| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 53.8 | Low | 80.9 | Confident | 208 Ų | 208 | 124.9 Ų | 124.9 | 100% | 1.025 | 59% | 0.587 | S | S | * | * | 0 | -51.1 | 0 | -126.9 | 171.9 | 82.5 | 0 | 0 | 113.1 | Y3 N4 L5 | M1-Y3 VanDerWaalsContact C-N 3.34Å; M1-Y3 PolarHBondContact O-N 2.97Å; M1-N4 PolarHBondContact O-N 2.99Å; M1-L5 PolarHBondContact O-N 3.47Å | |||
| 2 | K | 72.7 | Confident | 81.7 | Confident | 195 Ų | 195 | 120.4 Ų | 120.4 | 85% | 0.848 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -56.9 | -40.2 | -179.7 | -68.6 | -173.7 | 178.5 | -177.5 | 0 | 114.3 | L6 | K2-L6 PolarHBondContact O-N 3.48Å; K2-L6 VanDerWaalsContact O-N 3.1Å |
| 3 | Y | 78.2 | Confident | 82.6 | Confident | 168 Ų | 168 | 119.9 Ų | 119.9 | 66% | 0.659 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -65.1 | -50.9 | 179.7 | -175.4 | -100.1 | 0 | 0 | 0 | 113.1 | M1 L5 L6 V7 | M1-Y3 VanDerWaalsContact C-N 3.34Å; M1-Y3 PolarHBondContact O-N 2.97Å; Y3-L5 VanDerWaalsContact C-N 3.27Å; Y3-L5 PolarHBondContact O-N 3.1Å; Y3-L6 WeakPolarHBondContact O-CB 3.3Å; Y3-L6 PolarHBondContact O-N 3.05Å; Y3-L6 VanDerWaalsContact O-N 3.09Å; Y3-V7 HydrophobicContact CD1-CG2 4.06Å; Y3-V7 HydrophobicContact CE1-CG2 3.64Å; Y3-V7 HydrophobicContact CE2-CG2 4.23Å; Y3-V7 WeakPolarHBondContact O-CG2 3.2Å; Y3-V7 PolarHBondContact O-N 2.92Å |
| 4 | N | 76.6 | Confident | 83.4 | Confident | 92 Ų | 92 | 122.2 Ų | 122.2 | 49% | 0.492 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -61.1 | -37.2 | -179.9 | -62.7 | -5.4 | 0 | 0 | 0 | 112.2 | M1 Y8 | M1-N4 PolarHBondContact O-N 2.99Å; N4-Y8 WeakPolarHBondContact O-CB 3.25Å; N4-Y8 PolarHBondContact O-N 3.39Å |
| 5 | L | 79.5 | Confident | 84 | Confident | 94 Ų | 94 | 119.1 Ų | 119.1 | 49% | 0.492 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64.9 | -42.7 | 176 | -174.9 | 65.7 | 0 | 0 | 0 | 111 | M1 Y3 Y8 Y9 | M1-L5 PolarHBondContact O-N 3.47Å; Y3-L5 VanDerWaalsContact C-N 3.27Å; Y3-L5 PolarHBondContact O-N 3.1Å; L5-Y8 PolarHBondContact O-N 3.03Å; L5-Y9 HydrophobicContact CD1-CD2 4.03Å; L5-Y9 HydrophobicContact CD1-CE2 3.51Å; L5-Y9 HydrophobicContact CD2-CE2 3.97Å; L5-Y9 HydrophobicContact CG-CD2 3.78Å; L5-Y9 HydrophobicContact CG-CE2 3.49Å; L5-Y9 VanDerWaalsContact CG-CE2 3.49Å; L5-Y9 WeakPolarHBondContact O-CD2 3.21Å; L5-Y9 PolarHBondContact O-N 2.9Å |
| 6 | L | 85.7 | Confident | 84.6 | Confident | 97 Ų | 97 | 117.8 Ų | 117.8 | 51% | 0.508 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -62.1 | -48.9 | 176.4 | -172.4 | 71.5 | 0 | 0 | 0 | 111.5 | K2 Y3 Y8 Y9 D10 | K2-L6 PolarHBondContact O-N 3.48Å; K2-L6 VanDerWaalsContact O-N 3.1Å; Y3-L6 WeakPolarHBondContact O-CB 3.3Å; Y3-L6 PolarHBondContact O-N 3.05Å; Y3-L6 VanDerWaalsContact O-N 3.09Å; L6-Y8 VanDerWaalsContact C-N 3.26Å; L6-Y8 PolarHBondContact O-N 3.48Å; L6-Y9 WeakPolarHBondContact O-CB 3.47Å; L6-Y9 PolarHBondContact O-N 2.85Å; L6-Y9 VanDerWaalsContact O-N 3.07Å; L6-D10 VanDerWaalsContact O-CG 3.31Å; L6-D10 PolarHBondContact O-N 3.24Å |
| 7 | V | 86.9 | Confident | 85.1 | Confident | 66 Ų | 66 | 113.1 Ų | 113.1 | 40% | 0.4 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -59.4 | -39.6 | 177.7 | 174.4 | 0 | 0 | 0 | 0 | 111.4 | Y3 D10 L11 | Y3-V7 HydrophobicContact CD1-CG2 4.06Å; Y3-V7 HydrophobicContact CE1-CG2 3.64Å; Y3-V7 HydrophobicContact CE2-CG2 4.23Å; Y3-V7 WeakPolarHBondContact O-CG2 3.2Å; Y3-V7 PolarHBondContact O-N 2.92Å; V7-D10 PolarHBondContact O-N 3.42Å; V7-L11 WeakPolarHBondContact O-CB 3.38Å; V7-L11 PolarHBondContact O-N 3.5Å |
| 8 | Y | 84.4 | Confident | 85.5 | Confident | 133 Ų | 133 | 110.5 Ų | 110.5 | 52% | 0.522 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.1 | -46.2 | 174.4 | 176.4 | -99.7 | 0 | 0 | 0 | 111.7 | N4 L5 L6 D10 L11 M12 | N4-Y8 WeakPolarHBondContact O-CB 3.25Å; N4-Y8 PolarHBondContact O-N 3.39Å; L5-Y8 PolarHBondContact O-N 3.03Å; L6-Y8 VanDerWaalsContact C-N 3.26Å; L6-Y8 PolarHBondContact O-N 3.48Å; Y8-D10 PolarHBondContact O-N 3.27Å; Y8-L11 PolarHBondContact O-N 2.69Å; Y8-M12 HydrophobicContact CD1-CG 4.2Å; Y8-M12 HydrophobicContact CD2-CG 4.35Å; Y8-M12 HydrophobicContact CE1-CG 3.76Å; Y8-M12 HydrophobicContact CE2-CG 3.91Å; Y8-M12 HydrophobicContact CE2-SD 4.1Å; Y8-M12 HydrophobicContact CG-CG 4.48Å; Y8-M12 WeakPolarHBondContact O-CB 3.39Å; Y8-M12 VanDerWaalsContact O-CG 3.27Å; Y8-M12 WeakPolarHBondContact O-CG 3.28Å; Y8-M12 PolarHBondContact O-N 3Å |
| 9 | Y | 90 | Very high | 85.9 | Confident | 133 Ų | 133 | 108.2 Ų | 108.2 | 52% | 0.522 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60.5 | -43.9 | 175.3 | -82.6 | -65.7 | 0 | 0 | 0 | 112.2 | L5 L6 L11 M12 L13 | L5-Y9 HydrophobicContact CD1-CD2 4.03Å; L5-Y9 HydrophobicContact CD1-CE2 3.51Å; L5-Y9 HydrophobicContact CD2-CE2 3.97Å; L5-Y9 HydrophobicContact CG-CD2 3.78Å; L5-Y9 HydrophobicContact CG-CE2 3.49Å; L5-Y9 VanDerWaalsContact CG-CE2 3.49Å; L5-Y9 WeakPolarHBondContact O-CD2 3.21Å; L5-Y9 PolarHBondContact O-N 2.9Å; L6-Y9 WeakPolarHBondContact O-CB 3.47Å; L6-Y9 PolarHBondContact O-N 2.85Å; L6-Y9 VanDerWaalsContact O-N 3.07Å; Y9-L11 PolarHBondContact O-N 3.41Å; Y9-M12 PolarHBondContact O-N 2.99Å; Y9-L13 WeakPolarHBondContact O-CB 3.46Å; Y9-L13 VanDerWaalsContact O-CG 3.26Å; Y9-L13 WeakPolarHBondContact O-CG 3.31Å; Y9-L13 PolarHBondContact O-N 2.89Å |
| 10 | D | 91.8 | Very high | 86.4 | Confident | 87 Ų | 87 | 107.7 Ų | 107.7 | 47% | 0.465 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.2 | -43.2 | 177.9 | -67.2 | -21.2 | 0 | 0 | 0 | 111.3 | L6 V7 Y8 L13 Y14 | L6-D10 VanDerWaalsContact O-CG 3.31Å; L6-D10 PolarHBondContact O-N 3.24Å; V7-D10 PolarHBondContact O-N 3.42Å; Y8-D10 PolarHBondContact O-N 3.27Å; D10-L13 PolarHBondContact O-N 3.03Å; D10-Y14 WeakPolarHBondContact O-CB 3.46Å; D10-Y14 PolarHBondContact O-N 2.67Å |
| 11 | L | 90.1 | Very high | 86.8 | Confident | 101 Ų | 101 | 108.4 Ų | 108.4 | 53% | 0.529 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.9 | -44 | 175.5 | -175.5 | 69.5 | 0 | 0 | 0 | 111.3 | V7 Y8 Y9 Y14 V15 | V7-L11 WeakPolarHBondContact O-CB 3.38Å; V7-L11 PolarHBondContact O-N 3.5Å; Y8-L11 PolarHBondContact O-N 2.69Å; Y9-L11 PolarHBondContact O-N 3.41Å; L11-Y14 WeakPolarHBondContact O-CB 3.36Å; L11-Y14 PolarHBondContact O-N 3.22Å; L11-V15 VanDerWaalsContact O-CG2 3.31Å; L11-V15 WeakPolarHBondContact O-CG2 3.35Å; L11-V15 PolarHBondContact O-N 3.1Å |
| 12 | M | 90.7 | Very high | 88.7 | Confident | 71 Ų | 71 | 103 Ų | 103 | 35% | 0.35 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.1 | -41.7 | 178.3 | -72.2 | -56.8 | -59.8 | 0 | 0 | 111.8 | Y8 Y9 Y14 V15 L16 | Y8-M12 HydrophobicContact CD1-CG 4.2Å; Y8-M12 HydrophobicContact CD2-CG 4.35Å; Y8-M12 HydrophobicContact CE1-CG 3.76Å; Y8-M12 HydrophobicContact CE2-CG 3.91Å; Y8-M12 HydrophobicContact CE2-SD 4.1Å; Y8-M12 HydrophobicContact CG-CG 4.48Å; Y8-M12 WeakPolarHBondContact O-CB 3.39Å; Y8-M12 VanDerWaalsContact O-CG 3.27Å; Y8-M12 WeakPolarHBondContact O-CG 3.28Å; Y8-M12 PolarHBondContact O-N 3Å; Y9-M12 PolarHBondContact O-N 2.99Å; M12-Y14 VanDerWaalsContact C-N 3.33Å; M12-V15 PolarHBondContact O-N 3.36Å; M12-L16 WeakPolarHBondContact O-CB 3.4Å; M12-L16 VanDerWaalsContact O-CG 3.26Å; M12-L16 WeakPolarHBondContact O-CG 3.5Å; M12-L16 PolarHBondContact O-N 2.87Å |
| 13 | L | 93.9 | Very high | 89.8 | Confident | 114 Ų | 114 | 96.9 Ų | 96.9 | 60% | 0.597 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.3 | -40 | 174.6 | -72.7 | 171.9 | 0 | 0 | 0 | 111.4 | Y9 D10 G17 | Y9-L13 WeakPolarHBondContact O-CB 3.46Å; Y9-L13 VanDerWaalsContact O-CG 3.26Å; Y9-L13 WeakPolarHBondContact O-CG 3.31Å; Y9-L13 PolarHBondContact O-N 2.89Å; D10-L13 PolarHBondContact O-N 3.03Å; L13-G17 PolarHBondContact O-N 3.26Å |
| 14 | Y | 92.8 | Very high | 90.6 | Very high | 152 Ų | 152 | 93.8 Ų | 93.8 | 60% | 0.596 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.7 | -49.4 | 174.2 | 177.8 | -98.3 | 0 | 0 | 0 | 111.8 | D10 L11 M12 L16 G17 M18 | D10-Y14 WeakPolarHBondContact O-CB 3.46Å; D10-Y14 PolarHBondContact O-N 2.67Å; L11-Y14 WeakPolarHBondContact O-CB 3.36Å; L11-Y14 PolarHBondContact O-N 3.22Å; M12-Y14 VanDerWaalsContact C-N 3.33Å; Y14-L16 VanDerWaalsContact C-N 3.35Å; Y14-L16 PolarHBondContact O-N 3.02Å; Y14-G17 PolarHBondContact O-N 3.4Å; Y14-M18 HydrophobicContact CD1-CG 4.29Å; Y14-M18 HydrophobicContact CD2-CG 4.44Å; Y14-M18 HydrophobicContact CE1-CG 3.87Å; Y14-M18 HydrophobicContact CE2-CG 4.03Å; Y14-M18 HydrophobicContact CE2-SD 4.21Å; Y14-M18 WeakPolarHBondContact O-CG 3.43Å; Y14-M18 PolarHBondContact O-N 3.31Å |
| 15 | V | 92.5 | Very high | 91.5 | Very high | 75 Ų | 75 | 91.7 Ų | 91.7 | 46% | 0.455 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.6 | -44.4 | 178.2 | 171.5 | 0 | 0 | 0 | 0 | 111 | L11 M12 M18 S19 | L11-V15 VanDerWaalsContact O-CG2 3.31Å; L11-V15 WeakPolarHBondContact O-CG2 3.35Å; L11-V15 PolarHBondContact O-N 3.1Å; M12-V15 PolarHBondContact O-N 3.36Å; V15-M18 PolarHBondContact O-N 2.94Å; V15-S19 VanDerWaalsContact O-CB 3.31Å; V15-S19 WeakPolarHBondContact O-CB 3.08Å; V15-S19 PolarHBondContact O-N 3.2Å; V15-S19 PolarHBondContact O-OG 3.43Å |
| 16 | L | 93.5 | Very high | 92.2 | Very high | 98 Ų | 98 | 90.9 Ų | 90.9 | 51% | 0.513 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.5 | -46.5 | 175.3 | -75.5 | 168.6 | 0 | 0 | 0 | 111.3 | M12 Y14 M18 S19 V20 | M12-L16 WeakPolarHBondContact O-CB 3.4Å; M12-L16 VanDerWaalsContact O-CG 3.26Å; M12-L16 WeakPolarHBondContact O-CG 3.5Å; M12-L16 PolarHBondContact O-N 2.87Å; Y14-L16 VanDerWaalsContact C-N 3.35Å; Y14-L16 PolarHBondContact O-N 3.02Å; L16-M18 PolarHBondContact O-N 3.33Å; L16-S19 WeakPolarHBondContact CA-OG 3.36Å; L16-S19 PolarHBondContact O-N 2.92Å; L16-S19 PolarHBondContact O-OG 3.16Å; L16-V20 WeakPolarHBondContact O-CG2 3.41Å; L16-V20 PolarHBondContact O-N 3.2Å |
| 17 | G | 94.4 | Very high | 92.6 | Very high | 39 Ų | 39 | 92.4 Ų | 92.4 | 40% | 0.402 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -55.9 | -48.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | L13 Y14 S19 V20 F21 | L13-G17 PolarHBondContact O-N 3.26Å; Y14-G17 PolarHBondContact O-N 3.4Å; G17-S19 PolarHBondContact O-N 3.23Å; G17-V20 PolarHBondContact O-N 3.41Å; G17-F21 WeakPolarHBondContact O-CB 3.23Å; G17-F21 PolarHBondContact O-N 3.01Å |
| 18 | M | 92.2 | Very high | 93 | Very high | 66 Ų | 66 | 92.6 Ų | 92.6 | 33% | 0.325 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.2 | -38.2 | 177.1 | -65.5 | -55.6 | -67.6 | 0 | 0 | 112.3 | Y14 V15 L16 V20 F21 I22 | Y14-M18 HydrophobicContact CD1-CG 4.29Å; Y14-M18 HydrophobicContact CD2-CG 4.44Å; Y14-M18 HydrophobicContact CE1-CG 3.87Å; Y14-M18 HydrophobicContact CE2-CG 4.03Å; Y14-M18 HydrophobicContact CE2-SD 4.21Å; Y14-M18 WeakPolarHBondContact O-CG 3.43Å; Y14-M18 PolarHBondContact O-N 3.31Å; V15-M18 PolarHBondContact O-N 2.94Å; L16-M18 PolarHBondContact O-N 3.33Å; M18-V20 PolarHBondContact O-N 3.07Å; M18-F21 PolarHBondContact O-N 3.43Å; M18-I22 HydrophobicContact CB-CD1 4.49Å; M18-I22 HydrophobicContact CE-CD1 3.96Å; M18-I22 HydrophobicContact CE-CG1 4.2Å; M18-I22 WeakPolarHBondContact O-CB 3.48Å; M18-I22 WeakPolarHBondContact O-CG1 3.4Å; M18-I22 PolarHBondContact O-N 2.89Å |
| 19 | S | 93.1 | Very high | 93.2 | Very high | 66 Ų | 66 | 92 Ų | 92 | 46% | 0.462 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.8 | -23.1 | 178.5 | 76 | 0 | 0 | 0 | 0 | 113.8 | V15 L16 G17 P23 | V15-S19 VanDerWaalsContact O-CB 3.31Å; V15-S19 WeakPolarHBondContact O-CB 3.08Å; V15-S19 PolarHBondContact O-N 3.2Å; V15-S19 PolarHBondContact O-OG 3.43Å; L16-S19 WeakPolarHBondContact CA-OG 3.36Å; L16-S19 PolarHBondContact O-N 2.92Å; L16-S19 PolarHBondContact O-OG 3.16Å; G17-S19 PolarHBondContact O-N 3.23Å; S19-P23 WeakPolarHBondContact O-CD 2.85Å; S19-P23 WeakPolarHBondContact O-CG 3.36Å |
| 20 | V | 94.8 | Very high | 93.3 | Very high | 98 Ų | 98 | 88.9 Ų | 88.9 | 59% | 0.594 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -93.1 | -42.7 | 174 | 176.6 | 0 | 0 | 0 | 0 | 110.7 | L16 G17 M18 P23 L24 | L16-V20 WeakPolarHBondContact O-CG2 3.41Å; L16-V20 PolarHBondContact O-N 3.2Å; G17-V20 PolarHBondContact O-N 3.41Å; M18-V20 PolarHBondContact O-N 3.07Å; V20-P23 WeakPolarHBondContact O-CD 3.06Å; V20-L24 VanDerWaalsContact O-CB 3.23Å; V20-L24 WeakPolarHBondContact O-CB 3.35Å; V20-L24 PolarHBondContact O-N 3.43Å; V20-L24 VanDerWaalsContact O-N 3.08Å |
