2-CZ2 3.47Å; I243-W247 HydrophobicContact CG2-CZ3 4.02Å; I243-W247 WeakPolarHBondContact O-CB 3.42Å; I243-W247 VanDerWaalsContact O-CG 3.32Å; I243-W247 PolarHBondContact O-N 2.88Å; I243-L260 HydrophobicContact CD1-CD2 4.01Å; I243-L260 HydrophobicContact CG2-CD2 4.22Å; I243-L275 HydrophobicContact CD1-CB 4.18Å; I243-L275 HydrophobicContact CD1-CD2 3.53Å; I243-L275 HydrophobicContact CD1-CG 4.47Å; I243-E278 HydrophobicContact CD1-CB 4.18Å; I243-E278 HydrophobicContact CD1-CG 4.18Å; I243-E278 HydrophobicContact CG1-CG 4.25Å; I243-E278 HydrophobicContact CG2-CG 4.37Å; I243-V279 HydrophobicContact CD1-CG2 3.93Å; I243-V279 HydrophobicContact CG1-CG2 3.56Å; I243-L282 HydrophobicContact CB-CD1 4.4Å; I243-L282 HydrophobicContact CG1-CD1 4.29Å; I243-L282 HydrophobicContact CG2-CD1 4.03Å |
| 244 | Q | 95 | Very high | 94.5 | Very high | 101 Ų | 101 | 63.3 Ų | 63.3 | 47% | 0.472 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -58.8 | -46.5 | 176.2 | -82.2 | 176.9 | -10.6 | 0 | 0 | 111.8 | R240 E241 L246 W247 D248 M264 | R240-Q244 PolarHBondContact O-N 2.97Å; E241-Q244 PolarHBondContact O-N 2.97Å; Q244-L246 VanDerWaalsContact C-N 3.33Å; Q244-L246 PolarHBondContact O-N 3.18Å; Q244-W247 HydrophobicContact CG-CE3 4.45Å; Q244-W247 PolarHBondContact O-N 3.23Å; Q244-D248 PolarHBondContact O-N 3.13Å; Q244-M264 HydrophobicContact CG-CE 4.13Å |
| 245 | Q | 95.8 | Very high | 94.4 | Very high | 122 Ų | 122 | 66.8 Ų | 66.8 | 57% | 0.57 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -58.8 | -44.1 | 176 | -70 | 171.8 | 26.7 | 0 | 0 | 111.9 | E241 K242 I243 D248 R249 | E241-Q245 VanDerWaalsContact O-CG 3.29Å; E241-Q245 WeakPolarHBondContact O-CG 3.3Å; E241-Q245 PolarHBondContact O-N 3.1Å; K242-Q245 PolarHBondContact O-N 3.15Å; I243-Q245 PolarHBondContact O-N 2.79Å; Q245-D248 PolarHBondContact O-N 3.34Å; Q245-R249 WeakPolarHBondContact O-CB 3.43Å; Q245-R249 VanDerWaalsContact O-CG 3.23Å; Q245-R249 WeakPolarHBondContact O-CG 3.49Å; Q245-R249 PolarHBondContact O-N 2.96Å |
| 246 | L | 94.8 | Very high | 94.3 | Very high | 10 Ų | 10 | 67.9 Ų | 67.9 | 5% | 0.052 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -68.9 | -40.9 | 178.4 | -73.4 | 172.5 | 0 | 0 | 0 | 112.2 | K242 I243 Q244 D248 R249 L250 L282 E283 | K242-L246 HydrophobicContact CG-CD1 4.2Å; K242-L246 WeakPolarHBondContact O-CB 3.22Å; K242-L246 WeakPolarHBondContact O-CG 3.44Å; K242-L246 PolarHBondContact O-N 2.85Å; I243-L246 PolarHBondContact O-N 2.96Å; Q244-L246 VanDerWaalsContact C-N 3.33Å; Q244-L246 PolarHBondContact O-N 3.18Å; L246-D248 VanDerWaalsContact C-N 3.31Å; L246-D248 PolarHBondContact O-N 3.38Å; L246-R249 PolarHBondContact O-N 3.49Å; L246-L250 VanDerWaalsContact O-CB 3.24Å; L246-L250 WeakPolarHBondContact O-CB 3.44Å; L246-L250 WeakPolarHBondContact O-CG 3.44Å; L246-L250 PolarHBondContact O-N 3.31Å; L246-L282 HydrophobicContact CB-CB 4.07Å; L246-L282 HydrophobicContact CB-CD1 3.93Å; L246-L282 HydrophobicContact CD1-CB 3.7Å; L246-L282 HydrophobicContact CD1-CD1 4.37Å; L246-L282 HydrophobicContact CG-CB 4.44Å; L246-E283 HydrophobicContact CD1-CG 4.18Å |
| 247 | W | 95.8 | Very high | 94.1 | Very high | 12 Ų | 12 | 69.9 Ų | 69.9 | 5% | 0.045 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -58.8 | -42.4 | 174.8 | -78.7 | -12.7 | 0 | 0 | 0 | 112.1 | I243 Q244 Q251 V252 R257 L260 M264 E278 | I243-W247 HydrophobicContact CG2-CD2 3.55Å; I243-W247 HydrophobicContact CG2-CE3 3.89Å; I243-W247 HydrophobicContact CG2-CG 4.16Å; I243-W247 HydrophobicContact CG2-CH2 3.83Å; I243-W247 HydrophobicContact CG2-CZ2 3.47Å; I243-W247 VanDerWaalsContact CG2-CZ2 3.47Å; I243-W247 HydrophobicContact CG2-CZ3 4.02Å; I243-W247 WeakPolarHBondContact O-CB 3.42Å; I243-W247 VanDerWaalsContact O-CG 3.32Å; I243-W247 PolarHBondContact O-N 2.88Å; Q244-W247 HydrophobicContact CG-CE3 4.45Å; Q244-W247 PolarHBondContact O-N 3.23Å; W247-Q251 WeakPolarHBondContact O-CA 3.47Å; W247-Q251 PolarHBondContact O-N 2.9Å; W247-V252 HydrophobicContact CB-CB 4.44Å; W247-V252 HydrophobicContact CG-CB 4.29Å; W247-V252 PolarHBondContact O-N 3.22Å; W247-R257 HydrophobicContact CD2-CB 4.38Å; W247-R257 HydrophobicContact CD2-CG 3.7Å; W247-R257 HydrophobicContact CE3-CB 4.23Å; W247-R257 HydrophobicContact CE3-CG 3.84Å; W247-R257 HydrophobicContact CG-CG 4.15Å; W247-R257 HydrophobicContact CH2-CB 3.94Å; W247-R257 HydrophobicContact CH2-CG 4.33Å; W247-R257 HydrophobicContact CZ2-CB 4.09Å; W247-R257 HydrophobicContact CZ2-CG 4.21Å; W247-R257 HydrophobicContact CZ3-CB 4.02Å; W247-R257 HydrophobicContact CZ3-CG 4.16Å; W247-R257 PolarHBondContact O-NH2 3.3Å; W247-R257 VanDerWaalsContact O-NH2 3.07Å; W247-L260 HydrophobicContact CH2-CB 4.14Å; W247-L260 HydrophobicContact CH2-CD2 4Å; W247-L260 HydrophobicContact CZ2-CB 4.08Å; W247-L260 HydrophobicContact CZ2-CD2 3.76Å; W247-M264 HydrophobicContact CH2-CE 4.44Å; W247-M264 HydrophobicContact CH2-CG 4.18Å; W247-M264 HydrophobicContact CH2-SD 4.06Å; W247-M264 HydrophobicContact CZ3-CE 4.13Å; W247-M264 HydrophobicContact CZ3-SD 4.35Å; W247-E278 PolarHBondContact NE1-OE1 2.98Å |
| 248 | D | 94.8 | Very high | 93.9 | Very high | 90 Ų | 90 | 70.9 Ų | 70.9 | 48% | 0.481 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -72.6 | -38.3 | 179.1 | -67.8 | -16.2 | 0 | 0 | 0 | 112.1 | Q244 Q245 L246 Q251 R257 | Q244-D248 PolarHBondContact O-N 3.13Å; Q245-D248 PolarHBondContact O-N 3.34Å; L246-D248 VanDerWaalsContact C-N 3.31Å; L246-D248 PolarHBondContact O-N 3.38Å; D248-Q251 PolarHBondContact O-NE2 3.19Å; D248-R257 IonicContact OD1-CZ 3.09Å; D248-R257 IonicContact OD1-NH1 3.86Å; D248-R257 PolarHBondContact OD1-NH1 3.42Å; D248-R257 IonicContact OD1-NH2 2.63Å |
| 249 | R | 93.1 | Very high | 93.6 | Very high | 150 Ų | 150 | 74.4 Ų | 74.4 | 57% | 0.566 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -69.7 | -41.4 | 176.4 | -72.6 | 178.8 | 70.6 | -172.6 | 2 | 112.9 | Q245 L246 Q251 E328 | Q245-R249 WeakPolarHBondContact O-CB 3.43Å; Q245-R249 VanDerWaalsContact O-CG 3.23Å; Q245-R249 WeakPolarHBondContact O-CG 3.49Å; Q245-R249 PolarHBondContact O-N 2.96Å; L246-R249 PolarHBondContact O-N 3.49Å; R249-Q251 VanDerWaalsContact C-N 3.35Å; R249-E328 IonicContact CZ-OE1 3.28Å; R249-E328 IonicContact NH1-OE1 2.86Å; R249-E328 IonicContact NH2-OE1 3.08Å; R249-E328 PolarHBondContact NH2-OE1 3.39Å; R249-E328 IonicContact NH2-OE2 2.9Å |
| 250 | L | 92.9 | Very high | 93.4 | Very high | 34 Ų | 34 | 73.5 Ų | 73.5 | 18% | 0.178 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -87.4 | -6 | -178.3 | -62.3 | 172.1 | 0 | 0 | 0 | 113 | L246 V252 L282 L285 Q286 | L246-L250 VanDerWaalsContact O-CB 3.24Å; L246-L250 WeakPolarHBondContact O-CB 3.44Å; L246-L250 WeakPolarHBondContact O-CG 3.44Å; L246-L250 PolarHBondContact O-N 3.31Å; L250-V252 VanDerWaalsContact C-N 3.31Å; L250-V252 HydrophobicContact CB-CG2 3.99Å; L250-V252 PolarHBondContact O-N 3.21Å; L250-L282 HydrophobicContact CD1-CB 4.37Å; L250-L282 HydrophobicContact CD1-CD2 4.14Å; L250-L282 WeakPolarHBondContact CD1-O 3.36Å; L250-L285 HydrophobicContact CD1-CB 4.38Å; L250-L285 HydrophobicContact CD1-CD2 4.2Å; L250-L285 HydrophobicContact CD1-CG 4.31Å; L250-Q286 HydrophobicContact CD1-CB 4.31Å; L250-Q286 HydrophobicContact CD2-CB 3.98Å; L250-Q286 HydrophobicContact CD2-CG 4.29Å |
| 251 | Q | 93.4 | Very high | 93.1 | Very high | 150 Ų | 150 | 77.3 Ų | 77.3 | 70% | 0.701 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 45.2 | -178.4 | -61.2 | -71 | -44.1 | 0 | 0 | 112.1 | W247 D248 R249 | W247-Q251 WeakPolarHBondContact O-CA 3.47Å; W247-Q251 PolarHBondContact O-N 2.9Å; D248-Q251 PolarHBondContact O-NE2 3.19Å; R249-Q251 VanDerWaalsContact C-N 3.35Å |
| 252 | V | 91.9 | Very high | 92.7 | Very high | 8 Ų | 8 | 77.8 Ų | 77.8 | 5% | 0.048 | 37% | 0.37 | C | S | . | . | trans | -64.1 | 131 | -179.4 | 178.2 | 0 | 0 | 0 | 0 | 110 | W247 L250 E256 R257 L282 | W247-V252 HydrophobicContact CB-CB 4.44Å; W247-V252 HydrophobicContact CG-CB 4.29Å; W247-V252 PolarHBondContact O-N 3.22Å; L250-V252 VanDerWaalsContact C-N 3.31Å; L250-V252 HydrophobicContact CB-CG2 3.99Å; L250-V252 PolarHBondContact O-N 3.21Å; V252-E256 HydrophobicContact CG1-CB 3.75Å; V252-R257 HydrophobicContact CG1-CG 4.4Å; V252-R257 PolarHBondContact O-NE 3.12Å; V252-R257 PolarHBondContact O-NH2 2.98Å; V252-R257 VanDerWaalsContact O-NH2 3.13Å; V252-L282 HydrophobicContact CG2-CD2 3.92Å | ||
| 253 | P | 92.7 | Very high | 92.4 | Very high | 59 Ų | 59 | 75.9 Ų | 75.9 | 38% | 0.383 | 36% | 0.363 | S | S | . | . | trans | -58.6 | 150.7 | -179.5 | -23.3 | 33 | 0 | 0 | 0 | 113.2 | E255 E256 R257 | P253-E255 VanDerWaalsContact CB-OE2 3.24Å; P253-E255 WeakPolarHBondContact CB-OE2 3.48Å; P253-E255 PolarHBondContact O-N 2.88Å; P253-E256 PolarHBondContact O-N 2.91Å; P253-R257 WeakPolarHBondContact O-CG 2.92Å; P253-R257 PolarHBondContact O-N 3.45Å | ||
| 254 | Q | 90.8 | Very high | 92 | Very high | 102 Ų | 102 | 77.4 Ų | 77.4 | 48% | 0.477 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.7 | -34.2 | -176.6 | -174.6 | 61.4 | 26.8 | 0 | 0 | 112 | E256 R257 E258 | Q254-E256 VanDerWaalsContact C-N 3.27Å; Q254-E256 PolarHBondContact O-N 3.36Å; Q254-R257 WeakPolarHBondContact O-CB 3.15Å; Q254-R257 PolarHBondContact O-N 2.99Å; Q254-R257 VanDerWaalsContact O-N 3.14Å; Q254-E258 HydrophobicContact CG-CG 4.39Å; Q254-E258 WeakPolarHBondContact O-CG 3.45Å; Q254-E258 PolarHBondContact O-N 3.2Å |
| 255 | E | 92 | Very high | 91.6 | Very high | 134 Ų | 134 | 78.4 Ų | 78.4 | 63% | 0.626 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -61.3 | -36 | 179 | -58.3 | 81.8 | -179.6 | 0 | 0 | 112 | P253 | P253-E255 VanDerWaalsContact CB-OE2 3.24Å; P253-E255 WeakPolarHBondContact CB-OE2 3.48Å; P253-E255 PolarHBondContact O-N 2.88Å |
| 256 | E | 90.2 | Very high | 91.2 | Very high | 83 Ų | 83 | 74.2 Ų | 74.2 | 39% | 0.388 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -74.4 | -38.3 | 175.6 | -71.1 | -178.1 | -138.5 | 0 | 0 | 111.5 | V252 P253 Q254 E258 L259 R281 | V252-E256 HydrophobicContact CG1-CB 3.75Å; P253-E256 PolarHBondContact O-N 2.91Å; Q254-E256 VanDerWaalsContact C-N 3.27Å; Q254-E256 PolarHBondContact O-N 3.36Å; E256-E258 VanDerWaalsContact C-N 3.27Å; E256-E258 PolarHBondContact O-N 2.91Å; E256-L259 WeakPolarHBondContact O-CB 3.42Å; E256-L259 PolarHBondContact O-N 3.26Å; E256-R281 IonicContact OE2-NH1 3.98Å; E256-R281 IonicContact OE2-NH2 2.66Å |
| 257 | R | 91.4 | Very high | 90.9 | Very high | 42 Ų | 42 | 74.8 Ų | 74.8 | 16% | 0.158 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -61.5 | -38.8 | 175.7 | -57.9 | -175 | -165.9 | -149.9 | -1.1 | 111.3 | W247 D248 V252 P253 Q254 L259 L260 | W247-R257 HydrophobicContact CD2-CB 4.38Å; W247-R257 HydrophobicContact CD2-CG 3.7Å; W247-R257 HydrophobicContact CE3-CB 4.23Å; W247-R257 HydrophobicContact CE3-CG 3.84Å; W247-R257 HydrophobicContact CG-CG 4.15Å; W247-R257 HydrophobicContact CH2-CB 3.94Å; W247-R257 HydrophobicContact CH2-CG 4.33Å; W247-R257 HydrophobicContact CZ2-CB 4.09Å; W247-R257 HydrophobicContact CZ2-CG 4.21Å; W247-R257 HydrophobicContact CZ3-CB 4.02Å; W247-R257 HydrophobicContact CZ3-CG 4.16Å; W247-R257 PolarHBondContact O-NH2 3.3Å; W247-R257 VanDerWaalsContact O-NH2 3.07Å; D248-R257 IonicContact OD1-CZ 3.09Å; D248-R257 IonicContact OD1-NH1 3.86Å; D248-R257 PolarHBondContact OD1-NH1 3.42Å; D248-R257 IonicContact OD1-NH2 2.63Å; V252-R257 HydrophobicContact CG1-CG 4.4Å; V252-R257 PolarHBondContact O-NE 3.12Å; V252-R257 PolarHBondContact O-NH2 2.98Å; V252-R257 VanDerWaalsContact O-NH2 3.13Å; P253-R257 WeakPolarHBondContact O-CG 2.92Å; P253-R257 PolarHBondContact O-N 3.45Å; Q254-R257 WeakPolarHBondContact O-CB 3.15Å; Q254-R257 PolarHBondContact O-N 2.99Å; Q254-R257 VanDerWaalsContact O-N 3.14Å; R257-L259 PolarHBondContact O-N 3.44Å; R257-L260 PolarHBondContact O-N 3.1Å; R257-L260 VanDerWaalsContact O-N 3.1Å |
| 258 | E | 90.7 | Very high | 90.4 | Very high | 104 Ų | 104 | 79.6 Ų | 79.6 | 49% | 0.486 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -63.1 | -28.7 | -178.2 | -77.3 | 174.4 | -169.3 | 0 | 0 | 113.5 | Q254 E256 L260 N261 | Q254-E258 HydrophobicContact CG-CG 4.39Å; Q254-E258 WeakPolarHBondContact O-CG 3.45Å; Q254-E258 PolarHBondContact O-N 3.2Å; E256-E258 VanDerWaalsContact C-N 3.27Å; E256-E258 PolarHBondContact O-N 2.91Å; E258-L260 PolarHBondContact O-N 2.83Å; E258-N261 WeakPolarHBondContact CA-ND2 3.35Å; E258-N261 WeakPolarHBondContact O-CB 3.35Å; E258-N261 PolarHBondContact O-N 2.93Å; E258-N261 PolarHBondContact O-ND2 3.41Å |
| 259 | L | 90.1 | Very high | 90 | Very high | 147 Ų | 147 | 82.2 Ų | 82.2 | 77% | 0.77 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -24 | 176.2 | -62.3 | 175 | 0 | 0 | 0 | 112.6 | E256 R257 | E256-L259 WeakPolarHBondContact O-CB 3.42Å; E256-L259 PolarHBondContact O-N 3.26Å; R257-L259 PolarHBondContact O-N 3.44Å |
| 260 | L | 91.8 | Very high | 89.7 | Confident | 18 Ų | 18 | 80.6 Ų | 80.6 | 9% | 0.094 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | -2.2 | -178.1 | -153.2 | 76.2 | 0 | 0 | 0 | 113.4 | I243 W247 R257 E258 E262 H263 M264 L275 E278 | I243-L260 HydrophobicContact CD1-CD2 4.01Å; I243-L260 HydrophobicContact CG2-CD2 4.22Å; W247-L260 HydrophobicContact CH2-CB 4.14Å; W247-L260 HydrophobicContact CH2-CD2 4Å; W247-L260 HydrophobicContact CZ2-CB 4.08Å; W247-L260 HydrophobicContact CZ2-CD2 3.76Å; R257-L260 PolarHBondContact O-N 3.1Å; R257-L260 VanDerWaalsContact O-N 3.1Å; E258-L260 PolarHBondContact O-N 2.83Å; L260-E262 PolarHBondContact O-N 3.23Å; L260-E262 VanDerWaalsContact O-N 3.09Å; L260-H263 HydrophobicContact CD1-CB 4.39Å; L260-H263 HydrophobicContact CG-CB 4.23Å; L260-H263 PolarHBondContact O-N 3.25Å; L260-M264 HydrophobicContact CD2-CG 4.38Å; L260-M264 HydrophobicContact CD2-SD 3.93Å; L260-M264 HydrophobicContact CG-CG 4.49Å; L260-M264 WeakPolarHBondContact O-CG 3.4Å; L260-M264 PolarHBondContact O-N 3.45Å; L260-M264 VanDerWaalsContact O-N 3.08Å; L260-L275 HydrophobicContact CD2-CD2 4.13Å; L260-E278 HydrophobicContact CD1-CB 4.23Å; L260-E278 HydrophobicContact CD2-CB 4.12Å; L260-E278 HydrophobicContact CD2-CG 3.83Å |
| 261 | N | 89.3 | Confident | 89.6 | Confident | 85 Ų | 85 | 79 Ų | 79 | 46% | 0.455 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53 | -37.7 | -172.6 | -82 | -18.3 | 0 | 0 | 0 | 114 | E258 H263 M264 | E258-N261 WeakPolarHBondContact CA-ND2 3.35Å; E258-N261 WeakPolarHBondContact O-CB 3.35Å; E258-N261 PolarHBondContact O-N 2.93Å; E258-N261 PolarHBondContact O-ND2 3.41Å; N261-H263 VanDerWaalsContact C-N 3.31Å; N261-H263 PolarHBondContact O-N 3.5Å; N261-M264 PolarHBondContact O-N 2.87Å |
| 262 | E | 88.3 | Confident | 89.5 | Confident | 108 Ų | 108 | 73 Ų | 73 | 51% | 0.505 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -40.7 | 177.4 | -174.8 | 179.3 | 166.1 | 0 | 0 | 111.9 | L260 A266 R270 | L260-E262 PolarHBondContact O-N 3.23Å; L260-E262 VanDerWaalsContact O-N 3.09Å; E262-A266 PolarHBondContact O-N 3.39Å; E262-R270 IonicContact OE1-CZ 2.58Å; E262-R270 IonicContact OE1-NH1 3.83Å; E262-R270 PolarHBondContact OE1-NH1 3.32Å; E262-R270 IonicContact OE1-NH2 2.78Å; E262-R270 PolarHBondContact OE1-NH2 3.09Å |
| 263 | H | 89.2 | Confident | 89.5 | Confident | 35 Ų | 35 | 77.1 Ų | 77.1 | 16% | 0.162 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -16.8 | -179 | -54 | -61.1 | 0 | 0 | 0 | 112.8 | L260 N261 V265 N271 A274 L275 | L260-H263 HydrophobicContact CD1-CB 4.39Å; L260-H263 HydrophobicContact CG-CB 4.23Å; L260-H263 PolarHBondContact O-N 3.25Å; N261-H263 VanDerWaalsContact C-N 3.31Å; N261-H263 PolarHBondContact O-N 3.5Å; H263-V265 PolarHBondContact O-N 3.19Å; H263-N271 HydrophobicContact CB-CB 4.24Å; H263-N271 PolarHBondContact ND1-OD1 2.99Å; H263-A274 HydrophobicContact CB-CB 4.38Å; H263-L275 HydrophobicContact CB-CD2 4.34Å; H263-L275 HydrophobicContact CB-CG 4.41Å |
| 264 | M | 87.2 | Confident | 89.5 | Confident | 32 Ų | 32 | 75.4 Ų | 75.4 | 16% | 0.158 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -8.4 | 175.8 | -67.1 | -59.3 | -68.8 | 0 | 0 | 113.8 | R240 Q244 W247 L260 N261 L275 | R240-M264 HydrophobicContact CB-CE 3.86Å; R240-M264 HydrophobicContact CB-SD 4.34Å; R240-M264 WeakPolarHBondContact CD-O 3.1Å; R240-M264 HydrophobicContact CG-CE 3.92Å; R240-M264 HydrophobicContact CG-SD 3.81Å; Q244-M264 HydrophobicContact CG-CE 4.13Å; W247-M264 HydrophobicContact CH2-CE 4.44Å; W247-M264 HydrophobicContact CH2-CG 4.18Å; W247-M264 HydrophobicContact CH2-SD 4.06Å; W247-M264 HydrophobicContact CZ3-CE 4.13Å; W247-M264 HydrophobicContact CZ3-SD 4.35Å; L260-M264 HydrophobicContact CD2-CG 4.38Å; L260-M264 HydrophobicContact CD2-SD 3.93Å; L260-M264 HydrophobicContact CG-CG 4.49Å; L260-M264 WeakPolarHBondContact O-CG 3.4Å; L260-M264 PolarHBondContact O-N 3.45Å; L260-M264 VanDerWaalsContact O-N 3.08Å; N261-M264 PolarHBondContact O-N 2.87Å; M264-L275 HydrophobicContact SD-CD2 4.03Å |
| 265 | V | 87.6 | Confident | 89.8 | Confident | 121 Ų | 121 | 70.5 Ų | 70.5 | 73% | 0.733 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.8 | -41.9 | -178.1 | -178.9 | 0 | 0 | 0 | 0 | 112.2 | H263 | H263-V265 PolarHBondContact O-N 3.19Š|
| 266 | A | 86.9 | Confident | 89.9 | Confident | 35 Ų | 35 | 68.4 Ų | 68.4 | 29% | 0.289 | 33% | 0.33 | S | S | . | . | trans | -94.6 | 151.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | R240 E262 N271 | R240-A266 PolarHBondContact NH1-O 3.42Å; E262-A266 PolarHBondContact O-N 3.39Å; A266-N271 WeakPolarHBondContact CB-ND2 3.08Å; A266-N271 WeakPolarHBondContact O-CB 3.34Å; A266-N271 PolarHBondContact O-ND2 3.36Å | ||
| 267 | S | 88.4 | Confident | 90.2 | Very high | 21 Ų | 21 | 69 Ų | 69 | 15% | 0.147 | 34% | 0.34 | C | S | . | . | trans | -124.3 | 32.7 | -175.2 | -52.6 | 0 | 0 | 0 | 0 | 114 | E233 R240 N271 | E233-S267 PolarHBondContact OE1-OG 3.33Å; E233-S267 WeakPolarHBondContact OE2-CB 3.25Å; E233-S267 PolarHBondContact OE2-OG 3.22Å; R240-S267 PolarHBondContact NH1-OG 3.33Å; R240-S267 PolarHBondContact NH2-OG 3.27Å; S267-N271 PolarHBondContact N-ND2 3.29Å | ||
| 268 | R | 86.4 | Confident | 90.4 | Very high | 113 Ų | 113 | 68.2 Ų | 68.2 | 43% | 0.426 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -69.5 | 164.8 | 170.4 | -58.8 | -167.1 | -176.4 | -178.3 | -2.6 | 110.9 | R270 N271 L272 | R268-R270 VanDerWaalsContact C-N 3.31Å; R268-R270 HydrophobicContact CB-CG 4.32Å; R268-R270 PolarHBondContact O-N 2.95Å; R268-N271 PolarHBondContact N-ND2 2.92Å; R268-N271 VanDerWaalsContact N-ND2 3.18Å; R268-N271 WeakPolarHBondContact O-CA 3.22Å; R268-N271 WeakPolarHBondContact O-CB 3.22Å; R268-N271 PolarHBondContact O-N 2.98Å; R268-L272 PolarHBondContact O-N 3.31Å; R268-L272 VanDerWaalsContact O-N 3.13Å |
| 269 | R | 85.2 | Confident | 90.6 | Very high | 146 Ų | 146 | 63.6 Ų | 63.6 | 55% | 0.551 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -50.4 | -47.8 | 178.5 | -177.4 | 178 | -178.9 | 139.3 | 4.2 | 113.2 | D189 N271 L272 E273 | D189-R269 HydrophobicContact CB-CB 4.36Å; R269-N271 PolarHBondContact O-N 3.11Å; R269-L272 WeakPolarHBondContact O-CB 3.43Å; R269-L272 PolarHBondContact O-N 3.4Å; R269-L272 VanDerWaalsContact O-N 3.15Å; R269-E273 IonicContact NE-OE1 3.69Å; R269-E273 PolarHBondContact NE-OE1 2.78Å; R269-E273 PolarHBondContact O-N 3.15Å; R269-E273 VanDerWaalsContact O-N 3.1Å |
| 270 | R | 87.7 | Confident | 90.9 | Very high | 115 Ų | 115 | 61.6 Ų | 61.6 | 43% | 0.434 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -57.3 | -31.4 | 177.3 | 69.2 | -179.4 | -177.7 | 131 | 6.6 | 113.5 | E262 R268 A274 | E262-R270 IonicContact OE1-CZ 2.58Å; E262-R270 IonicContact OE1-NH1 3.83Å; E262-R270 PolarHBondContact OE1-NH1 3.32Å; E262-R270 IonicContact OE1-NH2 2.78Å; E262-R270 PolarHBondContact OE1-NH2 3.09Å; R268-R270 VanDerWaalsContact C-N 3.31Å; R268-R270 HydrophobicContact CB-CG 4.32Å; R268-R270 PolarHBondContact O-N 2.95Å; R270-A274 WeakPolarHBondContact O-CB 3.45Å; R270-A274 PolarHBondContact O-N 2.96Å |
| 271 | N | 90.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -78.3 | -40.1 | -180 | -54.5 | -33.6 | 0 | 0 | 0 | 110.6 | H263 A266 S267 R268 R269 E273 A274 L275 | H263-N271 HydrophobicContact CB-CB 4.24Å; H263-N271 PolarHBondContact ND1-OD1 2.99Å; A266-N271 WeakPolarHBondContact CB-ND2 3.08Å; A266-N271 WeakPolarHBondContact O-CB 3.34Å; A266-N271 PolarHBondContact O-ND2 3.36Å; S267-N271 PolarHBondContact N-ND2 3.29Å; R268-N271 PolarHBondContact N-ND2 2.92Å; R268-N271 VanDerWaalsContact N-ND2 3.18Å; R268-N271 WeakPolarHBondContact O-CA 3.22Å; R268-N271 WeakPolarHBondContact O-CB 3.22Å; R268-N271 PolarHBondContact O-N 2.98Å; R269-N271 PolarHBondContact O-N 3.11Å; N271-E273 VanDerWaalsContact C-N 3.31Å; N271-E273 PolarHBondContact O-N 3.47Å; N271-A274 PolarHBondContact O-N 3.27Å; N271-L275 WeakPolarHBondContact O-CB 3.48Å; N271-L275 WeakPolarHBondContact O-CG 3.42Å; N271-L275 PolarHBondContact O-N 3.47Å |
| 272 | L | 90.9 | Very high | 91.4 | Very high | 25 Ų | 25 | 60.7 Ų | 60.7 | 13% | 0.131 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -57 | -47.2 | 173.9 | 178.3 | 60.5 | 0 | 0 | 0 | 111.2 | I235 R268 R269 A274 L275 Q276 | I235-L272 HydrophobicContact CB-CD1 4.39Å; I235-L272 HydrophobicContact CG2-CD1 3.58Å; R268-L272 PolarHBondContact O-N 3.31Å; R268-L272 VanDerWaalsContact O-N 3.13Å; R269-L272 WeakPolarHBondContact O-CB 3.43Å; R269-L272 PolarHBondContact O-N 3.4Å; R269-L272 VanDerWaalsContact O-N 3.15Å; L272-A274 VanDerWaalsContact C-N 3.34Å; L272-A274 PolarHBondContact O-N 3.35Å; L272-L275 PolarHBondContact O-N 3.35Å; L272-Q276 HydrophobicContact CD1-CG 4.35Å; L272-Q276 WeakPolarHBondContact O-CB 3.46Å; L272-Q276 WeakPolarHBondContact O-CG 3.33Å; L272-Q276 PolarHBondContact O-N 2.87Å |
| 273 | E | 91.7 | Very high | 91.7 | Very high | 95 Ų | 95 | 59.1 Ų | 59.1 | 44% | 0.444 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.6 | -41.3 | 177.5 | -68.2 | 172.8 | -173.1 | 0 | 0 | 111.8 | R269 N271 T277 | R269-E273 IonicContact NE-OE1 3.69Å; R269-E273 PolarHBondContact NE-OE1 2.78Å; R269-E273 PolarHBondContact O-N 3.15Å; R269-E273 VanDerWaalsContact O-N 3.1Å; N271-E273 VanDerWaalsContact C-N 3.31Å; N271-E273 PolarHBondContact O-N 3.47Å; E273-T277 WeakPolarHBondContact O-CB 3.44Å; E273-T277 PolarHBondContact O-N 3.32Å; E273-T277 PolarHBondContact O-OG1 3.25Å |
| 274 | A | 93.8 | Very high | 91.9 | Very high | 22 Ų | 22 | 62.1 Ų | 62.1 | 18% | 0.182 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.9 | -43.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | H263 R270 N271 L272 T277 E278 | H263-A274 HydrophobicContact CB-CB 4.38Å; R270-A274 WeakPolarHBondContact O-CB 3.45Å; R270-A274 PolarHBondContact O-N 2.96Å; N271-A274 PolarHBondContact O-N 3.27Å; L272-A274 VanDerWaalsContact C-N 3.34Å; L272-A274 PolarHBondContact O-N 3.35Å; A274-T277 PolarHBondContact O-N 3.42Å; A274-E278 PolarHBondContact O-N 2.69Å |
| 275 | L | 95.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.2 | -43 | 177.1 | -69.2 | 170.2 | 0 | 0 | 0 | 111.2 | C236 H239 R240 I243 L260 H263 M264 N271 L272 T277 E278 V279 | C236-L275 HydrophobicContact CB-CD1 3.83Å; H239-L275 HydrophobicContact CB-CB 3.99Å; R240-L275 HydrophobicContact CG-CD1 3.96Å; R240-L275 HydrophobicContact CG-CD2 3.79Å; I243-L275 HydrophobicContact CD1-CB 4.18Å; I243-L275 HydrophobicContact CD1-CD2 3.53Å; I243-L275 HydrophobicContact CD1-CG 4.47Å; L260-L275 HydrophobicContact CD2-CD2 4.13Å; H263-L275 HydrophobicContact CB-CD2 4.34Å; H263-L275 HydrophobicContact CB-CG 4.41Å; M264-L275 HydrophobicContact SD-CD2 4.03Å; N271-L275 WeakPolarHBondContact O-CB 3.48Å; N271-L275 WeakPolarHBondContact O-CG 3.42Å; N271-L275 PolarHBondContact O-N 3.47Å; L272-L275 PolarHBondContact O-N 3.35Å; L275-T277 VanDerWaalsContact C-N 3.35Å; L275-T277 PolarHBondContact O-N 2.91Å; L275-E278 PolarHBondContact O-N 2.63Å; L275-V279 WeakPolarHBondContact O-CG2 3.45Å; L275-V279 PolarHBondContact O-N 3.05Å |
| 276 | Q | 95.4 | Very high | 92.6 | Very high | 89 Ų | 89 | 59.3 Ų | 59.3 | 42% | 0.416 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.5 | -43.6 | 175.6 | -76.2 | 177.2 | -12.8 | 0 | 0 | 112.1 | H239 L272 E278 V279 H280 | H239-Q276 WeakPolarHBondContact NE2-CG 3.47Å; L272-Q276 HydrophobicContact CD1-CG 4.35Å; L272-Q276 WeakPolarHBondContact O-CB 3.46Å; L272-Q276 WeakPolarHBondContact O-CG 3.33Å; L272-Q276 PolarHBondContact O-N 2.87Å; Q276-E278 VanDerWaalsContact C-N 3.32Å; Q276-E278 PolarHBondContact O-N 3.27Å; Q276-V279 PolarHBondContact O-N 3.32Å; Q276-H280 PolarHBondContact O-N 3.36Å |
| 277 | T | 95.6 | Very high | 92.9 | Very high | 97 Ų | 97 | 61.8 Ų | 61.8 | 60% | 0.595 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -61.4 | -43.1 | 177.1 | -57.8 | 0 | 0 | 0 | 0 | 111 | E273 A274 L275 H280 R281 | E273-T277 WeakPolarHBondContact O-CB 3.44Å; E273-T277 PolarHBondContact O-N 3.32Å; E273-T277 PolarHBondContact O-OG1 3.25Å; A274-T277 PolarHBondContact O-N 3.42Å; L275-T277 VanDerWaalsContact C-N 3.35Å; L275-T277 PolarHBondContact O-N 2.91Å; T277-H280 PolarHBondContact O-N 3.14Å; T277-R281 WeakPolarHBondContact O-CB 3.33Å; T277-R281 PolarHBondContact O-N 3.28Å |