| 21 | F | 94.6 | Very high | 93.3 | Very high | 124 Ų | 124 | 91.6 Ų | 91.6 | 54% | 0.544 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.1 | -45.7 | -176.5 | 179.5 | -102.3 | 0 | 0 | 0 | 112.8 | G17 M18 L24 C25 | G17-F21 WeakPolarHBondContact O-CB 3.23Å; G17-F21 PolarHBondContact O-N 3.01Å; M18-F21 PolarHBondContact O-N 3.43Å; F21-L24 PolarHBondContact O-N 3.27Å; F21-C25 VanDerWaalsContact CZ-SG 3.54Å; F21-C25 PolarHBondContact O-N 3.4Å; F21-C25 PolarHBondContact O-SG 3.38Å |
| 22 | I | 94.6 | Very high | 93.1 | Very high | 93 Ų | 93 | 92.3 Ų | 92.3 | 48% | 0.477 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.4 | -52.7 | -177.6 | -63.8 | 168.4 | 0 | 0 | 0 | 110.8 | M18 L24 C25 V26 | M18-I22 HydrophobicContact CB-CD1 4.49Å; M18-I22 HydrophobicContact CE-CD1 3.96Å; M18-I22 HydrophobicContact CE-CG1 4.2Å; M18-I22 WeakPolarHBondContact O-CB 3.48Å; M18-I22 WeakPolarHBondContact O-CG1 3.4Å; M18-I22 PolarHBondContact O-N 2.89Å; I22-L24 VanDerWaalsContact C-N 3.3Å; I22-L24 PolarHBondContact O-N 3.08Å; I22-C25 PolarHBondContact O-N 3.34Å; I22-V26 WeakPolarHBondContact O-CG2 3.15Å; I22-V26 PolarHBondContact O-N 3.23Å |
| 23 | P | 95.6 | Very high | 92.8 | Very high | 67 Ų | 67 | 94.3 Ų | 94.3 | 44% | 0.435 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.7 | -36.3 | 177.1 | -25.8 | 37.9 | 0 | 0 | 0 | 112.9 | S19 V20 C25 V26 M27 | S19-P23 WeakPolarHBondContact O-CD 2.85Å; S19-P23 WeakPolarHBondContact O-CG 3.36Å; V20-P23 WeakPolarHBondContact O-CD 3.06Å; P23-C25 PolarHBondContact O-N 2.68Å; P23-V26 PolarHBondContact O-N 3.27Å; P23-M27 WeakPolarHBondContact O-CB 3.38Å; P23-M27 VanDerWaalsContact O-CG 3.23Å; P23-M27 WeakPolarHBondContact O-CG 3.37Å; P23-M27 PolarHBondContact O-N 3.2Å |
| 24 | L | 95.8 | Very high | 92.4 | Very high | 103 Ų | 103 | 96 Ų | 96 | 54% | 0.539 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.4 | -46.4 | 175.5 | -178.2 | 68.3 | 0 | 0 | 0 | 111.5 | V20 F21 I22 V26 M27 V28 | V20-L24 VanDerWaalsContact O-CB 3.23Å; V20-L24 WeakPolarHBondContact O-CB 3.35Å; V20-L24 PolarHBondContact O-N 3.43Å; V20-L24 VanDerWaalsContact O-N 3.08Å; F21-L24 PolarHBondContact O-N 3.27Å; I22-L24 VanDerWaalsContact C-N 3.3Å; I22-L24 PolarHBondContact O-N 3.08Å; L24-V26 VanDerWaalsContact C-N 3.33Å; L24-V26 PolarHBondContact O-N 3.3Å; L24-M27 PolarHBondContact O-N 2.99Å; L24-V28 WeakPolarHBondContact O-CG2 3.19Å; L24-V28 PolarHBondContact O-N 3.21Å |
| 25 | C | 94.6 | Very high | 92 | Very high | 49 Ų | 49 | 92.8 Ų | 92.8 | 33% | 0.331 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.9 | -44.4 | 175.9 | -67.3 | 0 | 0 | 0 | 0 | 111.4 | F21 I22 P23 M27 V28 M29 | F21-C25 VanDerWaalsContact CZ-SG 3.54Å; F21-C25 PolarHBondContact O-N 3.4Å; F21-C25 PolarHBondContact O-SG 3.38Å; I22-C25 PolarHBondContact O-N 3.34Å; P23-C25 PolarHBondContact O-N 2.68Å; C25-M27 PolarHBondContact O-N 3.4Å; C25-V28 PolarHBondContact O-N 3.47Å; C25-M29 WeakPolarHBondContact O-CG 3.23Å; C25-M29 PolarHBondContact O-N 3.45Å |
| 26 | V | 94.5 | Very high | 91.4 | Very high | 76 Ų | 76 | 91.5 Ų | 91.5 | 46% | 0.461 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.1 | -43.3 | 177 | 174.8 | 0 | 0 | 0 | 0 | 111.1 | I22 P23 L24 V28 M29 C30 | I22-V26 WeakPolarHBondContact O-CG2 3.15Å; I22-V26 PolarHBondContact O-N 3.23Å; P23-V26 PolarHBondContact O-N 3.27Å; L24-V26 VanDerWaalsContact C-N 3.33Å; L24-V26 PolarHBondContact O-N 3.3Å; V26-V28 VanDerWaalsContact C-N 3.35Å; V26-V28 PolarHBondContact O-N 3.32Å; V26-M29 PolarHBondContact O-N 3.48Å; V26-C30 WeakPolarHBondContact O-CB 3.36Å; V26-C30 PolarHBondContact O-N 2.91Å; V26-C30 PolarHBondContact O-SG 2.94Å |
| 27 | M | 93.4 | Very high | 90.7 | Very high | 129 Ų | 129 | 94.4 Ų | 94.4 | 64% | 0.635 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63 | -40.4 | 177.5 | -71.6 | -61.6 | -67.6 | 0 | 0 | 112 | P23 L24 C25 C30 Y31 | P23-M27 WeakPolarHBondContact O-CB 3.38Å; P23-M27 VanDerWaalsContact O-CG 3.23Å; P23-M27 WeakPolarHBondContact O-CG 3.37Å; P23-M27 PolarHBondContact O-N 3.2Å; L24-M27 PolarHBondContact O-N 2.99Å; C25-M27 PolarHBondContact O-N 3.4Å; M27-C30 PolarHBondContact O-N 3.22Å; M27-Y31 WeakPolarHBondContact O-CB 3.44Å; M27-Y31 PolarHBondContact O-N 3.5Å |
| 28 | V | 95 | Very high | 89.9 | Confident | 70 Ų | 70 | 99.8 Ų | 99.8 | 42% | 0.424 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.3 | -44.4 | 174 | 172 | 0 | 0 | 0 | 0 | 110.7 | L24 C25 V26 Y31 Q32 | L24-V28 WeakPolarHBondContact O-CG2 3.19Å; L24-V28 PolarHBondContact O-N 3.21Å; C25-V28 PolarHBondContact O-N 3.47Å; V26-V28 VanDerWaalsContact C-N 3.35Å; V26-V28 PolarHBondContact O-N 3.32Å; V28-Y31 PolarHBondContact O-N 2.87Å; V28-Q32 VanDerWaalsContact O-CG 3.31Å; V28-Q32 WeakPolarHBondContact O-CG 3.26Å; V28-Q32 PolarHBondContact O-N 3.4Å |
| 29 | M | 90.1 | Very high | 88.9 | Confident | 121 Ų | 121 | 100.6 Ų | 100.6 | 60% | 0.596 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63 | -43.6 | 176.3 | -69.7 | -176.9 | 98.1 | 0 | 0 | 111.8 | C25 V26 Y31 Q32 M33 | C25-M29 WeakPolarHBondContact O-CG 3.23Å; C25-M29 PolarHBondContact O-N 3.45Å; V26-M29 PolarHBondContact O-N 3.48Å; M29-Y31 VanDerWaalsContact C-N 3.35Å; M29-Y31 PolarHBondContact O-N 3.31Å; M29-Q32 PolarHBondContact O-N 2.98Å; M29-M33 WeakPolarHBondContact O-CG 3.44Å; M29-M33 PolarHBondContact O-N 3.35Å |
| 30 | C | 91.8 | Very high | 87.7 | Confident | 68 Ų | 68 | 103.5 Ų | 103.5 | 46% | 0.459 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.6 | -41.5 | 175.8 | -71.9 | 0 | 0 | 0 | 0 | 112 | V26 M27 M33 Y34 | V26-C30 WeakPolarHBondContact O-CB 3.36Å; V26-C30 PolarHBondContact O-N 2.91Å; V26-C30 PolarHBondContact O-SG 2.94Å; M27-C30 PolarHBondContact O-N 3.22Å; C30-M33 PolarHBondContact O-N 3.08Å; C30-Y34 PolarHBondContact O-N 2.93Å |
| 31 | Y | 90.7 | Very high | 86.3 | Confident | 143 Ų | 143 | 104.5 Ų | 104.5 | 56% | 0.561 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.8 | -45.2 | 175.9 | 178.9 | -109.2 | 0 | 0 | 0 | 111.5 | M27 V28 M29 M33 Y34 E35 | M27-Y31 WeakPolarHBondContact O-CB 3.44Å; M27-Y31 PolarHBondContact O-N 3.5Å; V28-Y31 PolarHBondContact O-N 2.87Å; M29-Y31 VanDerWaalsContact C-N 3.35Å; M29-Y31 PolarHBondContact O-N 3.31Å; Y31-M33 VanDerWaalsContact C-N 3.32Å; Y31-M33 PolarHBondContact O-N 3.02Å; Y31-Y34 WeakPolarHBondContact O-CB 3.23Å; Y31-Y34 PolarHBondContact O-N 3.46Å; Y31-E35 HydrophobicContact CE1-CG 4.12Å; Y31-E35 HydrophobicContact CE2-CG 3.99Å; Y31-E35 WeakPolarHBondContact CE2-OE1 3.48Å; Y31-E35 PolarHBondContact O-N 3.31Å; Y31-E35 PolarHBondContact OH-OE1 2.96Å |
| 32 | Q | 86.2 | Confident | 85 | Confident | 116 Ų | 116 | 106.4 Ų | 106.4 | 54% | 0.542 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -61 | -40.4 | 174.7 | -72.5 | 174.4 | -18.3 | 0 | 0 | 112.2 | V28 M29 S36 | V28-Q32 VanDerWaalsContact O-CG 3.31Å; V28-Q32 WeakPolarHBondContact O-CG 3.26Å; V28-Q32 PolarHBondContact O-N 3.4Å; M29-Q32 PolarHBondContact O-N 2.98Å; Q32-S36 WeakPolarHBondContact O-CB 3.29Å; Q32-S36 PolarHBondContact O-N 3.49Å |
| 33 | M | 84.3 | Confident | 83.7 | Confident | 113 Ų | 113 | 108.5 Ų | 108.5 | 56% | 0.557 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -62.9 | -44.1 | 174 | -75.5 | -175.6 | 69.7 | 0 | 0 | 111.7 | M29 C30 Y31 S36 F37 | M29-M33 WeakPolarHBondContact O-CG 3.44Å; M29-M33 PolarHBondContact O-N 3.35Å; C30-M33 PolarHBondContact O-N 3.08Å; Y31-M33 VanDerWaalsContact C-N 3.32Å; Y31-M33 PolarHBondContact O-N 3.02Å; M33-S36 WeakPolarHBondContact CA-OG 3.41Å; M33-S36 PolarHBondContact O-N 3.26Å; M33-S36 PolarHBondContact O-OG 2.82Å; M33-F37 WeakPolarHBondContact O-CD2 3.5Å; M33-F37 PolarHBondContact O-N 3.22Å |
| 34 | Y | 87.1 | Confident | 82.3 | Confident | 151 Ų | 151 | 110.5 Ų | 110.5 | 59% | 0.592 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -58.3 | -49.6 | 177.9 | 178.8 | -102.5 | 0 | 0 | 0 | 112.3 | C30 Y31 S36 F37 | C30-Y34 PolarHBondContact O-N 2.93Å; Y31-Y34 WeakPolarHBondContact O-CB 3.23Å; Y31-Y34 PolarHBondContact O-N 3.46Å; Y34-S36 VanDerWaalsContact C-N 3.29Å; Y34-S36 PolarHBondContact O-N 2.82Å; Y34-F37 PolarHBondContact O-N 3.45Å |
| 35 | E | 83.9 | Confident | 81.1 | Confident | 83 Ų | 83 | 111.1 Ų | 111.1 | 39% | 0.388 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -63 | -36 | 177.2 | -66.4 | -66.8 | 158.5 | 0 | 0 | 111.8 | Y31 F37 Q38 | Y31-E35 HydrophobicContact CE1-CG 4.12Å; Y31-E35 HydrophobicContact CE2-CG 3.99Å; Y31-E35 WeakPolarHBondContact CE2-OE1 3.48Å; Y31-E35 PolarHBondContact O-N 3.31Å; Y31-E35 PolarHBondContact OH-OE1 2.96Å; E35-F37 PolarHBondContact O-N 3.28Å; E35-Q38 PolarHBondContact O-N 3.03Å; E35-Q38 VanDerWaalsContact O-N 3.16Å |
| 36 | S | 80.4 | Confident | 80.2 | Confident | 48 Ų | 48 | 115.9 Ų | 115.9 | 34% | 0.336 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -65.9 | -21.5 | 178.6 | 77.5 | 0 | 0 | 0 | 0 | 114.1 | Q32 M33 Y34 Q38 V39 | Q32-S36 WeakPolarHBondContact O-CB 3.29Å; Q32-S36 PolarHBondContact O-N 3.49Å; M33-S36 WeakPolarHBondContact CA-OG 3.41Å; M33-S36 PolarHBondContact O-N 3.26Å; M33-S36 PolarHBondContact O-OG 2.82Å; Y34-S36 VanDerWaalsContact C-N 3.29Å; Y34-S36 PolarHBondContact O-N 2.82Å; S36-Q38 VanDerWaalsContact C-N 3.27Å; S36-Q38 PolarHBondContact O-N 3.27Å; S36-V39 PolarHBondContact O-N 2.91Å |
| 37 | F | 78.4 | Confident | 79.8 | Confident | 160 Ų | 160 | 115.4 Ų | 115.4 | 70% | 0.702 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.2 | -26.7 | 174.5 | -78 | -75.7 | 0 | 0 | 0 | 113 | M33 Y34 E35 | M33-F37 WeakPolarHBondContact O-CD2 3.5Å; M33-F37 PolarHBondContact O-N 3.22Å; Y34-F37 PolarHBondContact O-N 3.45Å; E35-F37 PolarHBondContact O-N 3.28Å |
| 38 | Q | 76.2 | Confident | 79.7 | Confident | 152 Ų | 152 | 118.9 Ų | 118.9 | 71% | 0.71 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.5 | -9.6 | -178.7 | -60.8 | -61.9 | -39.4 | 0 | 0 | 112.7 | E35 S36 | E35-Q38 PolarHBondContact O-N 3.03Å; E35-Q38 VanDerWaalsContact O-N 3.16Å; S36-Q38 VanDerWaalsContact C-N 3.27Å; S36-Q38 PolarHBondContact O-N 3.27Å |
| 39 | V | 72.8 | Confident | 79.5 | Confident | 83 Ų | 83 | 121.9 Ų | 121.9 | 50% | 0.503 | 62% | 0.623 | S | S | . | * | S | Bend | trans | -132.7 | 121.4 | -173.4 | -173.9 | 0 | 0 | 0 | 0 | 110.4 | S36 M41 | S36-V39 PolarHBondContact O-N 2.91Å; V39-M41 VanDerWaalsContact C-N 3.3Å; V39-M41 HydrophobicContact CB-CG 4.2Å; V39-M41 HydrophobicContact CG1-CG 3.68Å; V39-M41 PolarHBondContact O-N 3.42Å |
| 40 | S | 67.6 | Low | 79.6 | Confident | 126 Ų | 126 | 120.4 Ų | 120.4 | 88% | 0.881 | 62% | 0.617 | S | S | * | * | trans | -73.5 | 86.1 | 167.8 | 46.4 | 0 | 0 | 0 | 0 | 109.8 | I42 | S40-I42 PolarHBondContact O-N 3.11Š| ||
| 41 | M | 64.4 | Low | 79.7 | Confident | 119 Ų | 119 | 120.3 Ų | 120.3 | 59% | 0.586 | 61% | 0.61 | S | S | * | * | trans | -80.5 | 117.5 | 176.1 | -69.4 | -164.8 | -78.9 | 0 | 0 | 110.3 | V39 I43 | V39-M41 VanDerWaalsContact C-N 3.3Å; V39-M41 HydrophobicContact CB-CG 4.2Å; V39-M41 HydrophobicContact CG1-CG 3.68Å; V39-M41 PolarHBondContact O-N 3.42Å; M41-I43 VanDerWaalsContact C-N 3.28Å; M41-I43 HydrophobicContact CB-CG1 4.25Å; M41-I43 PolarHBondContact O-N 2.98Å | ||
| 42 | I | 68.5 | Low | 79.9 | Confident | 165 Ų | 165 | 119.6 Ų | 119.6 | 85% | 0.846 | 61% | 0.61 | S | S | * | * | trans | -74 | 91.2 | 159 | -59.4 | 171.6 | 0 | 0 | 0 | 105.7 | S40 P44 | S40-I42 PolarHBondContact O-N 3.11Å; I42-P44 VanDerWaalsContact O-CD 3.3Å; I42-P44 WeakPolarHBondContact O-CD 3.49Å | ||
| 43 | I | 66.2 | Low | 80.3 | Confident | 137 Ų | 137 | 117.2 Ų | 117.2 | 70% | 0.703 | 60% | 0.603 | S | S | * | * | trans | -66.5 | 117.8 | 174.4 | -55.1 | 173.1 | 0 | 0 | 0 | 106.1 | M41 S45 | M41-I43 VanDerWaalsContact C-N 3.28Å; M41-I43 HydrophobicContact CB-CG1 4.25Å; M41-I43 PolarHBondContact O-N 2.98Å; I43-S45 PolarHBondContact O-N 3.47Å | ||
| 44 | P | 66.8 | Low | 80.8 | Confident | 109 Ų | 109 | 118.5 Ų | 118.5 | 71% | 0.708 | 60% | 0.602 | S | S | * | * | trans | -57.3 | 143.3 | 173.6 | 23.4 | -30.7 | 0 | 0 | 0 | 108.8 | I42 | I42-P44 VanDerWaalsContact O-CD 3.3Å; I42-P44 WeakPolarHBondContact O-CD 3.49Å | ||
| 45 | S | 69.6 | Low | 81.2 | Confident | 115 Ų | 115 | 115 Ų | 115 | 80% | 0.804 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -39.7 | 147.2 | -178 | 57.3 | 0 | 0 | 0 | 0 | 113.6 | I43 | I43-S45 PolarHBondContact O-N 3.47Š|
| 46 | E | 77.4 | Confident | 81.8 | Confident | 150 Ų | 150 | 115.5 Ų | 115.5 | 70% | 0.701 | 60% | 0.601 | S | S | * | * | trans | -24.6 | 131.6 | 175.3 | -63.6 | 171.5 | 175.9 | 0 | 0 | 115 | R48 | E46-R48 VanDerWaalsContact C-N 3.35Å; E46-R48 PolarHBondContact O-N 3.33Å | ||
| 47 | S | 85.8 | Confident | 82.6 | Confident | 65 Ų | 65 | 117 Ų | 117 | 46% | 0.455 | 61% | 0.608 | S | S | . | * | trans | -83 | 82.2 | 175.3 | -175.2 | 0 | 0 | 0 | 0 | 110.2 | L49 L50 E51 | S47-L49 PolarHBondContact O-N 3.32Å; S47-L49 VanDerWaalsContact O-N 3.1Å; S47-L50 WeakPolarHBondContact O-CB 3.37Å; S47-L50 PolarHBondContact O-N 3.4Å; S47-L50 WeakPolarHBondContact OG-CB 3.31Å; S47-L50 PolarHBondContact OG-N 3.28Å; S47-E51 PolarHBondContact O-N 2.94Å | ||
| 48 | R | 90.2 | Very high | 83.4 | Confident | 203 Ų | 203 | 112.4 Ų | 112.4 | 77% | 0.766 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -52.8 | -33.8 | 178.5 | -71.4 | -167.9 | -81.7 | 170.7 | -7.6 | 113.6 | E46 F52 | E46-R48 VanDerWaalsContact C-N 3.35Å; E46-R48 PolarHBondContact O-N 3.33Å; R48-F52 WeakPolarHBondContact O-CB 3.37Å; R48-F52 PolarHBondContact O-N 2.93Å |
| 49 | L | 92.4 | Very high | 84.4 | Confident | 133 Ų | 133 | 108.2 Ų | 108.2 | 70% | 0.696 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -70.6 | -42.1 | 177.7 | -175.1 | 142.6 | 0 | 0 | 0 | 111.7 | S47 E51 F52 V53 | S47-L49 PolarHBondContact O-N 3.32Å; S47-L49 VanDerWaalsContact O-N 3.1Å; L49-E51 VanDerWaalsContact C-N 3.34Å; L49-F52 PolarHBondContact O-N 3.48Å; L49-V53 HydrophobicContact CD2-CG2 4.17Å; L49-V53 VanDerWaalsContact O-CG2 3.25Å; L49-V53 WeakPolarHBondContact O-CG2 3.48Å; L49-V53 PolarHBondContact O-N 3.03Å |
| 50 | L | 91.6 | Very high | 85.5 | Confident | 89 Ų | 89 | 110.8 Ų | 110.8 | 47% | 0.466 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -64.6 | -42.6 | 177.6 | -177.1 | 66.7 | 0 | 0 | 0 | 110.6 | S47 F52 V53 W54 | S47-L50 WeakPolarHBondContact O-CB 3.37Å; S47-L50 PolarHBondContact O-N 3.4Å; S47-L50 WeakPolarHBondContact OG-CB 3.31Å; S47-L50 PolarHBondContact OG-N 3.28Å; L50-F52 PolarHBondContact O-N 3.47Å; L50-V53 PolarHBondContact O-N 3.34Å; L50-W54 HydrophobicContact CB-CE3 4.45Å; L50-W54 HydrophobicContact CB-CZ3 4.32Å; L50-W54 HydrophobicContact CD1-CE3 4.13Å; L50-W54 HydrophobicContact CD1-CZ3 4.41Å; L50-W54 HydrophobicContact CD2-CE3 3.93Å; L50-W54 HydrophobicContact CD2-CH2 4.26Å; L50-W54 HydrophobicContact CD2-CZ3 3.36Å; L50-W54 HydrophobicContact CG-CD2 4.46Å; L50-W54 HydrophobicContact CG-CE3 3.46Å; L50-W54 VanDerWaalsContact CG-CE3 3.46Å; L50-W54 HydrophobicContact CG-CH2 4.35Å; L50-W54 HydrophobicContact CG-CZ3 3.39Å; L50-W54 PolarHBondContact O-N 3.3Å |
| 51 | E | 92.6 | Very high | 86.9 | Confident | 66 Ų | 66 | 110.4 Ų | 110.4 | 31% | 0.308 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -57.7 | -47.1 | 173.9 | -81.3 | 165.8 | -157.3 | 0 | 0 | 113.3 | S47 L49 W54 T55 | S47-E51 PolarHBondContact O-N 2.94Å; L49-E51 VanDerWaalsContact C-N 3.34Å; E51-W54 VanDerWaalsContact CA-CE2 3.42Å; E51-W54 HydrophobicContact CB-CZ2 4.06Å; E51-W54 HydrophobicContact CG-CH2 3.77Å; E51-W54 HydrophobicContact CG-CZ2 3.2Å; E51-W54 PolarHBondContact O-NE1 3.43Å; E51-T55 VanDerWaalsContact O-CB 3.28Å; E51-T55 WeakPolarHBondContact O-CB 3.35Å; E51-T55 PolarHBondContact O-N 3.36Å; E51-T55 VanDerWaalsContact O-N 3.1Å; E51-T55 PolarHBondContact O-OG1 3.18Å |
| 52 | F | 94.8 | Very high | 88.4 | Confident | 129 Ų | 129 | 109.3 Ų | 109.3 | 57% | 0.566 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -61 | -48.2 | 176 | 178.9 | -102.2 | 0 | 0 | 0 | 111.3 | R48 L49 L50 T55 L56 | R48-F52 WeakPolarHBondContact O-CB 3.37Å; R48-F52 PolarHBondContact O-N 2.93Å; L49-F52 PolarHBondContact O-N 3.48Å; L50-F52 PolarHBondContact O-N 3.47Å; F52-T55 PolarHBondContact O-N 2.83Å; F52-L56 HydrophobicContact CE1-CD2 3.84Å; F52-L56 HydrophobicContact CZ-CD1 4.37Å; F52-L56 HydrophobicContact CZ-CD2 4.03Å; F52-L56 WeakPolarHBondContact O-CB 2.99Å; F52-L56 PolarHBondContact O-N 2.8Å |
| 53 | V | 96.3 | Very high | 89.7 | Confident | 65 Ų | 65 | 107.1 Ų | 107.1 | 39% | 0.394 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -63.1 | -47.9 | -178 | 171.3 | 0 | 0 | 0 | 0 | 111.4 | L49 L50 T55 L56 V57 | L49-V53 HydrophobicContact CD2-CG2 4.17Å; L49-V53 VanDerWaalsContact O-CG2 3.25Å; L49-V53 WeakPolarHBondContact O-CG2 3.48Å; L49-V53 PolarHBondContact O-N 3.03Å; L50-V53 PolarHBondContact O-N 3.34Å; V53-T55 PolarHBondContact O-N 2.88Å; V53-L56 PolarHBondContact O-N 3.48Å; V53-V57 HydrophobicContact CG1-CG2 4.3Å; V53-V57 WeakPolarHBondContact O-CB 3.49Å; V53-V57 WeakPolarHBondContact O-CG2 3.4Å; V53-V57 PolarHBondContact O-N 3.34Å |
| 54 | W | 94.6 | Very high | 91.2 | Very high | 141 Ų | 141 | 103.3 Ų | 103.3 | 53% | 0.534 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -72.2 | -13 | -179.9 | 74.5 | 43.8 | 0 | 0 | 0 | 113.5 | L50 E51 P58 | L50-W54 HydrophobicContact CB-CE3 4.45Å; L50-W54 HydrophobicContact CB-CZ3 4.32Å; L50-W54 HydrophobicContact CD1-CE3 4.13Å; L50-W54 HydrophobicContact CD1-CZ3 4.41Å; L50-W54 HydrophobicContact CD2-CE3 3.93Å; L50-W54 HydrophobicContact CD2-CH2 4.26Å; L50-W54 HydrophobicContact CD2-CZ3 3.36Å; L50-W54 HydrophobicContact CG-CD2 4.46Å; L50-W54 HydrophobicContact CG-CE3 3.46Å; L50-W54 VanDerWaalsContact CG-CE3 3.46Å; L50-W54 HydrophobicContact CG-CH2 4.35Å; L50-W54 HydrophobicContact CG-CZ3 3.39Å; L50-W54 PolarHBondContact O-N 3.3Å; E51-W54 VanDerWaalsContact CA-CE2 3.42Å; E51-W54 HydrophobicContact CB-CZ2 4.06Å; E51-W54 HydrophobicContact CG-CH2 3.77Å; E51-W54 HydrophobicContact CG-CZ2 3.2Å; E51-W54 PolarHBondContact O-NE1 3.43Å; W54-P58 WeakPolarHBondContact O-CD 3.41Å; W54-P58 WeakPolarHBondContact O-CG 3.49Å |
| 55 | T | 95.7 | Very high | 92.5 | Very high | 78 Ų | 78 | 103.1 Ų | 103.1 | 48% | 0.479 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -91.1 | -40.9 | 174.6 | -57 | 0 | 0 | 0 | 0 | 109.9 | E51 F52 V53 S59 | E51-T55 VanDerWaalsContact O-CB 3.28Å; E51-T55 WeakPolarHBondContact O-CB 3.35Å; E51-T55 PolarHBondContact O-N 3.36Å; E51-T55 VanDerWaalsContact O-N 3.1Å; E51-T55 PolarHBondContact O-OG1 3.18Å; F52-T55 PolarHBondContact O-N 2.83Å; V53-T55 PolarHBondContact O-N 2.88Å; T55-S59 VanDerWaalsContact O-CB 3.23Å; T55-S59 WeakPolarHBondContact O-CB 3.26Å; T55-S59 PolarHBondContact O-N 2.88Å; T55-S59 PolarHBondContact O-OG 3.44Å |
| 56 | L | 96.5 | Very high | 93.7 | Very high | 93 Ų | 93 | 100.7 Ų | 100.7 | 49% | 0.487 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.5 | -46 | -179.7 | -173.3 | 73.1 | 0 | 0 | 0 | 111.6 | F52 V53 S59 F60 | F52-L56 HydrophobicContact CE1-CD2 3.84Å; F52-L56 HydrophobicContact CZ-CD1 4.37Å; F52-L56 HydrophobicContact CZ-CD2 4.03Å; F52-L56 WeakPolarHBondContact O-CB 2.99Å; F52-L56 PolarHBondContact O-N 2.8Å; V53-L56 PolarHBondContact O-N 3.48Å; L56-S59 PolarHBondContact O-N 2.92Å; L56-F60 WeakPolarHBondContact O-CB 3.38Å; L56-F60 PolarHBondContact O-N 2.88Å |
| 57 | V | 96.6 | Very high | 94.5 | Very high | 78 Ų | 78 | 99.9 Ų | 99.9 | 47% | 0.473 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.7 | -53.8 | -176 | 169.2 | 0 | 0 | 0 | 0 | 111.9 | V53 S59 F60 M61 | V53-V57 HydrophobicContact CG1-CG2 4.3Å; V53-V57 WeakPolarHBondContact O-CB 3.49Å; V53-V57 WeakPolarHBondContact O-CG2 3.4Å; V53-V57 PolarHBondContact O-N 3.34Å; V57-S59 VanDerWaalsContact C-N 3.33Å; V57-S59 PolarHBondContact O-N 3.41Å; V57-F60 PolarHBondContact O-N 3.18Å; V57-M61 HydrophobicContact CG1-SD 4.27Å; V57-M61 WeakPolarHBondContact O-CG 3.38Å; V57-M61 PolarHBondContact O-N 2.94Å |
| 58 | P | 95.4 | Very high | 95 | Very high | 65 Ų | 65 | 102.7 Ų | 102.7 | 42% | 0.422 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.3 | -39 | 175.6 | -26.2 | 38 | 0 | 0 | 0 | 113 | W54 F60 M61 V62 | W54-P58 WeakPolarHBondContact O-CD 3.41Å; W54-P58 WeakPolarHBondContact O-CG 3.49Å; P58-F60 VanDerWaalsContact C-N 3.32Å; P58-F60 PolarHBondContact O-N 2.86Å; P58-M61 PolarHBondContact O-N 3.1Å; P58-V62 WeakPolarHBondContact O-CG2 3.43Å; P58-V62 PolarHBondContact O-N 2.83Å |
| 59 | S | 95.9 | Very high | 95 | Very high | 63 Ų | 63 | 98.1 Ų | 98.1 | 44% | 0.441 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.1 | -44.2 | 177.5 | -63.8 | 0 | 0 | 0 | 0 | 111.3 | T55 L56 V57 V62 L63 | T55-S59 VanDerWaalsContact O-CB 3.23Å; T55-S59 WeakPolarHBondContact O-CB 3.26Å; T55-S59 PolarHBondContact O-N 2.88Å; T55-S59 PolarHBondContact O-OG 3.44Å; L56-S59 PolarHBondContact O-N 2.92Å; V57-S59 VanDerWaalsContact C-N 3.33Å; V57-S59 PolarHBondContact O-N 3.41Å; S59-V62 PolarHBondContact O-N 3.39Å; S59-L63 WeakPolarHBondContact O-CG 3.32Å; S59-L63 PolarHBondContact O-N 3.23Å; S59-L63 VanDerWaalsContact O-N 3.08Å |
| 60 | F | 97.2 | Very high | 95 | Very high | 137 Ų | 137 | 96.6 Ų | 96.6 | 60% | 0.601 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.3 | -42.6 | 174.9 | -176 | -100.6 | 0 | 0 | 0 | 112.1 | L56 V57 P58 V62 L63 V64 | L56-F60 WeakPolarHBondContact O-CB 3.38Å; L56-F60 PolarHBondContact O-N 2.88Å; V57-F60 PolarHBondContact O-N 3.18Å; P58-F60 VanDerWaalsContact C-N 3.32Å; P58-F60 PolarHBondContact O-N 2.86Å; F60-V62 VanDerWaalsContact C-N 3.34Å; F60-V62 PolarHBondContact O-N 3.34Å; F60-L63 WeakPolarHBondContact O-CB 3.41Å; F60-L63 PolarHBondContact O-N 3.43Å; F60-V64 HydrophobicContact CD1-CG2 4.16Å; F60-V64 HydrophobicContact CE1-CG2 3.75Å; F60-V64 HydrophobicContact CZ-CG2 3.94Å; F60-V64 WeakPolarHBondContact O-CG2 3.31Å; F60-V64 PolarHBondContact O-N 3.4Å |
| 61 | M | 96.1 | Very high | 94.9 | Very high | 119 Ų | 119 | 99.4 Ų | 99.4 | 59% | 0.586 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.2 | -42.4 | 176.2 | -69 | 179.5 | 111.6 | 0 | 0 | 112.1 | V57 P58 L63 V64 L65 | V57-M61 HydrophobicContact CG1-SD 4.27Å; V57-M61 WeakPolarHBondContact O-CG 3.38Å; V57-M61 PolarHBondContact O-N 2.94Å; P58-M61 PolarHBondContact O-N 3.1Å; M61-L63 VanDerWaalsContact C-N 3.34Å; M61-L63 PolarHBondContact O-N 3.49Å; M61-V64 PolarHBondContact O-N 2.94Å; M61-L65 WeakPolarHBondContact O-CG 3.11Å; M61-L65 PolarHBondContact O-N 3.09Å |
| 62 | V | 96 | Very high | 94.7 | Very high | 95 Ų | 95 | 102.9 Ų | 102.9 | 58% | 0.576 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.1 | -40.5 | 176.1 | 171.6 | 0 | 0 | 0 | 0 | 111.3 | P58 S59 F60 L65 C66 | P58-V62 WeakPolarHBondContact O-CG2 3.43Å; P58-V62 PolarHBondContact O-N 2.83Å; S59-V62 PolarHBondContact O-N 3.39Å; F60-V62 VanDerWaalsContact C-N 3.34Å; F60-V62 PolarHBondContact O-N 3.34Å; V62-L65 PolarHBondContact O-N 3.31Å; V62-C66 VanDerWaalsContact O-CB 3.29Å; V62-C66 WeakPolarHBondContact O-CB 3.4Å; V62-C66 PolarHBondContact O-N 3.25Å |
| 63 | L | 96.6 | Very high | 94.2 | Very high | 120 Ų | 120 | 101.9 Ų | 101.9 | 63% | 0.628 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.9 | -43.7 | 175.5 | -72.2 | 173 | 0 | 0 | 0 | 112 | S59 F60 M61 C66 F67 | S59-L63 WeakPolarHBondContact O-CG 3.32Å; S59-L63 PolarHBondContact O-N 3.23Å; S59-L63 VanDerWaalsContact O-N 3.08Å; F60-L63 WeakPolarHBondContact O-CB 3.41Å; F60-L63 PolarHBondContact O-N 3.43Å; M61-L63 VanDerWaalsContact C-N 3.34Å; M61-L63 PolarHBondContact O-N 3.49Å; L63-C66 WeakPolarHBondContact O-CB 3.41Å; L63-C66 PolarHBondContact O-N 3.07Å; L63-F67 PolarHBondContact O-N 2.87Å |
| 64 | V | 96.6 | Very high | 93.7 | Very high | 56 Ų | 56 | 103.1 Ų | 103.1 | 34% | 0.339 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.5 | -46.6 | 176.2 | 172.9 | 0 | 0 | 0 | 0 | 110.7 | F60 M61 C66 F67 F68 | F60-V64 HydrophobicContact CD1-CG2 4.16Å; F60-V64 HydrophobicContact CE1-CG2 3.75Å; F60-V64 HydrophobicContact CZ-CG2 3.94Å; F60-V64 WeakPolarHBondContact O-CG2 3.31Å; F60-V64 PolarHBondContact O-N 3.4Å; M61-V64 PolarHBondContact O-N 2.94Å; V64-C66 PolarHBondContact O-N 2.9Å; V64-F67 PolarHBondContact O-N 3.42Å; V64-F68 HydrophobicContact CG1-CD2 3.79Å; V64-F68 HydrophobicContact CG1-CE2 3.48Å; V64-F68 VanDerWaalsContact CG1-CE2 3.48Å; V64-F68 WeakPolarHBondContact O-CD2 3.46Å; V64-F68 PolarHBondContact O-N 3.32Å |
| 65 | L | 94.4 | Very high | 93.1 | Very high | 106 Ų | 106 | 103.3 Ų | 103.3 | 56% | 0.555 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.4 | -42.9 | 176.1 | -71.9 | 172.8 | 0 | 0 | 0 | 111.9 | M61 V62 F67 F68 N69 | M61-L65 WeakPolarHBondContact O-CG 3.11Å; M61-L65 PolarHBondContact O-N 3.09Å; V62-L65 PolarHBondContact O-N 3.31Å; L65-F67 PolarHBondContact O-N 3.07Å; L65-F68 PolarHBondContact O-N 3.41Å; L65-N69 WeakPolarHBondContact O-CB 3.4Å; L65-N69 PolarHBondContact O-N 3.42Å; L65-N69 PolarHBondContact O-ND2 2.84Å |