| 278 | E | 95.1 | Very high | 93.1 | Very high | 24 Ų | 24 | 64.5 Ų | 64.5 | 11% | 0.112 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -68.4 | -41.8 | 178.2 | -179.3 | 64.5 | -175.5 | 0 | 0 | 112.4 | I243 W247 L260 A274 L275 Q276 H280 R281 L282 | I243-E278 HydrophobicContact CD1-CB 4.18Å; I243-E278 HydrophobicContact CD1-CG 4.18Å; I243-E278 HydrophobicContact CG1-CG 4.25Å; I243-E278 HydrophobicContact CG2-CG 4.37Å; W247-E278 PolarHBondContact NE1-OE1 2.98Å; L260-E278 HydrophobicContact CD1-CB 4.23Å; L260-E278 HydrophobicContact CD2-CB 4.12Å; L260-E278 HydrophobicContact CD2-CG 3.83Å; A274-E278 PolarHBondContact O-N 2.69Å; L275-E278 PolarHBondContact O-N 2.63Å; Q276-E278 VanDerWaalsContact C-N 3.32Å; Q276-E278 PolarHBondContact O-N 3.27Å; E278-H280 VanDerWaalsContact C-N 3.28Å; E278-H280 PolarHBondContact O-N 2.96Å; E278-R281 PolarHBondContact O-N 3.43Å; E278-R281 IonicContact OE1-CZ 2.63Å; E278-R281 IonicContact OE1-NE 3.02Å; E278-R281 PolarHBondContact OE1-NE 3.05Å; E278-R281 IonicContact OE1-NH2 3.98Å; E278-R281 PolarHBondContact OE1-NH2 3.45Å; E278-R281 IonicContact OE2-CZ 3.95Å; E278-R281 IonicContact OE2-NE 2.69Å; E278-R281 PolarHBondContact OE2-NE 3.35Å; E278-R281 IonicContact OE2-NH2 2.96Å; E278-L282 HydrophobicContact CG-CD1 3.87Å; E278-L282 HydrophobicContact CG-CG 4.24Å; E278-L282 WeakPolarHBondContact O-CB 3.41Å; E278-L282 VanDerWaalsContact O-CG 3.3Å; E278-L282 WeakPolarHBondContact O-CG 3.47Å; E278-L282 PolarHBondContact O-N 3.44Å; E278-L282 WeakPolarHBondContact OE1-CG 3.4Å |
| 279 | V | 96.3 | Very high | 93.5 | Very high | 8 Ų | 8 | 62.3 Ų | 62.3 | 5% | 0.048 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -54.7 | -49.2 | 173.4 | 167.8 | 0 | 0 | 0 | 0 | 110.1 | H239 K242 I243 L275 Q276 R281 L282 E283 | H239-V279 HydrophobicContact CB-CG2 4.2Å; K242-V279 HydrophobicContact CD-CG1 3.79Å; K242-V279 HydrophobicContact CD-CG2 4.37Å; I243-V279 HydrophobicContact CD1-CG2 3.93Å; I243-V279 HydrophobicContact CG1-CG2 3.56Å; L275-V279 WeakPolarHBondContact O-CG2 3.45Å; L275-V279 PolarHBondContact O-N 3.05Å; Q276-V279 PolarHBondContact O-N 3.32Å; V279-R281 PolarHBondContact O-N 2.9Å; V279-L282 PolarHBondContact O-N 3.4Å; V279-E283 HydrophobicContact CG1-CG 4.43Å; V279-E283 WeakPolarHBondContact O-CG 3.15Å; V279-E283 PolarHBondContact O-N 2.99Å |
| 280 | H | 96.2 | Very high | 93.9 | Very high | 104 Ų | 104 | 56.2 Ų | 56.2 | 48% | 0.481 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.2 | -47.2 | -179.9 | -176.3 | 51.1 | 0 | 0 | 0 | 111.8 | Q276 T277 E278 L282 E283 E284 | Q276-H280 PolarHBondContact O-N 3.36Å; T277-H280 PolarHBondContact O-N 3.14Å; E278-H280 VanDerWaalsContact C-N 3.28Å; E278-H280 PolarHBondContact O-N 2.96Å; H280-L282 VanDerWaalsContact C-N 3.31Å; H280-L282 PolarHBondContact O-N 2.87Å; H280-E283 PolarHBondContact O-N 3.04Å; H280-E284 IonicContact CE1-OE1 3.75Å; H280-E284 IonicContact NE2-OE1 3.58Å; H280-E284 PolarHBondContact NE2-OE1 3.33Å; H280-E284 WeakPolarHBondContact O-CG 3.44Å; H280-E284 PolarHBondContact O-N 3.08Å |
| 281 | R | 95.9 | Very high | 94.3 | Very high | 84 Ų | 84 | 56 Ų | 56 | 32% | 0.317 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -57.8 | -42.5 | 177 | -170 | -163.6 | 72.6 | 89.9 | -6.4 | 112.2 | E256 T277 E278 V279 L285 | E256-R281 IonicContact OE2-NH1 3.98Å; E256-R281 IonicContact OE2-NH2 2.66Å; T277-R281 WeakPolarHBondContact O-CB 3.33Å; T277-R281 PolarHBondContact O-N 3.28Å; E278-R281 PolarHBondContact O-N 3.43Å; E278-R281 IonicContact OE1-CZ 2.63Å; E278-R281 IonicContact OE1-NE 3.02Å; E278-R281 PolarHBondContact OE1-NE 3.05Å; E278-R281 IonicContact OE1-NH2 3.98Å; E278-R281 PolarHBondContact OE1-NH2 3.45Å; E278-R281 IonicContact OE2-CZ 3.95Å; E278-R281 IonicContact OE2-NE 2.69Å; E278-R281 PolarHBondContact OE2-NE 3.35Å; E278-R281 IonicContact OE2-NH2 2.96Å; V279-R281 PolarHBondContact O-N 2.9Å; R281-L285 WeakPolarHBondContact O-CB 3.48Å; R281-L285 PolarHBondContact O-N 2.78Å |
| 282 | L | 95.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -70.4 | -37.5 | 179.4 | -70.4 | 172 | 0 | 0 | 0 | 112.3 | I243 L246 L250 V252 E278 V279 H280 L285 Q286 | I243-L282 HydrophobicContact CB-CD1 4.4Å; I243-L282 HydrophobicContact CG1-CD1 4.29Å; I243-L282 HydrophobicContact CG2-CD1 4.03Å; L246-L282 HydrophobicContact CB-CB 4.07Å; L246-L282 HydrophobicContact CB-CD1 3.93Å; L246-L282 HydrophobicContact CD1-CB 3.7Å; L246-L282 HydrophobicContact CD1-CD1 4.37Å; L246-L282 HydrophobicContact CG-CB 4.44Å; L250-L282 HydrophobicContact CD1-CB 4.37Å; L250-L282 HydrophobicContact CD1-CD2 4.14Å; L250-L282 WeakPolarHBondContact CD1-O 3.36Å; V252-L282 HydrophobicContact CG2-CD2 3.92Å; E278-L282 HydrophobicContact CG-CD1 3.87Å; E278-L282 HydrophobicContact CG-CG 4.24Å; E278-L282 WeakPolarHBondContact O-CB 3.41Å; E278-L282 VanDerWaalsContact O-CG 3.3Å; E278-L282 WeakPolarHBondContact O-CG 3.47Å; E278-L282 PolarHBondContact O-N 3.44Å; E278-L282 WeakPolarHBondContact OE1-CG 3.4Å; V279-L282 PolarHBondContact O-N 3.4Å; H280-L282 VanDerWaalsContact C-N 3.31Å; H280-L282 PolarHBondContact O-N 2.87Å; L282-L285 PolarHBondContact O-N 2.9Å; L282-Q286 PolarHBondContact O-N 3.35Å |
| 283 | E | 94.3 | Very high | 94.6 | Very high | 76 Ų | 76 | 62.7 Ų | 62.7 | 36% | 0.355 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.1 | -42.6 | 173.2 | -73.4 | 179.5 | 146.3 | 0 | 0 | 111.8 | K242 L246 V279 H280 L285 Q286 L287 | K242-E283 WeakPolarHBondContact CE-OE1 3.49Å; K242-E283 IonicContact NZ-OE1 3.44Å; K242-E283 PolarHBondContact NZ-OE1 3.15Å; L246-E283 HydrophobicContact CD1-CG 4.18Å; V279-E283 HydrophobicContact CG1-CG 4.43Å; V279-E283 WeakPolarHBondContact O-CG 3.15Å; V279-E283 PolarHBondContact O-N 2.99Å; H280-E283 PolarHBondContact O-N 3.04Å; E283-L285 VanDerWaalsContact C-N 3.33Å; E283-L285 PolarHBondContact O-N 2.9Å; E283-Q286 WeakPolarHBondContact O-CB 3.5Å; E283-Q286 PolarHBondContact O-N 3.19Å; E283-L287 WeakPolarHBondContact O-CB 3.47Å; E283-L287 PolarHBondContact O-N 2.82Å |
| 284 | E | 94.3 | Very high | 94.9 | Very high | 98 Ų | 98 | 58.1 Ų | 58.1 | 46% | 0.458 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.2 | -41.1 | 173.4 | -72.5 | -170.8 | 149.5 | 0 | 0 | 111.8 | H280 L287 N288 | H280-E284 IonicContact CE1-OE1 3.75Å; H280-E284 IonicContact NE2-OE1 3.58Å; H280-E284 PolarHBondContact NE2-OE1 3.33Å; H280-E284 WeakPolarHBondContact O-CG 3.44Å; H280-E284 PolarHBondContact O-N 3.08Å; E284-L287 PolarHBondContact O-N 3.34Å; E284-N288 WeakPolarHBondContact O-CB 3.42Å; E284-N288 VanDerWaalsContact O-CG 3.32Å; E284-N288 PolarHBondContact O-N 3.04Å; E284-N288 PolarHBondContact O-ND2 2.88Å |
| 285 | L | 94.5 | Very high | 94.9 | Very high | 57 Ų | 57 | 60.7 Ų | 60.7 | 30% | 0.298 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.9 | -42.3 | 175.5 | -178.3 | 60.2 | 0 | 0 | 0 | 111.6 | L250 R281 L282 E283 N288 N289 | L250-L285 HydrophobicContact CD1-CB 4.38Å; L250-L285 HydrophobicContact CD1-CD2 4.2Å; L250-L285 HydrophobicContact CD1-CG 4.31Å; R281-L285 WeakPolarHBondContact O-CB 3.48Å; R281-L285 PolarHBondContact O-N 2.78Å; L282-L285 PolarHBondContact O-N 2.9Å; E283-L285 VanDerWaalsContact C-N 3.33Å; E283-L285 PolarHBondContact O-N 2.9Å; L285-N288 PolarHBondContact O-N 3.08Å; L285-N289 WeakPolarHBondContact O-CB 3.45Å; L285-N289 PolarHBondContact O-N 3.29Å |
| 286 | Q | 93.6 | Very high | 95 | Very high | 37 Ų | 37 | 63.1 Ų | 63.1 | 17% | 0.173 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.2 | -47.4 | 174.7 | -175.3 | -176.8 | 9.6 | 0 | 0 | 111.3 | L250 L282 E283 N288 N289 I290 E328 | L250-Q286 HydrophobicContact CD1-CB 4.31Å; L250-Q286 HydrophobicContact CD2-CB 3.98Å; L250-Q286 HydrophobicContact CD2-CG 4.29Å; L282-Q286 PolarHBondContact O-N 3.35Å; E283-Q286 WeakPolarHBondContact O-CB 3.5Å; E283-Q286 PolarHBondContact O-N 3.19Å; Q286-N288 PolarHBondContact O-N 3.02Å; Q286-N289 PolarHBondContact O-N 3.46Å; Q286-I290 HydrophobicContact CG-CD1 4.24Å; Q286-I290 WeakPolarHBondContact O-CG1 3.32Å; Q286-I290 PolarHBondContact O-N 2.78Å; Q286-E328 PolarHBondContact NE2-OE1 2.97Å |
| 287 | L | 93.6 | Very high | 95 | Very high | 87 Ų | 87 | 59.4 Ų | 59.4 | 46% | 0.455 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.7 | -44.6 | 178.6 | -177 | 63.1 | 0 | 0 | 0 | 111.6 | E283 E284 N289 I290 R291 F326 | E283-L287 WeakPolarHBondContact O-CB 3.47Å; E283-L287 PolarHBondContact O-N 2.82Å; E284-L287 PolarHBondContact O-N 3.34Å; L287-N289 VanDerWaalsContact C-N 3.32Å; L287-N289 PolarHBondContact O-N 3.08Å; L287-I290 PolarHBondContact O-N 2.8Å; L287-R291 WeakPolarHBondContact O-CB 3.41Å; L287-R291 PolarHBondContact O-N 3.03Å; L287-F326 HydrophobicContact CD1-CB 3.88Å; L287-F326 WeakPolarHBondContact CD1-O 3.35Å |
| 288 | N | 93.6 | Very high | 95 | Very high | 78 Ų | 78 | 56.2 Ų | 56.2 | 42% | 0.417 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.6 | -38.6 | 176.5 | -77.7 | -33.8 | 0 | 0 | 0 | 112.1 | E284 L285 Q286 R291 N292 | E284-N288 WeakPolarHBondContact O-CB 3.42Å; E284-N288 VanDerWaalsContact O-CG 3.32Å; E284-N288 PolarHBondContact O-N 3.04Å; E284-N288 PolarHBondContact O-ND2 2.88Å; L285-N288 PolarHBondContact O-N 3.08Å; Q286-N288 PolarHBondContact O-N 3.02Å; N288-R291 PolarHBondContact O-N 2.99Å; N288-N292 WeakPolarHBondContact O-CB 3.37Å; N288-N292 PolarHBondContact O-N 2.93Å; N288-N292 PolarHBondContact O-ND2 3.35Å |
| 289 | N | 94.1 | Very high | 95.1 | Very high | 66 Ų | 66 | 58.8 Ų | 58.8 | 35% | 0.353 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.4 | -47.3 | 174.2 | -77.1 | -16.5 | 0 | 0 | 0 | 111.7 | L285 Q286 L287 R291 N292 V293 | L285-N289 WeakPolarHBondContact O-CB 3.45Å; L285-N289 PolarHBondContact O-N 3.29Å; Q286-N289 PolarHBondContact O-N 3.46Å; L287-N289 VanDerWaalsContact C-N 3.32Å; L287-N289 PolarHBondContact O-N 3.08Å; N289-R291 VanDerWaalsContact C-N 3.29Å; N289-R291 PolarHBondContact O-N 2.76Å; N289-N292 PolarHBondContact O-N 3.09Å; N289-V293 VanDerWaalsContact O-CG2 3.32Å; N289-V293 WeakPolarHBondContact O-CG2 3.25Å; N289-V293 PolarHBondContact O-N 2.58Å |
| 290 | I | 94.7 | Very high | 95.1 | Very high | 19 Ų | 19 | 62.4 Ų | 62.4 | 10% | 0.097 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -57.9 | -45.1 | 176.3 | -69.6 | 168.4 | 0 | 0 | 0 | 110.5 | Q286 L287 V293 T294 F326 E328 L331 | Q286-I290 HydrophobicContact CG-CD1 4.24Å; Q286-I290 WeakPolarHBondContact O-CG1 3.32Å; Q286-I290 PolarHBondContact O-N 2.78Å; L287-I290 PolarHBondContact O-N 2.8Å; I290-V293 PolarHBondContact O-N 3.03Å; I290-T294 VanDerWaalsContact O-CB 3.3Å; I290-T294 WeakPolarHBondContact O-CB 3.24Å; I290-T294 PolarHBondContact O-N 2.76Å; I290-T294 PolarHBondContact O-OG1 3.4Å; I290-F326 HydrophobicContact CG2-CB 4.38Å; I290-E328 HydrophobicContact CD1-CG 3.65Å; I290-L331 HydrophobicContact CG2-CB 4.22Å; I290-L331 HydrophobicContact CG2-CD2 4.49Å |
| 291 | R | 94.6 | Very high | 95 | Very high | 111 Ų | 111 | 57.4 Ų | 57.4 | 42% | 0.419 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -58.1 | -53.1 | 176.3 | 173.2 | 172.3 | -178.6 | -178.8 | 4.7 | 112.1 | L287 N288 N289 V293 T294 E295 F326 | L287-R291 WeakPolarHBondContact O-CB 3.41Å; L287-R291 PolarHBondContact O-N 3.03Å; N288-R291 PolarHBondContact O-N 2.99Å; N289-R291 VanDerWaalsContact C-N 3.29Å; N289-R291 PolarHBondContact O-N 2.76Å; R291-V293 VanDerWaalsContact C-N 3.33Å; R291-V293 PolarHBondContact O-N 3.48Å; R291-T294 PolarHBondContact O-N 3.48Å; R291-E295 HydrophobicContact CG-CG 4.4Å; R291-E295 WeakPolarHBondContact CG-OE1 3.32Å; R291-E295 IonicContact CZ-OE1 3.99Å; R291-E295 IonicContact NE-OE1 3.03Å; R291-E295 PolarHBondContact NE-OE1 3.4Å; R291-E295 IonicContact NH2-OE1 3Å; R291-E295 PolarHBondContact NH2-OE1 3.05Å; R291-E295 WeakPolarHBondContact O-CB 3.33Å; R291-E295 WeakPolarHBondContact O-CG 3.4Å; R291-E295 PolarHBondContact O-N 3.3Å; R291-F326 HydrophobicContact CB-CB 4.38Å; R291-F326 HydrophobicContact CB-CD1 3.86Å; R291-F326 HydrophobicContact CB-CD2 4.05Å; R291-F326 HydrophobicContact CB-CE1 4.11Å; R291-F326 HydrophobicContact CB-CE2 4.31Å; R291-F326 HydrophobicContact CB-CG 3.82Å; R291-F326 HydrophobicContact CB-CZ 4.33Å; R291-F326 HydrophobicContact CG-CD1 4.05Å; R291-F326 HydrophobicContact CG-CD2 3.99Å; R291-F326 HydrophobicContact CG-CE1 3.78Å; R291-F326 HydrophobicContact CG-CE2 3.74Å; R291-F326 HydrophobicContact CG-CG 4.14Å; R291-F326 HydrophobicContact CG-CZ 3.62Å |
| 292 | N | 94.3 | Very high | 95 | Very high | 92 Ų | 92 | 54.6 Ų | 54.6 | 49% | 0.492 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59.9 | -43.1 | -178.2 | -69.8 | -23.1 | 0 | 0 | 0 | 112 | N288 N289 A296 | N288-N292 WeakPolarHBondContact O-CB 3.37Å; N288-N292 PolarHBondContact O-N 2.93Å; N288-N292 PolarHBondContact O-ND2 3.35Å; N289-N292 PolarHBondContact O-N 3.09Å; N292-A296 WeakPolarHBondContact O-CB 3.41Å; N292-A296 PolarHBondContact O-N 3.3Å |
| 293 | V | 95.4 | Very high | 95 | Very high | 72 Ų | 72 | 57.7 Ų | 57.7 | 44% | 0.436 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -66.2 | -43.8 | 177.2 | 178.2 | 0 | 0 | 0 | 0 | 110.7 | N289 I290 R291 E295 A296 I297 L331 | N289-V293 VanDerWaalsContact O-CG2 3.32Å; N289-V293 WeakPolarHBondContact O-CG2 3.25Å; N289-V293 PolarHBondContact O-N 2.58Å; I290-V293 PolarHBondContact O-N 3.03Å; R291-V293 VanDerWaalsContact C-N 3.33Å; R291-V293 PolarHBondContact O-N 3.48Å; V293-E295 PolarHBondContact O-N 2.98Å; V293-A296 WeakPolarHBondContact O-CB 3.33Å; V293-A296 PolarHBondContact O-N 3.31Å; V293-I297 HydrophobicContact CG1-CD1 3.86Å; V293-I297 HydrophobicContact CG1-CG1 4.45Å; V293-I297 WeakPolarHBondContact O-CG1 3.27Å; V293-I297 PolarHBondContact O-N 3.24Å; V293-L331 HydrophobicContact CB-CD1 4.21Å; V293-L331 HydrophobicContact CG1-CD1 3.64Å |
| 294 | T | 95.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.5 | -44.3 | 177.7 | -56.3 | 0 | 0 | 0 | 0 | 111.3 | I290 R291 A296 I297 R298 F326 L330 | I290-T294 VanDerWaalsContact O-CB 3.3Å; I290-T294 WeakPolarHBondContact O-CB 3.24Å; I290-T294 PolarHBondContact O-N 2.76Å; I290-T294 PolarHBondContact O-OG1 3.4Å; R291-T294 PolarHBondContact O-N 3.48Å; T294-A296 VanDerWaalsContact C-N 3.34Å; T294-A296 PolarHBondContact O-N 2.84Å; T294-I297 PolarHBondContact O-N 2.77Å; T294-R298 WeakPolarHBondContact O-CB 3.37Å; T294-R298 VanDerWaalsContact O-CG 3.31Å; T294-R298 WeakPolarHBondContact O-CG 3.45Å; T294-R298 PolarHBondContact O-N 3.48Å; T294-F326 HydrophobicContact CG2-CD1 4.36Å; T294-F326 HydrophobicContact CG2-CE1 4.24Å; T294-L330 HydrophobicContact CG2-CD2 4.4Å |
| 295 | E | 95.4 | Very high | 94.9 | Very high | 75 Ų | 75 | 51 Ų | 51 | 35% | 0.35 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.8 | -37.5 | 176.7 | -72.8 | 178.3 | -176.6 | 0 | 0 | 112.2 | R291 V293 R298 S299 | R291-E295 HydrophobicContact CG-CG 4.4Å; R291-E295 WeakPolarHBondContact CG-OE1 3.32Å; R291-E295 IonicContact CZ-OE1 3.99Å; R291-E295 IonicContact NE-OE1 3.03Å; R291-E295 PolarHBondContact NE-OE1 3.4Å; R291-E295 IonicContact NH2-OE1 3Å; R291-E295 PolarHBondContact NH2-OE1 3.05Å; R291-E295 WeakPolarHBondContact O-CB 3.33Å; R291-E295 WeakPolarHBondContact O-CG 3.4Å; R291-E295 PolarHBondContact O-N 3.3Å; V293-E295 PolarHBondContact O-N 2.98Å; E295-R298 PolarHBondContact O-N 2.85Å; E295-S299 PolarHBondContact O-N 2.68Å; E295-S299 PolarHBondContact O-OG 3.2Å |
| 296 | A | 96.1 | Very high | 94.8 | Very high | 52 Ų | 52 | 54.2 Ų | 54.2 | 43% | 0.43 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64 | -45.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | N292 V293 T294 R298 S299 E300 | N292-A296 WeakPolarHBondContact O-CB 3.41Å; N292-A296 PolarHBondContact O-N 3.3Å; V293-A296 WeakPolarHBondContact O-CB 3.33Å; V293-A296 PolarHBondContact O-N 3.31Å; T294-A296 VanDerWaalsContact C-N 3.34Å; T294-A296 PolarHBondContact O-N 2.84Å; A296-R298 PolarHBondContact O-N 3.42Å; A296-S299 WeakPolarHBondContact O-CB 3.44Å; A296-S299 PolarHBondContact O-N 3.39Å; A296-E300 PolarHBondContact O-N 2.98Å |
| 297 | I | 95.9 | Very high | 94.6 | Very high | 11 Ų | 11 | 56.6 Ų | 56.6 | 6% | 0.056 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.7 | -41.6 | 175.9 | -64.4 | 161.7 | 0 | 0 | 0 | 110.9 | V293 T294 S299 E300 I301 L331 H334 D335 I338 | V293-I297 HydrophobicContact CG1-CD1 3.86Å; V293-I297 HydrophobicContact CG1-CG1 4.45Å; V293-I297 WeakPolarHBondContact O-CG1 3.27Å; V293-I297 PolarHBondContact O-N 3.24Å; T294-I297 PolarHBondContact O-N 2.77Å; I297-S299 VanDerWaalsContact C-N 3.26Å; I297-S299 PolarHBondContact O-N 3.2Å; I297-E300 CarbonylContact O-C 3.58Å; I297-E300 WeakPolarHBondContact O-CA 3.5Å; I297-E300 WeakPolarHBondContact O-CB 3.28Å; I297-E300 PolarHBondContact O-N 3.35Å; I297-I301 HydrophobicContact CG2-CD1 3.88Å; I297-I301 HydrophobicContact CG2-CG1 4.14Å; I297-I301 WeakPolarHBondContact O-CG1 3.44Å; I297-I301 PolarHBondContact O-N 3.28Å; I297-L331 HydrophobicContact CD1-CD1 3.54Å; I297-H334 HydrophobicContact CB-CB 4.36Å; I297-H334 HydrophobicContact CD1-CB 4.47Å; I297-H334 HydrophobicContact CG2-CB 3.81Å; I297-D335 WeakPolarHBondContact CD1-OD1 3.49Å; I297-I338 HydrophobicContact CG2-CB 3.83Å; I297-I338 HydrophobicContact CG2-CG1 4.45Å; I297-I338 HydrophobicContact CG2-CG2 3.75Å |
| 298 | R | 96.8 | Very high | 94.3 | Very high | 30 Ų | 30 | 52.6 Ų | 52.6 | 11% | 0.113 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -57.2 | -41.8 | 174.2 | -76.3 | 176.4 | 177.2 | 177.5 | -6.1 | 111.6 | T294 E295 A296 E300 I301 A302 P320 Y321 S323 H334 | T294-R298 WeakPolarHBondContact O-CB 3.37Å; T294-R298 VanDerWaalsContact O-CG 3.31Å; T294-R298 WeakPolarHBondContact O-CG 3.45Å; T294-R298 PolarHBondContact O-N 3.48Å; E295-R298 PolarHBondContact O-N 2.85Å; A296-R298 PolarHBondContact O-N 3.42Å; R298-E300 VanDerWaalsContact C-N 3.35Å; R298-I301 PolarHBondContact O-N 3.14Å; R298-A302 PolarHBondContact O-N 3.13Å; R298-P320 PolarHBondContact NH2-O 3.33Å; R298-Y321 HydrophobicContact CB-CD2 4.28Å; R298-Y321 HydrophobicContact CB-CE2 3.68Å; R298-Y321 HydrophobicContact CG-CD2 3.89Å; R298-Y321 HydrophobicContact CG-CE2 3.81Å; R298-Y321 PolarHBondContact NE-O 3.01Å; R298-Y321 PolarHBondContact NH2-O 3.4Å; R298-Y321 VanDerWaalsContact NH2-O 3.16Å; R298-S323 VanDerWaalsContact CZ-O 3.32Å; R298-S323 PolarHBondContact NH1-O 3.32Å; R298-S323 PolarHBondContact NH2-O 2.95Å; R298-H334 VanDerWaalsContact CG-CD2 3.5Å; R298-H334 WeakPolarHBondContact CG-CD2 3.2Å; R298-H334 WeakPolarHBondContact CG-NE2 3.47Å; R298-H334 PolarHBondContact NE-NE2 3.49Å |
| 299 | S | 95.8 | Very high | 94 | Very high | 78 Ų | 78 | 49.7 Ų | 49.7 | 55% | 0.545 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -63 | -40.9 | 175 | -56.8 | 0 | 0 | 0 | 0 | 111.7 | E295 A296 I297 A302 V303 | E295-S299 PolarHBondContact O-N 2.68Å; E295-S299 PolarHBondContact O-OG 3.2Å; A296-S299 WeakPolarHBondContact O-CB 3.44Å; A296-S299 PolarHBondContact O-N 3.39Å; I297-S299 VanDerWaalsContact C-N 3.26Å; I297-S299 PolarHBondContact O-N 3.2Å; S299-A302 PolarHBondContact O-N 3.38Å; S299-V303 WeakPolarHBondContact O-CG2 3.47Å; S299-V303 PolarHBondContact O-N 3.4Å |
| 300 | E | 96.1 | Very high | 93.7 | Very high | 83 Ų | 83 | 47.6 Ų | 47.6 | 39% | 0.388 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65 | -44.1 | 173.1 | -70.7 | -171.1 | -145.8 | 0 | 0 | 112.5 | A296 I297 R298 A302 V303 F304 I338 K342 | A296-E300 PolarHBondContact O-N 2.98Å; I297-E300 CarbonylContact O-C 3.58Å; I297-E300 WeakPolarHBondContact O-CA 3.5Å; I297-E300 WeakPolarHBondContact O-CB 3.28Å; I297-E300 PolarHBondContact O-N 3.35Å; R298-E300 VanDerWaalsContact C-N 3.35Å; E300-A302 VanDerWaalsContact C-N 3.3Å; E300-A302 PolarHBondContact O-N 3.11Å; E300-V303 WeakPolarHBondContact O-CB 3.24Å; E300-V303 PolarHBondContact O-N 3.48Å; E300-V303 VanDerWaalsContact O-N 3.15Å; E300-F304 WeakPolarHBondContact O-CD2 3.46Å; E300-F304 PolarHBondContact O-N 2.67Å; E300-I338 HydrophobicContact CB-CD1 3.82Å; E300-I338 HydrophobicContact CB-CG1 4.23Å; E300-K342 WeakPolarHBondContact OE2-CE 3.35Å; E300-K342 IonicContact OE2-NZ 2.86Å; E300-K342 PolarHBondContact OE2-NZ 3.45Å |
| 301 | I | 95.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -56.5 | -46.5 | 176.5 | -73.1 | 173.1 | 0 | 0 | 0 | 109.8 | I297 R298 V303 F304 W305 F318 Y321 E337 I338 L341 | I297-I301 HydrophobicContact CG2-CD1 3.88Å; I297-I301 HydrophobicContact CG2-CG1 4.14Å; I297-I301 WeakPolarHBondContact O-CG1 3.44Å; I297-I301 PolarHBondContact O-N 3.28Å; R298-I301 PolarHBondContact O-N 3.14Å; I301-V303 VanDerWaalsContact C-N 3.31Å; I301-V303 PolarHBondContact O-N 3.23Å; I301-F304 PolarHBondContact O-N 3.27Å; I301-F304 VanDerWaalsContact O-N 3.1Å; I301-W305 HydrophobicContact CG2-CD2 3.61Å; I301-W305 HydrophobicContact CG2-CE3 3.9Å; I301-W305 HydrophobicContact CG2-CG 4.29Å; I301-W305 HydrophobicContact CG2-CH2 3.82Å; I301-W305 HydrophobicContact CG2-CZ2 3.49Å; I301-W305 VanDerWaalsContact CG2-CZ2 3.49Å; I301-W305 HydrophobicContact CG2-CZ3 4Å; I301-W305 PolarHBondContact O-N 3.38Å; I301-F318 HydrophobicContact CD1-CE1 4.22Å; I301-Y321 HydrophobicContact CB-CE2 4.43Å; I301-Y321 HydrophobicContact CG2-CD2 4.18Å; I301-Y321 HydrophobicContact CG2-CE2 4.14Å; I301-E337 HydrophobicContact CD1-CB 4.29Å; I301-E337 HydrophobicContact CD1-CG 4.07Å; I301-I338 HydrophobicContact CD1-CB 4.44Å; I301-I338 HydrophobicContact CG1-CB 3.92Å; I301-I338 HydrophobicContact CG1-CD1 3.89Å; I301-I338 HydrophobicContact CG1-CG1 4.38Å; I301-L341 HydrophobicContact CB-CD1 4.32Å; I301-L341 HydrophobicContact CG1-CD1 4.2Å; I301-L341 HydrophobicContact CG2-CD1 3.79Å |
| 302 | A | 94.7 | Very high | 93 | Very high | 24 Ų | 24 | 48 Ų | 48 | 20% | 0.198 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58 | -42.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | R298 S299 E300 W305 E306 | R298-A302 PolarHBondContact O-N 3.13Å; S299-A302 PolarHBondContact O-N 3.38Å; E300-A302 VanDerWaalsContact C-N 3.3Å; E300-A302 PolarHBondContact O-N 3.11Å; A302-W305 PolarHBondContact O-N 3.39Å; A302-E306 WeakPolarHBondContact O-CG 2.87Å; A302-E306 PolarHBondContact O-N 3.42Å |
| 303 | V | 94.9 | Very high | 92.7 | Very high | 66 Ų | 66 | 49.1 Ų | 49.1 | 40% | 0.4 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.1 | -41.9 | 175.1 | 172.3 | 0 | 0 | 0 | 0 | 111.5 | S299 E300 I301 E306 K307 | S299-V303 WeakPolarHBondContact O-CG2 3.47Å; S299-V303 PolarHBondContact O-N 3.4Å; E300-V303 WeakPolarHBondContact O-CB 3.24Å; E300-V303 PolarHBondContact O-N 3.48Å; E300-V303 VanDerWaalsContact O-N 3.15Å; I301-V303 VanDerWaalsContact C-N 3.31Å; I301-V303 PolarHBondContact O-N 3.23Å; V303-E306 PolarHBondContact O-N 3.41Å; V303-K307 HydrophobicContact CG1-CD 4.2Å; V303-K307 WeakPolarHBondContact O-CG 3.48Å; V303-K307 PolarHBondContact O-N 2.9Å |
| 304 | F | 92.8 | Very high | 92.3 | Very high | 27 Ų | 27 | 49 Ų | 49 | 12% | 0.118 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -71.6 | -34.3 | 178.1 | -85.4 | -81.3 | 0 | 0 | 0 | 113 | E300 I301 E306 K307 C308 I338 L341 K342 Y345 | E300-F304 WeakPolarHBondContact O-CD2 3.46Å; E300-F304 PolarHBondContact O-N 2.67Å; I301-F304 PolarHBondContact O-N 3.27Å; I301-F304 VanDerWaalsContact O-N 3.1Å; F304-E306 VanDerWaalsContact C-N 3.31Å; F304-E306 PolarHBondContact O-N 2.99Å; F304-K307 PolarHBondContact O-N 3.34Å; F304-C308 WeakPolarHBondContact O-CB 3.28Å; F304-C308 PolarHBondContact O-N 3.43Å; F304-C308 PolarHBondContact O-SG 3.26Å; F304-I338 HydrophobicContact CD2-CD1 3.62Å; F304-I338 HydrophobicContact CE2-CD1 4.17Å; F304-I338 HydrophobicContact CG-CD1 4.36Å; F304-L341 HydrophobicContact CB-CB 4.15Å; F304-L341 HydrophobicContact CB-CD1 4.48Å; F304-K342 HydrophobicContact CD1-CG 4.49Å; F304-K342 HydrophobicContact CD2-CG 4.27Å; F304-K342 HydrophobicContact CE1-CG 3.93Å; F304-K342 HydrophobicContact CE2-CD 4.3Å; F304-K342 HydrophobicContact CE2-CG 3.68Å; F304-K342 HydrophobicContact CZ-CD 4.36Å; F304-K342 HydrophobicContact CZ-CG 3.49Å; F304-K342 VanDerWaalsContact CZ-CG 3.49Å; F304-Y345 HydrophobicContact CD1-CG 4.13Å; F304-Y345 AromaticContact CE1-CD1 3.89Å; F304-Y345 HydrophobicContact CE1-CD1 3.89Å; F304-Y345 AromaticContact CE1-CG 3.96Å; F304-Y345 HydrophobicContact CE1-CG 3.96Å |