| 66 | C | 94.8 | Very high | 92.2 | Very high | 64 Ų | 64 | 105.2 Ų | 105.2 | 43% | 0.432 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -58.4 | -46.9 | 177 | -177.3 | 0 | 0 | 0 | 0 | 111.3 | V62 L63 V64 F68 N69 L70 | V62-C66 VanDerWaalsContact O-CB 3.29Å; V62-C66 WeakPolarHBondContact O-CB 3.4Å; V62-C66 PolarHBondContact O-N 3.25Å; L63-C66 WeakPolarHBondContact O-CB 3.41Å; L63-C66 PolarHBondContact O-N 3.07Å; V64-C66 PolarHBondContact O-N 2.9Å; C66-F68 PolarHBondContact O-N 2.99Å; C66-N69 PolarHBondContact O-N 3.41Å; C66-L70 WeakPolarHBondContact O-CG 3.1Å; C66-L70 PolarHBondContact O-N 2.83Å |
| 67 | F | 95.3 | Very high | 91 | Very high | 133 Ų | 133 | 104.6 Ų | 104.6 | 58% | 0.583 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -57.5 | -48.2 | 177.7 | 176.6 | -98.6 | 0 | 0 | 0 | 112.4 | L63 V64 L65 K71 | L63-F67 PolarHBondContact O-N 2.87Å; V64-F67 PolarHBondContact O-N 3.42Å; L65-F67 PolarHBondContact O-N 3.07Å; F67-K71 PolarHBondContact O-N 2.7Å; F67-K71 VanDerWaalsContact O-N 3.11Å |
| 68 | F | 94.5 | Very high | 89.4 | Confident | 124 Ų | 124 | 105.6 Ų | 105.6 | 54% | 0.544 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -67 | -38.9 | 178.6 | -72 | -62 | 0 | 0 | 0 | 112.8 | V64 L65 C66 K71 Y72 | V64-F68 HydrophobicContact CG1-CD2 3.79Å; V64-F68 HydrophobicContact CG1-CE2 3.48Å; V64-F68 VanDerWaalsContact CG1-CE2 3.48Å; V64-F68 WeakPolarHBondContact O-CD2 3.46Å; V64-F68 PolarHBondContact O-N 3.32Å; L65-F68 PolarHBondContact O-N 3.41Å; C66-F68 PolarHBondContact O-N 2.99Å; F68-K71 PolarHBondContact O-N 3.21Å; F68-Y72 PolarHBondContact O-N 3.27Å |
| 69 | N | 91.4 | Very high | 88.1 | Confident | 106 Ų | 106 | 106.7 Ų | 106.7 | 57% | 0.567 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -63.4 | -44.7 | 176.9 | -85.3 | -76.1 | 0 | 0 | 0 | 112 | L65 C66 K71 Y72 L73 | L65-N69 WeakPolarHBondContact O-CB 3.4Å; L65-N69 PolarHBondContact O-N 3.42Å; L65-N69 PolarHBondContact O-ND2 2.84Å; C66-N69 PolarHBondContact O-N 3.41Å; N69-K71 PolarHBondContact O-N 3.48Å; N69-Y72 PolarHBondContact O-N 3.44Å; N69-L73 WeakPolarHBondContact O-CB 3.37Å; N69-L73 PolarHBondContact O-N 3.25Å |
| 70 | L | 92 | Very high | 86.6 | Confident | 102 Ų | 102 | 107.2 Ų | 107.2 | 53% | 0.534 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.2 | -43.3 | 176.9 | -73.5 | 172.4 | 0 | 0 | 0 | 111.7 | C66 Y72 L73 V74 | C66-L70 WeakPolarHBondContact O-CG 3.1Å; C66-L70 PolarHBondContact O-N 2.83Å; L70-Y72 VanDerWaalsContact C-N 3.31Å; L70-Y72 PolarHBondContact O-N 3.02Å; L70-L73 PolarHBondContact O-N 2.87Å; L70-V74 WeakPolarHBondContact O-CG2 3.27Å; L70-V74 PolarHBondContact O-N 3.27Å |
| 71 | K | 89.9 | Confident | 85.6 | Confident | 147 Ų | 147 | 104.2 Ų | 104.2 | 64% | 0.639 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -58.6 | -44 | 175.9 | -175.6 | 178.5 | 179.4 | 179.3 | 0 | 111.7 | F67 F68 N69 Y75 | F67-K71 PolarHBondContact O-N 2.7Å; F67-K71 VanDerWaalsContact O-N 3.11Å; F68-K71 PolarHBondContact O-N 3.21Å; N69-K71 PolarHBondContact O-N 3.48Å; K71-Y75 PolarHBondContact O-N 3.36Å |
| 72 | Y | 87.8 | Confident | 84.9 | Confident | 139 Ų | 139 | 103.1 Ų | 103.1 | 55% | 0.545 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.3 | -47.9 | 177.3 | -174.8 | -86.1 | 0 | 0 | 0 | 111.6 | F68 N69 L70 V74 Y75 Y76 | F68-Y72 PolarHBondContact O-N 3.27Å; N69-Y72 PolarHBondContact O-N 3.44Å; L70-Y72 VanDerWaalsContact C-N 3.31Å; L70-Y72 PolarHBondContact O-N 3.02Å; Y72-V74 PolarHBondContact O-N 3.44Å; Y72-Y75 PolarHBondContact O-N 3.3Å; Y72-Y76 AromaticContact CD1-CD2 3.73Å; Y72-Y76 HydrophobicContact CD1-CD2 3.73Å; Y72-Y76 HydrophobicContact CD1-CE2 4.28Å; Y72-Y76 AromaticContact CD2-CD2 3.85Å; Y72-Y76 HydrophobicContact CD2-CD2 3.85Å; Y72-Y76 AromaticContact CD2-CE2 3.61Å; Y72-Y76 HydrophobicContact CD2-CE2 3.61Å; Y72-Y76 AromaticContact CE1-CD2 3.39Å; Y72-Y76 HydrophobicContact CE1-CD2 3.39Å; Y72-Y76 AromaticContact CE1-CE2 3.79Å; Y72-Y76 HydrophobicContact CE1-CE2 3.79Å; Y72-Y76 HydrophobicContact CE1-CG 4.01Å; Y72-Y76 AromaticContact CE2-CD2 3.55Å; Y72-Y76 HydrophobicContact CE2-CD2 3.55Å; Y72-Y76 AromaticContact CE2-CE2 3.06Å; Y72-Y76 HydrophobicContact CE2-CE2 3.06Å; Y72-Y76 AromaticContact CE2-CZ 3.87Å; Y72-Y76 AromaticContact CG-CD2 3.94Å; Y72-Y76 HydrophobicContact CG-CD2 3.94Å; Y72-Y76 HydrophobicContact CG-CE2 4.19Å; Y72-Y76 AromaticContact CZ-CD2 3.29Å; Y72-Y76 AromaticContact CZ-CE2 3.14Å; Y72-Y76 AromaticContact CZ-CZ 3.78Å; Y72-Y76 WeakPolarHBondContact O-CD2 3.39Å; Y72-Y76 PolarHBondContact O-N 3.32Å; Y72-Y76 WeakPolarHBondContact OH-CE2 3.31Å |
| 73 | L | 85.3 | Confident | 84.6 | Confident | 108 Ų | 108 | 101.3 Ų | 101.3 | 57% | 0.565 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -58 | -47.9 | -179.3 | -173.9 | 154.8 | 0 | 0 | 0 | 111.4 | N69 L70 Y75 Y76 S77 | N69-L73 WeakPolarHBondContact O-CB 3.37Å; N69-L73 PolarHBondContact O-N 3.25Å; L70-L73 PolarHBondContact O-N 2.87Å; L73-Y75 VanDerWaalsContact C-N 3.33Å; L73-Y75 PolarHBondContact O-N 2.98Å; L73-Y76 PolarHBondContact O-N 3.43Å; L73-S77 WeakPolarHBondContact O-CB 3.19Å; L73-S77 PolarHBondContact O-N 3.24Å; L73-S77 PolarHBondContact O-OG 2.96Å |
| 74 | V | 84.6 | Confident | 84.5 | Confident | 91 Ų | 91 | 98.3 Ų | 98.3 | 55% | 0.552 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -59.7 | -45.5 | 178.8 | 172.3 | 0 | 0 | 0 | 0 | 110.7 | L70 Y72 Y76 S77 | L70-V74 WeakPolarHBondContact O-CG2 3.27Å; L70-V74 PolarHBondContact O-N 3.27Å; Y72-V74 PolarHBondContact O-N 3.44Å; V74-Y76 PolarHBondContact O-N 3.23Å; V74-S77 PolarHBondContact O-OG 3.2Å |
| 75 | Y | 82.4 | Confident | 84.5 | Confident | 145 Ų | 145 | 95.7 Ų | 95.7 | 57% | 0.569 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -60.1 | -44.7 | 179 | -177.5 | -95.2 | 0 | 0 | 0 | 112.7 | K71 Y72 L73 F79 | K71-Y75 PolarHBondContact O-N 3.36Å; Y72-Y75 PolarHBondContact O-N 3.3Å; L73-Y75 VanDerWaalsContact C-N 3.33Å; L73-Y75 PolarHBondContact O-N 2.98Å; Y75-F79 HydrophobicContact CD1-CE2 4.03Å; Y75-F79 AromaticContact CE1-CE2 3.77Å; Y75-F79 HydrophobicContact CE1-CE2 3.77Å; Y75-F79 HydrophobicContact CE1-CZ 4.05Å; Y75-F79 VanDerWaalsContact O-CD2 3.31Å; Y75-F79 WeakPolarHBondContact O-CD2 3.46Å; Y75-F79 VanDerWaalsContact O-CE2 3.24Å; Y75-F79 WeakPolarHBondContact O-CE2 3.24Å |
| 76 | Y | 77.6 | Confident | 84.7 | Confident | 118 Ų | 118 | 94.2 Ų | 94.2 | 46% | 0.463 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -82.6 | -27.6 | -177.4 | -79.7 | -85 | 0 | 0 | 0 | 114.2 | Y72 L73 V74 S78 F79 | Y72-Y76 AromaticContact CD1-CD2 3.73Å; Y72-Y76 HydrophobicContact CD1-CD2 3.73Å; Y72-Y76 HydrophobicContact CD1-CE2 4.28Å; Y72-Y76 AromaticContact CD2-CD2 3.85Å; Y72-Y76 HydrophobicContact CD2-CD2 3.85Å; Y72-Y76 AromaticContact CD2-CE2 3.61Å; Y72-Y76 HydrophobicContact CD2-CE2 3.61Å; Y72-Y76 AromaticContact CE1-CD2 3.39Å; Y72-Y76 HydrophobicContact CE1-CD2 3.39Å; Y72-Y76 AromaticContact CE1-CE2 3.79Å; Y72-Y76 HydrophobicContact CE1-CE2 3.79Å; Y72-Y76 HydrophobicContact CE1-CG 4.01Å; Y72-Y76 AromaticContact CE2-CD2 3.55Å; Y72-Y76 HydrophobicContact CE2-CD2 3.55Å; Y72-Y76 AromaticContact CE2-CE2 3.06Å; Y72-Y76 HydrophobicContact CE2-CE2 3.06Å; Y72-Y76 AromaticContact CE2-CZ 3.87Å; Y72-Y76 AromaticContact CG-CD2 3.94Å; Y72-Y76 HydrophobicContact CG-CD2 3.94Å; Y72-Y76 HydrophobicContact CG-CE2 4.19Å; Y72-Y76 AromaticContact CZ-CD2 3.29Å; Y72-Y76 AromaticContact CZ-CE2 3.14Å; Y72-Y76 AromaticContact CZ-CZ 3.78Å; Y72-Y76 WeakPolarHBondContact O-CD2 3.39Å; Y72-Y76 PolarHBondContact O-N 3.32Å; Y72-Y76 WeakPolarHBondContact OH-CE2 3.31Å; L73-Y76 PolarHBondContact O-N 3.43Å; V74-Y76 PolarHBondContact O-N 3.23Å; Y76-S78 PolarHBondContact O-N 2.83Å; Y76-F79 HydrophobicContact CD1-CD2 4.41Å; Y76-F79 HydrophobicContact CD1-CE2 4.47Å; Y76-F79 PolarHBondContact O-N 3.44Å |
| 77 | S | 71.4 | Confident | 84.8 | Confident | 80 Ų | 80 | 91.1 Ų | 91.1 | 56% | 0.559 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -63.4 | -25.3 | 179.8 | 68 | 0 | 0 | 0 | 0 | 113.6 | L73 V74 F79 | L73-S77 WeakPolarHBondContact O-CB 3.19Å; L73-S77 PolarHBondContact O-N 3.24Å; L73-S77 PolarHBondContact O-OG 2.96Å; V74-S77 PolarHBondContact O-OG 3.2Å; S77-F79 VanDerWaalsContact C-N 3.29Å; S77-F79 PolarHBondContact O-N 3.32Å |
| 78 | S | 62.6 | Low | 85 | Confident | 99 Ų | 99 | 86.2 Ų | 86.2 | 69% | 0.692 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | 0.1 | 179.5 | -56.6 | 0 | 0 | 0 | 0 | 114.6 | Y76 C80 | Y76-S78 PolarHBondContact O-N 2.83Å; S78-C80 PolarHBondContact O-N 3.12Å; S78-C80 VanDerWaalsContact O-N 3.12Å |
| 79 | F | 66.7 | Low | 85.1 | Confident | 88 Ų | 88 | 80.3 Ų | 80.3 | 39% | 0.386 | 42% | 0.415 | S | S | . | . | trans | -83.7 | 85.4 | -179.9 | -78.6 | -94.4 | 0 | 0 | 0 | 111.9 | Y75 Y76 S77 F81 | Y75-F79 HydrophobicContact CD1-CE2 4.03Å; Y75-F79 AromaticContact CE1-CE2 3.77Å; Y75-F79 HydrophobicContact CE1-CE2 3.77Å; Y75-F79 HydrophobicContact CE1-CZ 4.05Å; Y75-F79 VanDerWaalsContact O-CD2 3.31Å; Y75-F79 WeakPolarHBondContact O-CD2 3.46Å; Y75-F79 VanDerWaalsContact O-CE2 3.24Å; Y75-F79 WeakPolarHBondContact O-CE2 3.24Å; Y76-F79 HydrophobicContact CD1-CD2 4.41Å; Y76-F79 HydrophobicContact CD1-CE2 4.47Å; Y76-F79 PolarHBondContact O-N 3.44Å; S77-F79 VanDerWaalsContact C-N 3.29Å; S77-F79 PolarHBondContact O-N 3.32Å; F79-F81 HydrophobicContact CD1-CE1 4.28Å; F79-F81 HydrophobicContact CD1-CZ 4.41Å | ||
| 80 | C | 65.8 | Low | 85.4 | Confident | 74 Ų | 74 | 76.8 Ų | 76.8 | 50% | 0.5 | 40% | 0.395 | S | S | . | . | trans | -106.2 | 121.6 | 153.2 | -65.4 | 0 | 0 | 0 | 0 | 108.4 | S78 S128 C158 | S78-C80 PolarHBondContact O-N 3.12Å; S78-C80 VanDerWaalsContact O-N 3.12Å; C80-S128 VanDerWaalsContact C-OG 3.26Å; C80-S128 WeakPolarHBondContact CA-OG 3.21Å; C80-S128 WeakPolarHBondContact CB-OG 3.49Å; C80-C158 WeakPolarHBondContact CB-SG 3.36Å; C80-C158 WeakPolarHBondContact SG-CB 3.38Å; C80-C158 CovalentContact SG-SG 2.07Å; C80-C158 PolarHBondContact SG-SG 2.96Å | ||
| 81 | F | 75.2 | Confident | 85.6 | Confident | 74 Ų | 74 | 76.1 Ų | 76.1 | 33% | 0.325 | 39% | 0.39 | S | S | . | . | trans | -73.7 | 169 | 173.4 | -60.5 | -63.7 | 0 | 0 | 0 | 113.3 | F79 D83 P126 Y127 S128 | F79-F81 HydrophobicContact CD1-CE1 4.28Å; F79-F81 HydrophobicContact CD1-CZ 4.41Å; F81-D83 PolarHBondContact O-N 2.86Å; F81-P126 HydrophobicContact CB-CB 3.84Å; F81-P126 HydrophobicContact CD1-CB 3.65Å; F81-P126 HydrophobicContact CD2-CB 4.02Å; F81-P126 HydrophobicContact CE1-CB 4.17Å; F81-P126 HydrophobicContact CE2-CB 4.5Å; F81-P126 HydrophobicContact CG-CB 3.58Å; F81-Y127 WeakPolarHBondContact CD2-O 3.49Å; F81-S128 WeakPolarHBondContact CA-OG 3.47Å; F81-S128 PolarHBondContact N-OG 2.69Å; F81-S128 PolarHBondContact O-OG 2.86Å | ||
| 82 | S | 81.3 | Confident | 85.8 | Confident | 97 Ų | 97 | 72.4 Ų | 72.4 | 68% | 0.678 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -70.9 | -22.5 | -168.1 | 50.8 | 0 | 0 | 0 | 0 | 116.1 | P84 | S82-P84 WeakPolarHBondContact O-CD 3.48Š|
| 83 | D | 90.5 | Very high | 86.2 | Confident | 56 Ų | 56 | 68.5 Ų | 68.5 | 30% | 0.299 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 92.7 | -175.7 | -72.5 | -36.2 | 0 | 0 | 0 | 111.4 | F81 Y127 S128 | F81-D83 PolarHBondContact O-N 2.86Å; D83-Y127 HydrophobicContact CB-CD1 3.71Å; D83-Y127 HydrophobicContact CB-CE1 4.03Å; D83-Y127 WeakPolarHBondContact O-CA 3.4Å; D83-S128 PolarHBondContact O-N 3.3Å |
| 84 | P | 94.6 | Very high | 86.8 | Confident | 57 Ų | 57 | 63.3 Ų | 63.3 | 37% | 0.37 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 136.2 | 179.4 | 30 | -34.9 | 0 | 0 | 0 | 111.4 | S82 S99 S128 L130 | S82-P84 WeakPolarHBondContact O-CD 3.48Å; P84-S99 WeakPolarHBondContact O-CB 3.18Å; P84-S99 PolarHBondContact O-N 3.44Å; P84-S128 CarbonylContact C-O 3.47Å; P84-S128 VanDerWaalsContact CA-O 3.31Å; P84-S128 WeakPolarHBondContact CA-O 3.39Å; P84-L130 HydrophobicContact CB-CD1 3.85Å; P84-L130 HydrophobicContact CB-CG 4.3Å |
| 85 | V | 96.8 | Very high | 87.5 | Confident | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.006 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 112.9 | 169.4 | 175.9 | 0 | 0 | 0 | 0 | 106.7 | V87 E97 L119 L121 Y127 S128 L129 L130 | V85-V87 HydrophobicContact CG1-CG2 4.46Å; V85-E97 CarbonylContact C-O 3.56Å; V85-E97 WeakPolarHBondContact CA-O 3.07Å; V85-L119 HydrophobicContact CG1-CD1 3.88Å; V85-L121 HydrophobicContact CG2-CD2 4.11Å; V85-Y127 HydrophobicContact CG2-CD1 3.73Å; V85-Y127 HydrophobicContact CG2-CE1 4.28Å; V85-Y127 HydrophobicContact CG2-CG 4.49Å; V85-S128 PolarHBondContact N-O 3.16Å; V85-L129 HydrophobicContact CB-CD2 3.77Å; V85-L129 HydrophobicContact CG1-CD2 4.15Å; V85-L129 HydrophobicContact CG2-CD2 4.45Å; V85-L129 CarbonylContact O-C 3.55Å; V85-L129 VanDerWaalsContact O-CA 3.29Å; V85-L129 WeakPolarHBondContact O-CA 3.15Å; V85-L130 PolarHBondContact O-N 2.7Å |
| 86 | K | 97.4 | Very high | 88.3 | Confident | 75 Ų | 75 | 52.9 Ų | 52.9 | 33% | 0.326 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 130.1 | 179 | 174.3 | 179.8 | 175 | -172.2 | 0 | 109.7 | M88 Y96 E97 L130 | K86-M88 HydrophobicContact CD-CG 4.37Å; K86-M88 HydrophobicContact CD-SD 4.32Å; K86-M88 WeakPolarHBondContact CE-SD 3.17Å; K86-M88 HydrophobicContact CG-CG 4.05Å; K86-M88 HydrophobicContact CG-SD 4.26Å; K86-Y96 WeakPolarHBondContact O-CA 3.43Å; K86-E97 HydrophobicContact CB-CB 4.06Å; K86-E97 HydrophobicContact CB-CG 4.49Å; K86-E97 PolarHBondContact N-O 2.81Å; K86-E97 IonicContact NZ-OE2 2.69Å; K86-E97 PolarHBondContact O-N 2.82Å; K86-L130 CarbonylContact C-O 3.49Å; K86-L130 WeakPolarHBondContact CA-O 3.08Å; K86-L130 HydrophobicContact CB-CB 4.33Å |
| 87 | V | 98.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 119.6 | -179.2 | -177.8 | 0 | 0 | 0 | 0 | 107.9 | V85 W94 Y96 L119 L129 L130 V131 T132 F140 | V85-V87 HydrophobicContact CG1-CG2 4.46Å; V87-W94 HydrophobicContact CG1-CE3 3.78Å; V87-W94 HydrophobicContact CG1-CZ3 4.08Å; V87-Y96 HydrophobicContact CB-CD1 4.38Å; V87-Y96 HydrophobicContact CB-CE1 4.48Å; V87-Y96 HydrophobicContact CG1-CD1 4.09Å; V87-Y96 HydrophobicContact CG1-CE1 3.76Å; V87-Y96 HydrophobicContact CG2-CD1 4.03Å; V87-Y96 HydrophobicContact CG2-CE1 4.21Å; V87-L119 HydrophobicContact CG2-CD2 4.49Å; V87-L129 HydrophobicContact CG2-CB 4.45Å; V87-L130 PolarHBondContact N-O 3.41Å; V87-V131 HydrophobicContact CB-CG2 4.18Å; V87-V131 WeakPolarHBondContact O-CA 3.35Å; V87-T132 PolarHBondContact O-N 3.19Å; V87-F140 HydrophobicContact CG1-CD2 3.4Å; V87-F140 VanDerWaalsContact CG1-CD2 3.4Å; V87-F140 HydrophobicContact CG1-CE2 3.7Å; V87-F140 HydrophobicContact CG1-CG 4.16Å |
| 88 | M | 98.2 | Very high | 90.4 | Very high | 30 Ų | 30 | 48.2 Ų | 48.2 | 15% | 0.148 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 119.1 | -173.3 | -70.1 | -69.6 | -46 | 0 | 0 | 109.5 | K86 H90 S95 T132 | K86-M88 HydrophobicContact CD-CG 4.37Å; K86-M88 HydrophobicContact CD-SD 4.32Å; K86-M88 WeakPolarHBondContact CE-SD 3.17Å; K86-M88 HydrophobicContact CG-CG 4.05Å; K86-M88 HydrophobicContact CG-SD 4.26Å; M88-H90 PolarHBondContact O-CD2 3.2Å; M88-S95 WeakPolarHBondContact CB-OG 3.22Å; M88-S95 PolarHBondContact N-O 2.8Å; M88-S95 PolarHBondContact O-N 3.49Å; M88-S95 PolarHBondContact O-OG 2.92Å; M88-T132 VanDerWaalsContact CA-O 3.3Å; M88-T132 WeakPolarHBondContact CA-O 3.37Å; M88-T132 HydrophobicContact CE-CG2 3.83Å; M88-T132 HydrophobicContact SD-CG2 3.08Å; M88-T132 WeakPolarHBondContact SD-CG2 3.14Å |
| 89 | G | 98.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 142.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | T132 S133 S134 | G89-T132 PolarHBondContact N-O 2.99Å; G89-S133 PolarHBondContact O-OG 2.96Å; G89-S134 PolarHBondContact O-N 2.74Å; G89-S134 VanDerWaalsContact O-N 3.08Å; G89-S134 PolarHBondContact O-OG 3.41Å |
| 90 | H | 97.8 | Very high | 92.9 | Very high | 31 Ų | 31 | 47.2 Ų | 47.2 | 14% | 0.144 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 158.7 | 172.5 | -56.5 | -99 | 0 | 0 | 0 | 109.1 | M88 W92 Y93 S95 S134 D135 H138 | M88-H90 PolarHBondContact O-CD2 3.2Å; H90-W92 CarbonylContact O-C 3.55Å; H90-W92 WeakPolarHBondContact O-CA 2.98Å; H90-W92 PolarHBondContact O-N 2.93Å; H90-Y93 HydrophobicContact CB-CD1 3.86Å; H90-Y93 HydrophobicContact CB-CD2 4.31Å; H90-Y93 HydrophobicContact CB-CE1 3.54Å; H90-Y93 HydrophobicContact CB-CE2 4.04Å; H90-Y93 HydrophobicContact CB-CG 4.23Å; H90-Y93 AromaticContact CD2-CE2 3.58Å; H90-Y93 AromaticContact CD2-CZ 3.89Å; H90-Y93 AromaticContact CG-CE2 3.81Å; H90-Y93 AromaticContact CG-CZ 3.62Å; H90-Y93 PolarHBondContact N-O 3.38Å; H90-Y93 PolarHBondContact O-N 2.69Å; H90-Y93 VanDerWaalsContact O-O 3.07Å; H90-S95 PolarHBondContact CD2-OG 3.39Å; H90-S95 PolarHBondContact NE2-OG 2.71Å; H90-S134 PolarHBondContact CE1-OG 2.97Å; H90-S134 WeakPolarHBondContact ND1-CB 3.41Å; H90-S134 PolarHBondContact ND1-OG 2.69Å; H90-D135 WeakPolarHBondContact CA-OD2 3.38Å; H90-H138 PolarHBondContact O-CE1 2.57Å |
| 91 | Q | 96.4 | Very high | 94.2 | Very high | 89 Ų | 89 | 46 Ų | 46 | 42% | 0.416 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | 109.4 | 166.2 | -69.8 | -178 | -26 | 0 | 0 | 110.2 | D135 V136 C177 | Q91-D135 WeakPolarHBondContact CB-OD2 3.3Å; Q91-D135 WeakPolarHBondContact CG-OD2 3.38Å; Q91-D135 PolarHBondContact N-OD2 3.22Å; Q91-V136 HydrophobicContact CG-CG2 4.04Å; Q91-C177 PolarHBondContact NE2-O 2.78Å |
| 92 | W | 93.1 | Very high | 95.1 | Very high | 69 Ų | 69 | 44.7 Ų | 44.7 | 26% | 0.261 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -125.7 | 66.8 | -8.3 | -53 | 97.8 | 0 | 0 | 0 | 108.7 | H90 C177 V179 G180 H181 M184 | H90-W92 CarbonylContact O-C 3.55Å; H90-W92 WeakPolarHBondContact O-CA 2.98Å; H90-W92 PolarHBondContact O-N 2.93Å; W92-C177 HydrophobicContact CH2-CB 4.37Å; W92-C177 WeakPolarHBondContact CH2-O 3.12Å; W92-C177 HydrophobicContact CZ3-CB 3.61Å; W92-C177 WeakPolarHBondContact CZ3-SG 3.21Å; W92-V179 HydrophobicContact CZ2-CB 4.37Å; W92-V179 VanDerWaalsContact CZ2-N 3.31Å; W92-G180 VanDerWaalsContact CG-CA 3.44Å; W92-H181 VanDerWaalsContact CE3-N 3.35Å; W92-H181 HydrophobicContact CZ3-CB 4.39Å; W92-M184 VanDerWaalsContact C-CB 3.49Å; W92-M184 HydrophobicContact CB-CB 4.04Å; W92-M184 HydrophobicContact CB-CG 4.48Å; W92-M184 HydrophobicContact CB-SD 4.45Å; W92-M184 HydrophobicContact CE3-SD 3.7Å; W92-M184 HydrophobicContact CZ3-SD 4.47Å; W92-M184 VanDerWaalsContact O-CB 3.29Å; W92-M184 WeakPolarHBondContact O-CB 3.34Å |
| 93 | Y | 96.6 | Very high | 95.9 | Very high | 56 Ų | 56 | 46.7 Ų | 46.7 | 22% | 0.22 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 167.3 | -177.2 | 68.2 | -85.4 | 0 | 0 | 0 | 110.7 | H90 D105 S106 F107 | H90-Y93 HydrophobicContact CB-CD1 3.86Å; H90-Y93 HydrophobicContact CB-CD2 4.31Å; H90-Y93 HydrophobicContact CB-CE1 3.54Å; H90-Y93 HydrophobicContact CB-CE2 4.04Å; H90-Y93 HydrophobicContact CB-CG 4.23Å; H90-Y93 AromaticContact CD2-CE2 3.58Å; H90-Y93 AromaticContact CD2-CZ 3.89Å; H90-Y93 AromaticContact CG-CE2 3.81Å; H90-Y93 AromaticContact CG-CZ 3.62Å; H90-Y93 PolarHBondContact N-O 3.38Å; H90-Y93 PolarHBondContact O-N 2.69Å; H90-Y93 VanDerWaalsContact O-O 3.07Å; Y93-D105 HydrophobicContact CD2-CB 4.06Å; Y93-D105 HydrophobicContact CE2-CB 4.03Å; Y93-S106 WeakPolarHBondContact CB-O 3.22Å; Y93-F107 HydrophobicContact CD1-CD1 4.24Å; Y93-F107 AromaticContact CD1-CE1 3.59Å; Y93-F107 HydrophobicContact CD1-CE1 3.59Å; Y93-F107 HydrophobicContact CD1-CZ 4.42Å; Y93-F107 HydrophobicContact CD2-CD1 4.35Å; Y93-F107 AromaticContact CD2-CE1 3.74Å; Y93-F107 HydrophobicContact CD2-CE1 3.74Å; Y93-F107 AromaticContact CD2-CZ 3.95Å; Y93-F107 HydrophobicContact CD2-CZ 3.95Å; Y93-F107 HydrophobicContact CE1-CE1 4.07Å; Y93-F107 HydrophobicContact CE2-CE1 4.19Å; Y93-F107 HydrophobicContact CE2-CZ 4.12Å; Y93-F107 AromaticContact CG-CD1 3.84Å; Y93-F107 HydrophobicContact CG-CD1 3.84Å; Y93-F107 AromaticContact CG-CE1 3.41Å; Y93-F107 HydrophobicContact CG-CE1 3.41Å; Y93-F107 VanDerWaalsContact CG-CE1 3.41Å; Y93-F107 HydrophobicContact CG-CZ 4.12Å |
| 94 | W | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 144.8 | 178.9 | -66.2 | 91.6 | 0 | 0 | 0 | 110 | V87 Y96 S106 H138 F140 A151 M184 M186 | V87-W94 HydrophobicContact CG1-CE3 3.78Å; V87-W94 HydrophobicContact CG1-CZ3 4.08Å; W94-Y96 HydrophobicContact CB-CE1 4.39Å; W94-Y96 HydrophobicContact CB-CE2 4.37Å; W94-S106 PolarHBondContact N-O 2.07Å; W94-S106 WeakPolarHBondContact O-CA 3.15Å; W94-S106 WeakPolarHBondContact O-CB 3.42Å; W94-S106 PolarHBondContact O-N 3.08Å; W94-H138 HydrophobicContact CH2-CB 3.81Å; W94-H138 HydrophobicContact CZ2-CB 4.18Å; W94-F140 HydrophobicContact CD2-CD2 4.38Å; W94-F140 HydrophobicContact CE3-CD2 4Å; W94-F140 HydrophobicContact CH2-CB 3.95Å; W94-F140 HydrophobicContact CH2-CD2 4.33Å; W94-F140 HydrophobicContact CZ3-CB 4.06Å; W94-F140 AromaticContact CZ3-CD2 3.97Å; W94-F140 HydrophobicContact CZ3-CD2 3.97Å; W94-A151 HydrophobicContact CH2-CB 4.29Å; W94-A151 HydrophobicContact CZ3-CB 4.25Å; W94-M184 VanDerWaalsContact CE2-CE 3.43Å; W94-M184 HydrophobicContact CH2-CE 4.34Å; W94-M184 HydrophobicContact CZ2-CE 3.29Å; W94-M184 PolarHBondContact NE1-O 2.77Å; W94-M184 VanDerWaalsContact NE1-O 3.09Å; W94-M186 HydrophobicContact CD2-CE 3.5Å; W94-M186 VanDerWaalsContact CD2-CE 3.5Å; W94-M186 HydrophobicContact CE3-CE 4.03Å; W94-M186 HydrophobicContact CG-CE 4.07Å; W94-M186 HydrophobicContact CH2-CE 3.68Å; W94-M186 HydrophobicContact CZ2-CE 3.1Å; W94-M186 HydrophobicContact CZ3-CE 4.11Å; W94-M186 VanDerWaalsContact NE1-CE 3.27Å |
| 95 | S | 98.4 | Very high | 96.4 | Very high | 14 Ų | 14 | 46.6 Ų | 46.6 | 10% | 0.098 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 143.7 | 172.5 | 56.8 | 0 | 0 | 0 | 0 | 110.3 | M88 H90 Y104 D105 | M88-S95 WeakPolarHBondContact CB-OG 3.22Å; M88-S95 PolarHBondContact N-O 2.8Å; M88-S95 PolarHBondContact O-N 3.49Å; M88-S95 PolarHBondContact O-OG 2.92Å; H90-S95 PolarHBondContact CD2-OG 3.39Å; H90-S95 PolarHBondContact NE2-OG 2.71Å; S95-Y104 WeakPolarHBondContact CA-O 3.31Å; S95-D105 WeakPolarHBondContact CB-OD1 3.38Å |
| 96 | Y | 98.3 | Very high | 96.4 | Very high | 3 Ų | 3 | 46.6 Ų | 46.6 | 1% | 0.012 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 136.1 | -173.2 | -55.8 | -65.5 | 0 | 0 | 0 | 110 | K86 V87 W94 K103 Y104 L119 F140 | K86-Y96 WeakPolarHBondContact O-CA 3.43Å; V87-Y96 HydrophobicContact CB-CD1 4.38Å; V87-Y96 HydrophobicContact CB-CE1 4.48Å; V87-Y96 HydrophobicContact CG1-CD1 4.09Å; V87-Y96 HydrophobicContact CG1-CE1 3.76Å; V87-Y96 HydrophobicContact CG2-CD1 4.03Å; V87-Y96 HydrophobicContact CG2-CE1 4.21Å; W94-Y96 HydrophobicContact CB-CE1 4.39Å; W94-Y96 HydrophobicContact CB-CE2 4.37Å; Y96-K103 WeakPolarHBondContact O-CA 3.13Å; Y96-Y104 HydrophobicContact CD2-CD2 4.19Å; Y96-Y104 AromaticContact CD2-CE2 3.53Å; Y96-Y104 HydrophobicContact CD2-CE2 3.53Å; Y96-Y104 AromaticContact CD2-CZ 3.96Å; Y96-Y104 HydrophobicContact CE2-CE2 4.38Å; Y96-Y104 HydrophobicContact CG-CE2 4.36Å; Y96-Y104 PolarHBondContact N-O 3.07Å; Y96-Y104 PolarHBondContact O-N 3.28Å; Y96-L119 HydrophobicContact CD1-CB 4.21Å; Y96-L119 HydrophobicContact CD1-CD1 3.98Å; Y96-L119 HydrophobicContact CD1-CD2 4.03Å; Y96-L119 HydrophobicContact CD1-CG 4.29Å; Y96-L119 HydrophobicContact CD2-CB 4.22Å; Y96-L119 HydrophobicContact CE1-CB 3.92Å; Y96-L119 HydrophobicContact CE1-CD1 4.48Å; Y96-L119 HydrophobicContact CE1-CD2 3.87Å; Y96-L119 HydrophobicContact CE1-CG 4.29Å; Y96-L119 HydrophobicContact CE2-CB 3.91Å; Y96-L119 HydrophobicContact CG-CB 4.35Å; Y96-L119 HydrophobicContact CG-CD1 4.01Å; Y96-F140 HydrophobicContact CE1-CE2 4.03Å |
| 97 | E | 97.8 | Very high | 96.4 | Very high | 60 Ų | 60 | 47.1 Ų | 47.1 | 28% | 0.28 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 111.3 | 172.5 | 166.3 | 172.4 | -168.8 | 0 | 0 | 108.3 | V85 K86 A102 K103 | V85-E97 CarbonylContact C-O 3.56Å; V85-E97 WeakPolarHBondContact CA-O 3.07Å; K86-E97 HydrophobicContact CB-CB 4.06Å; K86-E97 HydrophobicContact CB-CG 4.49Å; K86-E97 PolarHBondContact N-O 2.81Å; K86-E97 IonicContact NZ-OE2 2.69Å; K86-E97 PolarHBondContact O-N 2.82Å; E97-A102 WeakPolarHBondContact CA-O 3.31Å; E97-K103 HydrophobicContact CB-CD 4.49Å; E97-K103 HydrophobicContact CB-CG 3.98Å; E97-K103 HydrophobicContact CG-CD 4.27Å; E97-K103 HydrophobicContact CG-CG 3.94Å; E97-K103 WeakPolarHBondContact OE1-CE 3.45Å; E97-K103 IonicContact OE1-NZ 3.35Å; E97-K103 PolarHBondContact OE1-NZ 2.85Å; E97-K103 WeakPolarHBondContact OE2-CE 3.47Å; E97-K103 IonicContact OE2-NZ 3.68Å; E97-K103 PolarHBondContact OE2-NZ 3.24Å |