| 305 | W | 94.1 | Very high | 92.1 | Very high | 6 Ų | 6 | 51.8 Ų | 51.8 | 2% | 0.023 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.6 | -40.1 | 170.7 | -75.5 | -22.1 | 0 | 0 | 0 | 112 | I301 A302 F309 F310 R315 F318 Y321 | I301-W305 HydrophobicContact CG2-CD2 3.61Å; I301-W305 HydrophobicContact CG2-CE3 3.9Å; I301-W305 HydrophobicContact CG2-CG 4.29Å; I301-W305 HydrophobicContact CG2-CH2 3.82Å; I301-W305 HydrophobicContact CG2-CZ2 3.49Å; I301-W305 VanDerWaalsContact CG2-CZ2 3.49Å; I301-W305 HydrophobicContact CG2-CZ3 4Å; I301-W305 PolarHBondContact O-N 3.38Å; A302-W305 PolarHBondContact O-N 3.39Å; W305-F309 PolarHBondContact O-N 2.95Å; W305-F309 VanDerWaalsContact O-N 3.15Å; W305-F310 HydrophobicContact CB-CB 4.11Å; W305-F310 AromaticContact CD1-CD1 3.54Å; W305-F310 AromaticContact CD1-CG 3.79Å; W305-F310 HydrophobicContact CG-CB 4.28Å; W305-F310 HydrophobicContact CG-CD1 4.41Å; W305-F310 HydrophobicContact CG-CG 4.41Å; W305-F310 AromaticContact NE1-CD1 3.87Å; W305-F310 PolarHBondContact O-N 3.14Å; W305-R315 HydrophobicContact CB-CG 4.26Å; W305-R315 HydrophobicContact CD2-CB 4.19Å; W305-R315 HydrophobicContact CD2-CG 3.59Å; W305-R315 HydrophobicContact CE3-CB 4.03Å; W305-R315 HydrophobicContact CE3-CG 3.66Å; W305-R315 HydrophobicContact CG-CG 3.9Å; W305-R315 HydrophobicContact CH2-CB 4.04Å; W305-R315 HydrophobicContact CH2-CG 4.5Å; W305-R315 HydrophobicContact CZ2-CB 4.21Å; W305-R315 HydrophobicContact CZ2-CG 4.46Å; W305-R315 HydrophobicContact CZ3-CB 3.96Å; W305-R315 HydrophobicContact CZ3-CG 4.13Å; W305-F318 HydrophobicContact CZ2-CB 4.25Å; W305-F318 HydrophobicContact CZ2-CD1 4.33Å; W305-Y321 HydrophobicContact CH2-CD1 4.09Å; W305-Y321 AromaticContact CH2-CD2 3.46Å; W305-Y321 HydrophobicContact CH2-CD2 3.46Å; W305-Y321 VanDerWaalsContact CH2-CD2 3.46Å; W305-Y321 HydrophobicContact CH2-CE1 4.44Å; W305-Y321 AromaticContact CH2-CE2 3.84Å; W305-Y321 HydrophobicContact CH2-CE2 3.84Å; W305-Y321 AromaticContact CH2-CG 3.6Å; W305-Y321 HydrophobicContact CH2-CG 3.6Å; W305-Y321 HydrophobicContact CZ2-CD2 4.38Å; W305-Y321 HydrophobicContact CZ3-CD1 4.17Å; W305-Y321 AromaticContact CZ3-CD2 3.77Å; W305-Y321 HydrophobicContact CZ3-CD2 3.77Å; W305-Y321 HydrophobicContact CZ3-CE1 4.06Å; W305-Y321 AromaticContact CZ3-CE2 3.62Å; W305-Y321 HydrophobicContact CZ3-CE2 3.62Å; W305-Y321 HydrophobicContact CZ3-CG 4.04Å; W305-Y321 AromaticContact CZ3-CZ 3.79Å |
| 306 | E | 92.1 | Very high | 91.8 | Very high | 124 Ų | 124 | 53.8 Ų | 53.8 | 58% | 0.579 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -66.4 | -47.5 | 173.2 | -71.8 | 177.4 | -174.8 | 0 | 0 | 112 | A302 V303 F304 C308 F309 | A302-E306 WeakPolarHBondContact O-CG 2.87Å; A302-E306 PolarHBondContact O-N 3.42Å; V303-E306 PolarHBondContact O-N 3.41Å; F304-E306 VanDerWaalsContact C-N 3.31Å; F304-E306 PolarHBondContact O-N 2.99Å; E306-C308 VanDerWaalsContact C-N 3.28Å; E306-C308 PolarHBondContact O-N 2.92Å; E306-F309 PolarHBondContact O-N 3.4Å |
| 307 | K | 89.6 | Confident | 91.6 | Very high | 87 Ų | 87 | 57.8 Ų | 57.8 | 38% | 0.378 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.6 | -33.8 | 179.2 | -75.1 | 177.9 | 178.5 | 179.4 | 0 | 113.8 | V303 F304 Y345 | V303-K307 HydrophobicContact CG1-CD 4.2Å; V303-K307 WeakPolarHBondContact O-CG 3.48Å; V303-K307 PolarHBondContact O-N 2.9Å; F304-K307 PolarHBondContact O-N 3.34Å; K307-Y345 HydrophobicContact CB-CD2 4.13Å; K307-Y345 HydrophobicContact CB-CE2 3.93Å; K307-Y345 HydrophobicContact CD-CE2 4.38Å |
| 308 | C | 88.7 | Confident | 91.5 | Very high | 4 Ų | 4 | 58.6 Ų | 58.6 | 3% | 0.027 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 3.5 | 177.9 | -57.6 | 0 | 0 | 0 | 0 | 112.8 | F304 E306 F310 F352 | F304-C308 WeakPolarHBondContact O-CB 3.28Å; F304-C308 PolarHBondContact O-N 3.43Å; F304-C308 PolarHBondContact O-SG 3.26Å; E306-C308 VanDerWaalsContact C-N 3.28Å; E306-C308 PolarHBondContact O-N 2.92Å; C308-F310 VanDerWaalsContact C-N 3.31Å; C308-F310 HydrophobicContact CB-CD2 3.48Å; C308-F310 VanDerWaalsContact CB-CD2 3.48Å; C308-F310 HydrophobicContact CB-CE2 3.48Å; C308-F310 VanDerWaalsContact CB-CE2 3.48Å; C308-F310 PolarHBondContact O-N 3.38Å; C308-F352 HydrophobicContact CB-CE1 4.13Å; C308-F352 HydrophobicContact CB-CE2 4.2Å; C308-F352 HydrophobicContact CB-CZ 3.9Å; C308-F352 WeakPolarHBondContact O-CE1 3.39Å |
| 309 | F | 87.3 | Confident | 91.3 | Very high | 17 Ų | 17 | 60.3 Ų | 60.3 | 8% | 0.075 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.5 | 38.7 | -179.3 | -54 | -87.4 | 0 | 0 | 0 | 114.7 | W305 E306 S311 F352 V355 Q356 V423 N424 | W305-F309 PolarHBondContact O-N 2.95Å; W305-F309 VanDerWaalsContact O-N 3.15Å; E306-F309 PolarHBondContact O-N 3.4Å; F309-S311 PolarHBondContact O-N 2.91Å; F309-F352 AromaticContact CD2-CD1 3.96Å; F309-F352 HydrophobicContact CD2-CD1 3.96Å; F309-F352 HydrophobicContact CE2-CD1 4.35Å; F309-V355 HydrophobicContact CD2-CG1 4.18Å; F309-V355 HydrophobicContact CE1-CG1 4.21Å; F309-V355 HydrophobicContact CE2-CB 4.04Å; F309-V355 HydrophobicContact CE2-CG1 3.65Å; F309-V355 HydrophobicContact CZ-CB 4.35Å; F309-V355 HydrophobicContact CZ-CG1 3.67Å; F309-Q356 HydrophobicContact CZ-CB 4.25Å; F309-V423 HydrophobicContact CB-CB 4.31Å; F309-V423 HydrophobicContact CB-CG1 3.8Å; F309-V423 HydrophobicContact CB-CG2 4.5Å; F309-V423 HydrophobicContact CD1-CG1 3.82Å; F309-V423 HydrophobicContact CG-CG1 3.83Å; F309-N424 PolarHBondContact O-N 3.5Å |
| 310 | F | 86.3 | Confident | 91.2 | Very high | 21 Ų | 21 | 58.3 Ų | 58.3 | 9% | 0.092 | 30% | 0.303 | C | S | . | . | trans | -63.8 | 133.6 | 178.3 | -87.5 | -131.4 | 0 | 0 | 0 | 111 | W305 C308 Q314 R315 L341 | W305-F310 HydrophobicContact CB-CB 4.11Å; W305-F310 AromaticContact CD1-CD1 3.54Å; W305-F310 AromaticContact CD1-CG 3.79Å; W305-F310 HydrophobicContact CG-CB 4.28Å; W305-F310 HydrophobicContact CG-CD1 4.41Å; W305-F310 HydrophobicContact CG-CG 4.41Å; W305-F310 AromaticContact NE1-CD1 3.87Å; W305-F310 PolarHBondContact O-N 3.14Å; C308-F310 VanDerWaalsContact C-N 3.31Å; C308-F310 HydrophobicContact CB-CD2 3.48Å; C308-F310 VanDerWaalsContact CB-CD2 3.48Å; C308-F310 HydrophobicContact CB-CE2 3.48Å; C308-F310 VanDerWaalsContact CB-CE2 3.48Å; C308-F310 PolarHBondContact O-N 3.38Å; F310-Q314 HydrophobicContact CB-CB 4.46Å; F310-Q314 HydrophobicContact CD1-CB 3.85Å; F310-Q314 HydrophobicContact CG-CB 4.44Å; F310-R315 HydrophobicContact CB-CG 4.11Å; F310-R315 PolarHBondContact O-NE 2.98Å; F310-R315 VanDerWaalsContact O-NE 3.09Å; F310-R315 PolarHBondContact O-NH2 3.39Å; F310-R315 VanDerWaalsContact O-NH2 3.14Å; F310-L341 HydrophobicContact CE1-CD2 3.91Å; F310-L341 HydrophobicContact CE2-CD2 4.21Å; F310-L341 HydrophobicContact CZ-CD2 3.59Å | ||
| 311 | S | 88.4 | Confident | 91.1 | Very high | 16 Ų | 16 | 56.8 Ų | 56.8 | 11% | 0.112 | 29% | 0.294 | C | S | . | . | trans | -68.4 | 164 | 173.8 | 78 | 0 | 0 | 0 | 0 | 111.8 | F309 D313 Q314 R315 | F309-S311 PolarHBondContact O-N 2.91Å; S311-D313 VanDerWaalsContact C-N 3.28Å; S311-D313 PolarHBondContact O-N 2.89Å; S311-Q314 PolarHBondContact O-N 2.84Å; S311-Q314 WeakPolarHBondContact OG-CG 3.22Å; S311-Q314 PolarHBondContact OG-N 3.49Å; S311-R315 VanDerWaalsContact O-CG 3.29Å; S311-R315 WeakPolarHBondContact O-CG 3.46Å; S311-R315 PolarHBondContact O-N 3.49Å; S311-R315 VanDerWaalsContact O-N 3.13Å | ||
| 312 | I | 87.4 | Confident | 90.9 | Very high | 123 Ų | 123 | 62.6 Ų | 62.6 | 63% | 0.631 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -59.9 | -42.2 | 177.4 | -62.7 | 171 | 0 | 0 | 0 | 110.5 | Q314 R315 Q316 | I312-Q314 PolarHBondContact O-N 3.42Å; I312-R315 WeakPolarHBondContact O-CB 3.45Å; I312-R315 PolarHBondContact O-N 3.43Å; I312-Q316 WeakPolarHBondContact O-CG 3.23Å; I312-Q316 PolarHBondContact O-N 2.86Å; I312-Q316 VanDerWaalsContact O-N 3.08Å |
| 313 | D | 87.3 | Confident | 90.9 | Very high | 116 Ų | 116 | 63 Ų | 63 | 62% | 0.62 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -63.1 | -43.9 | 179.7 | -57.6 | -25.7 | 0 | 0 | 0 | 111.4 | S311 R315 Q316 D317 | S311-D313 VanDerWaalsContact C-N 3.28Å; S311-D313 PolarHBondContact O-N 2.89Å; D313-R315 VanDerWaalsContact C-N 3.26Å; D313-R315 PolarHBondContact O-N 3.01Å; D313-Q316 WeakPolarHBondContact O-CB 3.32Å; D313-Q316 PolarHBondContact O-N 2.84Å; D313-D317 PolarHBondContact O-N 3.29Å; D313-D317 VanDerWaalsContact O-N 3.14Å |
| 314 | Q | 87.1 | Confident | 90.7 | Very high | 68 Ų | 68 | 67.9 Ų | 67.9 | 32% | 0.318 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.5 | -30.9 | 176.9 | -71.9 | 173 | -34.5 | 0 | 0 | 113 | F310 S311 I312 | F310-Q314 HydrophobicContact CB-CB 4.46Å; F310-Q314 HydrophobicContact CD1-CB 3.85Å; F310-Q314 HydrophobicContact CG-CB 4.44Å; S311-Q314 PolarHBondContact O-N 2.84Å; S311-Q314 WeakPolarHBondContact OG-CG 3.22Å; S311-Q314 PolarHBondContact OG-N 3.49Å; I312-Q314 PolarHBondContact O-N 3.42Å |
| 315 | R | 90.9 | Very high | 90.7 | Very high | 59 Ų | 59 | 72.4 Ų | 72.4 | 22% | 0.223 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -72.3 | -33.7 | 174.1 | -63.4 | 174.9 | -163.2 | -151.3 | 0.4 | 111.3 | W305 F310 S311 I312 D313 D317 F318 | W305-R315 HydrophobicContact CB-CG 4.26Å; W305-R315 HydrophobicContact CD2-CB 4.19Å; W305-R315 HydrophobicContact CD2-CG 3.59Å; W305-R315 HydrophobicContact CE3-CB 4.03Å; W305-R315 HydrophobicContact CE3-CG 3.66Å; W305-R315 HydrophobicContact CG-CG 3.9Å; W305-R315 HydrophobicContact CH2-CB 4.04Å; W305-R315 HydrophobicContact CH2-CG 4.5Å; W305-R315 HydrophobicContact CZ2-CB 4.21Å; W305-R315 HydrophobicContact CZ2-CG 4.46Å; W305-R315 HydrophobicContact CZ3-CB 3.96Å; W305-R315 HydrophobicContact CZ3-CG 4.13Å; F310-R315 HydrophobicContact CB-CG 4.11Å; F310-R315 PolarHBondContact O-NE 2.98Å; F310-R315 VanDerWaalsContact O-NE 3.09Å; F310-R315 PolarHBondContact O-NH2 3.39Å; F310-R315 VanDerWaalsContact O-NH2 3.14Å; S311-R315 VanDerWaalsContact O-CG 3.29Å; S311-R315 WeakPolarHBondContact O-CG 3.46Å; S311-R315 PolarHBondContact O-N 3.49Å; S311-R315 VanDerWaalsContact O-N 3.13Å; I312-R315 WeakPolarHBondContact O-CB 3.45Å; I312-R315 PolarHBondContact O-N 3.43Å; D313-R315 VanDerWaalsContact C-N 3.26Å; D313-R315 PolarHBondContact O-N 3.01Å; R315-D317 VanDerWaalsContact C-N 3.31Å; R315-F318 PolarHBondContact O-N 2.89Å |
| 316 | Q | 90.7 | Very high | 90.5 | Very high | 118 Ų | 118 | 73.9 Ų | 73.9 | 55% | 0.551 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -71.9 | -23.8 | 177.6 | -71 | -172.9 | 13.2 | 0 | 0 | 113.3 | I312 D313 F318 | I312-Q316 WeakPolarHBondContact O-CG 3.23Å; I312-Q316 PolarHBondContact O-N 2.86Å; I312-Q316 VanDerWaalsContact O-N 3.08Å; D313-Q316 WeakPolarHBondContact O-CB 3.32Å; D313-Q316 PolarHBondContact O-N 2.84Å; Q316-F318 PolarHBondContact O-N 3.24Å |
| 317 | D | 91.2 | Very high | 90.5 | Very high | 136 Ų | 136 | 71.3 Ų | 71.3 | 73% | 0.727 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -31.1 | 175.3 | -70.4 | -22.5 | 0 | 0 | 0 | 112.5 | D313 R315 A319 | D313-D317 PolarHBondContact O-N 3.29Å; D313-D317 VanDerWaalsContact O-N 3.14Å; R315-D317 VanDerWaalsContact C-N 3.31Å; D317-A319 VanDerWaalsContact C-N 3.3Å; D317-A319 PolarHBondContact O-N 2.84Å; D317-A319 VanDerWaalsContact O-N 3.11Å |
| 318 | F | 93.3 | Very high | 90.6 | Very high | 27 Ų | 27 | 72 Ų | 72 | 12% | 0.118 | 37% | 0.366 | C | S | . | . | trans | -86 | 71.5 | 172 | -173.2 | -120.7 | 0 | 0 | 0 | 111.1 | I301 W305 R315 Q316 P320 Y321 H334 E337 | I301-F318 HydrophobicContact CD1-CE1 4.22Å; W305-F318 HydrophobicContact CZ2-CB 4.25Å; W305-F318 HydrophobicContact CZ2-CD1 4.33Å; R315-F318 PolarHBondContact O-N 2.89Å; Q316-F318 PolarHBondContact O-N 3.24Å; F318-P320 VanDerWaalsContact C-N 3.31Å; F318-P320 HydrophobicContact CD2-CB 4.48Å; F318-P320 HydrophobicContact CD2-CG 4.09Å; F318-P320 HydrophobicContact CE1-CB 4.27Å; F318-P320 HydrophobicContact CE2-CB 3.85Å; F318-P320 HydrophobicContact CE2-CG 3.69Å; F318-P320 HydrophobicContact CZ-CB 3.71Å; F318-P320 HydrophobicContact CZ-CG 4.11Å; F318-Y321 VanDerWaalsContact O-CB 3.25Å; F318-Y321 WeakPolarHBondContact O-CB 3.31Å; F318-Y321 PolarHBondContact O-N 3.19Å; F318-Y321 VanDerWaalsContact O-N 3.08Å; F318-H334 AromaticContact CE1-CD2 4Å; F318-H334 AromaticContact CE1-NE2 3.97Å; F318-E337 HydrophobicContact CD1-CG 3.89Å; F318-E337 HydrophobicContact CD2-CB 4.38Å; F318-E337 HydrophobicContact CD2-CG 4.08Å; F318-E337 HydrophobicContact CE1-CB 4.13Å; F318-E337 HydrophobicContact CE1-CG 3.92Å; F318-E337 HydrophobicContact CE2-CB 3.89Å; F318-E337 HydrophobicContact CE2-CG 4.07Å; F318-E337 HydrophobicContact CG-CG 4.02Å; F318-E337 HydrophobicContact CZ-CB 3.77Å; F318-E337 HydrophobicContact CZ-CG 4Å | ||
| 319 | A | 93.2 | Very high | 90.8 | Very high | 66 Ų | 66 | 78.6 Ų | 78.6 | 55% | 0.545 | 40% | 0.396 | S | S | . | . | G | 310 helix | trans | -49.9 | -37.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | D317 Y321 F322 | D317-A319 VanDerWaalsContact C-N 3.3Å; D317-A319 PolarHBondContact O-N 2.84Å; D317-A319 VanDerWaalsContact O-N 3.11Å; A319-Y321 PolarHBondContact O-N 3.45Å; A319-F322 PolarHBondContact O-N 3.4Å; A319-F322 VanDerWaalsContact O-N 3.1Å |
| 320 | P | 94.2 | Very high | 91.2 | Very high | 36 Ų | 36 | 78.2 Ų | 78.2 | 23% | 0.234 | 40% | 0.395 | C | S | . | . | G | 310 helix | trans | -57.9 | -21.3 | 178.2 | -25.5 | 34.9 | 0 | 0 | 0 | 114.7 | R298 F318 F322 S323 L330 L333 H334 | R298-P320 PolarHBondContact NH2-O 3.33Å; F318-P320 VanDerWaalsContact C-N 3.31Å; F318-P320 HydrophobicContact CD2-CB 4.48Å; F318-P320 HydrophobicContact CD2-CG 4.09Å; F318-P320 HydrophobicContact CE1-CB 4.27Å; F318-P320 HydrophobicContact CE2-CB 3.85Å; F318-P320 HydrophobicContact CE2-CG 3.69Å; F318-P320 HydrophobicContact CZ-CB 3.71Å; F318-P320 HydrophobicContact CZ-CG 4.11Å; P320-F322 PolarHBondContact O-N 2.93Å; P320-S323 PolarHBondContact O-N 2.98Å; P320-L330 HydrophobicContact CB-CD1 3.86Å; P320-L333 HydrophobicContact CB-CD1 4.34Å; P320-L333 HydrophobicContact CG-CD1 4.12Å; P320-H334 PolarHBondContact O-CE1 2.89Å |
| 321 | Y | 92.9 | Very high | 91.6 | Very high | 52 Ų | 52 | 78.8 Ų | 78.8 | 20% | 0.204 | 40% | 0.399 | C | S | . | . | G | 310 helix | trans | -57 | -30.7 | 175 | -171.9 | -93.3 | 0 | 0 | 0 | 113.6 | R298 I301 W305 F318 A319 | R298-Y321 HydrophobicContact CB-CD2 4.28Å; R298-Y321 HydrophobicContact CB-CE2 3.68Å; R298-Y321 HydrophobicContact CG-CD2 3.89Å; R298-Y321 HydrophobicContact CG-CE2 3.81Å; R298-Y321 PolarHBondContact NE-O 3.01Å; R298-Y321 PolarHBondContact NH2-O 3.4Å; R298-Y321 VanDerWaalsContact NH2-O 3.16Å; I301-Y321 HydrophobicContact CB-CE2 4.43Å; I301-Y321 HydrophobicContact CG2-CD2 4.18Å; I301-Y321 HydrophobicContact CG2-CE2 4.14Å; W305-Y321 HydrophobicContact CH2-CD1 4.09Å; W305-Y321 AromaticContact CH2-CD2 3.46Å; W305-Y321 HydrophobicContact CH2-CD2 3.46Å; W305-Y321 VanDerWaalsContact CH2-CD2 3.46Å; W305-Y321 HydrophobicContact CH2-CE1 4.44Å; W305-Y321 AromaticContact CH2-CE2 3.84Å; W305-Y321 HydrophobicContact CH2-CE2 3.84Å; W305-Y321 AromaticContact CH2-CG 3.6Å; W305-Y321 HydrophobicContact CH2-CG 3.6Å; W305-Y321 HydrophobicContact CZ2-CD2 4.38Å; W305-Y321 HydrophobicContact CZ3-CD1 4.17Å; W305-Y321 AromaticContact CZ3-CD2 3.77Å; W305-Y321 HydrophobicContact CZ3-CD2 3.77Å; W305-Y321 HydrophobicContact CZ3-CE1 4.06Å; W305-Y321 AromaticContact CZ3-CE2 3.62Å; W305-Y321 HydrophobicContact CZ3-CE2 3.62Å; W305-Y321 HydrophobicContact CZ3-CG 4.04Å; W305-Y321 AromaticContact CZ3-CZ 3.79Å; F318-Y321 VanDerWaalsContact O-CB 3.25Å; F318-Y321 WeakPolarHBondContact O-CB 3.31Å; F318-Y321 PolarHBondContact O-N 3.19Å; F318-Y321 VanDerWaalsContact O-N 3.08Å; A319-Y321 PolarHBondContact O-N 3.45Å |
| 322 | F | 92.2 | Very high | 91.9 | Very high | 122 Ų | 122 | 80.7 Ų | 80.7 | 54% | 0.535 | 42% | 0.416 | S | S | . | . | G | 310 helix | trans | -100.2 | 0.3 | -174.6 | -55.6 | -79.3 | 0 | 0 | 0 | 113.5 | A319 P320 | A319-F322 PolarHBondContact O-N 3.4Å; A319-F322 VanDerWaalsContact O-N 3.1Å; P320-F322 PolarHBondContact O-N 2.93Å |
| 323 | S | 93.4 | Very high | 92.3 | Very high | 33 Ų | 33 | 78.5 Ų | 78.5 | 23% | 0.231 | 41% | 0.405 | C | S | . | . | trans | -71.3 | 140.4 | 178.1 | 176.8 | 0 | 0 | 0 | 0 | 111.3 | R298 P320 D325 | R298-S323 VanDerWaalsContact CZ-O 3.32Å; R298-S323 PolarHBondContact NH1-O 3.32Å; R298-S323 PolarHBondContact NH2-O 2.95Å; P320-S323 PolarHBondContact O-N 2.98Å; S323-D325 PolarHBondContact OG-N 2.89Å | ||
| 324 | E | 91.4 | Very high | 92.8 | Very high | 168 Ų | 168 | 73 Ų | 73 | 79% | 0.785 | 38% | 0.376 | S | S | * | . | trans | -100.2 | -0.2 | 171.5 | -62.2 | -171.1 | 169.6 | 0 | 0 | 112.3 | F326 | E324-F326 WeakPolarHBondContact O-CD2 3.18Å; E324-F326 WeakPolarHBondContact O-CE2 3.45Å; E324-F326 PolarHBondContact O-N 2.95Å; E324-F326 VanDerWaalsContact O-N 3.1Å | ||
| 325 | D | 92.2 | Very high | 93.1 | Very high | 122 Ų | 122 | 72.8 Ų | 72.8 | 65% | 0.652 | 38% | 0.377 | S | S | * | . | trans | -85.9 | 81.4 | -177.6 | -60.4 | -43 | 0 | 0 | 0 | 110.3 | S323 N327 L330 | S323-D325 PolarHBondContact OG-N 2.89Å; D325-N327 PolarHBondContact O-N 3.37Å; D325-L330 WeakPolarHBondContact O-CD2 3.29Å | ||
| 326 | F | 91.1 | Very high | 93.4 | Very high | 36 Ų | 36 | 72.7 Ų | 72.7 | 16% | 0.158 | 39% | 0.388 | C | S | . | . | trans | -68.5 | 114.3 | -179 | -60.6 | -76.8 | 0 | 0 | 0 | 111.6 | L287 I290 R291 T294 E324 L330 | L287-F326 HydrophobicContact CD1-CB 3.88Å; L287-F326 WeakPolarHBondContact CD1-O 3.35Å; I290-F326 HydrophobicContact CG2-CB 4.38Å; R291-F326 HydrophobicContact CB-CB 4.38Å; R291-F326 HydrophobicContact CB-CD1 3.86Å; R291-F326 HydrophobicContact CB-CD2 4.05Å; R291-F326 HydrophobicContact CB-CE1 4.11Å; R291-F326 HydrophobicContact CB-CE2 4.31Å; R291-F326 HydrophobicContact CB-CG 3.82Å; R291-F326 HydrophobicContact CB-CZ 4.33Å; R291-F326 HydrophobicContact CG-CD1 4.05Å; R291-F326 HydrophobicContact CG-CD2 3.99Å; R291-F326 HydrophobicContact CG-CE1 3.78Å; R291-F326 HydrophobicContact CG-CE2 3.74Å; R291-F326 HydrophobicContact CG-CG 4.14Å; R291-F326 HydrophobicContact CG-CZ 3.62Å; T294-F326 HydrophobicContact CG2-CD1 4.36Å; T294-F326 HydrophobicContact CG2-CE1 4.24Å; E324-F326 WeakPolarHBondContact O-CD2 3.18Å; E324-F326 WeakPolarHBondContact O-CE2 3.45Å; E324-F326 PolarHBondContact O-N 2.95Å; E324-F326 VanDerWaalsContact O-N 3.1Å; F326-L330 HydrophobicContact CD1-CD2 4.28Å | ||
| 327 | N | 92 | Very high | 93.6 | Very high | 70 Ų | 70 | 67.9 Ų | 67.9 | 37% | 0.374 | 37% | 0.366 | S | S | . | . | trans | -145.7 | 170.6 | 172.8 | 62.5 | 23.6 | 0 | 0 | 0 | 110.1 | D325 E329 L330 L331 | D325-N327 PolarHBondContact O-N 3.37Å; N327-E329 PolarHBondContact O-N 3.12Å; N327-E329 PolarHBondContact OD1-N 3.3Å; N327-L330 PolarHBondContact O-N 3.16Å; N327-L330 WeakPolarHBondContact OD1-CB 3.41Å; N327-L330 PolarHBondContact OD1-N 2.82Å; N327-L331 PolarHBondContact O-N 3.26Å | ||
| 328 | E | 90.7 | Very high | 93.8 | Very high | 102 Ų | 102 | 61.7 Ų | 61.7 | 48% | 0.477 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.5 | -30.7 | -178.3 | -67 | -177.1 | -176.1 | 0 | 0 | 112.5 | R249 Q286 I290 L331 A332 | R249-E328 IonicContact CZ-OE1 3.28Å; R249-E328 IonicContact NH1-OE1 2.86Å; R249-E328 IonicContact NH2-OE1 3.08Å; R249-E328 PolarHBondContact NH2-OE1 3.39Å; R249-E328 IonicContact NH2-OE2 2.9Å; Q286-E328 PolarHBondContact NE2-OE1 2.97Å; I290-E328 HydrophobicContact CD1-CG 3.65Å; E328-L331 PolarHBondContact O-N 2.85Å; E328-A332 PolarHBondContact O-N 3.4Å |
| 329 | E | 93.9 | Very high | 94 | Very high | 142 Ų | 142 | 66.7 Ų | 66.7 | 66% | 0.664 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -67 | -43.6 | 176.6 | -175.5 | 175.7 | -170.7 | 0 | 0 | 111.8 | N327 L331 A332 L333 | N327-E329 PolarHBondContact O-N 3.12Å; N327-E329 PolarHBondContact OD1-N 3.3Å; E329-L331 VanDerWaalsContact C-N 3.32Å; E329-L331 PolarHBondContact O-N 3.03Å; E329-A332 PolarHBondContact O-N 3.47Å; E329-L333 WeakPolarHBondContact O-CG 3.31Å; E329-L333 PolarHBondContact O-N 3.15Å |
| 330 | L | 94.6 | Very high | 94.1 | Very high | 10 Ų | 10 | 69.6 Ų | 69.6 | 5% | 0.052 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60.7 | -44.4 | 176 | -174.7 | 68.1 | 0 | 0 | 0 | 110.4 | T294 P320 D325 F326 N327 L333 H334 | T294-L330 HydrophobicContact CG2-CD2 4.4Å; P320-L330 HydrophobicContact CB-CD1 3.86Å; D325-L330 WeakPolarHBondContact O-CD2 3.29Å; F326-L330 HydrophobicContact CD1-CD2 4.28Å; N327-L330 PolarHBondContact O-N 3.16Å; N327-L330 WeakPolarHBondContact OD1-CB 3.41Å; N327-L330 PolarHBondContact OD1-N 2.82Å; L330-L333 PolarHBondContact O-N 2.81Å; L330-H334 PolarHBondContact O-N 3.31Å; L330-H334 PolarHBondContact O-ND1 3.11Å |
| 331 | L | 95 | Very high | 94.1 | Very high | 32 Ų | 32 | 67.9 Ų | 67.9 | 17% | 0.168 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -59.9 | -46.6 | 176.3 | 176.3 | 59.9 | 0 | 0 | 0 | 111.1 | I290 V293 I297 N327 E328 E329 L333 H334 D335 | I290-L331 HydrophobicContact CG2-CB 4.22Å; I290-L331 HydrophobicContact CG2-CD2 4.49Å; V293-L331 HydrophobicContact CB-CD1 4.21Å; V293-L331 HydrophobicContact CG1-CD1 3.64Å; I297-L331 HydrophobicContact CD1-CD1 3.54Å; N327-L331 PolarHBondContact O-N 3.26Å; E328-L331 PolarHBondContact O-N 2.85Å; E329-L331 VanDerWaalsContact C-N 3.32Å; E329-L331 PolarHBondContact O-N 3.03Å; L331-L333 VanDerWaalsContact C-N 3.32Å; L331-L333 PolarHBondContact O-N 3.32Å; L331-H334 PolarHBondContact O-N 3.35Å; L331-H334 VanDerWaalsContact O-N 3.11Å; L331-D335 PolarHBondContact O-N 3.29Å |
| 332 | A | 94.8 | Very high | 94.1 | Very high | 57 Ų | 57 | 69.1 Ų | 69.1 | 47% | 0.471 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61 | -38.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | E328 E329 D335 A336 | E328-A332 PolarHBondContact O-N 3.4Å; E329-A332 PolarHBondContact O-N 3.47Å; A332-D335 PolarHBondContact O-N 3.49Å; A332-A336 WeakPolarHBondContact O-CB 3.14Å; A332-A336 PolarHBondContact O-N 3.34Å |
| 333 | L | 96.1 | Very high | 94.2 | Very high | 77 Ų | 77 | 68.6 Ų | 68.6 | 40% | 0.403 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.7 | -41.3 | 173.8 | -70.5 | 172.5 | 0 | 0 | 0 | 112 | P320 E329 L330 L331 E337 | P320-L333 HydrophobicContact CB-CD1 4.34Å; P320-L333 HydrophobicContact CG-CD1 4.12Å; E329-L333 WeakPolarHBondContact O-CG 3.31Å; E329-L333 PolarHBondContact O-N 3.15Å; L330-L333 PolarHBondContact O-N 2.81Å; L331-L333 VanDerWaalsContact C-N 3.32Å; L331-L333 PolarHBondContact O-N 3.32Å; L333-E337 WeakPolarHBondContact O-CB 3.41Å; L333-E337 PolarHBondContact O-N 3.08Å |
| 334 | H | 96.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -67.2 | -41.2 | 176.7 | -75.8 | 76.6 | 0 | 0 | 0 | 111.8 | I297 R298 F318 P320 L330 L331 E337 I338 | I297-H334 HydrophobicContact CB-CB 4.36Å; I297-H334 HydrophobicContact CD1-CB 4.47Å; I297-H334 HydrophobicContact CG2-CB 3.81Å; R298-H334 VanDerWaalsContact CG-CD2 3.5Å; R298-H334 WeakPolarHBondContact CG-CD2 3.2Å; R298-H334 WeakPolarHBondContact CG-NE2 3.47Å; R298-H334 PolarHBondContact NE-NE2 3.49Å; F318-H334 AromaticContact CE1-CD2 4Å; F318-H334 AromaticContact CE1-NE2 3.97Å; P320-H334 PolarHBondContact O-CE1 2.89Å; L330-H334 PolarHBondContact O-N 3.31Å; L330-H334 PolarHBondContact O-ND1 3.11Å; L331-H334 PolarHBondContact O-N 3.35Å; L331-H334 VanDerWaalsContact O-N 3.11Å; H334-E337 PolarHBondContact O-N 3.29Å; H334-I338 WeakPolarHBondContact O-CG2 3.41Å; H334-I338 PolarHBondContact O-N 3.42Å |
| 335 | D | 95.3 | Very high | 94.1 | Very high | 64 Ų | 64 | 62.5 Ų | 62.5 | 34% | 0.342 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.2 | -44.2 | 175.1 | -87.8 | -32.7 | 0 | 0 | 0 | 112 | I297 L331 A332 I338 Q339 | I297-D335 WeakPolarHBondContact CD1-OD1 3.49Å; L331-D335 PolarHBondContact O-N 3.29Å; A332-D335 PolarHBondContact O-N 3.49Å; D335-I338 VanDerWaalsContact O-CG2 3.22Å; D335-I338 WeakPolarHBondContact O-CG2 3.41Å; D335-Q339 WeakPolarHBondContact O-CB 3.37Å; D335-Q339 WeakPolarHBondContact O-CG 3.36Å; D335-Q339 PolarHBondContact O-N 3.43Å; D335-Q339 VanDerWaalsContact O-N 3.1Å |
| 336 | A | 96 | Very high | 94.2 | Very high | 56 Ų | 56 | 61.6 Ų | 61.6 | 46% | 0.463 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.1 | -41.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | A332 Q339 R340 | A332-A336 WeakPolarHBondContact O-CB 3.14Å; A332-A336 PolarHBondContact O-N 3.34Å; A336-Q339 PolarHBondContact O-N 3.15Å; A336-R340 WeakPolarHBondContact O-CB 3.46Å; A336-R340 PolarHBondContact O-N 3.36Å |
| 337 | E | 95.2 | Very high | 94 | Very high | 17 Ų | 17 | 64.6 Ų | 64.6 | 8% | 0.079 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -67.7 | -44.8 | -179.6 | 179.7 | 60.8 | -171.9 | 0 | 0 | 112.1 | I301 F318 L333 H334 Q339 R340 L341 | I301-E337 HydrophobicContact CD1-CB 4.29Å; I301-E337 HydrophobicContact CD1-CG 4.07Å; F318-E337 HydrophobicContact CD1-CG 3.89Å; F318-E337 HydrophobicContact CD2-CB 4.38Å; F318-E337 HydrophobicContact CD2-CG 4.08Å; F318-E337 HydrophobicContact CE1-CB 4.13Å; F318-E337 HydrophobicContact CE1-CG 3.92Å; F318-E337 HydrophobicContact CE2-CB 3.89Å; F318-E337 HydrophobicContact CE2-CG 4.07Å; F318-E337 HydrophobicContact CG-CG 4.02Å; F318-E337 HydrophobicContact CZ-CB 3.77Å; F318-E337 HydrophobicContact CZ-CG 4Å; L333-E337 WeakPolarHBondContact O-CB 3.41Å; L333-E337 PolarHBondContact O-N 3.08Å; H334-E337 PolarHBondContact O-N 3.29Å; E337-Q339 VanDerWaalsContact C-N 3.28Å; E337-Q339 PolarHBondContact O-N 3.31Å; E337-R340 WeakPolarHBondContact O-CB 3.48Å; E337-R340 PolarHBondContact O-N 3.5Å; E337-R340 IonicContact OE1-CZ 3.39Å; E337-R340 IonicContact OE1-NE 2.8Å; E337-R340 IonicContact OE1-NH2 3.1Å; E337-R340 PolarHBondContact OE1-NH2 3.41Å; E337-R340 IonicContact OE2-CZ 3.88Å; E337-R340 IonicContact OE2-NE 3.42Å; E337-R340 PolarHBondContact OE2-NE 2.95Å; E337-R340 IonicContact OE2-NH2 2.73Å; E337-R340 PolarHBondContact OE2-NH2 2.88Å; E337-L341 HydrophobicContact CG-CD1 4.16Å; E337-L341 WeakPolarHBondContact O-CG 3.23Å; E337-L341 PolarHBondContact O-N 3.13Å |
| 338 | I | 96.1 | Very high | 93.8 | Very high | 6 Ų | 6 | 62.4 Ų | 62.4 | 3% | 0.031 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.4 | -35.5 | 176.9 | -171.7 | 56.5 | 0 | 0 | 0 | 111.5 | I297 E300 I301 F304 H334 D335 L341 K342 | I297-I338 HydrophobicContact CG2-CB 3.83Å; I297-I338 HydrophobicContact CG2-CG1 4.45Å; I297-I338 HydrophobicContact CG2-CG2 3.75Å; E300-I338 HydrophobicContact CB-CD1 3.82Å; E300-I338 HydrophobicContact CB-CG1 4.23Å; I301-I338 HydrophobicContact CD1-CB 4.44Å; I301-I338 HydrophobicContact CG1-CB 3.92Å; I301-I338 HydrophobicContact CG1-CD1 3.89Å; I301-I338 HydrophobicContact CG1-CG1 4.38Å; F304-I338 HydrophobicContact CD2-CD1 3.62Å; F304-I338 HydrophobicContact CE2-CD1 4.17Å; F304-I338 HydrophobicContact CG-CD1 4.36Å; H334-I338 WeakPolarHBondContact O-CG2 3.41Å; H334-I338 PolarHBondContact O-N 3.42Å; D335-I338 VanDerWaalsContact O-CG2 3.22Å; D335-I338 WeakPolarHBondContact O-CG2 3.41Å; I338-L341 PolarHBondContact O-N 3.29Å; I338-K342 HydrophobicContact CD1-CD 4.49Å; I338-K342 HydrophobicContact CD1-CG 4.41Å; I338-K342 HydrophobicContact CG1-CD 4.1Å; I338-K342 HydrophobicContact CG1-CG 4.48Å; I338-K342 VanDerWaalsContact O-CB 3.32Å; I338-K342 WeakPolarHBondContact O-CB 3.47Å; I338-K342 VanDerWaalsContact O-CG 3.26Å; I338-K342 WeakPolarHBondContact O-CG 3.38Å; I338-K342 PolarHBondContact O-N 2.67Å |
| 339 | Q | 95.9 | Very high | 93.7 | Very high | 132 Ų | 132 | 60.6 Ų | 60.6 | 62% | 0.617 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -65.3 | -44.8 | 173.7 | -73.7 | 175.4 | 23.6 | 0 | 0 | 111.6 | D335 A336 E337 L341 K342 Q343 | D335-Q339 WeakPolarHBondContact O-CB 3.37Å; D335-Q339 WeakPolarHBondContact O-CG 3.36Å; D335-Q339 PolarHBondContact O-N 3.43Å; D335-Q339 VanDerWaalsContact O-N 3.1Å; A336-Q339 PolarHBondContact O-N 3.15Å; E337-Q339 VanDerWaalsContact C-N 3.28Å; E337-Q339 PolarHBondContact O-N 3.31Å; Q339-L341 VanDerWaalsContact C-N 3.34Å; Q339-L341 PolarHBondContact O-N 2.8Å; Q339-K342 PolarHBondContact O-N 2.8Å; Q339-Q343 WeakPolarHBondContact O-CB 3.48Å; Q339-Q343 PolarHBondContact O-N 2.73Å |
| 340 | R | 95.4 | Very high | 93.5 | Very high | 127 Ų | 127 | 60.2 Ų | 60.2 | 48% | 0.479 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -58.1 | -46 | 175.2 | -173 | -171.4 | 74.5 | 95.5 | -2.1 | 111.5 | A336 E337 Q343 H344 | A336-R340 WeakPolarHBondContact O-CB 3.46Å; A336-R340 PolarHBondContact O-N 3.36Å; E337-R340 WeakPolarHBondContact O-CB 3.48Å; E337-R340 PolarHBondContact O-N 3.5Å; E337-R340 IonicContact OE1-CZ 3.39Å; E337-R340 IonicContact OE1-NE 2.8Å; E337-R340 IonicContact OE1-NH2 3.1Å; E337-R340 PolarHBondContact OE1-NH2 3.41Å; E337-R340 IonicContact OE2-CZ 3.88Å; E337-R340 IonicContact OE2-NE 3.42Å; E337-R340 PolarHBondContact OE2-NE 2.95Å; E337-R340 IonicContact OE2-NH2 2.73Å; E337-R340 PolarHBondContact OE2-NH2 2.88Å; R340-Q343 PolarHBondContact O-N 3.36Å; R340-H344 VanDerWaalsContact O-CB 3.31Å; R340-H344 WeakPolarHBondContact O-CB 3.49Å; R340-H344 PolarHBondContact O-N 3.2Å |
| 341 | L | 94.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.7 | -41.6 | 178.7 | -71.3 | 172.6 | 0 | 0 | 0 | 112.3 | I301 F304 F310 E337 I338 Q339 H344 Y345 | I301-L341 HydrophobicContact CB-CD1 4.32Å; I301-L341 HydrophobicContact CG1-CD1 4.2Å; I301-L341 HydrophobicContact CG2-CD1 3.79Å; F304-L341 HydrophobicContact CB-CB 4.15Å; F304-L341 HydrophobicContact CB-CD1 4.48Å; F310-L341 HydrophobicContact CE1-CD2 3.91Å; F310-L341 HydrophobicContact CE2-CD2 4.21Å; F310-L341 HydrophobicContact CZ-CD2 3.59Å; E337-L341 HydrophobicContact CG-CD1 4.16Å; E337-L341 WeakPolarHBondContact O-CG 3.23Å; E337-L341 PolarHBondContact O-N 3.13Å; I338-L341 PolarHBondContact O-N 3.29Å; Q339-L341 VanDerWaalsContact C-N 3.34Å; Q339-L341 PolarHBondContact O-N 2.8Å; L341-H344 PolarHBondContact O-N 3.37Å; L341-Y345 WeakPolarHBondContact O-CB 3.36Å; L341-Y345 PolarHBondContact O-N 2.96Å |
| 342 | K | 94.3 | Very high | 92.9 | Very high | 78 Ų | 78 | 59.1 Ų | 59.1 | 34% | 0.339 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.2 | -45.7 | 174.7 | -80.7 | 171.5 | 178.6 | 168.2 | 0 | 111.3 | E300 F304 I338 Q339 Y345 E346 | E300-K342 WeakPolarHBondContact OE2-CE 3.35Å; E300-K342 IonicContact OE2-NZ 2.86Å; E300-K342 PolarHBondContact OE2-NZ 3.45Å; F304-K342 HydrophobicContact CD1-CG 4.49Å; F304-K342 HydrophobicContact CD2-CG 4.27Å; F304-K342 HydrophobicContact CE1-CG 3.93Å; F304-K342 HydrophobicContact CE2-CD 4.3Å; F304-K342 HydrophobicContact CE2-CG 3.68Å; F304-K342 HydrophobicContact CZ-CD 4.36Å; F304-K342 HydrophobicContact CZ-CG 3.49Å; F304-K342 VanDerWaalsContact CZ-CG 3.49Å; I338-K342 HydrophobicContact CD1-CD 4.49Å; I338-K342 HydrophobicContact CD1-CG 4.41Å; I338-K342 HydrophobicContact CG1-CD 4.1Å; I338-K342 HydrophobicContact CG1-CG 4.48Å; I338-K342 VanDerWaalsContact O-CB 3.32Å; I338-K342 WeakPolarHBondContact O-CB 3.47Å; I338-K342 VanDerWaalsContact O-CG 3.26Å; I338-K342 WeakPolarHBondContact O-CG 3.38Å; I338-K342 PolarHBondContact O-N 2.67Å; Q339-K342 PolarHBondContact O-N 2.8Å; K342-Y345 PolarHBondContact O-N 2.97Å; K342-E346 PolarHBondContact O-N 3.4Å |
| 343 | Q | 93.8 | Very high | 92.7 | Very high | 111 Ų | 111 | 60.8 Ų | 60.8 | 52% | 0.519 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.4 | -48.3 | 177.2 | -171.8 | 60.8 | 45.4 | 0 | 0 | 111.2 | Q339 R340 Y345 E346 D347 | Q339-Q343 WeakPolarHBondContact O-CB 3.48Å; Q339-Q343 PolarHBondContact O-N 2.73Å; R340-Q343 PolarHBondContact O-N 3.36Å; Q343-Y345 VanDerWaalsContact C-N 3.27Å; Q343-Y345 PolarHBondContact O-N 2.88Å; Q343-E346 PolarHBondContact O-N 3.45Å; Q343-E346 VanDerWaalsContact O-N 3.15Å; Q343-D347 PolarHBondContact NE2-OD1 2.95Å; Q343-D347 PolarHBondContact NE2-OD2 3.39Å; Q343-D347 WeakPolarHBondContact O-CB 3.45Å; Q343-D347 VanDerWaalsContact O-CG 3.24Å; Q343-D347 PolarHBondContact O-N 3.22Å |
| 344 | H | 90.4 | Very high | 92.4 | Very high | 51 Ų | 51 | 57.6 Ų | 57.6 | 24% | 0.236 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58.5 | -38.6 | 177.5 | 178.5 | -97.1 | 0 | 0 | 0 | 112.8 | R340 L341 H348 F352 | R340-H344 VanDerWaalsContact O-CB 3.31Å; R340-H344 WeakPolarHBondContact O-CB 3.49Å; R340-H344 PolarHBondContact O-N 3.2Å; L341-H344 PolarHBondContact O-N 3.37Å; H344-H348 AromaticContact CD2-CE1 3.9Å; H344-H348 AromaticContact CD2-ND1 3.65Å; H344-H348 AromaticContact NE2-ND1 3.77Å; H344-H348 PolarHBondContact O-N 2.93Å; H344-H348 PolarHBondContact O-ND1 3.5Å; H344-F352 AromaticContact CE1-CZ 3.67Å |
| 345 | Y | 92.1 | Very high | 92.1 | Very high | 22 Ų | 22 | 57.7 Ų | 57.7 | 9% | 0.086 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.6 | -46.2 | 175 | 177.7 | -101.5 | 0 | 0 | 0 | 112 | F304 K307 L341 K342 Q343 H348 K349 F352 | F304-Y345 HydrophobicContact CD1-CG 4.13Å; F304-Y345 AromaticContact CE1-CD1 3.89Å; F304-Y345 HydrophobicContact CE1-CD1 3.89Å; F304-Y345 AromaticContact CE1-CG 3.96Å; F304-Y345 HydrophobicContact CE1-CG 3.96Å; K307-Y345 HydrophobicContact CB-CD2 4.13Å; K307-Y345 HydrophobicContact CB-CE2 3.93Å; K307-Y345 HydrophobicContact CD-CE2 4.38Å; L341-Y345 WeakPolarHBondContact O-CB 3.36Å; L341-Y345 PolarHBondContact O-N 2.96Å; K342-Y345 PolarHBondContact O-N 2.97Å; Q343-Y345 VanDerWaalsContact C-N 3.27Å; Q343-Y345 PolarHBondContact O-N 2.88Å; Y345-H348 CarbonylContact O-C 3.25Å; Y345-H348 PolarHBondContact O-N 2.83Å; Y345-K349 HydrophobicContact CE1-CD 4.35Å; Y345-K349 HydrophobicContact CE1-CG 4.15Å; Y345-K349 WeakPolarHBondContact O-CA 3.48Å; Y345-K349 WeakPolarHBondContact O-CB 3.41Å; Y345-K349 PolarHBondContact O-N 2.65Å; Y345-F352 HydrophobicContact CD2-CB 4.47Å; Y345-F352 AromaticContact CD2-CD2 3.75Å; Y345-F352 HydrophobicContact CD2-CD2 3.75Å; Y345-F352 HydrophobicContact CD2-CE2 4.43Å; Y345-F352 HydrophobicContact CD2-CG 4.41Å; Y345-F352 HydrophobicContact CE2-CB 4.08Å; Y345-F352 HydrophobicContact CE2-CD2 4.2Å |
| 346 | E | 93.5 | Very high | 91.8 | Very high | 103 Ų | 103 | 58.6 Ų | 58.6 | 48% | 0.481 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -67.6 | -38.8 | -179.3 | -73.1 | -62.3 | 141.3 | 0 | 0 | 112.3 | K342 Q343 H348 K349 | K342-E346 PolarHBondContact O-N 3.4Å; Q343-E346 PolarHBondContact O-N 3.45Å; Q343-E346 VanDerWaalsContact O-N 3.15Å; E346-H348 PolarHBondContact O-N 3.01Å; E346-K349 PolarHBondContact O-N 3.44Å; E346-K349 IonicContact OE1-NZ 3.88Å; E346-K349 PolarHBondContact OE1-NZ 3.17Å; E346-K349 WeakPolarHBondContact OE2-CD 3.45Å; E346-K349 IonicContact OE2-NZ 3.89Å; E346-K349 PolarHBondContact OE2-NZ 2.99Å |
| 347 | D | 88.3 | Confident | 91.6 | Very high | 100 Ų | 100 | 61.9 Ų | 61.9 | 54% | 0.535 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.4 | -33.7 | 176.9 | -68.6 | -21.7 | 0 | 0 | 0 | 112.3 | Q343 | Q343-D347 PolarHBondContact NE2-OD1 2.95Å; Q343-D347 PolarHBondContact NE2-OD2 3.39Å; Q343-D347 WeakPolarHBondContact O-CB 3.45Å; Q343-D347 VanDerWaalsContact O-CG 3.24Å; Q343-D347 PolarHBondContact O-N 3.22Å |
| 348 | H | 87.2 | Confident | 91.4 | Very high | 23 Ų | 23 | 61 Ų | 61 | 11% | 0.106 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.3 | 20.7 | -174.8 | -51.6 | 109 | 0 | 0 | 0 | 113.3 | H344 Y345 E346 E350 L351 F352 W413 | H344-H348 AromaticContact CD2-CE1 3.9Å; H344-H348 AromaticContact CD2-ND1 3.65Å; H344-H348 AromaticContact NE2-ND1 3.77Å; H344-H348 PolarHBondContact O-N 2.93Å; H344-H348 PolarHBondContact O-ND1 3.5Å; Y345-H348 CarbonylContact O-C 3.25Å; Y345-H348 PolarHBondContact O-N 2.83Å; E346-H348 PolarHBondContact O-N 3.01Å; H348-E350 VanDerWaalsContact C-N 3.32Å; H348-E350 PolarHBondContact O-N 3.45Å; H348-L351 HydrophobicContact CB-CD1 4.45Å; H348-L351 WeakPolarHBondContact O-CB 3.28Å; H348-L351 PolarHBondContact O-N 3.49Å; H348-F352 HydrophobicContact CB-CD2 4.1Å; H348-F352 HydrophobicContact CB-CE2 3.64Å; H348-F352 HydrophobicContact CB-CZ 4.25Å; H348-F352 WeakPolarHBondContact O-CD2 3.44Å; H348-F352 PolarHBondContact O-N 2.98Å; H348-W413 AromaticContact CD2-CD1 3.21Å; H348-W413 AromaticContact CD2-NE1 2.89Å; H348-W413 PolarHBondContact CD2-NE1 2.83Å; H348-W413 AromaticContact CE1-NE1 3.72Å; H348-W413 AromaticContact CG-NE1 3.59Å; H348-W413 AromaticContact NE2-CD1 3.55Å; H348-W413 AromaticContact NE2-NE1 2.94Å; H348-W413 PolarHBondContact NE2-NE1 3.31Å |
| 349 | K | 89.8 | Confident | 91.1 | Very high | 64 Ų | 64 | 63.3 Ų | 63.3 | 28% | 0.278 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -57 | -43.4 | -171 | -174.2 | 173.6 | -170.2 | 154.7 | 0 | 113.5 | Y345 E346 L351 F352 E353 | Y345-K349 HydrophobicContact CE1-CD 4.35Å; Y345-K349 HydrophobicContact CE1-CG 4.15Å; Y345-K349 WeakPolarHBondContact O-CA 3.48Å; Y345-K349 WeakPolarHBondContact O-CB 3.41Å; Y345-K349 PolarHBondContact O-N 2.65Å; E346-K349 PolarHBondContact O-N 3.44Å; E346-K349 IonicContact OE1-NZ 3.88Å; E346-K349 PolarHBondContact OE1-NZ 3.17Å; E346-K349 WeakPolarHBondContact OE2-CD 3.45Å; E346-K349 IonicContact OE2-NZ 3.89Å; E346-K349 PolarHBondContact OE2-NZ 2.99Å; K349-L351 PolarHBondContact O-N 3.32Å; K349-F352 PolarHBondContact O-N 3.4Å; K349-E353 WeakPolarHBondContact CE-OE1 3.38Å; K349-E353 HydrophobicContact CG-CG 4.16Å; K349-E353 WeakPolarHBondContact CG-OE1 3.48Å; K349-E353 WeakPolarHBondContact O-CB 3.27Å; K349-E353 WeakPolarHBondContact O-CG 3.44Å; K349-E353 PolarHBondContact O-N 2.91Å |
| 350 | E | 87.9 | Confident | 90.8 | Very high | 134 Ų | 134 | 62.1 Ų | 62.1 | 63% | 0.626 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -61.9 | -32.8 | -179.1 | -63.8 | -164.6 | 174.3 | 0 | 0 | 112.7 | H348 G354 Q409 | H348-E350 VanDerWaalsContact C-N 3.32Å; H348-E350 PolarHBondContact O-N 3.45Å; E350-G354 PolarHBondContact O-N 3.21Å; E350-Q409 PolarHBondContact OE2-NE2 2.89Å |
| 351 | L | 87.9 | Confident | 90.6 | Very high | 13 Ų | 13 | 57.3 Ų | 57.3 | 7% | 0.068 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -70.3 | -51.7 | 176.1 | -75.7 | 163.3 | 0 | 0 | 0 | 110.4 | H348 K349 G354 V355 Q409 I410 W413 | H348-L351 HydrophobicContact CB-CD1 4.45Å; H348-L351 WeakPolarHBondContact O-CB 3.28Å; H348-L351 PolarHBondContact O-N 3.49Å; K349-L351 PolarHBondContact O-N 3.32Å; L351-G354 WeakPolarHBondContact O-CA 3.4Å; L351-G354 PolarHBondContact O-N 3.45Å; L351-G354 VanDerWaalsContact O-N 3.14Å; L351-V355 WeakPolarHBondContact O-CG2 3.31Å; L351-V355 PolarHBondContact O-N 2.9Å; L351-Q409 HydrophobicContact CD2-CB 3.47Å; L351-Q409 VanDerWaalsContact CD2-CB 3.47Å; L351-Q409 HydrophobicContact CG-CB 4.4Å; L351-I410 HydrophobicContact CD2-CG1 3.79Å; L351-W413 HydrophobicContact CD1-CB 3.76Å; L351-W413 HydrophobicContact CD1-CD2 4.48Å; L351-W413 HydrophobicContact CD1-CG 3.66Å |
| 352 | F | 89.9 | Confident | 90.5 | Very high | 7 Ų | 7 | 57.6 Ų | 57.6 | 3% | 0.031 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.2 | -46 | -179.5 | -64.6 | -50.5 | 0 | 0 | 0 | 112.5 | C308 F309 H344 Y345 H348 K349 G354 V355 Q356 F421 | C308-F352 HydrophobicContact CB-CE1 4.13Å; C308-F352 HydrophobicContact CB-CE2 4.2Å; C308-F352 HydrophobicContact CB-CZ 3.9Å; C308-F352 WeakPolarHBondContact O-CE1 3.39Å; F309-F352 AromaticContact CD2-CD1 3.96Å; F309-F352 HydrophobicContact CD2-CD1 3.96Å; F309-F352 HydrophobicContact CE2-CD1 4.35Å; H344-F352 AromaticContact CE1-CZ 3.67Å; Y345-F352 HydrophobicContact CD2-CB 4.47Å; Y345-F352 AromaticContact CD2-CD2 3.75Å; Y345-F352 HydrophobicContact CD2-CD2 3.75Å; Y345-F352 HydrophobicContact CD2-CE2 4.43Å; Y345-F352 HydrophobicContact CD2-CG 4.41Å; Y345-F352 HydrophobicContact CE2-CB 4.08Å; Y345-F352 HydrophobicContact CE2-CD2 4.2Å; H348-F352 HydrophobicContact CB-CD2 4.1Å; H348-F352 HydrophobicContact CB-CE2 3.64Å; H348-F352 HydrophobicContact CB-CZ 4.25Å; H348-F352 WeakPolarHBondContact O-CD2 3.44Å; H348-F352 PolarHBondContact O-N 2.98Å; K349-F352 PolarHBondContact O-N 3.4Å; F352-G354 VanDerWaalsContact C-N 3.26Å; F352-G354 PolarHBondContact O-N 2.97Å; F352-V355 PolarHBondContact O-N 2.99Å; F352-Q356 WeakPolarHBondContact O-CB 3.47Å; F352-Q356 PolarHBondContact O-N 3.33Å; F352-F421 HydrophobicContact CD1-CE2 4.45Å; F352-F421 HydrophobicContact CD1-CZ 4.27Å; F352-F421 AromaticContact CE1-CE2 3.89Å; F352-F421 HydrophobicContact CE1-CE2 3.89Å; F352-F421 HydrophobicContact CE1-CZ 4.09Å |
| 353 | E | 90.8 | Very high | 90.3 | Very high | 91 Ų | 91 | 60.7 Ų | 60.7 | 43% | 0.425 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.8 | -35.5 | 174.5 | -71 | -177.8 | 179 | 0 | 0 | 111.7 | K349 K357 | K349-E353 WeakPolarHBondContact CE-OE1 3.38Å; K349-E353 HydrophobicContact CG-CG 4.16Å; K349-E353 WeakPolarHBondContact CG-OE1 3.48Å; K349-E353 WeakPolarHBondContact O-CB 3.27Å; K349-E353 WeakPolarHBondContact O-CG 3.44Å; K349-E353 PolarHBondContact O-N 2.91Å; E353-K357 WeakPolarHBondContact O-CB 3.47Å; E353-K357 PolarHBondContact O-N 3.42Å |
| 354 | G | 89.9 | Confident | 90.1 | Very high | 10 Ų | 10 | 59.4 Ų | 59.4 | 10% | 0.103 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.4 | -46.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | E350 L351 F352 K357 W358 L406 | E350-G354 PolarHBondContact O-N 3.21Å; L351-G354 WeakPolarHBondContact O-CA 3.4Å; L351-G354 PolarHBondContact O-N 3.45Å; L351-G354 VanDerWaalsContact O-N 3.14Å; F352-G354 VanDerWaalsContact C-N 3.26Å; F352-G354 PolarHBondContact O-N 2.97Å; G354-K357 PolarHBondContact O-N 2.92Å; G354-W358 PolarHBondContact O-N 3.34Å; G354-L406 WeakPolarHBondContact O-CD1 3.15Å |
| 355 | V | 89.9 | Confident | 90 | Very high | 2 Ų | 2 | 57.1 Ų | 57.1 | 1% | 0.012 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.6 | -49.3 | 175.8 | 169.6 | 0 | 0 | 0 | 0 | 110.4 | F309 L351 F352 K357 W358 E359 F421 V423 F428 | F309-V355 HydrophobicContact CD2-CG1 4.18Å; F309-V355 HydrophobicContact CE1-CG1 4.21Å; F309-V355 HydrophobicContact CE2-CB 4.04Å; F309-V355 HydrophobicContact CE2-CG1 3.65Å; F309-V355 HydrophobicContact CZ-CB 4.35Å; F309-V355 HydrophobicContact CZ-CG1 3.67Å; L351-V355 WeakPolarHBondContact O-CG2 3.31Å; L351-V355 PolarHBondContact O-N 2.9Å; F352-V355 PolarHBondContact O-N 2.99Å; V355-K357 VanDerWaalsContact C-N 3.33Å; V355-K357 PolarHBondContact O-N 3.47Å; V355-W358 WeakPolarHBondContact O-CB 3.31Å; V355-W358 PolarHBondContact O-N 2.97Å; V355-W358 VanDerWaalsContact O-N 3.11Å; V355-E359 PolarHBondContact O-N 2.87Å; V355-F421 HydrophobicContact CG2-CE1 3.87Å; V355-F421 HydrophobicContact CG2-CZ 4.11Å; V355-V423 HydrophobicContact CG1-CG1 4.31Å; V355-V423 HydrophobicContact CG1-CG2 4.14Å; V355-V423 HydrophobicContact CG2-CG2 4.47Å; V355-F428 HydrophobicContact CB-CE2 4.28Å; V355-F428 HydrophobicContact CG1-CD2 3.95Å; V355-F428 HydrophobicContact CG1-CE2 3.7Å; V355-F428 HydrophobicContact CG1-CZ 4.41Å; V355-F428 HydrophobicContact CG2-CD1 4.4Å; V355-F428 HydrophobicContact CG2-CD2 4.11Å; V355-F428 HydrophobicContact CG2-CE1 4.36Å; V355-F428 HydrophobicContact CG2-CE2 4.08Å; V355-F428 HydrophobicContact CG2-CG 4.28Å; V355-F428 HydrophobicContact CG2-CZ 4.19Å |
| 356 | Q | 90.1 | Very high | 89.7 | Confident | 84 Ų | 84 | 58.4 Ų | 58.4 | 39% | 0.393 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -58 | -46.6 | 177.2 | -176.3 | -177.8 | -12 | 0 | 0 | 111.2 | F309 F352 W358 E359 E360 | F309-Q356 HydrophobicContact CZ-CB 4.25Å; F352-Q356 WeakPolarHBondContact O-CB 3.47Å; F352-Q356 PolarHBondContact O-N 3.33Å; Q356-W358 VanDerWaalsContact C-N 3.28Å; Q356-W358 PolarHBondContact O-N 2.89Å; Q356-E359 PolarHBondContact O-N 3.39Å; Q356-E359 VanDerWaalsContact O-N 3.17Å; Q356-E360 HydrophobicContact CG-CG 4.48Å; Q356-E360 WeakPolarHBondContact CG-OE1 3.32Å; Q356-E360 PolarHBondContact NE2-OE1 3.48Å; Q356-E360 WeakPolarHBondContact O-CG 3.28Å; Q356-E360 PolarHBondContact O-N 3.01Å |
| 357 | K | 91.4 | Very high | 89.4 | Confident | 124 Ų | 124 | 56.7 Ų | 56.7 | 54% | 0.539 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.2 | -36 | 177.7 | -175.5 | 175.3 | -174.4 | 169.1 | 0 | 112.3 | E353 G354 V355 S361 L402 | E353-K357 WeakPolarHBondContact O-CB 3.47Å; E353-K357 PolarHBondContact O-N 3.42Å; G354-K357 PolarHBondContact O-N 2.92Å; V355-K357 VanDerWaalsContact C-N 3.33Å; V355-K357 PolarHBondContact O-N 3.47Å; K357-S361 WeakPolarHBondContact O-CB 3.37Å; K357-S361 PolarHBondContact O-N 3.46Å; K357-S361 PolarHBondContact O-OG 3.43Å; K357-L402 HydrophobicContact CB-CD2 4.49Å; K357-L402 HydrophobicContact CG-CD2 4.2Å |
| 358 | W | 91.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.5 | -47.1 | 174 | -179.4 | 92.1 | 0 | 0 | 0 | 110.6 | G354 V355 Q356 E360 S361 W362 L399 L402 E403 L406 F428 Y431 V432 Q435 | G354-W358 PolarHBondContact O-N 3.34Å; V355-W358 WeakPolarHBondContact O-CB 3.31Å; V355-W358 PolarHBondContact O-N 2.97Å; V355-W358 VanDerWaalsContact O-N 3.11Å; Q356-W358 VanDerWaalsContact C-N 3.28Å; Q356-W358 PolarHBondContact O-N 2.89Å; W358-E360 PolarHBondContact O-N 3.36Å; W358-S361 PolarHBondContact O-N 3.25Å; W358-W362 HydrophobicContact CE3-CB 4.45Å; W358-W362 HydrophobicContact CH2-CB 4.16Å; W358-W362 HydrophobicContact CH2-CD2 4.25Å; W358-W362 AromaticContact CH2-CG 3.89Å; W358-W362 HydrophobicContact CH2-CG 3.89Å; W358-W362 HydrophobicContact CZ2-CB 4.26Å; W358-W362 HydrophobicContact CZ2-CD2 4.2Å; W358-W362 HydrophobicContact CZ2-CE3 4.38Å; W358-W362 HydrophobicContact CZ2-CG 4.14Å; W358-W362 HydrophobicContact CZ3-CB 4.25Å; W358-W362 HydrophobicContact CZ3-CG 4.33Å; W358-W362 VanDerWaalsContact O-CB 3.3Å; W358-W362 WeakPolarHBondContact O-CB 3.46Å; W358-W362 PolarHBondContact O-N 2.86Å; W358-L399 HydrophobicContact CG-CD2 4.34Å; W358-L402 HydrophobicContact CB-CD2 3.73Å; W358-L402 HydrophobicContact CB-CG 4.36Å; W358-L402 HydrophobicContact CG-CD2 4.42Å; W358-E403 PolarHBondContact NE1-OE1 3.46Å; W358-L406 HydrophobicContact CB-CD1 3.88Å; W358-L406 HydrophobicContact CG-CD1 4.43Å; W358-F428 HydrophobicContact CB-CZ 4.12Å; W358-F428 HydrophobicContact CD2-CE2 4.34Å; W358-F428 AromaticContact CD2-CZ 3.84Å; W358-F428 HydrophobicContact CD2-CZ 3.84Å; W358-F428 AromaticContact CE3-CE2 3.85Å; W358-F428 HydrophobicContact CE3-CE2 3.85Å; W358-F428 AromaticContact CE3-CZ 3.83Å; W358-F428 HydrophobicContact CE3-CZ 3.83Å; W358-F428 AromaticContact CG-CZ 3.95Å; W358-F428 HydrophobicContact CG-CZ 3.95Å; W358-F428 HydrophobicContact CZ3-CE2 4.38Å; W358-Y431 HydrophobicContact CH2-CE1 4.33Å; W358-Y431 HydrophobicContact CZ3-CD1 4.21Å; W358-Y431 AromaticContact CZ3-CE1 3.75Å; W358-Y431 HydrophobicContact CZ3-CE1 3.75Å; W358-V432 HydrophobicContact CD2-CG2 4.1Å; W358-V432 HydrophobicContact CE3-CG2 4.21Å; W358-V432 HydrophobicContact CH2-CB 4.23Å; W358-V432 HydrophobicContact CH2-CG1 4.39Å; W358-V432 HydrophobicContact CH2-CG2 3.76Å; W358-V432 HydrophobicContact CZ2-CB 3.98Å; W358-V432 HydrophobicContact CZ2-CG1 3.67Å; W358-V432 HydrophobicContact CZ2-CG2 3.62Å; W358-V432 HydrophobicContact CZ3-CG2 4.06Å; W358-Q435 HydrophobicContact CH2-CB 4.19Å; W358-Q435 HydrophobicContact CH2-CG 4.18Å |
| 359 | E | 88.4 | Confident | 89.2 | Confident | 54 Ų | 54 | 51.9 Ų | 51.9 | 25% | 0.252 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62.1 | -43.3 | 179.3 | -161.8 | -170.5 | 150.7 | 0 | 0 | 111.9 | V355 Q356 W362 R363 | V355-E359 PolarHBondContact O-N 2.87Å; Q356-E359 PolarHBondContact O-N 3.39Å; Q356-E359 VanDerWaalsContact O-N 3.17Å; E359-W362 PolarHBondContact O-N 3.19Å; E359-R363 VanDerWaalsContact O-CB 3.31Å; E359-R363 WeakPolarHBondContact O-CB 3.41Å; E359-R363 PolarHBondContact O-N 2.81Å; E359-R363 IonicContact OE1-CZ 2.67Å; E359-R363 IonicContact OE1-NH2 3.88Å; E359-R363 PolarHBondContact OE1-NH2 3.25Å |
| 360 | E | 91.1 | Very high | 88.9 | Confident | 107 Ų | 107 | 55.9 Ų | 55.9 | 50% | 0.5 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.7 | -44.1 | 174.3 | -72.2 | 173.7 | -174.3 | 0 | 0 | 111.9 | Q356 W358 W362 R363 L364 | Q356-E360 HydrophobicContact CG-CG 4.48Å; Q356-E360 WeakPolarHBondContact CG-OE1 3.32Å; Q356-E360 PolarHBondContact NE2-OE1 3.48Å; Q356-E360 WeakPolarHBondContact O-CG 3.28Å; Q356-E360 PolarHBondContact O-N 3.01Å; W358-E360 PolarHBondContact O-N 3.36Å; E360-W362 VanDerWaalsContact C-N 3.34Å; E360-R363 PolarHBondContact O-N 3.43Å; E360-L364 WeakPolarHBondContact O-CB 3.08Å; E360-L364 PolarHBondContact O-N 2.99Å |
| 361 | S | 91 | Very high | 88.7 | Confident | 25 Ų | 25 | 54.8 Ų | 54.8 | 18% | 0.175 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.5 | -38.6 | 177.9 | -62.3 | 0 | 0 | 0 | 0 | 111.8 | K357 W358 Y365 | K357-S361 WeakPolarHBondContact O-CB 3.37Å; K357-S361 PolarHBondContact O-N 3.46Å; K357-S361 PolarHBondContact O-OG 3.43Å; W358-S361 PolarHBondContact O-N 3.25Å; S361-Y365 WeakPolarHBondContact O-CB 3.37Å; S361-Y365 PolarHBondContact O-N 3.4Å |
| 362 | W | 90.5 | Very high | 88.3 | Confident | 7 Ų | 7 | 55.5 Ų | 55.5 | 3% | 0.027 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -68.3 | -46.1 | 177.2 | -178.5 | -113.9 | 0 | 0 | 0 | 111.4 | W358 E359 E360 L364 Y365 L366 L399 Q435 W436 H439 | W358-W362 HydrophobicContact CE3-CB 4.45Å; W358-W362 HydrophobicContact CH2-CB 4.16Å; W358-W362 HydrophobicContact CH2-CD2 4.25Å; W358-W362 AromaticContact CH2-CG 3.89Å; W358-W362 HydrophobicContact CH2-CG 3.89Å; W358-W362 HydrophobicContact CZ2-CB 4.26Å; W358-W362 HydrophobicContact CZ2-CD2 4.2Å; W358-W362 HydrophobicContact CZ2-CE3 4.38Å; W358-W362 HydrophobicContact CZ2-CG 4.14Å; W358-W362 HydrophobicContact CZ3-CB 4.25Å; W358-W362 HydrophobicContact CZ3-CG 4.33Å; W358-W362 VanDerWaalsContact O-CB 3.3Å; W358-W362 WeakPolarHBondContact O-CB 3.46Å; W358-W362 PolarHBondContact O-N 2.86Å; E359-W362 PolarHBondContact O-N 3.19Å; E360-W362 VanDerWaalsContact C-N 3.34Å; W362-L364 PolarHBondContact O-N 2.88Å; W362-Y365 HydrophobicContact CE3-CD1 4.25Å; W362-Y365 AromaticContact CZ3-CD1 3.97Å; W362-Y365 HydrophobicContact CZ3-CD1 3.97Å; W362-Y365 HydrophobicContact CZ3-CE1 4.31Å; W362-Y365 WeakPolarHBondContact O-CB 3.3Å; W362-Y365 PolarHBondContact O-N 3.2Å; W362-Y365 VanDerWaalsContact O-N 3.15Å; W362-L366 HydrophobicContact CZ2-CD2 4.23Å; W362-L366 HydrophobicContact CZ2-CG 4.48Å; W362-L366 WeakPolarHBondContact O-CG 3.32Å; W362-L366 PolarHBondContact O-N 3.16Å; W362-L399 HydrophobicContact CB-CD2 4.32Å; W362-L399 HydrophobicContact CE3-CD1 3.87Å; W362-L399 HydrophobicContact CE3-CD2 4.48Å; W362-L399 HydrophobicContact CZ3-CD1 4.38Å; W362-Q435 HydrophobicContact CZ2-CB 3.9Å; W362-Q435 WeakPolarHBondContact CZ2-O 3.41Å; W362-W436 HydrophobicContact CE3-CZ2 4.31Å; W362-W436 AromaticContact CH2-CD2 3.64Å; W362-W436 HydrophobicContact CH2-CD2 3.64Å; W362-W436 AromaticContact CH2-CE3 3.63Å; W362-W436 HydrophobicContact CH2-CE3 3.63Å; W362-W436 HydrophobicContact CH2-CG 4.12Å; W362-W436 HydrophobicContact CH2-CH2 4.37Å; W362-W436 HydrophobicContact CH2-CZ2 4.37Å; W362-W436 HydrophobicContact CH2-CZ3 4Å; W362-W436 AromaticContact CZ3-CD2 3.64Å; W362-W436 HydrophobicContact CZ3-CD2 3.64Å; W362-W436 AromaticContact CZ3-CE2 3.49Å; W362-W436 VanDerWaalsContact CZ3-CE2 3.49Å; W362-W436 AromaticContact CZ3-CE3 3.77Å; W362-W436 HydrophobicContact CZ3-CE3 3.77Å; W362-W436 HydrophobicContact CZ3-CG 4.36Å; W362-W436 AromaticContact CZ3-CH2 3.68Å; W362-W436 HydrophobicContact CZ3-CH2 3.68Å; W362-W436 AromaticContact CZ3-CZ2 3.54Å; W362-W436 HydrophobicContact CZ3-CZ2 3.54Å; W362-W436 AromaticContact CZ3-CZ3 3.79Å; W362-W436 HydrophobicContact CZ3-CZ3 3.79Å; W362-H439 HydrophobicContact CH2-CB 3.98Å; W362-H439 HydrophobicContact CZ2-CB 4.02Å |