| 98 | L | 96 | Very high | 96.2 | Very high | 40 Ų | 40 | 49.9 Ų | 49.9 | 21% | 0.209 | 27% | 0.268 | C | S | . | . | trans | -85.7 | 159.2 | -176.9 | -75 | 75.5 | 0 | 0 | 0 | 110.7 | S100 G101 A102 Y104 | L98-S100 PolarHBondContact O-N 2.87Å; L98-S100 VanDerWaalsContact O-N 3.09Å; L98-G101 PolarHBondContact O-N 3.31Å; L98-A102 PolarHBondContact N-O 3.4Å; L98-Y104 HydrophobicContact CD1-CD1 4.33Å; L98-Y104 HydrophobicContact CD1-CE1 3.5Å | ||
| 99 | S | 91.6 | Very high | 95.9 | Very high | 71 Ų | 71 | 52 Ų | 52 | 50% | 0.497 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -23.2 | 173.8 | 58.4 | 0 | 0 | 0 | 0 | 114 | P84 G101 | P84-S99 WeakPolarHBondContact O-CB 3.18Å; P84-S99 PolarHBondContact O-N 3.44Å; S99-G101 PolarHBondContact O-N 3.18Å |
| 100 | S | 90.8 | Very high | 95.1 | Very high | 95 Ų | 95 | 57 Ų | 57 | 66% | 0.664 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -7.1 | 173 | 61.4 | 0 | 0 | 0 | 0 | 114.3 | L98 A102 | L98-S100 PolarHBondContact O-N 2.87Å; L98-S100 VanDerWaalsContact O-N 3.09Å; S100-A102 VanDerWaalsContact C-N 3.34Å |
| 101 | G | 92.3 | Very high | 94 | Very high | 49 Ų | 49 | 62.3 Ų | 62.3 | 51% | 0.505 | 34% | 0.338 | S | S | . | . | S | Bend | trans | 87.1 | -3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | L98 S99 K103 | L98-G101 PolarHBondContact O-N 3.31Å; S99-G101 PolarHBondContact O-N 3.18Å; G101-K103 PolarHBondContact O-N 2.83Å |
| 102 | A | 95.4 | Very high | 93 | Very high | 46 Ų | 46 | 66.6 Ų | 66.6 | 38% | 0.38 | 36% | 0.361 | S | S | . | . | trans | -67.1 | 130.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | E97 L98 S100 | E97-A102 WeakPolarHBondContact CA-O 3.31Å; L98-A102 PolarHBondContact N-O 3.4Å; S100-A102 VanDerWaalsContact C-N 3.34Å | ||
| 103 | K | 97.4 | Very high | 92.1 | Very high | 139 Ų | 139 | 64.2 Ų | 64.2 | 60% | 0.604 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 132 | 178.7 | -58.7 | -174.2 | -170.8 | -148.1 | 0 | 110.2 | Y96 E97 G101 | Y96-K103 WeakPolarHBondContact O-CA 3.13Å; E97-K103 HydrophobicContact CB-CD 4.49Å; E97-K103 HydrophobicContact CB-CG 3.98Å; E97-K103 HydrophobicContact CG-CD 4.27Å; E97-K103 HydrophobicContact CG-CG 3.94Å; E97-K103 WeakPolarHBondContact OE1-CE 3.45Å; E97-K103 IonicContact OE1-NZ 3.35Å; E97-K103 PolarHBondContact OE1-NZ 2.85Å; E97-K103 WeakPolarHBondContact OE2-CE 3.47Å; E97-K103 IonicContact OE2-NZ 3.68Å; E97-K103 PolarHBondContact OE2-NZ 3.24Å; G101-K103 PolarHBondContact O-N 2.83Å |
| 104 | Y | 98.2 | Very high | 91.8 | Very high | 48 Ų | 48 | 62.5 Ų | 62.5 | 19% | 0.188 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 153.6 | 176.6 | 61.6 | -90.2 | 0 | 0 | 0 | 113.1 | S95 Y96 L98 K117 P118 | S95-Y104 WeakPolarHBondContact CA-O 3.31Å; Y96-Y104 HydrophobicContact CD2-CD2 4.19Å; Y96-Y104 AromaticContact CD2-CE2 3.53Å; Y96-Y104 HydrophobicContact CD2-CE2 3.53Å; Y96-Y104 AromaticContact CD2-CZ 3.96Å; Y96-Y104 HydrophobicContact CE2-CE2 4.38Å; Y96-Y104 HydrophobicContact CG-CE2 4.36Å; Y96-Y104 PolarHBondContact N-O 3.07Å; Y96-Y104 PolarHBondContact O-N 3.28Å; L98-Y104 HydrophobicContact CD1-CD1 4.33Å; L98-Y104 HydrophobicContact CD1-CE1 3.5Å; Y104-K117 HydrophobicContact CD2-CB 3.61Å; Y104-K117 HydrophobicContact CD2-CD 3.84Å; Y104-K117 HydrophobicContact CD2-CG 4.37Å; Y104-K117 HydrophobicContact CE2-CB 3.73Å; Y104-K117 HydrophobicContact CG-CD 4.24Å; Y104-P118 PolarHBondContact OH-O 3.23Å |
| 105 | D | 98 | Very high | 91.7 | Very high | 63 Ų | 63 | 63.4 Ų | 63.4 | 34% | 0.337 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 139.2 | 174.8 | -54 | -31.4 | 0 | 0 | 0 | 110.9 | Y93 S95 F107 K117 | Y93-D105 HydrophobicContact CD2-CB 4.06Å; Y93-D105 HydrophobicContact CE2-CB 4.03Å; S95-D105 WeakPolarHBondContact CB-OD1 3.38Å; D105-F107 HydrophobicContact CB-CD2 4.21Å; D105-F107 HydrophobicContact CB-CE2 3.45Å; D105-F107 VanDerWaalsContact CB-CE2 3.45Å; D105-F107 HydrophobicContact CB-CZ 3.8Å; D105-K117 WeakPolarHBondContact O-CD 3.4Å |
| 106 | S | 97.2 | Very high | 91.5 | Very high | 1 Ų | 1 | 66.2 Ų | 66.2 | 1% | 0.007 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 106.7 | 179.6 | 173.8 | 0 | 0 | 0 | 0 | 109.4 | Y93 W94 V115 N116 K117 | Y93-S106 WeakPolarHBondContact CB-O 3.22Å; W94-S106 PolarHBondContact N-O 2.07Å; W94-S106 WeakPolarHBondContact O-CA 3.15Å; W94-S106 WeakPolarHBondContact O-CB 3.42Å; W94-S106 PolarHBondContact O-N 3.08Å; S106-V115 WeakPolarHBondContact OG-CB 3.45Å; S106-N116 WeakPolarHBondContact CA-OD1 3.29Å; S106-K117 WeakPolarHBondContact CB-O 3.27Å; S106-K117 PolarHBondContact OG-O 2.83Å; S106-K117 VanDerWaalsContact OG-O 3.12Å |
| 107 | F | 96 | Very high | 91.4 | Very high | 86 Ų | 86 | 70.8 Ų | 70.8 | 38% | 0.377 | 40% | 0.396 | S | S | . | . | trans | -102.8 | 150.6 | 177.2 | -61.4 | -81.3 | 0 | 0 | 0 | 110.7 | Y93 D105 V115 N116 | Y93-F107 HydrophobicContact CD1-CD1 4.24Å; Y93-F107 AromaticContact CD1-CE1 3.59Å; Y93-F107 HydrophobicContact CD1-CE1 3.59Å; Y93-F107 HydrophobicContact CD1-CZ 4.42Å; Y93-F107 HydrophobicContact CD2-CD1 4.35Å; Y93-F107 AromaticContact CD2-CE1 3.74Å; Y93-F107 HydrophobicContact CD2-CE1 3.74Å; Y93-F107 AromaticContact CD2-CZ 3.95Å; Y93-F107 HydrophobicContact CD2-CZ 3.95Å; Y93-F107 HydrophobicContact CE1-CE1 4.07Å; Y93-F107 HydrophobicContact CE2-CE1 4.19Å; Y93-F107 HydrophobicContact CE2-CZ 4.12Å; Y93-F107 AromaticContact CG-CD1 3.84Å; Y93-F107 HydrophobicContact CG-CD1 3.84Å; Y93-F107 AromaticContact CG-CE1 3.41Å; Y93-F107 HydrophobicContact CG-CE1 3.41Å; Y93-F107 VanDerWaalsContact CG-CE1 3.41Å; Y93-F107 HydrophobicContact CG-CZ 4.12Å; D105-F107 HydrophobicContact CB-CD2 4.21Å; D105-F107 HydrophobicContact CB-CE2 3.45Å; D105-F107 VanDerWaalsContact CB-CE2 3.45Å; D105-F107 HydrophobicContact CB-CZ 3.8Å; F107-V115 CarbonylContact O-C 3.5Å; F107-V115 VanDerWaalsContact O-CA 3.23Å; F107-V115 WeakPolarHBondContact O-CA 3.36Å; F107-V115 WeakPolarHBondContact O-CB 3.38Å; F107-N116 PolarHBondContact N-OD1 2.92Å; F107-N116 PolarHBondContact O-N 2.99Å; F107-N116 PolarHBondContact O-OD1 2.67Å; F107-N116 VanDerWaalsContact O-OD1 3.11Å | ||
| 108 | M | 94.8 | Very high | 91.4 | Very high | 57 Ų | 57 | 69 Ų | 69 | 28% | 0.281 | 39% | 0.39 | S | S | . | . | B | Isolated β-bridge | trans | -61 | 136.9 | 172.6 | -172.1 | 171.7 | 176.7 | 0 | 0 | 111.1 | D110 L111 G114 Y183 P185 | M108-D110 WeakPolarHBondContact CE-O 3.48Å; M108-L111 VanDerWaalsContact CE-CA 3.42Å; M108-L111 HydrophobicContact CE-CD1 4.14Å; M108-G114 WeakPolarHBondContact CA-O 3.37Å; M108-Y183 HydrophobicContact CE-CD1 4.15Å; M108-Y183 VanDerWaalsContact SD-CA 3.59Å; M108-Y183 HydrophobicContact SD-CD1 4.18Å; M108-Y183 VanDerWaalsContact SD-O 3.41Å; M108-P185 HydrophobicContact CB-CG 4.17Å; M108-P185 HydrophobicContact CG-CG 3.85Å; M108-P185 HydrophobicContact SD-CG 4.27Å |
| 109 | T | 91 | Very high | 91.5 | Very high | 75 Ų | 75 | 67.1 Ų | 67.1 | 46% | 0.46 | 38% | 0.38 | S | S | . | . | trans | -104.1 | -49 | 174.1 | 49.7 | 0 | 0 | 0 | 0 | 112 | G114 N116 | T109-G114 PolarHBondContact N-O 3.29Å; T109-G114 VanDerWaalsContact OG1-C 3.25Å; T109-G114 PolarHBondContact OG1-O 3.14Å; T109-N116 HydrophobicContact CG2-CB 3.65Å; T109-N116 VanDerWaalsContact CG2-N 3.34Å | ||
| 110 | D | 81.1 | Confident | 91.7 | Very high | 106 Ų | 106 | 70.8 Ų | 70.8 | 57% | 0.567 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -126.4 | 154.9 | -173.7 | -57.1 | -32.1 | 0 | 0 | 0 | 110.4 | M108 M112 G113 | M108-D110 WeakPolarHBondContact CE-O 3.48Å; D110-M112 PolarHBondContact O-N 3.27Å; D110-M112 VanDerWaalsContact O-N 3.07Å; D110-G113 PolarHBondContact O-N 3.45Å |
| 111 | L | 74.6 | Confident | 91.9 | Very high | 141 Ų | 141 | 66.3 Ų | 66.3 | 74% | 0.738 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -21.4 | 176.3 | -154.1 | 73.7 | 0 | 0 | 0 | 113.2 | M108 G113 Y183 | M108-L111 VanDerWaalsContact CE-CA 3.42Å; M108-L111 HydrophobicContact CE-CD1 4.14Å; L111-G113 PolarHBondContact O-N 2.93Å; L111-Y183 HydrophobicContact CD1-CD1 4.25Å; L111-Y183 HydrophobicContact CD1-CE1 3.84Å |
| 112 | M | 75.4 | Confident | 92 | Very high | 180 Ų | 180 | 66.7 Ų | 66.7 | 89% | 0.887 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | 28.8 | -178 | -67.4 | -74.2 | 166.6 | 0 | 0 | 113.7 | D110 G114 | D110-M112 PolarHBondContact O-N 3.27Å; D110-M112 VanDerWaalsContact O-N 3.07Å; M112-G114 PolarHBondContact O-N 3.16Å |
| 113 | G | 75.9 | Confident | 92 | Very high | 18 Ų | 18 | 65.3 Ų | 65.3 | 19% | 0.186 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.1 | 14.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | D110 L111 V187 | D110-G113 PolarHBondContact O-N 3.45Å; L111-G113 PolarHBondContact O-N 2.93Å; G113-V187 WeakPolarHBondContact O-CG2 3.44Å |
| 114 | G | 89.3 | Confident | 91.8 | Very high | 21 Ų | 21 | 64.2 Ų | 64.2 | 22% | 0.216 | 32% | 0.323 | C | S | . | . | trans | -75.2 | 150 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | M108 T109 M112 | M108-G114 WeakPolarHBondContact CA-O 3.37Å; T109-G114 PolarHBondContact N-O 3.29Å; T109-G114 VanDerWaalsContact OG1-C 3.25Å; T109-G114 PolarHBondContact OG1-O 3.14Å; M112-G114 PolarHBondContact O-N 3.16Å | ||
| 115 | V | 95.5 | Very high | 91.5 | Very high | 19 Ų | 19 | 62.8 Ų | 62.8 | 12% | 0.115 | 32% | 0.319 | C | S | . | . | B | Isolated β-bridge | trans | -130.3 | 153.3 | 171.8 | -59.8 | 0 | 0 | 0 | 0 | 110.9 | S106 F107 P118 P185 V187 | S106-V115 WeakPolarHBondContact OG-CB 3.45Å; F107-V115 CarbonylContact O-C 3.5Å; F107-V115 VanDerWaalsContact O-CA 3.23Å; F107-V115 WeakPolarHBondContact O-CA 3.36Å; F107-V115 WeakPolarHBondContact O-CB 3.38Å; V115-P118 HydrophobicContact CG2-CB 4.17Å; V115-P185 HydrophobicContact CG1-CB 4.38Å; V115-P185 HydrophobicContact CG1-CG 3.89Å; V115-P185 VanDerWaalsContact CG1-O 3.28Å; V115-P185 WeakPolarHBondContact CG1-O 3.32Å; V115-V187 HydrophobicContact CB-CG2 4.32Å; V115-V187 HydrophobicContact CG1-CG2 4.03Å; V115-V187 HydrophobicContact CG2-CB 3.57Å; V115-V187 HydrophobicContact CG2-CG2 3.59Å |
| 116 | N | 95.4 | Very high | 91.2 | Very high | 73 Ų | 73 | 61.8 Ų | 61.8 | 39% | 0.39 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -70.6 | -32.7 | -179.8 | 66.1 | -18.5 | 0 | 0 | 0 | 112.8 | S106 F107 T109 | S106-N116 WeakPolarHBondContact CA-OD1 3.29Å; F107-N116 PolarHBondContact N-OD1 2.92Å; F107-N116 PolarHBondContact O-N 2.99Å; F107-N116 PolarHBondContact O-OD1 2.67Å; F107-N116 VanDerWaalsContact O-OD1 3.11Å; T109-N116 HydrophobicContact CG2-CB 3.65Å; T109-N116 VanDerWaalsContact CG2-N 3.34Å |
| 117 | K | 96.6 | Very high | 91.1 | Very high | 98 Ų | 98 | 62.8 Ų | 62.8 | 43% | 0.426 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -137.1 | 89.9 | -176.1 | -62.3 | -174.8 | -164.1 | 163.3 | 0 | 110.3 | Y104 D105 S106 | Y104-K117 HydrophobicContact CD2-CB 3.61Å; Y104-K117 HydrophobicContact CD2-CD 3.84Å; Y104-K117 HydrophobicContact CD2-CG 4.37Å; Y104-K117 HydrophobicContact CE2-CB 3.73Å; Y104-K117 HydrophobicContact CG-CD 4.24Å; D105-K117 WeakPolarHBondContact O-CD 3.4Å; S106-K117 WeakPolarHBondContact CB-O 3.27Å; S106-K117 PolarHBondContact OG-O 2.83Å; S106-K117 VanDerWaalsContact OG-O 3.12Å |
| 118 | P | 96.7 | Very high | 91 | Very high | 23 Ų | 23 | 58.8 Ų | 58.8 | 15% | 0.149 | 30% | 0.303 | C | S | . | . | trans | -66.1 | 157.9 | 178.9 | 28.4 | -35.2 | 0 | 0 | 0 | 111.7 | Y104 V115 R120 V187 E189 | Y104-P118 PolarHBondContact OH-O 3.23Å; V115-P118 HydrophobicContact CG2-CB 4.17Å; P118-R120 PolarHBondContact O-N 2.81Å; P118-V187 CarbonylContact C-O 3.48Å; P118-V187 WeakPolarHBondContact CA-O 3.37Å; P118-V187 HydrophobicContact CB-CB 3.95Å; P118-V187 HydrophobicContact CB-CG1 3.85Å; P118-V187 WeakPolarHBondContact CB-O 3.43Å; P118-E189 HydrophobicContact CB-CB 4.34Å; P118-E189 HydrophobicContact CG-CB 4.45Å | ||
| 119 | L | 97.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 108.4 | 168.1 | 176.3 | 58.8 | 0 | 0 | 0 | 109.2 | V85 V87 Y96 L121 F140 V187 V188 E189 | V85-L119 HydrophobicContact CG1-CD1 3.88Å; V87-L119 HydrophobicContact CG2-CD2 4.49Å; Y96-L119 HydrophobicContact CD1-CB 4.21Å; Y96-L119 HydrophobicContact CD1-CD1 3.98Å; Y96-L119 HydrophobicContact CD1-CD2 4.03Å; Y96-L119 HydrophobicContact CD1-CG 4.29Å; Y96-L119 HydrophobicContact CD2-CB 4.22Å; Y96-L119 HydrophobicContact CE1-CB 3.92Å; Y96-L119 HydrophobicContact CE1-CD1 4.48Å; Y96-L119 HydrophobicContact CE1-CD2 3.87Å; Y96-L119 HydrophobicContact CE1-CG 4.29Å; Y96-L119 HydrophobicContact CE2-CB 3.91Å; Y96-L119 HydrophobicContact CG-CB 4.35Å; Y96-L119 HydrophobicContact CG-CD1 4.01Å; L119-L121 HydrophobicContact CD1-CD2 4.22Å; L119-L121 HydrophobicContact CD1-CG 4.49Å; L119-L121 HydrophobicContact CD2-CD1 4.17Å; L119-L121 HydrophobicContact CD2-CG 4.46Å; L119-L121 HydrophobicContact CG-CD1 4.32Å; L119-L121 HydrophobicContact CG-CD2 4.33Å; L119-L121 HydrophobicContact CG-CG 4.09Å; L119-F140 HydrophobicContact CD2-CZ 4.36Å; L119-V187 PolarHBondContact N-O 3.27Å; L119-V188 HydrophobicContact CB-CG2 4.33Å; L119-V188 HydrophobicContact CD2-CG2 4.34Å; L119-V188 CarbonylContact O-C 3.55Å; L119-V188 VanDerWaalsContact O-CA 3.32Å; L119-V188 WeakPolarHBondContact O-CA 3.03Å; L119-E189 PolarHBondContact O-N 2.81Å |