| 363 | R | 90.9 | Very high | 87.6 | Confident | 143 Ų | 143 | 58 Ų | 58 | 54% | 0.54 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -59.5 | -46.1 | 175.1 | -168.3 | -179.1 | -64.2 | 169.1 | 1.6 | 111.3 | E359 E360 Y365 L366 D367 | E359-R363 VanDerWaalsContact O-CB 3.31Å; E359-R363 WeakPolarHBondContact O-CB 3.41Å; E359-R363 PolarHBondContact O-N 2.81Å; E359-R363 IonicContact OE1-CZ 2.67Å; E359-R363 IonicContact OE1-NH2 3.88Å; E359-R363 PolarHBondContact OE1-NH2 3.25Å; E360-R363 PolarHBondContact O-N 3.43Å; R363-Y365 VanDerWaalsContact C-N 3.32Å; R363-Y365 PolarHBondContact O-N 3.34Å; R363-L366 PolarHBondContact O-N 3.44Å; R363-D367 PolarHBondContact O-N 2.91Å |
| 364 | L | 89.6 | Confident | 86.9 | Confident | 83 Ų | 83 | 57 Ų | 57 | 44% | 0.435 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.1 | -39.3 | 175.1 | -179 | 61 | 0 | 0 | 0 | 112.1 | E360 W362 D367 L368 L395 | E360-L364 WeakPolarHBondContact O-CB 3.08Å; E360-L364 PolarHBondContact O-N 2.99Å; W362-L364 PolarHBondContact O-N 2.88Å; L364-D367 PolarHBondContact O-N 2.9Å; L364-L368 HydrophobicContact CD1-CG 4.44Å; L364-L368 HydrophobicContact CG-CD1 4.36Å; L364-L368 WeakPolarHBondContact O-CG 3.39Å; L364-L368 PolarHBondContact O-N 3.37Å; L364-L395 HydrophobicContact CB-CD1 4.32Å; L364-L395 HydrophobicContact CD2-CD1 3.9Å; L364-L395 HydrophobicContact CG-CD1 3.85Å |
| 365 | Y | 88.4 | Confident | 86 | Confident | 4 Ų | 4 | 61.8 Ų | 61.8 | 2% | 0.016 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.4 | -47.2 | 175.3 | 178.1 | -96.1 | 0 | 0 | 0 | 111.6 | S361 W362 R363 D367 L368 E369 R392 L395 Q396 L399 | S361-Y365 WeakPolarHBondContact O-CB 3.37Å; S361-Y365 PolarHBondContact O-N 3.4Å; W362-Y365 HydrophobicContact CE3-CD1 4.25Å; W362-Y365 AromaticContact CZ3-CD1 3.97Å; W362-Y365 HydrophobicContact CZ3-CD1 3.97Å; W362-Y365 HydrophobicContact CZ3-CE1 4.31Å; W362-Y365 WeakPolarHBondContact O-CB 3.3Å; W362-Y365 PolarHBondContact O-N 3.2Å; W362-Y365 VanDerWaalsContact O-N 3.15Å; R363-Y365 VanDerWaalsContact C-N 3.32Å; R363-Y365 PolarHBondContact O-N 3.34Å; Y365-D367 VanDerWaalsContact C-N 3.34Å; Y365-D367 PolarHBondContact O-N 2.73Å; Y365-L368 PolarHBondContact O-N 2.99Å; Y365-E369 HydrophobicContact CD1-CG 4.2Å; Y365-E369 HydrophobicContact CE1-CG 3.78Å; Y365-E369 WeakPolarHBondContact CE1-OE1 3.38Å; Y365-E369 VanDerWaalsContact CZ-OE1 3.25Å; Y365-E369 WeakPolarHBondContact O-CB 3.37Å; Y365-E369 WeakPolarHBondContact O-CG 3.42Å; Y365-E369 PolarHBondContact O-N 2.94Å; Y365-E369 PolarHBondContact OH-OE1 3.43Å; Y365-R392 HydrophobicContact CD2-CG 4.1Å; Y365-R392 HydrophobicContact CE2-CG 3.76Å; Y365-L395 HydrophobicContact CD2-CB 4.06Å; Y365-Q396 HydrophobicContact CE2-CB 4.03Å; Y365-Q396 HydrophobicContact CE2-CG 4.43Å; Y365-L399 HydrophobicContact CD2-CD1 4.35Å; Y365-L399 HydrophobicContact CG-CD1 4.07Å |
| 366 | L | 86.7 | Confident | 85.2 | Confident | 48 Ų | 48 | 66.1 Ų | 66.1 | 25% | 0.251 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.1 | -38.6 | 175.8 | -70.3 | 176.9 | 0 | 0 | 0 | 112.6 | W362 R363 E369 K370 | W362-L366 HydrophobicContact CZ2-CD2 4.23Å; W362-L366 HydrophobicContact CZ2-CG 4.48Å; W362-L366 WeakPolarHBondContact O-CG 3.32Å; W362-L366 PolarHBondContact O-N 3.16Å; R363-L366 PolarHBondContact O-N 3.44Å; L366-E369 WeakPolarHBondContact O-CB 3.32Å; L366-E369 PolarHBondContact O-N 3.44Å; L366-K370 WeakPolarHBondContact O-CG 3.48Å; L366-K370 PolarHBondContact O-N 3.17Å |
| 367 | D | 86.9 | Confident | 84.3 | Confident | 68 Ų | 68 | 63.6 Ų | 63.6 | 36% | 0.364 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -67.2 | -40.8 | 177 | -75 | -16.6 | 0 | 0 | 0 | 112.1 | R363 L364 Y365 E369 K370 K371 | R363-D367 PolarHBondContact O-N 2.91Å; L364-D367 PolarHBondContact O-N 2.9Å; Y365-D367 VanDerWaalsContact C-N 3.34Å; Y365-D367 PolarHBondContact O-N 2.73Å; D367-E369 VanDerWaalsContact C-N 3.31Å; D367-K370 PolarHBondContact O-N 3.38Å; D367-K371 WeakPolarHBondContact O-CB 3.37Å; D367-K371 VanDerWaalsContact O-CG 3.26Å; D367-K371 WeakPolarHBondContact O-CG 3.49Å; D367-K371 PolarHBondContact O-N 2.99Å |
| 368 | L | 86.4 | Confident | 83.2 | Confident | 10 Ų | 10 | 65.5 Ų | 65.5 | 5% | 0.052 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65.9 | -35.2 | 173.5 | -71.3 | 174.7 | 0 | 0 | 0 | 111.8 | L364 Y365 A372 E388 Q391 R392 L395 | L364-L368 HydrophobicContact CD1-CG 4.44Å; L364-L368 HydrophobicContact CG-CD1 4.36Å; L364-L368 WeakPolarHBondContact O-CG 3.39Å; L364-L368 PolarHBondContact O-N 3.37Å; Y365-L368 PolarHBondContact O-N 2.99Å; L368-A372 WeakPolarHBondContact O-CB 3.39Å; L368-A372 PolarHBondContact O-N 3.34Å; L368-E388 HydrophobicContact CD2-CB 4.14Å; L368-E388 HydrophobicContact CD2-CG 4.08Å; L368-Q391 HydrophobicContact CD1-CB 4.1Å; L368-R392 HydrophobicContact CB-CB 4.48Å; L368-R392 HydrophobicContact CD1-CB 4.28Å; L368-L395 HydrophobicContact CD1-CD1 3.87Å |
| 369 | E | 84.6 | Confident | 82.1 | Confident | 12 Ų | 12 | 69.5 Ų | 69.5 | 6% | 0.056 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.8 | -48.5 | 173 | -79.6 | -120.3 | 166.1 | 0 | 0 | 112.5 | Y365 L366 D367 K371 A372 T373 R392 H439 K443 | Y365-E369 HydrophobicContact CD1-CG 4.2Å; Y365-E369 HydrophobicContact CE1-CG 3.78Å; Y365-E369 WeakPolarHBondContact CE1-OE1 3.38Å; Y365-E369 VanDerWaalsContact CZ-OE1 3.25Å; Y365-E369 WeakPolarHBondContact O-CB 3.37Å; Y365-E369 WeakPolarHBondContact O-CG 3.42Å; Y365-E369 PolarHBondContact O-N 2.94Å; Y365-E369 PolarHBondContact OH-OE1 3.43Å; L366-E369 WeakPolarHBondContact O-CB 3.32Å; L366-E369 PolarHBondContact O-N 3.44Å; D367-E369 VanDerWaalsContact C-N 3.31Å; E369-K371 VanDerWaalsContact C-N 3.32Å; E369-K371 PolarHBondContact O-N 2.94Å; E369-A372 WeakPolarHBondContact O-CB 3.46Å; E369-A372 PolarHBondContact O-N 3.36Å; E369-T373 PolarHBondContact O-N 2.9Å; E369-T373 VanDerWaalsContact O-N 3.12Å; E369-R392 VanDerWaalsContact CD-NH2 3.32Å; E369-R392 IonicContact OE1-CZ 3.55Å; E369-R392 IonicContact OE1-NE 3.05Å; E369-R392 IonicContact OE1-NH2 3.18Å; E369-R392 PolarHBondContact OE1-NH2 2.88Å; E369-R392 IonicContact OE2-NH2 3.01Å; E369-H439 VanDerWaalsContact CD-CE1 3.49Å; E369-H439 IonicContact OE1-CE1 2.72Å; E369-H439 PolarHBondContact OE1-CE1 3.35Å; E369-H439 VanDerWaalsContact OE1-CE1 3.27Å; E369-H439 IonicContact OE1-NE2 3.53Å; E369-H439 PolarHBondContact OE1-NE2 3.47Å; E369-H439 IonicContact OE2-CD2 3.55Å; E369-H439 IonicContact OE2-CE1 3.91Å; E369-H439 PolarHBondContact OE2-CE1 2.93Å; E369-H439 IonicContact OE2-NE2 2.9Å; E369-H439 PolarHBondContact OE2-NE2 3.27Å; E369-K443 WeakPolarHBondContact OE2-CD 3.36Å; E369-K443 IonicContact OE2-NZ 3.5Å; E369-K443 PolarHBondContact OE2-NZ 2.82Å |
| 370 | K | 84.3 | Confident | 80.8 | Confident | 147 Ų | 147 | 71.9 Ų | 71.9 | 64% | 0.639 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -58.6 | -46 | 175.7 | -73 | 172.2 | -176 | 171.5 | 0 | 111 | L366 D367 A372 T373 D374 | L366-K370 WeakPolarHBondContact O-CG 3.48Å; L366-K370 PolarHBondContact O-N 3.17Å; D367-K370 PolarHBondContact O-N 3.38Å; K370-A372 VanDerWaalsContact C-N 3.26Å; K370-A372 PolarHBondContact O-N 3.15Å; K370-T373 PolarHBondContact O-N 3.25Å; K370-T373 VanDerWaalsContact O-N 3.16Å; K370-D374 PolarHBondContact O-N 2.83Å |
| 371 | K | 82.3 | Confident | 79.2 | Confident | 112 Ų | 112 | 79.1 Ų | 79.1 | 49% | 0.487 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -60 | -35.6 | 174.5 | -73.4 | 171.9 | -176.9 | 174.3 | 0 | 112.2 | D367 E369 T373 D374 R377 | D367-K371 WeakPolarHBondContact O-CB 3.37Å; D367-K371 VanDerWaalsContact O-CG 3.26Å; D367-K371 WeakPolarHBondContact O-CG 3.49Å; D367-K371 PolarHBondContact O-N 2.99Å; E369-K371 VanDerWaalsContact C-N 3.32Å; E369-K371 PolarHBondContact O-N 2.94Å; K371-T373 VanDerWaalsContact C-N 3.32Å; K371-T373 PolarHBondContact O-N 2.9Å; K371-D374 PolarHBondContact O-N 3.3Å; K371-R377 WeakPolarHBondContact O-CD 3.34Å |
| 372 | A | 79.1 | Confident | 77.9 | Confident | 28 Ų | 28 | 81.2 Ų | 81.2 | 23% | 0.231 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -69.7 | -27.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | L368 E369 K370 | L368-A372 WeakPolarHBondContact O-CB 3.39Å; L368-A372 PolarHBondContact O-N 3.34Å; E369-A372 WeakPolarHBondContact O-CB 3.46Å; E369-A372 PolarHBondContact O-N 3.36Å; K370-A372 VanDerWaalsContact C-N 3.26Å; K370-A372 PolarHBondContact O-N 3.15Å |
| 373 | T | 75.2 | Confident | 76.9 | Confident | 58 Ų | 58 | 83.2 Ų | 83.2 | 36% | 0.356 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -83.3 | -17.4 | 177.6 | -72.1 | 0 | 0 | 0 | 0 | 113.3 | E369 K370 K371 P375 E446 | E369-T373 PolarHBondContact O-N 2.9Å; E369-T373 VanDerWaalsContact O-N 3.12Å; K370-T373 PolarHBondContact O-N 3.25Å; K370-T373 VanDerWaalsContact O-N 3.16Å; K371-T373 VanDerWaalsContact C-N 3.32Å; K371-T373 PolarHBondContact O-N 2.9Å; T373-P375 WeakPolarHBondContact O-CD 3.34Å; T373-E446 WeakPolarHBondContact CG2-OE1 3.38Å; T373-E446 PolarHBondContact OG1-OE1 2.88Å |
| 374 | D | 76.3 | Confident | 76.3 | Confident | 70 Ų | 70 | 80.1 Ų | 80.1 | 37% | 0.374 | 44% | 0.441 | S | S | . | . | trans | -69.5 | 120.6 | -178.3 | -169.9 | -20.4 | 0 | 0 | 0 | 112.8 | K370 K371 T376 R377 | K370-D374 PolarHBondContact O-N 2.83Å; K371-D374 PolarHBondContact O-N 3.3Å; D374-T376 PolarHBondContact O-N 3.45Å; D374-T376 WeakPolarHBondContact OD1-CB 3.48Å; D374-T376 PolarHBondContact OD1-N 2.89Å; D374-T376 PolarHBondContact OD1-OG1 2.96Å; D374-T376 PolarHBondContact OD2-OG1 3.32Å; D374-T376 VanDerWaalsContact OD2-OG1 3.08Å; D374-R377 WeakPolarHBondContact O-CB 3.5Å; D374-R377 PolarHBondContact O-N 3.41Å | ||
| 375 | P | 72.3 | Confident | 75.6 | Confident | 111 Ų | 111 | 79.5 Ų | 79.5 | 72% | 0.721 | 44% | 0.437 | S | S | * | . | G | 310 helix | trans | -61.6 | -26.2 | 176.4 | -22.7 | 34.2 | 0 | 0 | 0 | 114.5 | T373 R377 | T373-P375 WeakPolarHBondContact O-CD 3.34Å; P375-R377 PolarHBondContact O-N 3.33Å |
| 376 | T | 72.4 | Confident | 75.2 | Confident | 94 Ų | 94 | 85.7 Ų | 85.7 | 58% | 0.577 | 47% | 0.47 | S | S | * | . | G | 310 helix | trans | -75.4 | -9.9 | -179.6 | 68.5 | 0 | 0 | 0 | 0 | 113.1 | D374 F378 A379 | D374-T376 PolarHBondContact O-N 3.45Å; D374-T376 WeakPolarHBondContact OD1-CB 3.48Å; D374-T376 PolarHBondContact OD1-N 2.89Å; D374-T376 PolarHBondContact OD1-OG1 2.96Å; D374-T376 PolarHBondContact OD2-OG1 3.32Å; D374-T376 VanDerWaalsContact OD2-OG1 3.08Å; T376-F378 PolarHBondContact O-N 2.88Å; T376-F378 VanDerWaalsContact O-N 3.09Å; T376-A379 WeakPolarHBondContact O-CB 3.35Å; T376-A379 PolarHBondContact O-N 3.35Å; T376-A379 VanDerWaalsContact O-N 3.08Å |
| 377 | R | 70.6 | Confident | 74.9 | Confident | 31 Ų | 31 | 89.8 Ų | 89.8 | 12% | 0.117 | 49% | 0.486 | C | S | . | . | G | 310 helix | trans | -55.5 | -29 | -178.7 | -169.6 | -167.7 | -172.5 | -145.8 | -10.7 | 114.3 | K371 D374 P375 A379 L385 E388 | K371-R377 WeakPolarHBondContact O-CD 3.34Å; D374-R377 WeakPolarHBondContact O-CB 3.5Å; D374-R377 PolarHBondContact O-N 3.41Å; P375-R377 PolarHBondContact O-N 3.33Å; R377-A379 VanDerWaalsContact C-N 3.27Å; R377-A379 PolarHBondContact O-N 2.93Å; R377-L385 VanDerWaalsContact CD-CD1 3.5Å; R377-L385 HydrophobicContact CG-CD1 3.66Å; R377-E388 IonicContact CZ-OE2 2.8Å; R377-E388 IonicContact NE-OE2 3.95Å; R377-E388 PolarHBondContact NE-OE2 2.98Å; R377-E388 IonicContact NH2-OE2 2.88Å; R377-E388 PolarHBondContact NH2-OE2 3.1Å |
| 378 | F | 69.1 | Low | 74.7 | Confident | 163 Ų | 163 | 87.6 Ų | 87.6 | 72% | 0.715 | 47% | 0.473 | S | S | * | . | G | 310 helix | trans | -76.9 | -6.6 | -178.8 | -62.9 | -75.6 | 0 | 0 | 0 | 114.5 | T376 N380 | T376-F378 PolarHBondContact O-N 2.88Å; T376-F378 VanDerWaalsContact O-N 3.09Å; F378-N380 PolarHBondContact O-N 3.45Å |
| 379 | A | 67.6 | Low | 74.5 | Confident | 84 Ų | 84 | 90.9 Ų | 90.9 | 69% | 0.694 | 49% | 0.489 | S | S | * | . | G | 310 helix | trans | -72.9 | -14.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | T376 R377 R381 | T376-A379 WeakPolarHBondContact O-CB 3.35Å; T376-A379 PolarHBondContact O-N 3.35Å; T376-A379 VanDerWaalsContact O-N 3.08Å; R377-A379 VanDerWaalsContact C-N 3.27Å; R377-A379 PolarHBondContact O-N 2.93Å; A379-R381 PolarHBondContact O-N 3.03Å |
| 380 | N | 60.9 | Low | 74.5 | Confident | 105 Ų | 105 | 97.4 Ų | 97.4 | 56% | 0.561 | 52% | 0.517 | S | S | * | . | trans | -85.9 | 100.8 | -175.9 | -64.3 | -38.5 | 0 | 0 | 0 | 111.7 | F378 | F378-N380 PolarHBondContact O-N 3.45Š| ||
| 381 | R | 58.7 | Low | 74.5 | Confident | 258 Ų | 258 | 95.1 Ų | 95.1 | 97% | 0.974 | 51% | 0.508 | S | S | * | . | trans | -77 | 129.1 | 169 | -81 | 178.5 | 169.7 | 172.2 | -2.6 | 110.1 | A379 | A379-R381 PolarHBondContact O-N 3.03Š| ||
| 382 | G | 63.7 | Low | 74.7 | Confident | 70 Ų | 70 | 91.9 Ų | 91.9 | 72% | 0.722 | 49% | 0.493 | S | S | * | . | S | Bend | trans | 134.9 | 27.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | N384 | G382-N384 PolarHBondContact O-N 3.33Å; G382-N384 VanDerWaalsContact O-N 3.16Å |
| 383 | G | 69.9 | Low | 74.9 | Confident | 48 Ų | 48 | 92.4 Ų | 92.4 | 50% | 0.495 | 50% | 0.495 | S | S | . | . | S | Bend | trans | 73.4 | 5.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | L385 L386 K387 | G383-L385 VanDerWaalsContact C-N 3.32Å; G383-L385 PolarHBondContact O-N 2.7Å; G383-L386 PolarHBondContact O-N 2.71Å; G383-K387 PolarHBondContact O-N 2.71Å |
| 384 | N | 77 | Confident | 75.5 | Confident | 78 Ų | 78 | 94.6 Ų | 94.6 | 42% | 0.417 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.8 | -37.3 | 178 | -152.5 | 46.4 | 0 | 0 | 0 | 112.2 | G382 L386 K387 E388 | G382-N384 PolarHBondContact O-N 3.33Å; G382-N384 VanDerWaalsContact O-N 3.16Å; N384-L386 VanDerWaalsContact C-N 3.27Å; N384-L386 PolarHBondContact O-N 2.86Å; N384-K387 WeakPolarHBondContact O-CB 3.43Å; N384-K387 PolarHBondContact O-N 3.41Å; N384-K387 VanDerWaalsContact O-N 3.08Å; N384-E388 PolarHBondContact ND2-OE1 3.2Å; N384-E388 WeakPolarHBondContact O-CG 3.24Å; N384-E388 PolarHBondContact O-N 3.4Å |
| 385 | L | 76 | Confident | 76.1 | Confident | 70 Ų | 70 | 92.3 Ų | 92.3 | 37% | 0.366 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -54.2 | -43 | 175.9 | -158.9 | 83.5 | 0 | 0 | 0 | 112.7 | R377 G383 E389 | R377-L385 VanDerWaalsContact CD-CD1 3.5Å; R377-L385 HydrophobicContact CG-CD1 3.66Å; G383-L385 VanDerWaalsContact C-N 3.32Å; G383-L385 PolarHBondContact O-N 2.7Å; L385-E389 WeakPolarHBondContact O-CB 3.35Å; L385-E389 PolarHBondContact O-N 3.2Å |
| 386 | L | 78.4 | Confident | 76.7 | Confident | 135 Ų | 135 | 91.8 Ų | 91.8 | 71% | 0.707 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -73.5 | -34.1 | -179.2 | -171.7 | 66.5 | 0 | 0 | 0 | 111.1 | G383 N384 K390 | G383-L386 PolarHBondContact O-N 2.71Å; N384-L386 VanDerWaalsContact C-N 3.27Å; N384-L386 PolarHBondContact O-N 2.86Å; L386-K390 WeakPolarHBondContact O-CB 3.39Å; L386-K390 PolarHBondContact O-N 3.48Å |
| 387 | K | 80.6 | Confident | 77.4 | Confident | 133 Ų | 133 | 93.4 Ų | 93.4 | 58% | 0.578 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -67.9 | -45.5 | 174.3 | -67.9 | 179.6 | -179.1 | 178.6 | 0 | 111.3 | G383 N384 K390 Q391 | G383-K387 PolarHBondContact O-N 2.71Å; N384-K387 WeakPolarHBondContact O-CB 3.43Å; N384-K387 PolarHBondContact O-N 3.41Å; N384-K387 VanDerWaalsContact O-N 3.08Å; K387-K390 PolarHBondContact O-N 3.37Å; K387-Q391 WeakPolarHBondContact O-CB 3.36Å; K387-Q391 VanDerWaalsContact O-CG 3.28Å; K387-Q391 WeakPolarHBondContact O-CG 3.29Å; K387-Q391 PolarHBondContact O-N 3.02Å |
| 388 | E | 83.9 | Confident | 78.2 | Confident | 22 Ų | 22 | 95 Ų | 95 | 10% | 0.103 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -59.2 | -47.5 | 174.5 | -72.2 | 168.8 | -169.9 | 0 | 0 | 111.5 | L368 R377 N384 K390 Q391 R392 | L368-E388 HydrophobicContact CD2-CB 4.14Å; L368-E388 HydrophobicContact CD2-CG 4.08Å; R377-E388 IonicContact CZ-OE2 2.8Å; R377-E388 IonicContact NE-OE2 3.95Å; R377-E388 PolarHBondContact NE-OE2 2.98Å; R377-E388 IonicContact NH2-OE2 2.88Å; R377-E388 PolarHBondContact NH2-OE2 3.1Å; N384-E388 PolarHBondContact ND2-OE1 3.2Å; N384-E388 WeakPolarHBondContact O-CG 3.24Å; N384-E388 PolarHBondContact O-N 3.4Å; E388-K390 PolarHBondContact O-N 2.87Å; E388-Q391 PolarHBondContact O-N 3.31Å; E388-R392 WeakPolarHBondContact O-CB 3.42Å; E388-R392 PolarHBondContact O-N 3.46Å |
| 389 | E | 81.8 | Confident | 79.2 | Confident | 80 Ų | 80 | 87.3 Ų | 87.3 | 37% | 0.374 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -66.9 | -38.1 | 179.1 | -168.4 | 61.9 | -146.2 | 0 | 0 | 111.6 | L385 R392 S393 | L385-E389 WeakPolarHBondContact O-CB 3.35Å; L385-E389 PolarHBondContact O-N 3.2Å; E389-R392 PolarHBondContact O-N 3.46Å; E389-R392 IonicContact OE1-NH1 3.3Å; E389-R392 IonicContact OE2-NH1 3.82Å; E389-S393 WeakPolarHBondContact O-CB 3.36Å; E389-S393 PolarHBondContact O-N 3.28Å |
| 390 | K | 85.4 | Confident | 80.2 | Confident | 148 Ų | 148 | 86.1 Ų | 86.1 | 64% | 0.643 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -62.4 | -47.6 | 173.7 | -175.6 | -178.1 | 177.4 | -174 | 0 | 111.1 | L386 K387 E388 S393 E394 | L386-K390 WeakPolarHBondContact O-CB 3.39Å; L386-K390 PolarHBondContact O-N 3.48Å; K387-K390 PolarHBondContact O-N 3.37Å; E388-K390 PolarHBondContact O-N 2.87Å; K390-S393 PolarHBondContact O-N 3.16Å; K390-E394 VanDerWaalsContact O-CB 3.31Å; K390-E394 WeakPolarHBondContact O-CB 3.43Å; K390-E394 PolarHBondContact O-N 3.08Å |
| 391 | Q | 84.1 | Confident | 81.5 | Confident | 99 Ų | 99 | 87.5 Ų | 87.5 | 46% | 0.463 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62.5 | -41.7 | 176.9 | -76.4 | 175.6 | -23.6 | 0 | 0 | 111.5 | L368 K387 E388 E394 L395 | L368-Q391 HydrophobicContact CD1-CB 4.1Å; K387-Q391 WeakPolarHBondContact O-CB 3.36Å; K387-Q391 VanDerWaalsContact O-CG 3.28Å; K387-Q391 WeakPolarHBondContact O-CG 3.29Å; K387-Q391 PolarHBondContact O-N 3.02Å; E388-Q391 PolarHBondContact O-N 3.31Å; Q391-E394 PolarHBondContact O-N 2.86Å; Q391-L395 WeakPolarHBondContact O-CB 3.32Å; Q391-L395 WeakPolarHBondContact O-CG 3.46Å; Q391-L395 PolarHBondContact O-N 3.34Å |
| 392 | R | 85.6 | Confident | 82.9 | Confident | 44 Ų | 44 | 76.7 Ų | 76.7 | 17% | 0.166 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -62.4 | -47.2 | 174.9 | -175.7 | -174.9 | 173.2 | -154.8 | 2.2 | 111.9 | Y365 L368 E369 E388 E389 E394 L395 Q396 | Y365-R392 HydrophobicContact CD2-CG 4.1Å; Y365-R392 HydrophobicContact CE2-CG 3.76Å; L368-R392 HydrophobicContact CB-CB 4.48Å; L368-R392 HydrophobicContact CD1-CB 4.28Å; E369-R392 VanDerWaalsContact CD-NH2 3.32Å; E369-R392 IonicContact OE1-CZ 3.55Å; E369-R392 IonicContact OE1-NE 3.05Å; E369-R392 IonicContact OE1-NH2 3.18Å; E369-R392 PolarHBondContact OE1-NH2 2.88Å; E369-R392 IonicContact OE2-NH2 3.01Å; E388-R392 WeakPolarHBondContact O-CB 3.42Å; E388-R392 PolarHBondContact O-N 3.46Å; E389-R392 PolarHBondContact O-N 3.46Å; E389-R392 IonicContact OE1-NH1 3.3Å; E389-R392 IonicContact OE2-NH1 3.82Å; R392-E394 VanDerWaalsContact C-N 3.26Å; R392-E394 PolarHBondContact O-N 2.86Å; R392-L395 PolarHBondContact O-N 2.57Å; R392-Q396 WeakPolarHBondContact O-CB 3.31Å; R392-Q396 PolarHBondContact O-N 3.34Å |
| 393 | S | 84.4 | Confident | 84.2 | Confident | 39 Ų | 39 | 75 Ų | 75 | 27% | 0.273 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.6 | -34 | 177.1 | -172.6 | 0 | 0 | 0 | 0 | 112.1 | E389 K390 K397 | E389-S393 WeakPolarHBondContact O-CB 3.36Å; E389-S393 PolarHBondContact O-N 3.28Å; K390-S393 PolarHBondContact O-N 3.16Å; S393-K397 VanDerWaalsContact O-CG 3.3Å; S393-K397 WeakPolarHBondContact O-CG 3.42Å; S393-K397 PolarHBondContact O-N 3.33Å |
| 394 | E | 87.1 | Confident | 85.1 | Confident | 104 Ų | 104 | 80.9 Ų | 80.9 | 49% | 0.486 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -69.1 | -46.3 | 174.6 | -177 | 165 | -165.5 | 0 | 0 | 111.7 | K390 Q391 R392 Q396 K397 N398 | K390-E394 VanDerWaalsContact O-CB 3.31Å; K390-E394 WeakPolarHBondContact O-CB 3.43Å; K390-E394 PolarHBondContact O-N 3.08Å; Q391-E394 PolarHBondContact O-N 2.86Å; R392-E394 VanDerWaalsContact C-N 3.26Å; R392-E394 PolarHBondContact O-N 2.86Å; E394-Q396 PolarHBondContact O-N 2.74Å; E394-K397 PolarHBondContact O-N 3.03Å; E394-K397 VanDerWaalsContact O-N 3.16Å; E394-N398 VanDerWaalsContact CG-ND2 3.32Å; E394-N398 WeakPolarHBondContact CG-ND2 3.46Å; E394-N398 VanDerWaalsContact O-CB 3.27Å; E394-N398 WeakPolarHBondContact O-CB 3.29Å; E394-N398 PolarHBondContact O-N 3.48Å; E394-N398 PolarHBondContact O-ND2 3Å |
| 395 | L | 88 | Confident | 85.7 | Confident | 22 Ų | 22 | 82.9 Ų | 82.9 | 12% | 0.115 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -61.2 | -42.9 | 173.5 | -72.2 | 169.9 | 0 | 0 | 0 | 111.8 | L364 Y365 L368 Q391 R392 K397 N398 L399 | L364-L395 HydrophobicContact CB-CD1 4.32Å; L364-L395 HydrophobicContact CD2-CD1 3.9Å; L364-L395 HydrophobicContact CG-CD1 3.85Å; Y365-L395 HydrophobicContact CD2-CB 4.06Å; L368-L395 HydrophobicContact CD1-CD1 3.87Å; Q391-L395 WeakPolarHBondContact O-CB 3.32Å; Q391-L395 WeakPolarHBondContact O-CG 3.46Å; Q391-L395 PolarHBondContact O-N 3.34Å; R392-L395 PolarHBondContact O-N 2.57Å; L395-K397 PolarHBondContact O-N 3.3Å; L395-N398 PolarHBondContact O-N 3.45Å; L395-N398 VanDerWaalsContact O-N 3.11Å; L395-L399 HydrophobicContact CB-CD1 4.48Å; L395-L399 VanDerWaalsContact O-CB 3.31Å; L395-L399 WeakPolarHBondContact O-CB 3.26Å; L395-L399 WeakPolarHBondContact O-CG 3.43Å; L395-L399 PolarHBondContact O-N 2.73Å |
| 396 | Q | 85.5 | Confident | 86.3 | Confident | 101 Ų | 101 | 79.5 Ų | 79.5 | 47% | 0.472 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -60.5 | -28.9 | 176.4 | -165.8 | 179.4 | 14.1 | 0 | 0 | 112.7 | Y365 R392 E394 P400 | Y365-Q396 HydrophobicContact CE2-CB 4.03Å; Y365-Q396 HydrophobicContact CE2-CG 4.43Å; R392-Q396 WeakPolarHBondContact O-CB 3.31Å; R392-Q396 PolarHBondContact O-N 3.34Å; E394-Q396 PolarHBondContact O-N 2.74Å; Q396-P400 WeakPolarHBondContact O-CD 3.47Å; Q396-P400 WeakPolarHBondContact O-CG 3.41Å |
| 397 | K | 87.2 | Confident | 86.9 | Confident | 128 Ų | 128 | 77.3 Ų | 77.3 | 56% | 0.557 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -87.8 | -30.7 | 175 | -70.3 | 169.6 | -173.4 | 169.4 | 0 | 112.9 | S393 E394 L395 K401 | S393-K397 VanDerWaalsContact O-CG 3.3Å; S393-K397 WeakPolarHBondContact O-CG 3.42Å; S393-K397 PolarHBondContact O-N 3.33Å; E394-K397 PolarHBondContact O-N 3.03Å; E394-K397 VanDerWaalsContact O-N 3.16Å; L395-K397 PolarHBondContact O-N 3.3Å; K397-K401 WeakPolarHBondContact O-CD 3Å; K397-K401 WeakPolarHBondContact O-CG 3.32Å |
| 398 | N | 87.7 | Confident | 87.3 | Confident | 65 Ų | 65 | 74 Ų | 74 | 35% | 0.348 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -87.7 | -31.7 | -174.3 | -71.4 | -15.5 | 0 | 0 | 0 | 112.7 | E394 L395 K401 L402 | E394-N398 VanDerWaalsContact CG-ND2 3.32Å; E394-N398 WeakPolarHBondContact CG-ND2 3.46Å; E394-N398 VanDerWaalsContact O-CB 3.27Å; E394-N398 WeakPolarHBondContact O-CB 3.29Å; E394-N398 PolarHBondContact O-N 3.48Å; E394-N398 PolarHBondContact O-ND2 3Å; L395-N398 PolarHBondContact O-N 3.45Å; L395-N398 VanDerWaalsContact O-N 3.11Å; N398-K401 WeakPolarHBondContact O-CB 3.49Å; N398-K401 PolarHBondContact O-N 2.97Å; N398-L402 WeakPolarHBondContact O-CB 3.47Å; N398-L402 PolarHBondContact O-N 2.89Å |
| 399 | L | 89.1 | Confident | 87.5 | Confident | 1 Ų | 1 | 74.9 Ų | 74.9 | 1% | 0.005 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -57.4 | -53.6 | 175.5 | -82.6 | 161.8 | 0 | 0 | 0 | 111.7 | W358 W362 Y365 L395 K401 L402 E403 W436 | W358-L399 HydrophobicContact CG-CD2 4.34Å; W362-L399 HydrophobicContact CB-CD2 4.32Å; W362-L399 HydrophobicContact CE3-CD1 3.87Å; W362-L399 HydrophobicContact CE3-CD2 4.48Å; W362-L399 HydrophobicContact CZ3-CD1 4.38Å; Y365-L399 HydrophobicContact CD2-CD1 4.35Å; Y365-L399 HydrophobicContact CG-CD1 4.07Å; L395-L399 HydrophobicContact CB-CD1 4.48Å; L395-L399 VanDerWaalsContact O-CB 3.31Å; L395-L399 WeakPolarHBondContact O-CB 3.26Å; L395-L399 WeakPolarHBondContact O-CG 3.43Å; L395-L399 PolarHBondContact O-N 2.73Å; L399-K401 VanDerWaalsContact C-N 3.25Å; L399-K401 PolarHBondContact O-N 3.38Å; L399-L402 WeakPolarHBondContact O-CB 3.41Å; L399-L402 PolarHBondContact O-N 3.41Å; L399-L402 VanDerWaalsContact O-N 3.07Å; L399-E403 VanDerWaalsContact O-CG 3.28Å; L399-E403 WeakPolarHBondContact O-CG 3.38Å; L399-E403 PolarHBondContact O-N 3.37Å; L399-W436 HydrophobicContact CB-CZ2 4.29Å; L399-W436 HydrophobicContact CD1-CZ2 4.44Å |
| 400 | P | 88.9 | Confident | 87.8 | Confident | 58 Ų | 58 | 71.2 Ų | 71.2 | 38% | 0.377 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.2 | -29 | 176.1 | -25.2 | 35 | 0 | 0 | 0 | 114.3 | Q396 K404 | Q396-P400 WeakPolarHBondContact O-CD 3.47Å; Q396-P400 WeakPolarHBondContact O-CG 3.41Å; P400-K404 WeakPolarHBondContact O-CB 3.26Å; P400-K404 PolarHBondContact O-N 2.87Å |
| 401 | K | 87.8 | Confident | 87.9 | Confident | 135 Ų | 135 | 66.8 Ų | 66.8 | 59% | 0.587 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -71.7 | -40.5 | 175.2 | -68.5 | 174.5 | -172.1 | 173 | 0 | 111.3 | K397 N398 L399 K404 K405 | K397-K401 WeakPolarHBondContact O-CD 3Å; K397-K401 WeakPolarHBondContact O-CG 3.32Å; N398-K401 WeakPolarHBondContact O-CB 3.49Å; N398-K401 PolarHBondContact O-N 2.97Å; L399-K401 VanDerWaalsContact C-N 3.25Å; L399-K401 PolarHBondContact O-N 3.38Å; K401-K404 PolarHBondContact O-N 2.98Å; K401-K405 PolarHBondContact O-N 3.09Å |