| 120 | R | 96.2 | Very high | 91.3 | Very high | 148 Ų | 148 | 54.8 Ų | 54.8 | 56% | 0.558 | 28% | 0.279 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 121.1 | 179.7 | -72.9 | 178.4 | 174.4 | 163.5 | 1 | 111.1 | P118 E189 | P118-R120 PolarHBondContact O-N 2.81Å; R120-E189 WeakPolarHBondContact CA-O 3.32Å; R120-E189 HydrophobicContact CG-CB 4.05Å; R120-E189 HydrophobicContact CG-CG 4.46Å; R120-E189 WeakPolarHBondContact CG-OE2 3.47Å; R120-E189 IonicContact CZ-OE2 2.96Å; R120-E189 IonicContact NE-OE2 2.78Å; R120-E189 PolarHBondContact NE-OE2 3.13Å; R120-E189 IonicContact NH2-OE2 3.79Å; R120-E189 PolarHBondContact NH2-OE2 2.99Å |
| 121 | L | 95.6 | Very high | 92.1 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 149.5 | 178.4 | -62.3 | 176.6 | 0 | 0 | 0 | 110.7 | V85 L119 Y127 L129 L163 V188 E189 V190 V191 | V85-L121 HydrophobicContact CG2-CD2 4.11Å; L119-L121 HydrophobicContact CD1-CD2 4.22Å; L119-L121 HydrophobicContact CD1-CG 4.49Å; L119-L121 HydrophobicContact CD2-CD1 4.17Å; L119-L121 HydrophobicContact CD2-CG 4.46Å; L119-L121 HydrophobicContact CG-CD1 4.32Å; L119-L121 HydrophobicContact CG-CD2 4.33Å; L119-L121 HydrophobicContact CG-CG 4.09Å; L121-Y127 HydrophobicContact CB-CD2 4.3Å; L121-Y127 HydrophobicContact CB-CE2 3.9Å; L121-Y127 HydrophobicContact CD2-CD1 4.12Å; L121-Y127 HydrophobicContact CD2-CD2 4.02Å; L121-Y127 HydrophobicContact CD2-CE1 4.08Å; L121-Y127 HydrophobicContact CD2-CE2 3.96Å; L121-Y127 HydrophobicContact CD2-CG 4.09Å; L121-Y127 HydrophobicContact CG-CD2 4.5Å; L121-Y127 HydrophobicContact CG-CE2 4.43Å; L121-L129 HydrophobicContact CD1-CD2 4.37Å; L121-L163 HydrophobicContact CB-CD1 3.83Å; L121-L163 HydrophobicContact CD1-CD1 3.76Å; L121-L163 HydrophobicContact CG-CD1 4.43Å; L121-V188 HydrophobicContact CD1-CG1 4.09Å; L121-E189 PolarHBondContact N-O 2.94Å; L121-V190 WeakPolarHBondContact O-CA 3.06Å; L121-V191 PolarHBondContact O-N 2.84Å |
| 122 | L | 95 | Very high | 93.2 | Very high | 57 Ų | 57 | 43.6 Ų | 43.6 | 30% | 0.298 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 138.2 | 178.9 | -59.6 | -179.4 | 0 | 0 | 0 | 111.3 | V125 Y127 V191 N193 | L122-V125 HydrophobicContact CB-CB 4.04Å; L122-V125 HydrophobicContact CB-CG2 3.61Å; L122-V125 HydrophobicContact CD1-CG2 4.21Å; L122-V125 PolarHBondContact O-N 2.83Å; L122-Y127 HydrophobicContact CB-CE2 4.48Å; L122-Y127 WeakPolarHBondContact CB-OH 3.41Å; L122-Y127 WeakPolarHBondContact CG-OH 3.48Å; L122-Y127 PolarHBondContact N-OH 3.37Å; L122-V191 HydrophobicContact CD2-CG2 3.6Å; L122-N193 HydrophobicContact CB-CB 4.37Å |
| 123 | M | 95.3 | Very high | 94.3 | Very high | 18 Ų | 18 | 35.3 Ų | 35.3 | 9% | 0.089 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | 139.3 | 174.5 | -166.1 | -176.1 | 58 | 0 | 0 | 111.3 | V125 L163 L166 V190 V191 M192 M196 | M123-V125 PolarHBondContact O-N 3.4Å; M123-V125 VanDerWaalsContact O-N 3.16Å; M123-L163 WeakPolarHBondContact CG-O 3.41Å; M123-L166 HydrophobicContact CB-CD2 3.98Å; M123-L166 HydrophobicContact CE-CD2 4.35Å; M123-L166 HydrophobicContact CE-CG 4.45Å; M123-L166 HydrophobicContact CG-CD2 4.34Å; M123-L166 HydrophobicContact SD-CD2 3.81Å; M123-L166 HydrophobicContact SD-CG 3.72Å; M123-V190 HydrophobicContact CB-CG1 3.91Å; M123-V190 HydrophobicContact CG-CG1 4.34Å; M123-V191 PolarHBondContact N-O 3.39Å; M123-M192 HydrophobicContact CE-CE 4.46Å; M123-M192 HydrophobicContact CE-SD 3.55Å; M123-M192 VanDerWaalsContact CE-SD 3.55Å; M123-M196 HydrophobicContact CE-CE 4.2Å |
| 124 | K | 91.8 | Very high | 95.3 | Very high | 115 Ų | 115 | 37.5 Ų | 37.5 | 50% | 0.5 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | 15.8 | -179.8 | -64.3 | 176.8 | -178.7 | 179.8 | 0 | 115.2 | L163 M196 | K124-L163 PolarHBondContact N-O 2.81Å; K124-M196 HydrophobicContact CD-CE 4.5Å; K124-M196 HydrophobicContact CD-SD 4.08Å |
| 125 | V | 91.8 | Very high | 95.6 | Very high | 18 Ų | 18 | 39.3 Ų | 39.3 | 11% | 0.109 | 20% | 0.198 | C | C | . | . | trans | -96.3 | 131.6 | 170.1 | 177.4 | 0 | 0 | 0 | 0 | 108.7 | L122 M123 Y127 | L122-V125 HydrophobicContact CB-CB 4.04Å; L122-V125 HydrophobicContact CB-CG2 3.61Å; L122-V125 HydrophobicContact CD1-CG2 4.21Å; L122-V125 PolarHBondContact O-N 2.83Å; M123-V125 PolarHBondContact O-N 3.4Å; M123-V125 VanDerWaalsContact O-N 3.16Å; V125-Y127 HydrophobicContact CB-CD2 4.4Å; V125-Y127 HydrophobicContact CB-CE2 3.71Å; V125-Y127 HydrophobicContact CG1-CD2 4.3Å; V125-Y127 HydrophobicContact CG1-CE1 4.19Å; V125-Y127 HydrophobicContact CG1-CE2 3.74Å; V125-Y127 WeakPolarHBondContact O-CD2 3.01Å | ||
| 126 | P | 92.7 | Very high | 95.7 | Very high | 43 Ų | 43 | 40.8 Ų | 40.8 | 28% | 0.279 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 118.6 | 179 | 33.4 | -34.2 | 0 | 0 | 0 | 110.9 | F81 V161 | F81-P126 HydrophobicContact CB-CB 3.84Å; F81-P126 HydrophobicContact CD1-CB 3.65Å; F81-P126 HydrophobicContact CD2-CB 4.02Å; F81-P126 HydrophobicContact CE1-CB 4.17Å; F81-P126 HydrophobicContact CE2-CB 4.5Å; F81-P126 HydrophobicContact CG-CB 3.58Å; P126-V161 WeakPolarHBondContact CA-O 3.46Å |
| 127 | Y | 94.1 | Very high | 95.8 | Very high | 21 Ų | 21 | 42.3 Ų | 42.3 | 8% | 0.082 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 146 | 179.2 | -67.4 | -80.5 | 0 | 0 | 0 | 111.8 | F81 D83 V85 L121 L122 V125 G160 V161 | F81-Y127 WeakPolarHBondContact CD2-O 3.49Å; D83-Y127 HydrophobicContact CB-CD1 3.71Å; D83-Y127 HydrophobicContact CB-CE1 4.03Å; D83-Y127 WeakPolarHBondContact O-CA 3.4Å; V85-Y127 HydrophobicContact CG2-CD1 3.73Å; V85-Y127 HydrophobicContact CG2-CE1 4.28Å; V85-Y127 HydrophobicContact CG2-CG 4.49Å; L121-Y127 HydrophobicContact CB-CD2 4.3Å; L121-Y127 HydrophobicContact CB-CE2 3.9Å; L121-Y127 HydrophobicContact CD2-CD1 4.12Å; L121-Y127 HydrophobicContact CD2-CD2 4.02Å; L121-Y127 HydrophobicContact CD2-CE1 4.08Å; L121-Y127 HydrophobicContact CD2-CE2 3.96Å; L121-Y127 HydrophobicContact CD2-CG 4.09Å; L121-Y127 HydrophobicContact CG-CD2 4.5Å; L121-Y127 HydrophobicContact CG-CE2 4.43Å; L122-Y127 HydrophobicContact CB-CE2 4.48Å; L122-Y127 WeakPolarHBondContact CB-OH 3.41Å; L122-Y127 WeakPolarHBondContact CG-OH 3.48Å; L122-Y127 PolarHBondContact N-OH 3.37Å; V125-Y127 HydrophobicContact CB-CD2 4.4Å; V125-Y127 HydrophobicContact CB-CE2 3.71Å; V125-Y127 HydrophobicContact CG1-CD2 4.3Å; V125-Y127 HydrophobicContact CG1-CE1 4.19Å; V125-Y127 HydrophobicContact CG1-CE2 3.74Å; V125-Y127 WeakPolarHBondContact O-CD2 3.01Å; Y127-G160 WeakPolarHBondContact O-CA 3.15Å; Y127-V161 PolarHBondContact N-O 3.08Å; Y127-V161 PolarHBondContact O-N 2.72Å |
| 128 | S | 94.9 | Very high | 95.9 | Very high | 3 Ų | 3 | 37.7 Ų | 37.7 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 103.2 | 166.3 | -70.2 | 0 | 0 | 0 | 0 | 109.7 | C80 F81 D83 P84 V85 L130 | C80-S128 VanDerWaalsContact C-OG 3.26Å; C80-S128 WeakPolarHBondContact CA-OG 3.21Å; C80-S128 WeakPolarHBondContact CB-OG 3.49Å; F81-S128 WeakPolarHBondContact CA-OG 3.47Å; F81-S128 PolarHBondContact N-OG 2.69Å; F81-S128 PolarHBondContact O-OG 2.86Å; D83-S128 PolarHBondContact O-N 3.3Å; P84-S128 CarbonylContact C-O 3.47Å; P84-S128 VanDerWaalsContact CA-O 3.31Å; P84-S128 WeakPolarHBondContact CA-O 3.39Å; V85-S128 PolarHBondContact N-O 3.16Å; S128-L130 PolarHBondContact O-N 3.31Å |
| 129 | L | 95.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 110.6 | 173.6 | -54 | -172.5 | 0 | 0 | 0 | 109 | V85 V87 L121 V131 F140 M147 C158 L159 V161 | V85-L129 HydrophobicContact CB-CD2 3.77Å; V85-L129 HydrophobicContact CG1-CD2 4.15Å; V85-L129 HydrophobicContact CG2-CD2 4.45Å; V85-L129 CarbonylContact O-C 3.55Å; V85-L129 VanDerWaalsContact O-CA 3.29Å; V85-L129 WeakPolarHBondContact O-CA 3.15Å; V87-L129 HydrophobicContact CG2-CB 4.45Å; L121-L129 HydrophobicContact CD1-CD2 4.37Å; L129-V131 HydrophobicContact CB-CG2 4.12Å; L129-V131 PolarHBondContact O-N 3.19Å; L129-F140 HydrophobicContact CD1-CE1 4.26Å; L129-M147 HydrophobicContact CD1-SD 4.09Å; L129-C158 CarbonylContact O-C 3.55Å; L129-C158 WeakPolarHBondContact O-CA 3.26Å; L129-L159 HydrophobicContact CB-CB 4.28Å; L129-L159 HydrophobicContact CD1-CD2 4.41Å; L129-L159 PolarHBondContact N-O 3.35Å; L129-L159 PolarHBondContact O-N 3.23Å; L129-V161 HydrophobicContact CD1-CG1 4.08Å; L129-V161 HydrophobicContact CD1-CG2 4.04Å; L129-V161 HydrophobicContact CD2-CG2 4.26Å; L129-V161 HydrophobicContact CG-CG1 4.3Å; L129-V161 HydrophobicContact CG-CG2 3.87Å |
| 130 | L | 95.9 | Very high | 95.9 | Very high | 47 Ų | 47 | 36.6 Ų | 36.6 | 25% | 0.246 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 91.5 | 176.9 | -57 | -179.3 | 0 | 0 | 0 | 108.5 | P84 V85 K86 V87 S128 I156 N157 C158 | P84-L130 HydrophobicContact CB-CD1 3.85Å; P84-L130 HydrophobicContact CB-CG 4.3Å; V85-L130 PolarHBondContact O-N 2.7Å; K86-L130 CarbonylContact C-O 3.49Å; K86-L130 WeakPolarHBondContact CA-O 3.08Å; K86-L130 HydrophobicContact CB-CB 4.33Å; V87-L130 PolarHBondContact N-O 3.41Å; S128-L130 PolarHBondContact O-N 3.31Å; L130-I156 HydrophobicContact CB-CG2 3.8Å; L130-I156 HydrophobicContact CD2-CG2 4.17Å; L130-I156 HydrophobicContact CG-CG2 4.45Å; L130-N157 CarbonylContact C-O 3.58Å; L130-C158 HydrophobicContact CD2-CB 4.1Å |
| 131 | V | 97.3 | Very high | 96 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 126.6 | -171.8 | -172.7 | 0 | 0 | 0 | 0 | 110.4 | V87 L129 F140 M149 A151 N157 | V87-V131 HydrophobicContact CB-CG2 4.18Å; V87-V131 WeakPolarHBondContact O-CA 3.35Å; L129-V131 HydrophobicContact CB-CG2 4.12Å; L129-V131 PolarHBondContact O-N 3.19Å; V131-F140 HydrophobicContact CG1-CB 3.89Å; V131-M149 HydrophobicContact CB-CB 4.3Å; V131-M149 HydrophobicContact CB-CG 3.98Å; V131-M149 HydrophobicContact CG1-CG 4.5Å; V131-M149 HydrophobicContact CG2-CB 4.04Å; V131-M149 HydrophobicContact CG2-CG 4.09Å; V131-A151 HydrophobicContact CG1-CB 3.73Å; V131-N157 PolarHBondContact N-O 2.72Å; V131-N157 PolarHBondContact O-N 3.12Å |
| 132 | T | 98 | Very high | 96.1 | Very high | 12 Ų | 12 | 29.9 Ų | 29.9 | 7% | 0.074 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | -178.8 | 174 | -170.9 | 0 | 0 | 0 | 0 | 110.4 | V87 M88 G89 A151 V152 R155 I156 | V87-T132 PolarHBondContact O-N 3.19Å; M88-T132 VanDerWaalsContact CA-O 3.3Å; M88-T132 WeakPolarHBondContact CA-O 3.37Å; M88-T132 HydrophobicContact CE-CG2 3.83Å; M88-T132 HydrophobicContact SD-CG2 3.08Å; M88-T132 WeakPolarHBondContact SD-CG2 3.14Å; G89-T132 PolarHBondContact N-O 2.99Å; T132-A151 WeakPolarHBondContact O-CB 3.16Å; T132-V152 PolarHBondContact OG1-O 2.91Å; T132-R155 WeakPolarHBondContact CB-O 3.32Å; T132-R155 PolarHBondContact OG1-O 2.84Å; T132-I156 HydrophobicContact CG2-CG1 4.42Å |
| 133 | S | 98.2 | Very high | 96 | Very high | 7 Ų | 7 | 29.5 Ų | 29.5 | 5% | 0.049 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 151.1 | -178.1 | 175.7 | 0 | 0 | 0 | 0 | 111.5 | G89 D135 V136 H138 A151 | G89-S133 PolarHBondContact O-OG 2.96Å; S133-D135 PolarHBondContact OG-N 3.31Å; S133-D135 PolarHBondContact OG-OD1 2.83Å; S133-V136 WeakPolarHBondContact CB-O 3.5Å; S133-V136 PolarHBondContact OG-O 2.86Å; S133-H138 PolarHBondContact OG-CD2 2.89Å; S133-H138 VanDerWaalsContact OG-CD2 3.23Å; S133-A151 WeakPolarHBondContact CB-O 3.23Å |
| 134 | S | 97.5 | Very high | 96 | Very high | 63 Ų | 63 | 32.8 Ų | 32.8 | 44% | 0.441 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -88.4 | -22.5 | 174.3 | 64.9 | 0 | 0 | 0 | 0 | 113.6 | G89 H90 | G89-S134 PolarHBondContact O-N 2.74Å; G89-S134 VanDerWaalsContact O-N 3.08Å; G89-S134 PolarHBondContact O-OG 3.41Å; H90-S134 PolarHBondContact CE1-OG 2.97Å; H90-S134 WeakPolarHBondContact ND1-CB 3.41Å; H90-S134 PolarHBondContact ND1-OG 2.69Å |