| 402 | L | 88.8 | Confident | 88.1 | Confident | 31 Ų | 31 | 64.2 Ų | 64.2 | 16% | 0.162 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -67 | -43.2 | 176.2 | -173.4 | 62.3 | 0 | 0 | 0 | 110.3 | K357 W358 N398 L399 K404 K405 L406 | K357-L402 HydrophobicContact CB-CD2 4.49Å; K357-L402 HydrophobicContact CG-CD2 4.2Å; W358-L402 HydrophobicContact CB-CD2 3.73Å; W358-L402 HydrophobicContact CB-CG 4.36Å; W358-L402 HydrophobicContact CG-CD2 4.42Å; N398-L402 WeakPolarHBondContact O-CB 3.47Å; N398-L402 PolarHBondContact O-N 2.89Å; L399-L402 WeakPolarHBondContact O-CB 3.41Å; L399-L402 PolarHBondContact O-N 3.41Å; L399-L402 VanDerWaalsContact O-N 3.07Å; L402-K404 PolarHBondContact O-N 3.1Å; L402-K405 WeakPolarHBondContact O-CB 3.39Å; L402-K405 PolarHBondContact O-N 3.46Å; L402-L406 HydrophobicContact CD1-CD1 4.49Å; L402-L406 HydrophobicContact CG-CD1 4.03Å; L402-L406 HydrophobicContact CG-CG 4.5Å; L402-L406 WeakPolarHBondContact O-CB 3.32Å; L402-L406 WeakPolarHBondContact O-CG 3.43Å; L402-L406 PolarHBondContact O-N 2.95Å |
| 403 | E | 90.1 | Very high | 88.2 | Confident | 34 Ų | 34 | 63.6 Ų | 63.6 | 16% | 0.159 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -58.5 | -45.4 | 173.5 | -70.3 | 164.7 | -160.4 | 0 | 0 | 111.9 | W358 L399 K405 L406 K407 V432 W436 | W358-E403 PolarHBondContact NE1-OE1 3.46Å; L399-E403 VanDerWaalsContact O-CG 3.28Å; L399-E403 WeakPolarHBondContact O-CG 3.38Å; L399-E403 PolarHBondContact O-N 3.37Å; E403-K405 VanDerWaalsContact C-N 3.33Å; E403-K405 PolarHBondContact O-N 3.25Å; E403-L406 PolarHBondContact O-N 3.42Å; E403-K407 VanDerWaalsContact O-CB 3.28Å; E403-K407 WeakPolarHBondContact O-CB 3.42Å; E403-K407 PolarHBondContact O-N 3.26Å; E403-V432 HydrophobicContact CG-CG1 3.89Å; E403-W436 PolarHBondContact OE1-NE1 3.44Å |
| 404 | K | 89.2 | Confident | 88.4 | Confident | 172 Ų | 172 | 64 Ų | 64 | 75% | 0.748 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -64.5 | -38 | 176.7 | -172.2 | 176.1 | -179.6 | 178.6 | 0 | 112.3 | P400 K401 L402 A408 | P400-K404 WeakPolarHBondContact O-CB 3.26Å; P400-K404 PolarHBondContact O-N 2.87Å; K401-K404 PolarHBondContact O-N 2.98Å; L402-K404 PolarHBondContact O-N 3.1Å; K404-A408 PolarHBondContact O-N 3.07Å |
| 405 | K | 89.3 | Confident | 88.4 | Confident | 119 Ų | 119 | 65.9 Ų | 65.9 | 52% | 0.517 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -65.5 | -49.9 | 175.2 | -174.1 | -168.8 | 173.1 | -165 | 0 | 110.5 | K401 L402 E403 K407 A408 Q409 | K401-K405 PolarHBondContact O-N 3.09Å; L402-K405 WeakPolarHBondContact O-CB 3.39Å; L402-K405 PolarHBondContact O-N 3.46Å; E403-K405 VanDerWaalsContact C-N 3.33Å; E403-K405 PolarHBondContact O-N 3.25Å; K405-K407 VanDerWaalsContact C-N 3.32Å; K405-K407 PolarHBondContact O-N 3.48Å; K405-A408 PolarHBondContact O-N 3.47Å; K405-Q409 WeakPolarHBondContact O-CG 3.4Å; K405-Q409 PolarHBondContact O-N 2.96Å |
| 406 | L | 89.9 | Confident | 88.3 | Confident | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -60.9 | -42.2 | 178.6 | -75.3 | 170.2 | 0 | 0 | 0 | 111.2 | G354 W358 L402 E403 A408 Q409 I410 F428 | G354-L406 WeakPolarHBondContact O-CD1 3.15Å; W358-L406 HydrophobicContact CB-CD1 3.88Å; W358-L406 HydrophobicContact CG-CD1 4.43Å; L402-L406 HydrophobicContact CD1-CD1 4.49Å; L402-L406 HydrophobicContact CG-CD1 4.03Å; L402-L406 HydrophobicContact CG-CG 4.5Å; L402-L406 WeakPolarHBondContact O-CB 3.32Å; L402-L406 WeakPolarHBondContact O-CG 3.43Å; L402-L406 PolarHBondContact O-N 2.95Å; E403-L406 PolarHBondContact O-N 3.42Å; L406-A408 VanDerWaalsContact C-N 3.33Å; L406-A408 PolarHBondContact O-N 2.97Å; L406-Q409 PolarHBondContact O-N 3.19Å; L406-Q409 VanDerWaalsContact O-N 3.16Å; L406-I410 HydrophobicContact CB-CD1 4.47Å; L406-I410 WeakPolarHBondContact O-CB 3.45Å; L406-I410 VanDerWaalsContact O-CG1 3.23Å; L406-I410 WeakPolarHBondContact O-CG1 3.47Å; L406-I410 PolarHBondContact O-N 2.99Å; L406-F428 HydrophobicContact CB-CE1 4.23Å; L406-F428 HydrophobicContact CD1-CE1 3.7Å; L406-F428 HydrophobicContact CD1-CZ 3.93Å |
| 407 | K | 90 | Very high | 88.2 | Confident | 88 Ų | 88 | 71.9 Ų | 71.9 | 38% | 0.383 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -55.2 | -48.1 | 173.7 | 176.5 | 160.2 | -179.4 | 47.5 | 0 | 111.9 | E403 K405 Q409 I410 D411 L429 | E403-K407 VanDerWaalsContact O-CB 3.28Å; E403-K407 WeakPolarHBondContact O-CB 3.42Å; E403-K407 PolarHBondContact O-N 3.26Å; K405-K407 VanDerWaalsContact C-N 3.32Å; K405-K407 PolarHBondContact O-N 3.48Å; K407-Q409 VanDerWaalsContact C-N 3.31Å; K407-Q409 PolarHBondContact O-N 2.89Å; K407-I410 PolarHBondContact O-N 2.84Å; K407-D411 WeakPolarHBondContact CE-OD2 2.93Å; K407-D411 WeakPolarHBondContact CG-OD2 3.48Å; K407-D411 VanDerWaalsContact NZ-CG 3.27Å; K407-D411 IonicContact NZ-OD1 3.59Å; K407-D411 PolarHBondContact NZ-OD1 3.42Å; K407-D411 IonicContact NZ-OD2 2.78Å; K407-D411 PolarHBondContact NZ-OD2 3.16Å; K407-D411 WeakPolarHBondContact O-CB 3.48Å; K407-D411 PolarHBondContact O-N 3.46Å; K407-L429 HydrophobicContact CB-CD1 4.3Å; K407-L429 HydrophobicContact CB-CD2 4.01Å; K407-L429 HydrophobicContact CD-CD1 3.91Å; K407-L429 HydrophobicContact CG-CD1 3.92Å; K407-L429 HydrophobicContact CG-CD2 4.5Å |
| 408 | A | 89.2 | Confident | 87.8 | Confident | 63 Ų | 63 | 69 Ų | 69 | 52% | 0.521 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64.9 | -35.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | K404 K405 L406 A412 | K404-A408 PolarHBondContact O-N 3.07Å; K405-A408 PolarHBondContact O-N 3.47Å; L406-A408 VanDerWaalsContact C-N 3.33Å; L406-A408 PolarHBondContact O-N 2.97Å; A408-A412 WeakPolarHBondContact O-CB 3.26Å; A408-A412 PolarHBondContact O-N 3.16Å |
| 409 | Q | 87.6 | Confident | 87.4 | Confident | 41 Ų | 41 | 75.3 Ų | 75.3 | 19% | 0.192 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -72.2 | -39.6 | 176.6 | -67 | 179.3 | -66.2 | 0 | 0 | 111.8 | E350 L351 K405 L406 K407 W413 | E350-Q409 PolarHBondContact OE2-NE2 2.89Å; L351-Q409 HydrophobicContact CD2-CB 3.47Å; L351-Q409 VanDerWaalsContact CD2-CB 3.47Å; L351-Q409 HydrophobicContact CG-CB 4.4Å; K405-Q409 WeakPolarHBondContact O-CG 3.4Å; K405-Q409 PolarHBondContact O-N 2.96Å; L406-Q409 PolarHBondContact O-N 3.19Å; L406-Q409 VanDerWaalsContact O-N 3.16Å; K407-Q409 VanDerWaalsContact C-N 3.31Å; K407-Q409 PolarHBondContact O-N 2.89Å; Q409-W413 WeakPolarHBondContact O-CB 3.41Å; Q409-W413 PolarHBondContact O-N 3.18Å |
| 410 | I | 88.9 | Confident | 87.1 | Confident | 3 Ų | 3 | 81 Ų | 81 | 2% | 0.015 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -67.1 | -47.9 | 177 | -69.7 | 165.9 | 0 | 0 | 0 | 110.2 | L351 L406 K407 A412 W413 E414 F421 F428 | L351-I410 HydrophobicContact CD2-CG1 3.79Å; L406-I410 HydrophobicContact CB-CD1 4.47Å; L406-I410 WeakPolarHBondContact O-CB 3.45Å; L406-I410 VanDerWaalsContact O-CG1 3.23Å; L406-I410 WeakPolarHBondContact O-CG1 3.47Å; L406-I410 PolarHBondContact O-N 2.99Å; K407-I410 PolarHBondContact O-N 2.84Å; I410-A412 VanDerWaalsContact C-N 3.28Å; I410-A412 PolarHBondContact O-N 3.4Å; I410-W413 CarbonylContact O-C 3.59Å; I410-W413 WeakPolarHBondContact O-CA 3.08Å; I410-W413 WeakPolarHBondContact O-CB 3.41Å; I410-W413 PolarHBondContact O-N 2.87Å; I410-E414 HydrophobicContact CG2-CG 4.04Å; I410-E414 WeakPolarHBondContact O-CG 3.27Å; I410-E414 PolarHBondContact O-N 3.26Å; I410-F421 HydrophobicContact CD1-CD1 3.81Å; I410-F421 HydrophobicContact CD1-CE1 4.14Å; I410-F421 HydrophobicContact CG1-CD1 3.87Å; I410-F421 HydrophobicContact CG1-CE1 4.3Å; I410-F421 HydrophobicContact CG1-CG 4.28Å; I410-F421 HydrophobicContact CG2-CB 3.69Å; I410-F421 HydrophobicContact CG2-CD1 4.32Å; I410-F421 HydrophobicContact CG2-CG 4.26Å; I410-F428 HydrophobicContact CD1-CB 4.18Å; I410-F428 HydrophobicContact CD1-CD1 3.57Å; I410-F428 HydrophobicContact CD1-CE1 4.42Å; I410-F428 HydrophobicContact CD1-CG 4.25Å |
| 411 | D | 87.9 | Confident | 86.9 | Confident | 56 Ų | 56 | 78.6 Ų | 78.6 | 30% | 0.299 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -58.1 | -42.9 | 179.5 | -65.5 | -16.8 | 0 | 0 | 0 | 110.5 | K407 W413 E414 D415 | K407-D411 WeakPolarHBondContact CE-OD2 2.93Å; K407-D411 WeakPolarHBondContact CG-OD2 3.48Å; K407-D411 VanDerWaalsContact NZ-CG 3.27Å; K407-D411 IonicContact NZ-OD1 3.59Å; K407-D411 PolarHBondContact NZ-OD1 3.42Å; K407-D411 IonicContact NZ-OD2 2.78Å; K407-D411 PolarHBondContact NZ-OD2 3.16Å; K407-D411 WeakPolarHBondContact O-CB 3.48Å; K407-D411 PolarHBondContact O-N 3.46Å; D411-W413 VanDerWaalsContact C-N 3.35Å; D411-W413 PolarHBondContact O-N 3.35Å; D411-E414 PolarHBondContact O-N 2.95Å; D411-D415 WeakPolarHBondContact O-CB 3.36Å; D411-D415 PolarHBondContact O-N 2.64Å; D411-D415 VanDerWaalsContact O-N 3.08Å |
| 412 | A | 87.9 | Confident | 86.7 | Confident | 45 Ų | 45 | 75 Ų | 75 | 37% | 0.372 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.4 | -38.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | A408 I410 E416 | A408-A412 WeakPolarHBondContact O-CB 3.26Å; A408-A412 PolarHBondContact O-N 3.16Å; I410-A412 VanDerWaalsContact C-N 3.28Å; I410-A412 PolarHBondContact O-N 3.4Å; A412-E416 VanDerWaalsContact O-CG 3.31Å; A412-E416 WeakPolarHBondContact O-CG 3.39Å; A412-E416 PolarHBondContact O-N 2.86Å; A412-E416 VanDerWaalsContact O-N 3.07Å |
| 413 | W | 87.9 | Confident | 86.5 | Confident | 30 Ų | 30 | 74 Ų | 74 | 11% | 0.114 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -69.5 | -42 | 177.5 | 179.9 | 85.7 | 0 | 0 | 0 | 112.7 | H348 L351 Q409 I410 D411 D415 E416 Q417 R419 F421 | H348-W413 AromaticContact CD2-CD1 3.21Å; H348-W413 AromaticContact CD2-NE1 2.89Å; H348-W413 PolarHBondContact CD2-NE1 2.83Å; H348-W413 AromaticContact CE1-NE1 3.72Å; H348-W413 AromaticContact CG-NE1 3.59Å; H348-W413 AromaticContact NE2-CD1 3.55Å; H348-W413 AromaticContact NE2-NE1 2.94Å; H348-W413 PolarHBondContact NE2-NE1 3.31Å; L351-W413 HydrophobicContact CD1-CB 3.76Å; L351-W413 HydrophobicContact CD1-CD2 4.48Å; L351-W413 HydrophobicContact CD1-CG 3.66Å; Q409-W413 WeakPolarHBondContact O-CB 3.41Å; Q409-W413 PolarHBondContact O-N 3.18Å; I410-W413 CarbonylContact O-C 3.59Å; I410-W413 WeakPolarHBondContact O-CA 3.08Å; I410-W413 WeakPolarHBondContact O-CB 3.41Å; I410-W413 PolarHBondContact O-N 2.87Å; D411-W413 VanDerWaalsContact C-N 3.35Å; D411-W413 PolarHBondContact O-N 3.35Å; W413-D415 VanDerWaalsContact C-N 3.29Å; W413-D415 PolarHBondContact O-N 3.02Å; W413-E416 PolarHBondContact O-N 3.41Å; W413-Q417 HydrophobicContact CD2-CB 4.45Å; W413-Q417 HydrophobicContact CD2-CG 4.02Å; W413-Q417 HydrophobicContact CG-CG 4.31Å; W413-Q417 HydrophobicContact CH2-CB 4.4Å; W413-Q417 HydrophobicContact CZ2-CB 4.19Å; W413-Q417 HydrophobicContact CZ2-CG 3.84Å; W413-Q417 WeakPolarHBondContact O-CB 3.39Å; W413-Q417 WeakPolarHBondContact O-CG 3.31Å; W413-Q417 PolarHBondContact O-N 2.96Å; W413-R419 WeakPolarHBondContact CZ3-O 3.42Å; W413-F421 HydrophobicContact CD2-CD2 4.27Å; W413-F421 HydrophobicContact CE3-CB 3.73Å; W413-F421 AromaticContact CE3-CD2 3.98Å; W413-F421 HydrophobicContact CE3-CD2 3.98Å; W413-F421 HydrophobicContact CE3-CG 4.3Å; W413-F421 HydrophobicContact CH2-CD2 4.17Å; W413-F421 HydrophobicContact CZ2-CD2 4.44Å; W413-F421 HydrophobicContact CZ3-CB 3.63Å; W413-F421 AromaticContact CZ3-CD2 3.94Å; W413-F421 HydrophobicContact CZ3-CD2 3.94Å; W413-F421 HydrophobicContact CZ3-CG 4.3Å |
| 414 | E | 89 | Confident | 86 | Confident | 47 Ų | 47 | 77.3 Ų | 77.3 | 22% | 0.22 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -63.8 | -37.1 | 176.7 | -67.8 | -175.9 | 156.8 | 0 | 0 | 110.8 | I410 D411 G418 R419 E420 F421 | I410-E414 HydrophobicContact CG2-CG 4.04Å; I410-E414 WeakPolarHBondContact O-CG 3.27Å; I410-E414 PolarHBondContact O-N 3.26Å; D411-E414 PolarHBondContact O-N 2.95Å; E414-G418 VanDerWaalsContact O-CA 3.3Å; E414-G418 WeakPolarHBondContact O-CA 3.5Å; E414-G418 PolarHBondContact O-N 3.16Å; E414-R419 WeakPolarHBondContact CG-O 3.44Å; E414-E420 WeakPolarHBondContact OE1-CA 3.42Å; E414-F421 HydrophobicContact CG-CB 4.26Å; E414-F421 PolarHBondContact OE1-N 3.03Å |
| 415 | D | 86.8 | Confident | 85.6 | Confident | 145 Ų | 145 | 71.2 Ų | 71.2 | 78% | 0.775 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -65.4 | -38.9 | 173 | -76.6 | -19.5 | 0 | 0 | 0 | 112.3 | D411 W413 | D411-D415 WeakPolarHBondContact O-CB 3.36Å; D411-D415 PolarHBondContact O-N 2.64Å; D411-D415 VanDerWaalsContact O-N 3.08Å; W413-D415 VanDerWaalsContact C-N 3.29Å; W413-D415 PolarHBondContact O-N 3.02Å |
| 416 | E | 86.3 | Confident | 85.3 | Confident | 151 Ų | 151 | 68.1 Ų | 68.1 | 71% | 0.706 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -75.2 | -41.4 | 179.6 | -75.9 | 174.6 | -172 | 0 | 0 | 113.1 | A412 W413 | A412-E416 VanDerWaalsContact O-CG 3.31Å; A412-E416 WeakPolarHBondContact O-CG 3.39Å; A412-E416 PolarHBondContact O-N 2.86Å; A412-E416 VanDerWaalsContact O-N 3.07Å; W413-E416 PolarHBondContact O-N 3.41Å |
| 417 | Q | 82.4 | Confident | 85.1 | Confident | 97 Ų | 97 | 70.3 Ų | 70.3 | 45% | 0.453 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -94.1 | -15.8 | -174.5 | -62 | -60 | -39.7 | 0 | 0 | 113.7 | W413 R419 | W413-Q417 HydrophobicContact CD2-CB 4.45Å; W413-Q417 HydrophobicContact CD2-CG 4.02Å; W413-Q417 HydrophobicContact CG-CG 4.31Å; W413-Q417 HydrophobicContact CH2-CB 4.4Å; W413-Q417 HydrophobicContact CZ2-CB 4.19Å; W413-Q417 HydrophobicContact CZ2-CG 3.84Å; W413-Q417 WeakPolarHBondContact O-CB 3.39Å; W413-Q417 WeakPolarHBondContact O-CG 3.31Å; W413-Q417 PolarHBondContact O-N 2.96Å; Q417-R419 PolarHBondContact O-N 3.42Å |
| 418 | G | 78.6 | Confident | 84.9 | Confident | 68 Ų | 68 | 66.2 Ų | 66.2 | 70% | 0.701 | 36% | 0.361 | S | S | * | . | S | Bend | trans | 64.5 | 24 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114 | E414 | E414-G418 VanDerWaalsContact O-CA 3.3Å; E414-G418 WeakPolarHBondContact O-CA 3.5Å; E414-G418 PolarHBondContact O-N 3.16Å |
| 419 | R | 80.3 | Confident | 84.8 | Confident | 197 Ų | 197 | 65.9 Ų | 65.9 | 74% | 0.743 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -138.9 | 154.7 | 179.1 | -60.5 | -174.1 | -162.9 | -149.8 | 3.8 | 109.9 | W413 E414 Q417 | W413-R419 WeakPolarHBondContact CZ3-O 3.42Å; E414-R419 WeakPolarHBondContact CG-O 3.44Å; Q417-R419 PolarHBondContact O-N 3.42Å |
| 420 | E | 82.9 | Confident | 84.8 | Confident | 122 Ų | 122 | 68.6 Ų | 68.6 | 57% | 0.57 | 36% | 0.363 | S | S | * | . | trans | -73.9 | 141.2 | 178.8 | -60.6 | -179.9 | 163.9 | 0 | 0 | 111.5 | E414 L422 | E414-E420 WeakPolarHBondContact OE1-CA 3.42Å; E420-L422 HydrophobicContact CB-CD2 4.41Å; E420-L422 PolarHBondContact O-N 2.87Å | ||
| 421 | F | 84.8 | Confident | 84.6 | Confident | 7 Ų | 7 | 71.2 Ų | 71.2 | 3% | 0.031 | 37% | 0.373 | C | S | . | . | trans | -83.1 | 104.5 | 177.8 | -176.5 | -102.6 | 0 | 0 | 0 | 110.6 | F352 V355 I410 W413 E414 V423 F428 | F352-F421 HydrophobicContact CD1-CE2 4.45Å; F352-F421 HydrophobicContact CD1-CZ 4.27Å; F352-F421 AromaticContact CE1-CE2 3.89Å; F352-F421 HydrophobicContact CE1-CE2 3.89Å; F352-F421 HydrophobicContact CE1-CZ 4.09Å; V355-F421 HydrophobicContact CG2-CE1 3.87Å; V355-F421 HydrophobicContact CG2-CZ 4.11Å; I410-F421 HydrophobicContact CD1-CD1 3.81Å; I410-F421 HydrophobicContact CD1-CE1 4.14Å; I410-F421 HydrophobicContact CG1-CD1 3.87Å; I410-F421 HydrophobicContact CG1-CE1 4.3Å; I410-F421 HydrophobicContact CG1-CG 4.28Å; I410-F421 HydrophobicContact CG2-CB 3.69Å; I410-F421 HydrophobicContact CG2-CD1 4.32Å; I410-F421 HydrophobicContact CG2-CG 4.26Å; W413-F421 HydrophobicContact CD2-CD2 4.27Å; W413-F421 HydrophobicContact CE3-CB 3.73Å; W413-F421 AromaticContact CE3-CD2 3.98Å; W413-F421 HydrophobicContact CE3-CD2 3.98Å; W413-F421 HydrophobicContact CE3-CG 4.3Å; W413-F421 HydrophobicContact CH2-CD2 4.17Å; W413-F421 HydrophobicContact CZ2-CD2 4.44Å; W413-F421 HydrophobicContact CZ3-CB 3.63Å; W413-F421 AromaticContact CZ3-CD2 3.94Å; W413-F421 HydrophobicContact CZ3-CD2 3.94Å; W413-F421 HydrophobicContact CZ3-CG 4.3Å; E414-F421 HydrophobicContact CG-CB 4.26Å; E414-F421 PolarHBondContact OE1-N 3.03Å; F421-V423 HydrophobicContact CD1-CG2 4.18Å; F421-V423 HydrophobicContact CE1-CG2 3.48Å; F421-V423 VanDerWaalsContact CE1-CG2 3.48Å; F421-V423 HydrophobicContact CZ-CG2 4.04Å; F421-F428 HydrophobicContact CD1-CB 4.02Å; F421-F428 HydrophobicContact CE1-CB 4.13Å | ||
| 422 | L | 83.8 | Confident | 84.6 | Confident | 60 Ų | 60 | 68.9 Ų | 68.9 | 31% | 0.314 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 132.5 | -178 | -56.5 | 177.1 | 0 | 0 | 0 | 110.9 | E420 Q426 M427 | E420-L422 HydrophobicContact CB-CD2 4.41Å; E420-L422 PolarHBondContact O-N 2.87Å; L422-Q426 WeakPolarHBondContact CA-O 3.4Å; L422-M427 HydrophobicContact CD2-CG 4Å |
| 423 | V | 83.4 | Confident | 84.6 | Confident | 10 Ų | 10 | 69.5 Ų | 69.5 | 6% | 0.061 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 115.2 | 171.4 | 173 | 0 | 0 | 0 | 0 | 107 | F309 V355 F421 G425 Q426 F428 | F309-V423 HydrophobicContact CB-CB 4.31Å; F309-V423 HydrophobicContact CB-CG1 3.8Å; F309-V423 HydrophobicContact CB-CG2 4.5Å; F309-V423 HydrophobicContact CD1-CG1 3.82Å; F309-V423 HydrophobicContact CG-CG1 3.83Å; V355-V423 HydrophobicContact CG1-CG1 4.31Å; V355-V423 HydrophobicContact CG1-CG2 4.14Å; V355-V423 HydrophobicContact CG2-CG2 4.47Å; F421-V423 HydrophobicContact CD1-CG2 4.18Å; F421-V423 HydrophobicContact CE1-CG2 3.48Å; F421-V423 VanDerWaalsContact CE1-CG2 3.48Å; F421-V423 HydrophobicContact CZ-CG2 4.04Å; V423-G425 PolarHBondContact O-N 3.46Å; V423-G425 VanDerWaalsContact O-N 3.14Å; V423-Q426 PolarHBondContact N-O 3.36Å; V423-Q426 PolarHBondContact O-N 2.89Å; V423-Q426 VanDerWaalsContact O-N 3.08Å; V423-F428 HydrophobicContact CB-CB 4.46Å; V423-F428 HydrophobicContact CB-CD2 4.43Å; V423-F428 HydrophobicContact CG2-CB 3.83Å; V423-F428 HydrophobicContact CG2-CD2 3.95Å; V423-F428 HydrophobicContact CG2-CG 4.23Å |
| 424 | N | 80.4 | Confident | 84.5 | Confident | 102 Ų | 102 | 72.5 Ų | 72.5 | 55% | 0.545 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.9 | 30.6 | -174.4 | -59.8 | -41.4 | 0 | 0 | 0 | 114 | F309 | F309-N424 PolarHBondContact O-N 3.5Š|
| 425 | G | 80.3 | Confident | 84.4 | Confident | 44 Ų | 44 | 72.2 Ų | 72.2 | 45% | 0.454 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.8 | 4.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | V423 | V423-G425 PolarHBondContact O-N 3.46Å; V423-G425 VanDerWaalsContact O-N 3.14Å |
| 426 | Q | 83.8 | Confident | 84.4 | Confident | 55 Ų | 55 | 68.4 Ų | 68.4 | 26% | 0.257 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 145.6 | 176.2 | -171.2 | 178.6 | 18.2 | 0 | 0 | 110.9 | L422 V423 F428 E434 | L422-Q426 WeakPolarHBondContact CA-O 3.4Å; V423-Q426 PolarHBondContact N-O 3.36Å; V423-Q426 PolarHBondContact O-N 2.89Å; V423-Q426 VanDerWaalsContact O-N 3.08Å; Q426-F428 PolarHBondContact O-N 3.36Å; Q426-E434 PolarHBondContact NE2-OE1 3.44Å; Q426-E434 PolarHBondContact NE2-OE2 3.3Å |
| 427 | M | 86 | Confident | 84.5 | Confident | 45 Ų | 45 | 64.5 Ų | 64.5 | 22% | 0.222 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 125.9 | 173.7 | -63.9 | -178.4 | 79.2 | 0 | 0 | 110.3 | L422 L429 Q430 Y431 | L422-M427 HydrophobicContact CD2-CG 4Å; M427-L429 VanDerWaalsContact C-N 3.28Å; M427-L429 PolarHBondContact O-N 3.39Å; M427-Q430 HydrophobicContact CB-CB 4.19Å; M427-Q430 HydrophobicContact CB-CG 3.93Å; M427-Q430 WeakPolarHBondContact O-CB 3.44Å; M427-Q430 PolarHBondContact O-N 3.02Å; M427-Q430 HydrophobicContact SD-CG 4.34Å; M427-Q430 PolarHBondContact SD-NE2 3.48Å; M427-Y431 PolarHBondContact O-N 3.48Å |
| 428 | F | 85.6 | Confident | 84.7 | Confident | 3 Ų | 3 | 64.7 Ų | 64.7 | 1% | 0.013 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -55.5 | -41.8 | -173.9 | 177.9 | -109.5 | 0 | 0 | 0 | 113 | V355 W358 L406 I410 F421 V423 Q426 Q430 Y431 V432 | V355-F428 HydrophobicContact CB-CE2 4.28Å; V355-F428 HydrophobicContact CG1-CD2 3.95Å; V355-F428 HydrophobicContact CG1-CE2 3.7Å; V355-F428 HydrophobicContact CG1-CZ 4.41Å; V355-F428 HydrophobicContact CG2-CD1 4.4Å; V355-F428 HydrophobicContact CG2-CD2 4.11Å; V355-F428 HydrophobicContact CG2-CE1 4.36Å; V355-F428 HydrophobicContact CG2-CE2 4.08Å; V355-F428 HydrophobicContact CG2-CG 4.28Å; V355-F428 HydrophobicContact CG2-CZ 4.19Å; W358-F428 HydrophobicContact CB-CZ 4.12Å; W358-F428 HydrophobicContact CD2-CE2 4.34Å; W358-F428 AromaticContact CD2-CZ 3.84Å; W358-F428 HydrophobicContact CD2-CZ 3.84Å; W358-F428 AromaticContact CE3-CE2 3.85Å; W358-F428 HydrophobicContact CE3-CE2 3.85Å; W358-F428 AromaticContact CE3-CZ 3.83Å; W358-F428 HydrophobicContact CE3-CZ 3.83Å; W358-F428 AromaticContact CG-CZ 3.95Å; W358-F428 HydrophobicContact CG-CZ 3.95Å; W358-F428 HydrophobicContact CZ3-CE2 4.38Å; L406-F428 HydrophobicContact CB-CE1 4.23Å; L406-F428 HydrophobicContact CD1-CE1 3.7Å; L406-F428 HydrophobicContact CD1-CZ 3.93Å; I410-F428 HydrophobicContact CD1-CB 4.18Å; I410-F428 HydrophobicContact CD1-CD1 3.57Å; I410-F428 HydrophobicContact CD1-CE1 4.42Å; I410-F428 HydrophobicContact CD1-CG 4.25Å; F421-F428 HydrophobicContact CD1-CB 4.02Å; F421-F428 HydrophobicContact CE1-CB 4.13Å; V423-F428 HydrophobicContact CB-CB 4.46Å; V423-F428 HydrophobicContact CB-CD2 4.43Å; V423-F428 HydrophobicContact CG2-CB 3.83Å; V423-F428 HydrophobicContact CG2-CD2 3.95Å; V423-F428 HydrophobicContact CG2-CG 4.23Å; Q426-F428 PolarHBondContact O-N 3.36Å; F428-Q430 VanDerWaalsContact C-N 3.32Å; F428-Q430 PolarHBondContact O-N 2.83Å; F428-Y431 HydrophobicContact CD2-CD1 4.48Å; F428-Y431 WeakPolarHBondContact O-CB 3.34Å; F428-Y431 PolarHBondContact O-N 3.18Å; F428-V432 HydrophobicContact CD1-CG2 4.09Å; F428-V432 HydrophobicContact CD2-CG2 4.23Å; F428-V432 HydrophobicContact CE1-CG2 3.66Å; F428-V432 HydrophobicContact CE2-CG2 3.79Å; F428-V432 HydrophobicContact CG-CG2 4.37Å; F428-V432 HydrophobicContact CZ-CG2 3.5Å; F428-V432 VanDerWaalsContact O-CG2 3.24Å; F428-V432 WeakPolarHBondContact O-CG2 3.41Å; F428-V432 PolarHBondContact O-N 2.91Å |
| 429 | L | 86.1 | Confident | 85 | Confident | 55 Ų | 55 | 62.7 Ų | 62.7 | 29% | 0.288 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -67.3 | -32.1 | 179.8 | -63.7 | 177.6 | 0 | 0 | 0 | 113.1 | K407 M427 A433 | K407-L429 HydrophobicContact CB-CD1 4.3Å; K407-L429 HydrophobicContact CB-CD2 4.01Å; K407-L429 HydrophobicContact CD-CD1 3.91Å; K407-L429 HydrophobicContact CG-CD1 3.92Å; K407-L429 HydrophobicContact CG-CD2 4.5Å; M427-L429 VanDerWaalsContact C-N 3.28Å; M427-L429 PolarHBondContact O-N 3.39Å; L429-A433 WeakPolarHBondContact O-CB 3.43Å; L429-A433 PolarHBondContact O-N 3.37Å; L429-A433 VanDerWaalsContact O-N 3.13Å |
| 430 | Q | 86.9 | Confident | 85.3 | Confident | 99 Ų | 99 | 59.6 Ų | 59.6 | 46% | 0.463 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -69.4 | -46.2 | 173.6 | -66.6 | 179.8 | -4 | 0 | 0 | 110.2 | M427 F428 V432 A433 E434 | M427-Q430 HydrophobicContact CB-CB 4.19Å; M427-Q430 HydrophobicContact CB-CG 3.93Å; M427-Q430 WeakPolarHBondContact O-CB 3.44Å; M427-Q430 PolarHBondContact O-N 3.02Å; M427-Q430 HydrophobicContact SD-CG 4.34Å; M427-Q430 PolarHBondContact SD-NE2 3.48Å; F428-Q430 VanDerWaalsContact C-N 3.32Å; F428-Q430 PolarHBondContact O-N 2.83Å; Q430-V432 VanDerWaalsContact C-N 3.35Å; Q430-V432 PolarHBondContact O-N 3.03Å; Q430-A433 PolarHBondContact O-N 3.37Å; Q430-A433 VanDerWaalsContact O-N 3.15Å; Q430-E434 WeakPolarHBondContact O-CG 3.44Å; Q430-E434 PolarHBondContact O-N 2.96Å |
| 431 | Y | 85.8 | Confident | 85.5 | Confident | 58 Ų | 58 | 56.7 Ų | 56.7 | 23% | 0.227 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -55.9 | -47.6 | 175 | 172.4 | -107.9 | 0 | 0 | 0 | 112 | W358 M427 F428 A433 E434 Q435 | W358-Y431 HydrophobicContact CH2-CE1 4.33Å; W358-Y431 HydrophobicContact CZ3-CD1 4.21Å; W358-Y431 AromaticContact CZ3-CE1 3.75Å; W358-Y431 HydrophobicContact CZ3-CE1 3.75Å; M427-Y431 PolarHBondContact O-N 3.48Å; F428-Y431 HydrophobicContact CD2-CD1 4.48Å; F428-Y431 WeakPolarHBondContact O-CB 3.34Å; F428-Y431 PolarHBondContact O-N 3.18Å; Y431-A433 VanDerWaalsContact C-N 3.34Å; Y431-A433 PolarHBondContact O-N 3.31Å; Y431-E434 PolarHBondContact O-N 3Å; Y431-Q435 HydrophobicContact CD1-CG 4.42Å; Y431-Q435 HydrophobicContact CD2-CG 4.28Å; Y431-Q435 HydrophobicContact CE1-CG 4.01Å; Y431-Q435 HydrophobicContact CE2-CG 3.83Å; Y431-Q435 VanDerWaalsContact CE2-NE2 3.34Å; Y431-Q435 WeakPolarHBondContact O-CG 3.24Å; Y431-Q435 PolarHBondContact O-N 2.97Å |
| 432 | V | 87.4 | Confident | 85.5 | Confident | 7 Ų | 7 | 61.9 Ų | 61.9 | 4% | 0.042 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -56.9 | -46.6 | 175.9 | 168.2 | 0 | 0 | 0 | 0 | 111.5 | W358 E403 F428 Q430 Q435 W436 | W358-V432 HydrophobicContact CD2-CG2 4.1Å; W358-V432 HydrophobicContact CE3-CG2 4.21Å; W358-V432 HydrophobicContact CH2-CB 4.23Å; W358-V432 HydrophobicContact CH2-CG1 4.39Å; W358-V432 HydrophobicContact CH2-CG2 3.76Å; W358-V432 HydrophobicContact CZ2-CB 3.98Å; W358-V432 HydrophobicContact CZ2-CG1 3.67Å; W358-V432 HydrophobicContact CZ2-CG2 3.62Å; W358-V432 HydrophobicContact CZ3-CG2 4.06Å; E403-V432 HydrophobicContact CG-CG1 3.89Å; F428-V432 HydrophobicContact CD1-CG2 4.09Å; F428-V432 HydrophobicContact CD2-CG2 4.23Å; F428-V432 HydrophobicContact CE1-CG2 3.66Å; F428-V432 HydrophobicContact CE2-CG2 3.79Å; F428-V432 HydrophobicContact CG-CG2 4.37Å; F428-V432 HydrophobicContact CZ-CG2 3.5Å; F428-V432 VanDerWaalsContact O-CG2 3.24Å; F428-V432 WeakPolarHBondContact O-CG2 3.41Å; F428-V432 PolarHBondContact O-N 2.91Å; Q430-V432 VanDerWaalsContact C-N 3.35Å; Q430-V432 PolarHBondContact O-N 3.03Å; V432-Q435 PolarHBondContact O-N 3.32Å; V432-W436 VanDerWaalsContact O-CD1 3.31Å; V432-W436 PolarHBondContact O-N 2.99Å; V432-W436 VanDerWaalsContact O-N 3.08Å |
| 433 | A | 87.4 | Confident | 85.5 | Confident | 58 Ų | 58 | 61.9 Ų | 61.9 | 48% | 0.479 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.2 | -41.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112 | L429 Q430 Y431 W436 E437 | L429-A433 WeakPolarHBondContact O-CB 3.43Å; L429-A433 PolarHBondContact O-N 3.37Å; L429-A433 VanDerWaalsContact O-N 3.13Å; Q430-A433 PolarHBondContact O-N 3.37Å; Q430-A433 VanDerWaalsContact O-N 3.15Å; Y431-A433 VanDerWaalsContact C-N 3.34Å; Y431-A433 PolarHBondContact O-N 3.31Å; A433-W436 PolarHBondContact O-N 3.49Å; A433-E437 WeakPolarHBondContact O-CB 3.27Å; A433-E437 PolarHBondContact O-N 2.84Å |
| 434 | E | 87.2 | Confident | 85.5 | Confident | 92 Ų | 92 | 66.4 Ų | 66.4 | 43% | 0.43 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.8 | -41.4 | 174.8 | -74.1 | 174.4 | -166.8 | 0 | 0 | 111.9 | Q426 Q430 Y431 W436 E437 L438 | Q426-E434 PolarHBondContact NE2-OE1 3.44Å; Q426-E434 PolarHBondContact NE2-OE2 3.3Å; Q430-E434 WeakPolarHBondContact O-CG 3.44Å; Q430-E434 PolarHBondContact O-N 2.96Å; Y431-E434 PolarHBondContact O-N 3Å; E434-W436 PolarHBondContact O-N 2.93Å; E434-E437 PolarHBondContact O-N 3.4Å; E434-L438 WeakPolarHBondContact O-CB 3.5Å; E434-L438 VanDerWaalsContact O-CG 3.28Å; E434-L438 WeakPolarHBondContact O-CG 3.48Å; E434-L438 PolarHBondContact O-N 3.39Å |
| 435 | Q | 86.9 | Confident | 85.7 | Confident | 41 Ų | 41 | 67.2 Ų | 67.2 | 19% | 0.192 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.6 | -44 | 175.8 | -70.5 | -52 | -59.7 | 0 | 0 | 112 | W358 W362 Y431 V432 E437 H439 | W358-Q435 HydrophobicContact CH2-CB 4.19Å; W358-Q435 HydrophobicContact CH2-CG 4.18Å; W362-Q435 HydrophobicContact CZ2-CB 3.9Å; W362-Q435 WeakPolarHBondContact CZ2-O 3.41Å; Y431-Q435 HydrophobicContact CD1-CG 4.42Å; Y431-Q435 HydrophobicContact CD2-CG 4.28Å; Y431-Q435 HydrophobicContact CE1-CG 4.01Å; Y431-Q435 HydrophobicContact CE2-CG 3.83Å; Y431-Q435 VanDerWaalsContact CE2-NE2 3.34Å; Y431-Q435 WeakPolarHBondContact O-CG 3.24Å; Y431-Q435 PolarHBondContact O-N 2.97Å; V432-Q435 PolarHBondContact O-N 3.32Å; Q435-E437 VanDerWaalsContact C-N 3.35Å; Q435-H439 WeakPolarHBondContact O-CB 3.35Å; Q435-H439 PolarHBondContact O-N 3.28Å |
| 436 | W | 86.8 | Confident | 85.8 | Confident | 66 Ų | 66 | 66.3 Ų | 66.3 | 25% | 0.25 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.1 | -38.7 | 174.3 | -84 | 110.7 | 0 | 0 | 0 | 112.6 | W362 L399 E403 V432 A433 E434 H439 R440 | W362-W436 HydrophobicContact CE3-CZ2 4.31Å; W362-W436 AromaticContact CH2-CD2 3.64Å; W362-W436 HydrophobicContact CH2-CD2 3.64Å; W362-W436 AromaticContact CH2-CE3 3.63Å; W362-W436 HydrophobicContact CH2-CE3 3.63Å; W362-W436 HydrophobicContact CH2-CG 4.12Å; W362-W436 HydrophobicContact CH2-CH2 4.37Å; W362-W436 HydrophobicContact CH2-CZ2 4.37Å; W362-W436 HydrophobicContact CH2-CZ3 4Å; W362-W436 AromaticContact CZ3-CD2 3.64Å; W362-W436 HydrophobicContact CZ3-CD2 3.64Å; W362-W436 AromaticContact CZ3-CE2 3.49Å; W362-W436 VanDerWaalsContact CZ3-CE2 3.49Å; W362-W436 AromaticContact CZ3-CE3 3.77Å; W362-W436 HydrophobicContact CZ3-CE3 3.77Å; W362-W436 HydrophobicContact CZ3-CG 4.36Å; W362-W436 AromaticContact CZ3-CH2 3.68Å; W362-W436 HydrophobicContact CZ3-CH2 3.68Å; W362-W436 AromaticContact CZ3-CZ2 3.54Å; W362-W436 HydrophobicContact CZ3-CZ2 3.54Å; W362-W436 AromaticContact CZ3-CZ3 3.79Å; W362-W436 HydrophobicContact CZ3-CZ3 3.79Å; L399-W436 HydrophobicContact CB-CZ2 4.29Å; L399-W436 HydrophobicContact CD1-CZ2 4.44Å; E403-W436 PolarHBondContact OE1-NE1 3.44Å; V432-W436 VanDerWaalsContact O-CD1 3.31Å; V432-W436 PolarHBondContact O-N 2.99Å; V432-W436 VanDerWaalsContact O-N 3.08Å; A433-W436 PolarHBondContact O-N 3.49Å; E434-W436 PolarHBondContact O-N 2.93Å; W436-H439 PolarHBondContact O-N 3.05Å; W436-R440 WeakPolarHBondContact O-CB 3.38Å; W436-R440 PolarHBondContact O-N 2.99Å |
| 437 | E | 87.1 | Confident | 85.7 | Confident | 68 Ų | 68 | 69.9 Ų | 69.9 | 32% | 0.318 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -69.2 | -44.1 | 178.7 | -176.5 | 54.2 | -148.2 | 0 | 0 | 111.8 | A433 E434 Q435 H439 R440 I441 | A433-E437 WeakPolarHBondContact O-CB 3.27Å; A433-E437 PolarHBondContact O-N 2.84Å; E434-E437 PolarHBondContact O-N 3.4Å; Q435-E437 VanDerWaalsContact C-N 3.35Å; E437-H439 VanDerWaalsContact C-N 3.29Å; E437-H439 PolarHBondContact O-N 3.34Å; E437-R440 WeakPolarHBondContact O-CB 3.42Å; E437-R440 PolarHBondContact O-N 3.49Å; E437-R440 VanDerWaalsContact O-N 3.16Å; E437-R440 IonicContact OE1-CZ 3.31Å; E437-R440 VanDerWaalsContact OE1-CZ 3.28Å; E437-R440 IonicContact OE1-NE 2.72Å; E437-R440 PolarHBondContact OE1-NE 3.49Å; E437-R440 IonicContact OE1-NH2 3.27Å; E437-R440 PolarHBondContact OE1-NH2 3Å; E437-R440 IonicContact OE2-CZ 2.7Å; E437-R440 IonicContact OE2-NE 3.15Å; E437-R440 PolarHBondContact OE2-NE 3.35Å; E437-R440 IonicContact OE2-NH1 2.85Å; E437-R440 IonicContact OE2-NH2 3.37Å; E437-R440 PolarHBondContact OE2-NH2 3.43Å; E437-R440 VanDerWaalsContact OE2-NH2 3.08Å; E437-I441 HydrophobicContact CG-CD1 4.01Å; E437-I441 VanDerWaalsContact O-CG1 3.31Å; E437-I441 WeakPolarHBondContact O-CG1 3.11Å; E437-I441 PolarHBondContact O-N 2.9Å; E437-I441 WeakPolarHBondContact OE1-CG1 3.37Å |
| 438 | L | 86.9 | Confident | 85.5 | Confident | 102 Ų | 102 | 72.8 Ų | 72.8 | 53% | 0.534 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -58.2 | -44.2 | 172.9 | -74.5 | 173.1 | 0 | 0 | 0 | 111.1 | E434 I441 E442 | E434-L438 WeakPolarHBondContact O-CB 3.5Å; E434-L438 VanDerWaalsContact O-CG 3.28Å; E434-L438 WeakPolarHBondContact O-CG 3.48Å; E434-L438 PolarHBondContact O-N 3.39Å; L438-I441 PolarHBondContact O-N 2.96Å; L438-E442 WeakPolarHBondContact O-CB 3.47Å; L438-E442 PolarHBondContact O-N 2.97Å |
| 439 | H | 86.1 | Confident | 85.4 | Confident | 25 Ų | 25 | 77.4 Ų | 77.4 | 12% | 0.116 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -59.6 | -47.2 | 174.5 | -179.8 | -100.3 | 0 | 0 | 0 | 111.6 | W362 E369 Q435 W436 E437 I441 E442 K443 | W362-H439 HydrophobicContact CH2-CB 3.98Å; W362-H439 HydrophobicContact CZ2-CB 4.02Å; E369-H439 VanDerWaalsContact CD-CE1 3.49Å; E369-H439 IonicContact OE1-CE1 2.72Å; E369-H439 PolarHBondContact OE1-CE1 3.35Å; E369-H439 VanDerWaalsContact OE1-CE1 3.27Å; E369-H439 IonicContact OE1-NE2 3.53Å; E369-H439 PolarHBondContact OE1-NE2 3.47Å; E369-H439 IonicContact OE2-CD2 3.55Å; E369-H439 IonicContact OE2-CE1 3.91Å; E369-H439 PolarHBondContact OE2-CE1 2.93Å; E369-H439 IonicContact OE2-NE2 2.9Å; E369-H439 PolarHBondContact OE2-NE2 3.27Å; Q435-H439 WeakPolarHBondContact O-CB 3.35Å; Q435-H439 PolarHBondContact O-N 3.28Å; W436-H439 PolarHBondContact O-N 3.05Å; E437-H439 VanDerWaalsContact C-N 3.29Å; E437-H439 PolarHBondContact O-N 3.34Å; H439-I441 PolarHBondContact O-N 3.49Å; H439-E442 PolarHBondContact O-N 3.47Å; H439-K443 WeakPolarHBondContact O-CG 3.36Å; H439-K443 PolarHBondContact O-N 2.94Å |
| 440 | R | 86.6 | Confident | 85 | Confident | 133 Ų | 133 | 80.6 Ų | 80.6 | 50% | 0.502 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -58.1 | -48.3 | 177.2 | -172.6 | -176.8 | 75.4 | 153 | 4.1 | 111.9 | W436 E437 E442 K443 E444 | W436-R440 WeakPolarHBondContact O-CB 3.38Å; W436-R440 PolarHBondContact O-N 2.99Å; E437-R440 WeakPolarHBondContact O-CB 3.42Å; E437-R440 PolarHBondContact O-N 3.49Å; E437-R440 VanDerWaalsContact O-N 3.16Å; E437-R440 IonicContact OE1-CZ 3.31Å; E437-R440 VanDerWaalsContact OE1-CZ 3.28Å; E437-R440 IonicContact OE1-NE 2.72Å; E437-R440 PolarHBondContact OE1-NE 3.49Å; E437-R440 IonicContact OE1-NH2 3.27Å; E437-R440 PolarHBondContact OE1-NH2 3Å; E437-R440 IonicContact OE2-CZ 2.7Å; E437-R440 IonicContact OE2-NE 3.15Å; E437-R440 PolarHBondContact OE2-NE 3.35Å; E437-R440 IonicContact OE2-NH1 2.85Å; E437-R440 IonicContact OE2-NH2 3.37Å; E437-R440 PolarHBondContact OE2-NH2 3.43Å; E437-R440 VanDerWaalsContact OE2-NH2 3.08Å; R440-E442 VanDerWaalsContact C-N 3.31Å; R440-E442 PolarHBondContact O-N 3.21Å; R440-K443 PolarHBondContact O-N 3.04Å; R440-E444 WeakPolarHBondContact O-CG 3.39Å; R440-E444 PolarHBondContact O-N 2.86Å |
| 441 | I | 86.1 | Confident | 84.5 | Confident | 61 Ų | 61 | 80.9 Ų | 80.9 | 31% | 0.313 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60.3 | -42.6 | 177.5 | -68.5 | 166.6 | 0 | 0 | 0 | 110.4 | E437 L438 H439 E444 K445 | E437-I441 HydrophobicContact CG-CD1 4.01Å; E437-I441 VanDerWaalsContact O-CG1 3.31Å; E437-I441 WeakPolarHBondContact O-CG1 3.11Å; E437-I441 PolarHBondContact O-N 2.9Å; E437-I441 WeakPolarHBondContact OE1-CG1 3.37Å; L438-I441 PolarHBondContact O-N 2.96Å; H439-I441 PolarHBondContact O-N 3.49Å; I441-E444 PolarHBondContact O-N 3.47Å; I441-K445 HydrophobicContact CG2-CD 4.22Å; I441-K445 HydrophobicContact CG2-CG 4.42Å; I441-K445 WeakPolarHBondContact O-CG 3.49Å; I441-K445 PolarHBondContact O-N 3.15Å |
| 442 | E | 85.1 | Confident | 84.3 | Confident | 115 Ų | 115 | 82.5 Ų | 82.5 | 54% | 0.537 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -64.3 | -41.2 | 178 | -166.9 | 60.2 | -152.3 | 0 | 0 | 111.6 | L438 H439 R440 E444 K445 E446 | L438-E442 WeakPolarHBondContact O-CB 3.47Å; L438-E442 PolarHBondContact O-N 2.97Å; H439-E442 PolarHBondContact O-N 3.47Å; R440-E442 VanDerWaalsContact C-N 3.31Å; R440-E442 PolarHBondContact O-N 3.21Å; E442-E444 VanDerWaalsContact C-N 3.33Å; E442-E444 PolarHBondContact O-N 3.19Å; E442-K445 PolarHBondContact O-N 2.8Å; E442-E446 WeakPolarHBondContact O-CB 3.43Å; E442-E446 PolarHBondContact O-N 3.02Å |
| 443 | K | 83.6 | Confident | 83.9 | Confident | 61 Ų | 61 | 87.8 Ų | 87.8 | 27% | 0.265 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63.3 | -37.9 | 172.8 | -62.6 | -52.9 | -75.7 | 177.9 | 0 | 112.4 | E369 H439 R440 E446 K447 | E369-K443 WeakPolarHBondContact OE2-CD 3.36Å; E369-K443 IonicContact OE2-NZ 3.5Å; E369-K443 PolarHBondContact OE2-NZ 2.82Å; H439-K443 WeakPolarHBondContact O-CG 3.36Å; H439-K443 PolarHBondContact O-N 2.94Å; R440-K443 PolarHBondContact O-N 3.04Å; K443-E446 WeakPolarHBondContact CE-OE2 3.38Å; K443-E446 IonicContact NZ-OE2 3.45Å; K443-E446 PolarHBondContact NZ-OE2 2.91Å; K443-K447 VanDerWaalsContact O-CB 3.28Å; K443-K447 WeakPolarHBondContact O-CB 3.34Å; K443-K447 PolarHBondContact O-N 3.41Å |
| 444 | E | 84.1 | Confident | 83.4 | Confident | 104 Ų | 104 | 92 Ų | 92 | 49% | 0.486 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -67.9 | -42.7 | 175.8 | -73.9 | -173.1 | 170.6 | 0 | 0 | 111.8 | R440 I441 E442 K447 L448 | R440-E444 WeakPolarHBondContact O-CG 3.39Å; R440-E444 PolarHBondContact O-N 2.86Å; I441-E444 PolarHBondContact O-N 3.47Å; E442-E444 VanDerWaalsContact C-N 3.33Å; E442-E444 PolarHBondContact O-N 3.19Å; E444-K447 WeakPolarHBondContact O-CB 3.48Å; E444-K447 PolarHBondContact O-N 3.35Å; E444-L448 WeakPolarHBondContact O-CB 3.36Å; E444-L448 WeakPolarHBondContact O-CG 3.38Å; E444-L448 PolarHBondContact O-N 3.28Å |
| 445 | K | 82.9 | Confident | 82.9 | Confident | 120 Ų | 120 | 90.1 Ų | 90.1 | 52% | 0.522 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -60 | -47.9 | 172.2 | -74.8 | 177 | -178.3 | 172.9 | 0 | 111.6 | I441 E442 K447 L448 E449 | I441-K445 HydrophobicContact CG2-CD 4.22Å; I441-K445 HydrophobicContact CG2-CG 4.42Å; I441-K445 WeakPolarHBondContact O-CG 3.49Å; I441-K445 PolarHBondContact O-N 3.15Å; E442-K445 PolarHBondContact O-N 2.8Å; K445-K447 VanDerWaalsContact C-N 3.27Å; K445-K447 PolarHBondContact O-N 3Å; K445-L448 PolarHBondContact O-N 3.45Å; K445-E449 WeakPolarHBondContact O-CB 3.34Å; K445-E449 PolarHBondContact O-N 3.04Å |
| 446 | E | 82.8 | Confident | 82.4 | Confident | 25 Ų | 25 | 94 Ų | 94 | 12% | 0.117 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -58.4 | -40.7 | 175.8 | -175.4 | -171.6 | -173.3 | 0 | 0 | 111 | T373 E442 K443 R450 | T373-E446 WeakPolarHBondContact CG2-OE1 3.38Å; T373-E446 PolarHBondContact OG1-OE1 2.88Å; E442-E446 WeakPolarHBondContact O-CB 3.43Å; E442-E446 PolarHBondContact O-N 3.02Å; K443-E446 WeakPolarHBondContact CE-OE2 3.38Å; K443-E446 IonicContact NZ-OE2 3.45Å; K443-E446 PolarHBondContact NZ-OE2 2.91Å; E446-R450 WeakPolarHBondContact O-CB 3.38Å; E446-R450 VanDerWaalsContact O-CG 3.23Å; E446-R450 WeakPolarHBondContact O-CG 3.4Å; E446-R450 PolarHBondContact O-N 3.44Å; E446-R450 IonicContact OE1-CZ 2.84Å; E446-R450 IonicContact OE1-NE 3.42Å; E446-R450 IonicContact OE1-NH1 2.78Å; E446-R450 PolarHBondContact OE1-NH1 3.44Å; E446-R450 IonicContact OE1-NH2 3.59Å; E446-R450 PolarHBondContact OE1-NH2 3.27Å |
| 447 | K | 82.4 | Confident | 81.7 | Confident | 129 Ų | 129 | 96.5 Ų | 96.5 | 56% | 0.561 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -66.8 | -45.2 | 176.6 | -173.8 | -174.5 | 177.1 | -173.3 | 0 | 111.9 | K443 E444 K445 R450 Q451 | K443-K447 VanDerWaalsContact O-CB 3.28Å; K443-K447 WeakPolarHBondContact O-CB 3.34Å; K443-K447 PolarHBondContact O-N 3.41Å; E444-K447 WeakPolarHBondContact O-CB 3.48Å; E444-K447 PolarHBondContact O-N 3.35Å; K445-K447 VanDerWaalsContact C-N 3.27Å; K445-K447 PolarHBondContact O-N 3Å; K447-R450 PolarHBondContact O-N 3.31Å; K447-Q451 WeakPolarHBondContact O-CG 3.31Å; K447-Q451 PolarHBondContact O-N 3.15Å |
| 448 | L | 82.1 | Confident | 80.9 | Confident | 107 Ų | 107 | 97 Ų | 97 | 56% | 0.56 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -65.2 | -40.5 | 176.9 | -73.7 | 171.6 | 0 | 0 | 0 | 111.3 | E444 K445 R450 Q451 L452 | E444-L448 WeakPolarHBondContact O-CB 3.36Å; E444-L448 WeakPolarHBondContact O-CG 3.38Å; E444-L448 PolarHBondContact O-N 3.28Å; K445-L448 PolarHBondContact O-N 3.45Å; L448-R450 PolarHBondContact O-N 3.43Å; L448-Q451 CarbonylContact O-C 3.59Å; L448-Q451 PolarHBondContact O-N 3Å; L448-Q451 VanDerWaalsContact O-N 3.17Å; L448-L452 WeakPolarHBondContact O-CB 3.17Å; L448-L452 PolarHBondContact O-N 3.5Å |
| 449 | E | 82.3 | Confident | 80.2 | Confident | 100 Ų | 100 | 97.3 Ų | 97.3 | 47% | 0.467 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -64.1 | -41.4 | 175.3 | -164.8 | -164.6 | 171 | 0 | 0 | 111 | K445 Q451 L452 K453 | K445-E449 WeakPolarHBondContact O-CB 3.34Å; K445-E449 PolarHBondContact O-N 3.04Å; E449-Q451 VanDerWaalsContact C-N 3.34Å; E449-Q451 PolarHBondContact O-N 2.99Å; E449-L452 PolarHBondContact O-N 3.41Å; E449-K453 HydrophobicContact CG-CD 4.45Å; E449-K453 WeakPolarHBondContact O-CB 3.43Å; E449-K453 VanDerWaalsContact O-CG 3.29Å; E449-K453 WeakPolarHBondContact O-CG 3.25Å; E449-K453 PolarHBondContact O-N 3.04Å; E449-K453 WeakPolarHBondContact OE1-CE 3.33Å; E449-K453 IonicContact OE1-NZ 2.67Å; E449-K453 PolarHBondContact OE1-NZ 2.74Å; E449-K453 IonicContact OE2-NZ 2.58Å |
| 450 | R | 77.6 | Confident | 79.4 | Confident | 122 Ų | 122 | 101.8 Ų | 101.8 | 46% | 0.46 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.4 | -39.2 | 171.6 | -76.3 | 170.7 | 174.7 | 161.8 | 1.5 | 112.2 | E446 K447 L448 K454 | E446-R450 WeakPolarHBondContact O-CB 3.38Å; E446-R450 VanDerWaalsContact O-CG 3.23Å; E446-R450 WeakPolarHBondContact O-CG 3.4Å; E446-R450 PolarHBondContact O-N 3.44Å; E446-R450 IonicContact OE1-CZ 2.84Å; E446-R450 IonicContact OE1-NE 3.42Å; E446-R450 IonicContact OE1-NH1 2.78Å; E446-R450 PolarHBondContact OE1-NH1 3.44Å; E446-R450 IonicContact OE1-NH2 3.59Å; E446-R450 PolarHBondContact OE1-NH2 3.27Å; K447-R450 PolarHBondContact O-N 3.31Å; L448-R450 PolarHBondContact O-N 3.43Å; R450-K454 WeakPolarHBondContact O-CB 2.98Å; R450-K454 VanDerWaalsContact O-CG 3.27Å; R450-K454 WeakPolarHBondContact O-CG 3.27Å; R450-K454 PolarHBondContact O-N 2.85Å |
| 451 | Q | 78.1 | Confident | 78.6 | Confident | 104 Ų | 104 | 98.3 Ų | 98.3 | 49% | 0.486 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -69 | -41.1 | 176.4 | -76 | 178.1 | -8.5 | 0 | 0 | 111.8 | K447 L448 E449 K454 S455 | K447-Q451 WeakPolarHBondContact O-CG 3.31Å; K447-Q451 PolarHBondContact O-N 3.15Å; L448-Q451 CarbonylContact O-C 3.59Å; L448-Q451 PolarHBondContact O-N 3Å; L448-Q451 VanDerWaalsContact O-N 3.17Å; E449-Q451 VanDerWaalsContact C-N 3.34Å; E449-Q451 PolarHBondContact O-N 2.99Å; Q451-K454 CarbonylContact O-C 3.46Å; Q451-K454 PolarHBondContact O-N 3.37Å; Q451-S455 WeakPolarHBondContact O-CB 3.37Å; Q451-S455 PolarHBondContact O-N 2.83Å |
| 452 | L | 80.1 | Confident | 77.8 | Confident | 93 Ų | 93 | 103 Ų | 103 | 49% | 0.487 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.1 | -43.2 | 175.2 | -167.7 | 96.4 | 0 | 0 | 0 | 111 | L448 E449 K454 S455 K456 | L448-L452 WeakPolarHBondContact O-CB 3.17Å; L448-L452 PolarHBondContact O-N 3.5Å; E449-L452 PolarHBondContact O-N 3.41Å; L452-K454 VanDerWaalsContact C-N 3.32Å; L452-K454 PolarHBondContact O-N 3.01Å; L452-S455 PolarHBondContact O-N 3.47Å; L452-K456 HydrophobicContact CD2-CD 4.22Å; L452-K456 HydrophobicContact CG-CD 4.35Å; L452-K456 WeakPolarHBondContact O-CB 3.33Å; L452-K456 VanDerWaalsContact O-CG 3.3Å; L452-K456 WeakPolarHBondContact O-CG 3.48Å; L452-K456 PolarHBondContact O-N 3.27Å |
| 453 | K | 79.6 | Confident | 76.9 | Confident | 117 Ų | 117 | 103.9 Ų | 103.9 | 51% | 0.509 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.6 | -42.2 | 173.3 | -76.8 | 173.7 | -177.2 | 167.2 | 0 | 111.2 | E449 Q457 | E449-K453 HydrophobicContact CG-CD 4.45Å; E449-K453 WeakPolarHBondContact O-CB 3.43Å; E449-K453 VanDerWaalsContact O-CG 3.29Å; E449-K453 WeakPolarHBondContact O-CG 3.25Å; E449-K453 PolarHBondContact O-N 3.04Å; E449-K453 WeakPolarHBondContact OE1-CE 3.33Å; E449-K453 IonicContact OE1-NZ 2.67Å; E449-K453 PolarHBondContact OE1-NZ 2.74Å; E449-K453 IonicContact OE2-NZ 2.58Å; K453-Q457 WeakPolarHBondContact O-CB 3.17Å; K453-Q457 PolarHBondContact O-N 3.47Å |
| 454 | K | 77.2 | Confident | 75.9 | Confident | 148 Ų | 148 | 109.7 Ų | 109.7 | 64% | 0.643 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.6 | -42.4 | 173 | -76.1 | 176.6 | 179.3 | -174.7 | 0 | 112.4 | R450 Q451 L452 Q457 T458 | R450-K454 WeakPolarHBondContact O-CB 2.98Å; R450-K454 VanDerWaalsContact O-CG 3.27Å; R450-K454 WeakPolarHBondContact O-CG 3.27Å; R450-K454 PolarHBondContact O-N 2.85Å; Q451-K454 CarbonylContact O-C 3.46Å; Q451-K454 PolarHBondContact O-N 3.37Å; L452-K454 VanDerWaalsContact C-N 3.32Å; L452-K454 PolarHBondContact O-N 3.01Å; K454-Q457 PolarHBondContact O-N 3.42Å; K454-T458 WeakPolarHBondContact O-CG2 3.24Å; K454-T458 PolarHBondContact O-N 3.17Å; K454-T458 PolarHBondContact O-OG1 3.29Å; K454-T458 VanDerWaalsContact O-OG1 3.08Å |
| 455 | S | 76.3 | Confident | 74.6 | Confident | 51 Ų | 51 | 106.9 Ų | 106.9 | 36% | 0.357 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.5 | -47.7 | 178.2 | -164.4 | 0 | 0 | 0 | 0 | 111.4 | Q451 L452 Q457 T458 E459 | Q451-S455 WeakPolarHBondContact O-CB 3.37Å; Q451-S455 PolarHBondContact O-N 2.83Å; L452-S455 PolarHBondContact O-N 3.47Å; S455-Q457 VanDerWaalsContact C-N 3.32Å; S455-Q457 PolarHBondContact O-N 3.15Å; S455-T458 VanDerWaalsContact CA-OG1 3.28Å; S455-T458 WeakPolarHBondContact CA-OG1 3.49Å; S455-T458 CarbonylContact O-C 3.57Å; S455-T458 PolarHBondContact O-N 3.47Å; S455-T458 PolarHBondContact O-OG1 3.38Å; S455-E459 WeakPolarHBondContact O-CB 3.5Å; S455-E459 WeakPolarHBondContact O-CG 3.27Å; S455-E459 PolarHBondContact O-N 3.34Å; S455-E459 PolarHBondContact OG-OE1 2.96Å |
| 456 | K | 77.1 | Confident | 73.1 | Confident | 124 Ų | 124 | 106 Ų | 106 | 54% | 0.539 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.9 | -43 | 173.8 | -74.3 | 179.7 | 175.9 | -175.4 | 0 | 111.3 | L452 E459 E460 | L452-K456 HydrophobicContact CD2-CD 4.22Å; L452-K456 HydrophobicContact CG-CD 4.35Å; L452-K456 WeakPolarHBondContact O-CB 3.33Å; L452-K456 VanDerWaalsContact O-CG 3.3Å; L452-K456 WeakPolarHBondContact O-CG 3.48Å; L452-K456 PolarHBondContact O-N 3.27Å; K456-E459 PolarHBondContact O-N 3.16Å; K456-E460 VanDerWaalsContact O-CB 3.23Å; K456-E460 WeakPolarHBondContact O-CB 3.33Å; K456-E460 PolarHBondContact O-N 3.21Å |
| 457 | Q | 71.3 | Confident | 71.5 | Confident | 117 Ų | 117 | 109.5 Ų | 109.5 | 55% | 0.547 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -64.2 | -40.8 | 175.5 | -175.2 | 151.1 | 25.2 | 0 | 0 | 111.8 | K453 K454 S455 E460 D461 | K453-Q457 WeakPolarHBondContact O-CB 3.17Å; K453-Q457 PolarHBondContact O-N 3.47Å; K454-Q457 PolarHBondContact O-N 3.42Å; S455-Q457 VanDerWaalsContact C-N 3.32Å; S455-Q457 PolarHBondContact O-N 3.15Å; Q457-E460 PolarHBondContact O-N 2.99Å; Q457-D461 VanDerWaalsContact O-CB 3.25Å; Q457-D461 WeakPolarHBondContact O-CB 3.44Å; Q457-D461 PolarHBondContact O-N 3.25Å |
| 458 | T | 69.6 | Low | 69.8 | Low | 79 Ų | 79 | 109 Ų | 109 | 49% | 0.485 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -68.6 | -34.9 | 174.1 | 50.7 | 0 | 0 | 0 | 0 | 113.1 | K454 S455 M462 | K454-T458 WeakPolarHBondContact O-CG2 3.24Å; K454-T458 PolarHBondContact O-N 3.17Å; K454-T458 PolarHBondContact O-OG1 3.29Å; K454-T458 VanDerWaalsContact O-OG1 3.08Å; S455-T458 VanDerWaalsContact CA-OG1 3.28Å; S455-T458 WeakPolarHBondContact CA-OG1 3.49Å; S455-T458 CarbonylContact O-C 3.57Å; S455-T458 PolarHBondContact O-N 3.47Å; S455-T458 PolarHBondContact O-OG1 3.38Å; T458-M462 WeakPolarHBondContact O-CB 3.38Å; T458-M462 VanDerWaalsContact O-CG 3.26Å; T458-M462 WeakPolarHBondContact O-CG 3.45Å; T458-M462 PolarHBondContact O-N 3.07Å |
| 459 | E | 73.4 | Confident | 67.9 | Low | 108 Ų | 108 | 115.8 Ų | 115.8 | 51% | 0.505 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -68.1 | -42.5 | 174.7 | -77.7 | 169.4 | -158 | 0 | 0 | 111.3 | S455 K456 M462 L463 | S455-E459 WeakPolarHBondContact O-CB 3.5Å; S455-E459 WeakPolarHBondContact O-CG 3.27Å; S455-E459 PolarHBondContact O-N 3.34Å; S455-E459 PolarHBondContact OG-OE1 2.96Å; K456-E459 PolarHBondContact O-N 3.16Å; E459-M462 PolarHBondContact O-N 2.93Å; E459-L463 WeakPolarHBondContact O-CB 3.36Å; E459-L463 PolarHBondContact O-N 3.13Å |
| 460 | E | 69.9 | Low | 65.9 | Low | 120 Ų | 120 | 116.4 Ų | 116.4 | 56% | 0.561 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -64.2 | -42.3 | 174.2 | -162.4 | 174 | -164.3 | 0 | 0 | 111 | K456 Q457 M462 L463 Y464 | K456-E460 VanDerWaalsContact O-CB 3.23Å; K456-E460 WeakPolarHBondContact O-CB 3.33Å; K456-E460 PolarHBondContact O-N 3.21Å; Q457-E460 PolarHBondContact O-N 2.99Å; E460-M462 VanDerWaalsContact C-N 3.32Å; E460-M462 PolarHBondContact O-N 3.17Å; E460-L463 PolarHBondContact O-N 2.85Å; E460-Y464 HydrophobicContact CG-CD2 3.96Å; E460-Y464 HydrophobicContact CG-CE2 4.39Å; E460-Y464 PolarHBondContact O-N 3.1Å |
| 461 | D | 68.6 | Low | 64.4 | Low | 59 Ų | 59 | 117 Ų | 117 | 32% | 0.316 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -64.6 | -31.7 | 173.6 | -74.7 | -24 | 0 | 0 | 0 | 112.7 | Q457 G465 T466 | Q457-D461 VanDerWaalsContact O-CB 3.25Å; Q457-D461 WeakPolarHBondContact O-CB 3.44Å; Q457-D461 PolarHBondContact O-N 3.25Å; D461-G465 CarbonylContact O-C 3.58Å; D461-G465 VanDerWaalsContact O-C 3.25Å; D461-G465 WeakPolarHBondContact O-CA 3.32Å; D461-G465 PolarHBondContact O-N 3.44Å; D461-T466 HydrophobicContact CB-CG2 4.21Å; D461-T466 PolarHBondContact O-N 3.09Å |
| 462 | M | 69.1 | Low | 62.5 | Low | 160 Ų | 160 | 116.2 Ų | 116.2 | 79% | 0.788 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -78.4 | -31.9 | 174.4 | -75.3 | -165.4 | -35.8 | 0 | 0 | 113 | T458 E459 E460 | T458-M462 WeakPolarHBondContact O-CB 3.38Å; T458-M462 VanDerWaalsContact O-CG 3.26Å; T458-M462 WeakPolarHBondContact O-CG 3.45Å; T458-M462 PolarHBondContact O-N 3.07Å; E459-M462 PolarHBondContact O-N 2.93Å; E460-M462 VanDerWaalsContact C-N 3.32Å; E460-M462 PolarHBondContact O-N 3.17Å |
| 463 | L | 66.5 | Low | 60.4 | Low | 133 Ų | 133 | 121.4 Ų | 121.4 | 70% | 0.696 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -83.6 | -33.9 | -177.3 | -166 | 66.6 | 0 | 0 | 0 | 112.6 | E459 E460 | E459-L463 WeakPolarHBondContact O-CB 3.36Å; E459-L463 PolarHBondContact O-N 3.13Å; E460-L463 PolarHBondContact O-N 2.85Å |
| 464 | Y | 64 | Low | 58.5 | Low | 184 Ų | 184 | 127.2 Ų | 127.2 | 72% | 0.722 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -111.9 | -4 | -178.2 | -63.3 | -76.7 | 0 | 0 | 0 | 114.2 | E460 | E460-Y464 HydrophobicContact CG-CD2 3.96Å; E460-Y464 HydrophobicContact CG-CE2 4.39Å; E460-Y464 PolarHBondContact O-N 3.1Å |
| 465 | G | 54.8 | Low | 56.6 | Low | 45 Ų | 45 | 131 Ų | 131 | 46% | 0.464 | 67% | 0.666 | S | S | . | * | trans | 77.7 | 136.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | D461 A467 | D461-G465 CarbonylContact O-C 3.58Å; D461-G465 VanDerWaalsContact O-C 3.25Å; D461-G465 WeakPolarHBondContact O-CA 3.32Å; D461-G465 PolarHBondContact O-N 3.44Å; G465-A467 PolarHBondContact O-N 3.22Å; G465-A467 VanDerWaalsContact O-N 3.09Å | ||
| 466 | T | 53 | Low | 54.7 | Low | 102 Ų | 102 | 138.1 Ų | 138.1 | 63% | 0.626 | 69% | 0.692 | S | S | * | * | trans | -49.9 | 116.6 | 176.7 | 25.8 | 0 | 0 | 0 | 0 | 111.7 | D461 V468 | D461-T466 HydrophobicContact CB-CG2 4.21Å; D461-T466 PolarHBondContact O-N 3.09Å; T466-V468 PolarHBondContact O-N 2.78Å | ||
| 467 | A | 48.4 | Very low | 53 | Low | 98 Ų | 98 | 140 Ų | 140 | 81% | 0.81 | 71% | 0.706 | S | S | * | * | trans | -67.3 | 97 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | G465 R469 | G465-A467 PolarHBondContact O-N 3.22Å; G465-A467 VanDerWaalsContact O-N 3.09Å; A467-R469 PolarHBondContact O-N 3.03Å | ||
| 468 | V | 46 | Very low | 51.2 | Low | 118 Ų | 118 | 137.5 Ų | 137.5 | 72% | 0.715 | 71% | 0.713 | S | S | * | * | trans | -59.2 | 117.9 | 173.8 | 176 | 0 | 0 | 0 | 0 | 109.8 | T466 T470 | T466-V468 PolarHBondContact O-N 2.78Å; V468-T470 HydrophobicContact CG1-CG2 4.35Å | ||
| 469 | R | 42.3 | Very low | 49.6 | Very low | 249 Ų | 249 | 140.1 Ų | 140.1 | 94% | 0.94 | 73% | 0.729 | S | S | * | * | trans | -124.4 | 103 | 154.7 | -97 | -170 | 163.3 | -175 | -3.2 | 110.8 | A467 | A467-R469 PolarHBondContact O-N 3.03Š| ||
| 470 | T | 41.5 | Very low | 47.8 | Very low | 114 Ų | 114 | 140.7 Ų | 140.7 | 70% | 0.699 | 74% | 0.74 | S | S | * | * | trans | -68.2 | 164.8 | 170.2 | 25.9 | 0 | 0 | 0 | 0 | 112.2 | V468 | V468-T470 HydrophobicContact CG1-CG2 4.35Š| ||
| 471 | P | 46 | Very low | 46.2 | Very low | 134 Ų | 134 | 141.2 Ų | 141.2 | 87% | 0.87 | 75% | 0.751 | S | S | * | * | -131.3 | 149.5 | 105.2 | 31.7 | -19.5 | 0 | 0 | 0 | 113.9 | |||||
| 472 | A | 37.3 | Very low | 45.2 | Very low | 87 Ų | 87 | 143.5 Ų | 143.5 | 72% | 0.719 | 77% | 0.769 | S | S | * | * | trans | -83 | 148 | -173 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 473 | K | 36.9 | Very low | 43.6 | Very low | 202 Ų | 202 | 143.4 Ų | 143.4 | 88% | 0.878 | 77% | 0.772 | S | S | * | * | trans | 50.7 | 119.4 | 144.1 | -74.2 | -179.7 | 175.1 | 176.4 | 0 | 120.3 | ||||
| 474 | R | 39.9 | Very low | 42.2 | Very low | 240 Ų | 240 | 147.1 Ų | 147.1 | 91% | 0.906 | 78% | 0.783 | S | S | * | * | -156.1 | 127.6 | 104.1 | -109.9 | 179.1 | -167 | 177.9 | 4.5 | 111.4 | |||||
| 475 | R | 37 | Very low | 40.9 | Very low | 226 Ų | 226 | 143.1 Ų | 143.1 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | trans | -85 | 143.1 | 166.9 | -79.5 | 179.9 | -172.6 | 168.5 | 1.9 | 109.1 | ||||
| 476 | F | 35.3 | Very low | 40.1 | Very low | 202 Ų | 202 | 151.8 Ų | 151.8 | 89% | 0.886 | 80% | 0.8 | S | S | * | * | trans | -136 | 133.3 | 143 | -101.2 | -85.8 | 0 | 0 | 0 | 108.4 | ||||
| 477 | L | 41.9 | Very low | 39.4 | Very low | 162 Ų | 162 | 155.2 Ų | 155.2 | 85% | 0.848 | 81% | 0.806 | S | S | * | * | trans | -83.9 | 147 | 175.9 | -86.4 | 107.1 | 0 | 0 | 0 | 110.6 | ||||
| 478 | G | 33.8 | Very low | 39.1 | Very low | 66 Ų | 66 | 158.2 Ų | 158.2 | 68% | 0.68 | 81% | 0.808 | S | S | * | * | trans | 129.4 | 120.3 | 135.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 479 | T | 35.2 | Very low | 38.6 | Very low | 134 Ų | 134 | 159.9 Ų | 159.9 | 82% | 0.822 | 81% | 0.813 | S | S | * | * | trans | 117.4 | 96.8 | 153.2 | 60 | 0 | 0 | 0 | 0 | 115 | ||||
| 480 | T | 35.7 | Very low | 38.3 | Very low | 120 Ų | 120 | 152.4 Ų | 152.4 | 74% | 0.736 | 80% | 0.804 | S | S | * | * | 52.6 | 127.3 | 100.6 | 62 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 481 | T | 37 | Very low | 38.1 | Very low | 131 Ų | 131 | 153.7 Ų | 153.7 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | cis | -176.8 | -166.4 | 16.2 | 25.1 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 482 | P | 47.7 | Very low | 37.6 | Very low | 107 Ų | 107 | 152.3 Ų | 152.3 | 70% | 0.695 | 81% | 0.805 | S | S | * | * | -127.5 | 161.6 | -75.4 | 38.3 | -20.1 | 0 | 0 | 0 | 115.2 | |||||
| 483 | N | 36.5 | Very low | 37.4 | Very low | 157 Ų | 157 | 152.9 Ų | 152.9 | 84% | 0.84 | 80% | 0.804 | S | S | * | * | trans | 27.8 | 127.8 | 143.5 | -69.4 | -24.5 | 0 | 0 | 0 | 122 | ||||
| 484 | K | 37 | Very low | 37.2 | Very low | 212 Ų | 212 | 151.4 Ų | 151.4 | 92% | 0.922 | 80% | 0.802 | S | S | * | * | -148.9 | 149 | 120.1 | -124.6 | 169.8 | -174.6 | 173.2 | 0 | 112 | |||||
| 485 | S | 35.6 | Very low | 36.9 | Very low | 99 Ų | 99 | 144 Ų | 144 | 69% | 0.692 | 79% | 0.787 | S | S | * | * | trans | -110.8 | -175.3 | -148.6 | 46.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 486 | R | 38.6 | Very low | 36.6 | Very low | 227 Ų | 227 | 138.8 Ų | 138.8 | 86% | 0.857 | 79% | 0.786 | S | S | * | * | trans | 88.7 | 135.4 | 160.9 | -81.6 | -179.1 | -170.5 | -176.5 | 3.8 | 116 | ||||
| 487 | K | 37.7 | Very low | 36.4 | Very low | 174 Ų | 174 | 133.1 Ų | 133.1 | 76% | 0.757 | 78% | 0.784 | S | S | * | * | cis | -165.3 | 134.6 | 0.6 | -162.1 | 174.1 | 173.3 | -174.5 | 0 | 105.7 | ||||
| 488 | L | 41.6 | Very low | 35.9 | Very low | 161 Ų | 161 | 130 Ų | 130 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | trans | -66.5 | 149.5 | 164.7 | -66.5 | 165 | 0 | 0 | 0 | 109.2 | ||||
| 489 | N | 35.6 | Very low | 35.7 | Very low | 154 Ų | 154 | 132 Ų | 132 | 82% | 0.824 | 79% | 0.785 | S | S | * | * | trans | -148.5 | 108.7 | 136.2 | -95.1 | -6.3 | 0 | 0 | 0 | 107.9 | ||||
| 490 | A | 36.3 | Very low | 35.6 | Very low | 91 Ų | 91 | 132.8 Ų | 132.8 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | trans | -76.3 | 145.4 | 161.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 491 | T | 37.4 | Very low | 35.4 | Very low | 142 Ų | 142 | 132 Ų | 132 | 87% | 0.871 | 78% | 0.784 | S | S | * | * | trans | -155.6 | 121.7 | 140.5 | 22.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 492 | S | 35 | Very low | 35 | Very low | 104 Ų | 104 | 131.4 Ų | 131.4 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | -61.8 | 158.9 | 168.7 | 42.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 493 | S | 34.1 | Very low | 34.3 | Very low | 100 Ų | 100 | 133.1 Ų | 133.1 | 70% | 0.699 | 78% | 0.781 | S | S | * | * | 135.8 | 128.2 | 113 | 66.5 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 494 | M | 33.3 | Very low | 34 | Very low | 170 Ų | 170 | 135.8 Ų | 135.8 | 84% | 0.837 | 78% | 0.779 | S | S | * | * | trans | 67.4 | 149.8 | 144.9 | -53.1 | -92.2 | 82.9 | 0 | 0 | 117.2 | ||||
| 495 | S | 32.6 | Very low | 33.7 | Very low | 84 Ų | 84 | 130.4 Ų | 130.4 | 59% | 0.587 | 77% | 0.768 | S | S | * | * | cis | -178.5 | 151.8 | -17.9 | 47 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 496 | S | 31.8 | Very low | 33.4 | Very low | 118 Ų | 118 | 131.4 Ų | 131.4 | 83% | 0.825 | 77% | 0.769 | S | S | * | * | trans | 60 | 134.8 | 148 | 60.5 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 497 | G | 30 | Very low | 33 | Very low | 82 Ų | 82 | 128.7 Ų | 128.7 | 85% | 0.845 | 77% | 0.766 | S | S | * | * | trans | 150.5 | 109.7 | 148.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 498 | A | 31.1 | Very low | 32.6 | Very low | 97 Ų | 97 | 126.6 Ų | 126.6 | 80% | 0.802 | 77% | 0.772 | S | S | * | * | trans | -84.6 | 167 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 499 | S | 30.2 | Very low | 32.1 | Very low | 107 Ų | 107 | 121.9 Ų | 121.9 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | trans | 115.9 | 114.3 | 143 | -52 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 500 | N | 32.3 | Very low | 32 | Very low | 152 Ų | 152 | 120.8 Ų | 120.8 | 81% | 0.813 | 76% | 0.761 | S | S | * | * | 51.4 | 134.4 | 123.7 | -64.1 | -3.8 | 0 | 0 | 0 | 124.4 | |||||
| 501 | S | 31.6 | Very low | 32 | Very low | 104 Ų | 104 | 122 Ų | 122 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | trans | 86.5 | 118.2 | 133.1 | 73.1 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 502 | T | 30.1 | Very low | 31.8 | Very low | 117 Ų | 117 | 120.3 Ų | 120.3 | 72% | 0.718 | 75% | 0.752 | S | S | * | * | 51.6 | 118 | 119.7 | -30.1 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 503 | M | 32.3 | Very low | 31.6 | Very low | 143 Ų | 143 | 126.6 Ų | 126.6 | 70% | 0.704 | 76% | 0.76 | S | S | * | * | 152.3 | 132.8 | 111.9 | -87.8 | -59.9 | -111.3 | 0 | 0 | 115.1 | |||||
| 504 | R | 31 | Very low | 31.7 | Very low | 214 Ų | 214 | 126.8 Ų | 126.8 | 81% | 0.808 | 76% | 0.761 | S | S | * | * | trans | 49.7 | 128.5 | 140.6 | -80.5 | -173.9 | -177.3 | -147.1 | -1.2 | 123.5 | ||||
| 505 | S | 29.5 | Very low | 32.5 | Very low | 98 Ų | 98 | 124.5 Ų | 124.5 | 69% | 0.685 | 76% | 0.759 | S | S | * | * | 54.5 | 137.2 | 122.4 | -152.5 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 506 | V | 30.4 | Very low | 32.8 | Very low | 120 Ų | 120 | 125.4 Ų | 125.4 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | -168.6 | 142.2 | 61.3 | -163.5 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 507 | H | 29.8 | Very low | 33.6 | Very low | 170 Ų | 170 | 125.6 Ų | 125.6 | 79% | 0.787 | 76% | 0.759 | S | S | * | * | trans | 20 | 134.5 | 150.8 | -62.5 | 65.5 | 0 | 0 | 0 | 123.5 | ||||
| 508 | C | 28.4 | Very low | 33.7 | Very low | 131 Ų | 131 | 130.8 Ų | 130.8 | 89% | 0.885 | 75% | 0.753 | S | S | * | * | 143.8 | 140 | 100.1 | -143.4 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 509 | G | 31.1 | Very low | 33.7 | Very low | 62 Ų | 62 | 134 Ų | 134 | 64% | 0.639 | 75% | 0.75 | S | S | * | * | trans | 106.2 | 87.2 | 159.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 510 | T | 33.3 | Very low | 33.6 | Very low | 130 Ų | 130 | 136 Ų | 136 | 80% | 0.798 | 75% | 0.751 | S | S | * | * | 54.5 | 127.6 | 89.4 | -21.8 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 511 | V | 37.2 | Very low | 33.6 | Very low | 117 Ų | 117 | 135.8 Ų | 135.8 | 71% | 0.709 | 75% | 0.749 | S | S | * | * | cis | -171.8 | 150.9 | 47.7 | -147.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 512 | C | 33.1 | Very low | 33.6 | Very low | 107 Ų | 107 | 136.1 Ų | 136.1 | 72% | 0.723 | 75% | 0.751 | S | S | * | * | trans | 69.5 | 139.1 | 139.1 | -87.2 | 0 | 0 | 0 | 0 | 121 | ||||
| 513 | R | 31.1 | Very low | 33.7 | Very low | 236 Ų | 236 | 134.3 Ų | 134.3 | 89% | 0.891 | 75% | 0.748 | S | S | * | * | cis | -156.4 | 155 | 9 | -78.1 | -156.4 | 170.9 | -158 | -2.7 | 112 | ||||
| 514 | S | 35.5 | Very low | 33.7 | Very low | 104 Ų | 104 | 133.9 Ų | 133.9 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | trans | -60.5 | 176 | 161.4 | -147.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 515 | P | 49.2 | Very low | 33.8 | Very low | 122 Ų | 122 | 132.5 Ų | 132.5 | 79% | 0.792 | 75% | 0.748 | S | S | * | * | cis | -149.1 | 168.2 | 23.6 | 40.5 | -16.4 | 0 | 0 | 0 | 121.9 | ||||
| 516 | V | 39.7 | Very low | 34 | Very low | 103 Ų | 103 | 133.8 Ų | 133.8 | 62% | 0.624 | 75% | 0.753 | S | S | * | * | trans | -51.1 | 155.7 | 158.1 | 173.9 | 0 | 0 | 0 | 0 | 111.6 | R518 | V516-R518 HydrophobicContact CG1-CB 4.47Š| ||
| 517 | P | 48.6 | Very low | 34.5 | Very low | 121 Ų | 121 | 134.4 Ų | 134.4 | 79% | 0.786 | 76% | 0.759 | S | S | * | * | -146.9 | 156 | 61.5 | 31.3 | -5.6 | 0 | 0 | 0 | 116.6 | |||||
| 518 | R | 33.3 | Very low | 34.7 | Very low | 192 Ų | 192 | 131.2 Ų | 131.2 | 73% | 0.725 | 76% | 0.762 | S | S | * | * | 82.8 | 121.8 | 53.4 | -106.4 | -155.7 | -107 | -159.9 | 3 | 116.4 | V516 | V516-R518 HydrophobicContact CG1-CB 4.47Š| |||
| 519 | F | 29.1 | Very low | 34.9 | Very low | 165 Ų | 165 | 130 Ų | 130 | 72% | 0.724 | 76% | 0.761 | S | S | * | * | trans | 74.8 | 142.1 | 160.5 | -58 | -61 | 0 | 0 | 0 | 118.9 | ||||
| 520 | L | 28.9 | Very low | 35 | Very low | 148 Ų | 148 | 138.8 Ų | 138.8 | 78% | 0.775 | 78% | 0.775 | S | S | * | * | -160.2 | 153.4 | 56.1 | -72.6 | 159.2 | 0 | 0 | 0 | 115.2 | |||||
| 521 | L | 33 | Very low | 35.1 | Very low | 147 Ų | 147 | 138.9 Ų | 138.9 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | trans | 33.3 | 126.5 | 133.8 | -55.3 | 166.1 | 0 | 0 | 0 | 120.2 | ||||
| 522 | S | 32 | Very low | 35.4 | Very low | 111 Ų | 111 | 139.2 Ų | 139.2 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | 79 | 119.1 | 64.8 | -166.2 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 523 | A | 31.9 | Very low | 35.3 | Very low | 79 Ų | 79 | 138 Ų | 138 | 65% | 0.653 | 79% | 0.786 | S | S | * | * | trans | 123.2 | 134.9 | 136.8 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 524 | N | 31.9 | Very low | 35.2 | Very low | 135 Ų | 135 | 130.9 Ų | 130.9 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | trans | 93 | 107.3 | 154.6 | -64.4 | -20.1 | 0 | 0 | 0 | 119.1 | ||||
| 525 | K | 32.1 | Very low | 34.9 | Very low | 184 Ų | 184 | 129.9 Ų | 129.9 | 80% | 0.8 | 79% | 0.792 | S | S | * | * | 72.5 | 130.2 | 86.6 | -77.5 | -177.9 | 178.7 | -179.6 | 0 | 111.1 | |||||
| 526 | T | 33.9 | Very low | 34.2 | Very low | 126 Ų | 126 | 134 Ų | 134 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | cis | -175.1 | 174.1 | 35.6 | 5 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 527 | P | 41.9 | Very low | 35.1 | Very low | 132 Ų | 132 | 134.7 Ų | 134.7 | 86% | 0.857 | 80% | 0.804 | S | S | * | * | -149.6 | 174.5 | 94.1 | 34.9 | -12.8 | 0 | 0 | 0 | 116.4 | |||||
| 528 | A | 33.1 | Very low | 35.1 | Very low | 104 Ų | 104 | 134.8 Ų | 134.8 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | trans | -72.8 | 166.2 | -164 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 529 | A | 32.2 | Very low | 35.2 | Very low | 104 Ų | 104 | 133.9 Ų | 133.9 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | trans | -126.6 | 141.6 | 161.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 530 | R | 33.1 | Very low | 35.4 | Very low | 247 Ų | 247 | 133.4 Ų | 133.4 | 93% | 0.932 | 81% | 0.813 | S | S | * | * | trans | -111.4 | 141.4 | 168.6 | -75.5 | -177.6 | 172.3 | 178.8 | -2.3 | 108.7 | ||||
| 531 | T | 35.7 | Very low | 35.5 | Very low | 133 Ų | 133 | 136.6 Ų | 136.6 | 82% | 0.816 | 82% | 0.815 | S | S | * | * | trans | -70.9 | 171 | 162.5 | -1.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 532 | P | 44.7 | Very low | 35.5 | Very low | 123 Ų | 123 | 134.3 Ų | 134.3 | 80% | 0.799 | 81% | 0.807 | S | S | * | * | cis | -155.1 | 176.4 | 46.9 | 40 | -16.5 | 0 | 0 | 0 | 119.4 | ||||
| 533 | G | 29.7 | Very low | 35.6 | Very low | 83 Ų | 83 | 136.4 Ų | 136.4 | 86% | 0.856 | 80% | 0.804 | S | S | * | * | trans | 75.7 | 147.2 | 153.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 534 | G | 29.8 | Very low | 35.5 | Very low | 86 Ų | 86 | 138.2 Ų | 138.2 | 89% | 0.887 | 80% | 0.803 | S | S | * | * | cis | 141.5 | 132.9 | 14.6 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 535 | G | 29.9 | Very low | 35.5 | Very low | 83 Ų | 83 | 137 Ų | 137 | 86% | 0.856 | 80% | 0.804 | S | S | * | * | trans | 136 | 125.6 | 166.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 536 | K | 33.3 | Very low | 35.6 | Very low | 208 Ų | 208 | 136 Ų | 136 | 90% | 0.904 | 81% | 0.807 | S | S | * | * | trans | -83.9 | -165.7 | 168.4 | -63.5 | 177.1 | 164.5 | 176.3 | 0 | 111.7 | ||||
| 537 | P | 59.9 | Low | 35.7 | Very low | 117 Ų | 117 | 139.3 Ų | 139.3 | 76% | 0.76 | 81% | 0.811 | S | S | * | * | -99.5 | -170.1 | -117.8 | 40.1 | -17.9 | 0 | 0 | 0 | 112.4 | |||||
| 538 | P | 48.3 | Very low | 35.4 | Very low | 124 Ų | 124 | 140.8 Ų | 140.8 | 81% | 0.805 | 81% | 0.806 | S | S | * | * | -158.9 | 178.9 | 81.1 | 38.4 | -14.4 | 0 | 0 | 0 | 117.4 | |||||
| 539 | H | 34.9 | Very low | 35.6 | Very low | 172 Ų | 172 | 141.7 Ų | 141.7 | 80% | 0.796 | 80% | 0.797 | S | S | * | * | trans | -33.8 | 150.2 | 166.9 | -105 | -75.4 | 0 | 0 | 0 | 119.6 | ||||
| 540 | L | 32.6 | Very low | 35.4 | Very low | 156 Ų | 156 | 144.1 Ų | 144.1 | 82% | 0.817 | 79% | 0.79 | S | S | * | * | trans | -172.2 | 117.5 | 130.2 | -97 | 142.3 | 0 | 0 | 0 | 107.5 | ||||
| 541 | R | 30.7 | Very low | 35.3 | Very low | 215 Ų | 215 | 137.3 Ų | 137.3 | 81% | 0.811 | 79% | 0.787 | S | S | * | * | 44.2 | 128 | 84.1 | -96.5 | -173.6 | 178.8 | -177.9 | 0.3 | 110.9 | |||||
| 542 | T | 34.4 | Very low | 35.2 | Very low | 98 Ų | 98 | 139.3 Ų | 139.3 | 60% | 0.601 | 79% | 0.787 | S | S | * | * | cis | -178.3 | 153.9 | 48.2 | -15.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 543 | Q | 33.4 | Very low | 34.6 | Very low | 156 Ų | 156 | 137.2 Ų | 137.2 | 73% | 0.729 | 79% | 0.788 | S | S | * | * | trans | 65.6 | 147.4 | 138.6 | -83.9 | -179.9 | -64.3 | 0 | 0 | 119.9 | ||||
| 544 | D | 30 | Very low | 34.8 | Very low | 116 Ų | 116 | 143.1 Ų | 143.1 | 62% | 0.62 | 79% | 0.79 | S | S | * | * | cis | -153.9 | 137.9 | 18.2 | -95.6 | -42.1 | 0 | 0 | 0 | 106.9 | ||||
| 545 | C | 32.3 | Very low | 34.8 | Very low | 109 Ų | 109 | 143.8 Ų | 143.8 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | 58.1 | 113.1 | 85.9 | -70.6 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 546 | N | 33.8 | Very low | 35.1 | Very low | 164 Ų | 164 | 146.3 Ų | 146.3 | 88% | 0.877 | 79% | 0.786 | S | S | * | * | trans | -171.5 | 113.7 | 139.6 | -87.2 | -19.8 | 0 | 0 | 0 | 105.6 | ||||
| 547 | K | 35.1 | Very low | 35.7 | Very low | 195 Ų | 195 | 141.6 Ų | 141.6 | 85% | 0.848 | 78% | 0.776 | S | S | * | * | 48.3 | 113.5 | 54.5 | -87.9 | -169.7 | 176.9 | -175 | 0 | 110.3 | |||||
| 548 | E | 36.2 | Very low | 34.3 | Very low | 164 Ų | 164 | 143 Ų | 143 | 77% | 0.766 | 78% | 0.783 | S | S | * | * | -173.7 | 171.6 | 57.4 | -79.4 | -169.8 | 130.1 | 0 | 0 | 107.4 | |||||
| 549 | N | 36.4 | Very low | 33.6 | Very low | 122 Ų | 122 | 142.7 Ų | 142.7 | 65% | 0.652 | 78% | 0.784 | S | S | * | * | cis | -163.3 | 151.3 | -6.3 | -111.1 | -23.9 | 0 | 0 | 0 | 109.4 | ||||
| 550 | E | 29.5 | Very low | 33.4 | Very low | 155 Ų | 155 | 138.2 Ų | 138.2 | 72% | 0.724 | 78% | 0.784 | S | S | * | * | trans | -4.5 | 146.4 | 154.2 | -60 | -167.5 | 150 | 0 | 0 | 122.9 | ||||
| 551 | A | 31.4 | Very low | 33.4 | Very low | 105 Ų | 105 | 135.4 Ų | 135.4 | 87% | 0.868 | 78% | 0.783 | S | S | * | * | -142 | 133.1 | 124.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 552 | Q | 33.5 | Very low | 33.4 | Very low | 174 Ų | 174 | 133.6 Ų | 133.6 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | trans | -74.7 | 156.2 | -175 | -68.5 | 165 | -33.2 | 0 | 0 | 114.2 | ||||
| 553 | G | 30.8 | Very low | 33.4 | Very low | 79 Ų | 79 | 137.9 Ų | 137.9 | 81% | 0.814 | 80% | 0.802 | S | S | * | * | trans | -163.2 | 114.5 | 161.2 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 554 | K | 33.9 | Very low | 33.6 | Very low | 208 Ų | 208 | 136.6 Ų | 136.6 | 90% | 0.904 | 81% | 0.805 | S | S | * | * | trans | -70.6 | 150.6 | -169.1 | -62.6 | 165.1 | 174.4 | 174.8 | 0 | 114.7 | ||||
| 555 | A | 29.5 | Very low | 34.2 | Very low | 99 Ų | 99 | 137.1 Ų | 137.1 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | 150.1 | 140.3 | 116.4 | 0 | 0 | 0 | 0 | 0 | 113 | |||||
| 556 | T | 36.3 | Very low | 34.3 | Very low | 137 Ų | 137 | 141 Ų | 141 | 84% | 0.84 | 82% | 0.822 | S | S | * | * | trans | -94.2 | -171.8 | -171.5 | -22.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 557 | P | 47 | Very low | 34.4 | Very low | 108 Ų | 108 | 143.4 Ų | 143.4 | 70% | 0.701 | 82% | 0.819 | S | S | * | * | -117.5 | 164.8 | -112.4 | 40.9 | -24 | 0 | 0 | 0 | 113.9 | |||||
| 558 | V | 30.6 | Very low | 34.4 | Very low | 147 Ų | 147 | 141.9 Ų | 141.9 | 89% | 0.891 | 82% | 0.819 | S | S | * | * | trans | -149.6 | 135.7 | 155.2 | 177.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 559 | S | 33.4 | Very low | 34.4 | Very low | 118 Ų | 118 | 141.9 Ų | 141.9 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | trans | -44.1 | 153.1 | 168.8 | -59.5 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 560 | G | 29.8 | Very low | 34.3 | Very low | 78 Ų | 78 | 141.8 Ų | 141.8 | 80% | 0.804 | 83% | 0.826 | S | S | * | * | trans | -149.1 | 83.7 | 163.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 561 | A | 32.6 | Very low | 34.5 | Very low | 96 Ų | 96 | 142.3 Ų | 142.3 | 79% | 0.793 | 83% | 0.831 | S | S | * | * | trans | -88.9 | 124.6 | 162.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | Q563 | A561-Q563 PolarHBondContact O-N 3.2Š| ||
| 562 | L | 32.2 | Very low | 34.6 | Very low | 178 Ų | 178 | 142 Ų | 142 | 93% | 0.932 | 83% | 0.828 | S | S | * | * | trans | -74.7 | 115.4 | 171.8 | -88.7 | 94.7 | 0 | 0 | 0 | 109.5 | ||||
| 563 | Q | 33.1 | Very low | 34.5 | Very low | 187 Ų | 187 | 138.4 Ų | 138.4 | 87% | 0.874 | 82% | 0.822 | S | S | * | * | trans | -114.6 | 127.5 | 157.8 | -82.6 | -176.8 | -3.9 | 0 | 0 | 108.6 | A561 | A561-Q563 PolarHBondContact O-N 3.2Š| ||
| 564 | T | 38.4 | Very low | 34.7 | Very low | 129 Ų | 129 | 141.3 Ų | 141.3 | 79% | 0.791 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 140.5 | 171.3 | 46.5 | 0 | 0 | 0 | 0 | 111.1 | ||
| 565 | P | 41.4 | Very low | 34.6 | Very low | 127 Ų | 127 | 136 Ų | 136 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 116 | 175.7 | 31.5 | -28.2 | 0 | 0 | 0 | 111.7 | ||
| 566 | Q | 34.8 | Very low | 34.9 | Very low | 192 Ų | 192 | 136.4 Ų | 136.4 | 90% | 0.897 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -76 | 121.3 | 159.9 | -91.9 | -178.1 | -45.2 | 0 | 0 | 109.6 | ||
| 567 | R | 35.8 | Very low | 34.9 | Very low | 214 Ų | 214 | 136.4 Ų | 136.4 | 81% | 0.808 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 120.8 | 168 | -94.5 | 173.1 | 162.8 | -179.7 | -1.2 | 109.1 | F569 | R567-F569 HydrophobicContact CB-CD2 4.36Å; R567-F569 HydrophobicContact CB-CE2 4.4Å |
| 568 | N | 35.8 | Very low | 34.4 | Very low | 162 Ų | 162 | 141.4 Ų | 141.4 | 87% | 0.866 | 82% | 0.822 | S | S | * | * | trans | -79.6 | 111.4 | 164 | -73.1 | -28.9 | 0 | 0 | 0 | 109.3 | ||||
| 569 | F | 36.1 | Very low | 34.7 | Very low | 165 Ų | 165 | 139.2 Ų | 139.2 | 72% | 0.724 | 81% | 0.813 | S | S | * | * | trans | -112.2 | 113.6 | 158.5 | -81.1 | -75.4 | 0 | 0 | 0 | 108 | R567 | R567-F569 HydrophobicContact CB-CD2 4.36Å; R567-F569 HydrophobicContact CB-CE2 4.4Å | ||
| 570 | S | 34.6 | Very low | 35.2 | Very low | 119 Ų | 119 | 141.9 Ų | 141.9 | 83% | 0.832 | 81% | 0.812 | S | S | * | * | trans | -89 | 113.2 | 167.2 | -179.2 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 571 | M | 34.2 | Very low | 35.7 | Very low | 167 Ų | 167 | 147.1 Ų | 147.1 | 82% | 0.823 | 81% | 0.813 | S | S | * | * | trans | -125.3 | 95.2 | 164.9 | -81.4 | -178 | 60.5 | 0 | 0 | 107.3 | ||||
| 572 | A | 32.8 | Very low | 36.2 | Very low | 98 Ų | 98 | 148.8 Ų | 148.8 | 81% | 0.81 | 81% | 0.813 | S | S | * | * | trans | -89.1 | 123.4 | 161.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 573 | S | 31.3 | Very low | 36.9 | Very low | 99 Ų | 99 | 145.9 Ų | 145.9 | 69% | 0.692 | 80% | 0.803 | S | S | * | * | trans | -115.7 | 128.6 | 172.6 | -95.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 574 | V | 34.8 | Very low | 37 | Very low | 139 Ų | 139 | 148 Ų | 148 | 84% | 0.842 | 82% | 0.821 | S | S | * | * | trans | 70.6 | 106.4 | 139.6 | -169.7 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 575 | A | 33.3 | Very low | 37 | Very low | 98 Ų | 98 | 149 Ų | 149 | 81% | 0.81 | 82% | 0.822 | S | S | * | * | trans | -129.2 | 112 | 147.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 576 | S | 33.9 | Very low | 36.7 | Very low | 107 Ų | 107 | 150.2 Ų | 150.2 | 75% | 0.748 | 82% | 0.822 | S | S | * | * | trans | 11.6 | 119.8 | 148.2 | -163.5 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 577 | T | 37.8 | Very low | 36.9 | Very low | 137 Ų | 137 | 147.8 Ų | 147.8 | 84% | 0.84 | 82% | 0.818 | S | S | * | * | trans | -151.9 | 103.9 | 136.7 | -35.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 578 | Y | 35 | Very low | 36.9 | Very low | 213 Ų | 213 | 143.9 Ų | 143.9 | 84% | 0.835 | 82% | 0.818 | S | S | * | * | trans | -94.5 | 114.5 | 165.4 | -169.3 | -95.9 | 0 | 0 | 0 | 106.9 | ||||
| 579 | S | 38.5 | Very low | 37 | Very low | 100 Ų | 100 | 142.8 Ų | 142.8 | 70% | 0.699 | 82% | 0.815 | S | S | * | * | trans | -159.2 | 81.6 | 171.2 | -155.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 580 | E | 42.3 | Very low | 37 | Very low | 174 Ų | 174 | 141.3 Ų | 141.3 | 81% | 0.813 | 82% | 0.821 | S | S | * | * | trans | -95.5 | 115.4 | 162.7 | -81.8 | -174.3 | 160.4 | 0 | 0 | 109.2 | ||||
| 581 | F | 40.4 | Very low | 37.2 | Very low | 188 Ų | 188 | 142.9 Ų | 142.9 | 83% | 0.825 | 82% | 0.821 | S | S | * | * | trans | -132.3 | 147.5 | 159.9 | -100.4 | -83.5 | 0 | 0 | 0 | 107.4 | ||||
| 582 | V | 43.3 | Very low | 37.5 | Very low | 131 Ų | 131 | 141.1 Ų | 141.1 | 79% | 0.794 | 82% | 0.82 | S | S | * | * | trans | 115.7 | 90.8 | 176.9 | 179.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 583 | V | 47.4 | Very low | 37.8 | Very low | 118 Ų | 118 | 144.7 Ų | 144.7 | 72% | 0.715 | 82% | 0.821 | S | S | * | * | 64.1 | 133.1 | 66.7 | -174 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 584 | N | 36.2 | Very low | 38.4 | Very low | 232 Ų | 232 | 148.8 Ų | 148.8 | 100% | 1.241 | 83% | 0.833 | S | S | * | * | trans | -3.8 | 0 | 159.7 | -73.2 | -29.8 | 0 | 0 | 0 | 118.1 |
Retrieved 584 of 584 residues in 683.4 ms
(Link to these results)