| 135 | D | 96.5 | Very high | 96.1 | Very high | 59 Ų | 59 | 28.3 Ų | 28.3 | 32% | 0.316 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -130.7 | -80.8 | -167.6 | 50.9 | 18.3 | 0 | 0 | 0 | 113.3 | H90 Q91 S133 H138 P153 | H90-D135 WeakPolarHBondContact CA-OD2 3.38Å; Q91-D135 WeakPolarHBondContact CB-OD2 3.3Å; Q91-D135 WeakPolarHBondContact CG-OD2 3.38Å; Q91-D135 PolarHBondContact N-OD2 3.22Å; S133-D135 PolarHBondContact OG-N 3.31Å; S133-D135 PolarHBondContact OG-OD1 2.83Å; D135-H138 IonicContact OD1-CD2 3.96Å; D135-H138 IonicContact OD1-CE1 2.72Å; D135-H138 IonicContact OD1-NE2 3.47Å; D135-H138 PolarHBondContact OD1-NE2 3.11Å; D135-P153 VanDerWaalsContact O-CG 3.23Å; D135-P153 WeakPolarHBondContact O-CG 3.05Å |
| 136 | V | 97.3 | Very high | 96.1 | Very high | 51 Ų | 51 | 36.4 Ų | 36.4 | 31% | 0.309 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -113.8 | 173.3 | -177.5 | -63 | 0 | 0 | 0 | 0 | 110.7 | Q91 S133 H138 P153 C177 | Q91-V136 HydrophobicContact CG-CG2 4.04Å; S133-V136 WeakPolarHBondContact CB-O 3.5Å; S133-V136 PolarHBondContact OG-O 2.86Å; V136-H138 PolarHBondContact O-CD2 3.24Å; V136-H138 PolarHBondContact O-N 3.39Å; V136-P153 WeakPolarHBondContact O-CG 3.49Å; V136-C177 HydrophobicContact CG2-CB 3.82Å |
| 137 | M | 97.8 | Very high | 96.2 | Very high | 105 Ų | 105 | 34.5 Ų | 34.5 | 52% | 0.517 | 18% | 0.179 | S | C | . | . | trans | -68.2 | 130.4 | 173.3 | -63.8 | -173.9 | -62.1 | 0 | 0 | 110.3 | V152 E175 C177 | M137-V152 HydrophobicContact CG-CG1 4.5Å; M137-E175 HydrophobicContact CB-CG 4.31Å; M137-C177 VanDerWaalsContact O-CB 3.27Å; M137-C177 WeakPolarHBondContact O-CB 3.27Å | ||
| 138 | H | 98 | Very high | 96.3 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 179 | 167.4 | -53.9 | -98.4 | 0 | 0 | 0 | 108.9 | H90 W94 S133 D135 V136 A151 C177 M184 | H90-H138 PolarHBondContact O-CE1 2.57Å; W94-H138 HydrophobicContact CH2-CB 3.81Å; W94-H138 HydrophobicContact CZ2-CB 4.18Å; S133-H138 PolarHBondContact OG-CD2 2.89Å; S133-H138 VanDerWaalsContact OG-CD2 3.23Å; D135-H138 IonicContact OD1-CD2 3.96Å; D135-H138 IonicContact OD1-CE1 2.72Å; D135-H138 IonicContact OD1-NE2 3.47Å; D135-H138 PolarHBondContact OD1-NE2 3.11Å; V136-H138 PolarHBondContact O-CD2 3.24Å; V136-H138 PolarHBondContact O-N 3.39Å; H138-A151 HydrophobicContact CB-CB 4.01Å; H138-A151 PolarHBondContact N-O 2.88Å; H138-A151 PolarHBondContact O-N 2.83Å; H138-C177 VanDerWaalsContact ND1-CB 3.26Å; H138-C177 WeakPolarHBondContact ND1-CB 3.22Å; H138-C177 PolarHBondContact ND1-SG 3.23Å; H138-M184 HydrophobicContact CB-CE 4.3Å; H138-M184 VanDerWaalsContact ND1-CE 3.27Å; H138-M184 WeakPolarHBondContact ND1-CE 3.41Å |
| 139 | S | 97.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 121.3 | 170.5 | 165.5 | 0 | 0 | 0 | 0 | 110.8 | S141 D150 C173 S174 | S139-S141 PolarHBondContact O-N 2.88Å; S139-D150 PolarHBondContact OG-OD1 3.01Å; S139-C173 PolarHBondContact N-SG 3.41Å; S139-C173 VanDerWaalsContact N-SG 3.41Å; S139-C173 WeakPolarHBondContact O-CA 3.36Å; S139-S174 VanDerWaalsContact CB-OG 3.27Å; S139-S174 WeakPolarHBondContact CB-OG 3.18Å; S139-S174 PolarHBondContact O-N 3.32Å; S139-S174 PolarHBondContact OG-OG 2.74Å |
| 140 | F | 97.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 107.1 | 178.1 | -175.3 | -85.9 | 0 | 0 | 0 | 110.1 | V87 W94 Y96 L119 L129 V131 V142 M147 K148 M149 M186 V188 | V87-F140 HydrophobicContact CG1-CD2 3.4Å; V87-F140 VanDerWaalsContact CG1-CD2 3.4Å; V87-F140 HydrophobicContact CG1-CE2 3.7Å; V87-F140 HydrophobicContact CG1-CG 4.16Å; W94-F140 HydrophobicContact CD2-CD2 4.38Å; W94-F140 HydrophobicContact CE3-CD2 4Å; W94-F140 HydrophobicContact CH2-CB 3.95Å; W94-F140 HydrophobicContact CH2-CD2 4.33Å; W94-F140 HydrophobicContact CZ3-CB 4.06Å; W94-F140 AromaticContact CZ3-CD2 3.97Å; W94-F140 HydrophobicContact CZ3-CD2 3.97Å; Y96-F140 HydrophobicContact CE1-CE2 4.03Å; L119-F140 HydrophobicContact CD2-CZ 4.36Å; L129-F140 HydrophobicContact CD1-CE1 4.26Å; V131-F140 HydrophobicContact CG1-CB 3.89Å; F140-V142 HydrophobicContact CE1-CG2 3.84Å; F140-V142 HydrophobicContact CZ-CG2 3.99Å; F140-M147 HydrophobicContact CE1-CE 4.28Å; F140-K148 CarbonylContact O-C 3.6Å; F140-K148 VanDerWaalsContact O-CA 3.22Å; F140-K148 WeakPolarHBondContact O-CA 3.47Å; F140-M149 PolarHBondContact N-O 3Å; F140-M149 PolarHBondContact O-N 3.19Å; F140-M186 HydrophobicContact CB-CE 3.95Å; F140-M186 HydrophobicContact CB-SD 4.31Å; F140-M186 HydrophobicContact CD1-SD 4.09Å; F140-M186 HydrophobicContact CD2-CE 2.97Å; F140-M186 HydrophobicContact CD2-SD 3.37Å; F140-M186 WeakPolarHBondContact CD2-SD 3.36Å; F140-M186 HydrophobicContact CE1-SD 4.21Å; F140-M186 HydrophobicContact CE2-CB 4.12Å; F140-M186 HydrophobicContact CE2-CE 3.47Å; F140-M186 VanDerWaalsContact CE2-CE 3.47Å; F140-M186 HydrophobicContact CE2-CG 4.41Å; F140-M186 HydrophobicContact CE2-SD 3.48Å; F140-M186 WeakPolarHBondContact CE2-SD 3.36Å; F140-M186 HydrophobicContact CG-CE 3.61Å; F140-M186 HydrophobicContact CG-SD 3.66Å; F140-M186 HydrophobicContact CZ-CE 4.45Å; F140-M186 HydrophobicContact CZ-SD 3.92Å; F140-V188 HydrophobicContact CZ-CG2 4.11Å |
| 141 | S | 97.4 | Very high | 96.5 | Very high | 7 Ų | 7 | 42.4 Ų | 42.4 | 5% | 0.049 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 119 | -175.1 | -178.8 | 0 | 0 | 0 | 0 | 112 | S139 M147 G171 Y172 M186 | S139-S141 PolarHBondContact O-N 2.88Å; S141-M147 CarbonylContact C-O 3.6Å; S141-M147 WeakPolarHBondContact CA-O 3.49Å; S141-G171 CarbonylContact O-C 3.58Å; S141-G171 WeakPolarHBondContact O-CA 3.48Å; S141-Y172 WeakPolarHBondContact CB-O 3.42Å; S141-Y172 PolarHBondContact O-N 3.41Å; S141-M186 PolarHBondContact N-SD 3.09Å |
| 142 | V | 96.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 87.3 | 172.6 | -172.9 | 0 | 0 | 0 | 0 | 107.8 | F140 D144 L145 Y146 M147 F169 M186 V188 | F140-V142 HydrophobicContact CE1-CG2 3.84Å; F140-V142 HydrophobicContact CZ-CG2 3.99Å; V142-D144 VanDerWaalsContact C-N 3.33Å; V142-D144 PolarHBondContact O-N 2.93Å; V142-L145 HydrophobicContact CG1-CB 4.15Å; V142-L145 HydrophobicContact CG1-CD1 4.04Å; V142-L145 HydrophobicContact CG1-CG 4.11Å; V142-L145 PolarHBondContact O-N 2.89Å; V142-L145 VanDerWaalsContact O-N 3.07Å; V142-Y146 PolarHBondContact O-N 2.95Å; V142-M147 HydrophobicContact CB-CB 4.38Å; V142-M147 HydrophobicContact CB-CE 3.73Å; V142-M147 HydrophobicContact CG1-CE 4.18Å; V142-M147 HydrophobicContact CG2-CE 3.89Å; V142-M147 PolarHBondContact N-O 3.46Å; V142-M147 PolarHBondContact O-N 3.41Å; V142-F169 HydrophobicContact CG1-CB 3.79Å; V142-M186 HydrophobicContact CG2-CG 4.29Å; V142-M186 HydrophobicContact CG2-SD 3.9Å; V142-V188 HydrophobicContact CG2-CG2 3.89Å |
| 143 | P | 94.6 | Very high | 96.5 | Very high | 50 Ų | 50 | 45.7 Ų | 45.7 | 33% | 0.325 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -58.9 | -38.5 | -168.5 | -27.3 | 35.4 | 0 | 0 | 0 | 114.4 | L145 Y146 Y172 | P143-L145 PolarHBondContact O-N 2.89Å; P143-L145 VanDerWaalsContact O-N 3.16Å; P143-Y146 PolarHBondContact O-N 3.09Å; P143-Y172 HydrophobicContact CG-CE1 3.64Å |
| 144 | D | 93.8 | Very high | 96.4 | Very high | 86 Ų | 86 | 49.6 Ų | 49.6 | 46% | 0.46 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -65.2 | -19.5 | -179.6 | -72.5 | -21.4 | 0 | 0 | 0 | 113.5 | V142 R165 F169 | V142-D144 VanDerWaalsContact C-N 3.33Å; V142-D144 PolarHBondContact O-N 2.93Å; D144-R165 PolarHBondContact O-NH2 2.76Å; D144-F169 HydrophobicContact CB-CB 4.43Å; D144-F169 HydrophobicContact CB-CD1 3.51Å; D144-F169 HydrophobicContact CB-CE1 4.22Å; D144-F169 HydrophobicContact CB-CG 4.35Å |
| 145 | L | 94.4 | Very high | 96.3 | Very high | 22 Ų | 22 | 54 Ų | 54 | 12% | 0.115 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -103 | 6.1 | 175.3 | -66.8 | -178.7 | 0 | 0 | 0 | 112.4 | V142 P143 M147 L163 F169 V188 V190 | V142-L145 HydrophobicContact CG1-CB 4.15Å; V142-L145 HydrophobicContact CG1-CD1 4.04Å; V142-L145 HydrophobicContact CG1-CG 4.11Å; V142-L145 PolarHBondContact O-N 2.89Å; V142-L145 VanDerWaalsContact O-N 3.07Å; P143-L145 PolarHBondContact O-N 2.89Å; P143-L145 VanDerWaalsContact O-N 3.16Å; L145-M147 HydrophobicContact CB-CE 3.72Å; L145-M147 HydrophobicContact CB-CG 3.81Å; L145-M147 HydrophobicContact CB-SD 4.1Å; L145-M147 HydrophobicContact CD1-CE 3.47Å; L145-M147 VanDerWaalsContact CD1-CE 3.47Å; L145-M147 HydrophobicContact CD1-SD 4.39Å; L145-M147 HydrophobicContact CG-CE 4.23Å; L145-M147 WeakPolarHBondContact O-CG 3.39Å; L145-M147 PolarHBondContact O-N 2.96Å; L145-L163 HydrophobicContact CB-CD2 4.33Å; L145-L163 HydrophobicContact CD1-CD1 4.19Å; L145-L163 HydrophobicContact CD1-CD2 3.97Å; L145-L163 HydrophobicContact CD2-CD2 4.14Å; L145-L163 HydrophobicContact CG-CD2 4.37Å; L145-F169 HydrophobicContact CD1-CB 3.94Å; L145-F169 HydrophobicContact CD1-CD2 3.69Å; L145-F169 HydrophobicContact CD1-CE2 4.44Å; L145-F169 HydrophobicContact CD1-CG 3.92Å; L145-F169 HydrophobicContact CD2-CD1 4.13Å; L145-F169 HydrophobicContact CD2-CD2 3.66Å; L145-F169 HydrophobicContact CD2-CE1 4.13Å; L145-F169 HydrophobicContact CD2-CE2 3.69Å; L145-F169 HydrophobicContact CD2-CG 3.87Å; L145-F169 HydrophobicContact CD2-CZ 3.92Å; L145-F169 HydrophobicContact CG-CB 3.95Å; L145-F169 HydrophobicContact CG-CD1 4.2Å; L145-F169 HydrophobicContact CG-CD2 3.79Å; L145-F169 HydrophobicContact CG-CE2 4.34Å; L145-F169 HydrophobicContact CG-CG 3.69Å; L145-V188 HydrophobicContact CD1-CB 3.98Å; L145-V188 HydrophobicContact CD1-CG1 3.73Å; L145-V190 HydrophobicContact CD1-CG2 4.29Å |
| 146 | Y | 92.5 | Very high | 96.3 | Very high | 187 Ų | 187 | 56.6 Ų | 56.6 | 73% | 0.733 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 31.3 | -174.2 | -49.2 | -68.7 | 0 | 0 | 0 | 113 | V142 P143 | V142-Y146 PolarHBondContact O-N 2.95Å; P143-Y146 PolarHBondContact O-N 3.09Å |
| 147 | M | 93.6 | Very high | 96.1 | Very high | 4 Ų | 4 | 55.6 Ų | 55.6 | 2% | 0.02 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 122.2 | -179.7 | -59.1 | -171.4 | -53.9 | 0 | 0 | 108.7 | L129 F140 S141 V142 L145 L159 V161 L163 V188 | L129-M147 HydrophobicContact CD1-SD 4.09Å; F140-M147 HydrophobicContact CE1-CE 4.28Å; S141-M147 CarbonylContact C-O 3.6Å; S141-M147 WeakPolarHBondContact CA-O 3.49Å; V142-M147 HydrophobicContact CB-CB 4.38Å; V142-M147 HydrophobicContact CB-CE 3.73Å; V142-M147 HydrophobicContact CG1-CE 4.18Å; V142-M147 HydrophobicContact CG2-CE 3.89Å; V142-M147 PolarHBondContact N-O 3.46Å; V142-M147 PolarHBondContact O-N 3.41Å; L145-M147 HydrophobicContact CB-CE 3.72Å; L145-M147 HydrophobicContact CB-CG 3.81Å; L145-M147 HydrophobicContact CB-SD 4.1Å; L145-M147 HydrophobicContact CD1-CE 3.47Å; L145-M147 VanDerWaalsContact CD1-CE 3.47Å; L145-M147 HydrophobicContact CD1-SD 4.39Å; L145-M147 HydrophobicContact CG-CE 4.23Å; L145-M147 WeakPolarHBondContact O-CG 3.39Å; L145-M147 PolarHBondContact O-N 2.96Å; M147-L159 HydrophobicContact CB-CD2 3.9Å; M147-L159 HydrophobicContact CG-CD2 4.3Å; M147-V161 HydrophobicContact CG-CG1 3.99Å; M147-V161 HydrophobicContact SD-CB 4.04Å; M147-V161 HydrophobicContact SD-CG1 3.62Å; M147-V161 HydrophobicContact SD-CG2 4.28Å; M147-L163 HydrophobicContact SD-CD2 3.95Å; M147-V188 HydrophobicContact CE-CB 4.48Å; M147-V188 HydrophobicContact CE-CG1 4.39Å; M147-V188 HydrophobicContact CE-CG2 3.97Å |
| 148 | K | 95.8 | Very high | 95.8 | Very high | 122 Ų | 122 | 52.4 Ų | 52.4 | 53% | 0.53 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 127.8 | 167.7 | -179 | 176.5 | 169 | 172.9 | 0 | 108.8 | F140 S174 | F140-K148 CarbonylContact O-C 3.6Å; F140-K148 VanDerWaalsContact O-CA 3.22Å; F140-K148 WeakPolarHBondContact O-CA 3.47Å; K148-S174 WeakPolarHBondContact CE-OG 3.32Å; K148-S174 PolarHBondContact NZ-OG 3.44Å |
| 149 | M | 96.2 | Very high | 95.5 | Very high | 43 Ų | 43 | 54 Ų | 54 | 21% | 0.212 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 130.6 | 174.1 | -171.1 | 61 | 111 | 0 | 0 | 110.9 | V131 F140 N157 C158 L159 | V131-M149 HydrophobicContact CB-CB 4.3Å; V131-M149 HydrophobicContact CB-CG 3.98Å; V131-M149 HydrophobicContact CG1-CG 4.5Å; V131-M149 HydrophobicContact CG2-CB 4.04Å; V131-M149 HydrophobicContact CG2-CG 4.09Å; F140-M149 PolarHBondContact N-O 3Å; F140-M149 PolarHBondContact O-N 3.19Å; M149-N157 HydrophobicContact CE-CB 3.88Å; M149-N157 HydrophobicContact CG-CB 3.62Å; M149-N157 HydrophobicContact SD-CB 3.7Å; M149-C158 WeakPolarHBondContact CE-O 3.27Å; M149-L159 HydrophobicContact CB-CB 4.14Å; M149-L159 HydrophobicContact CB-CD2 4.22Å; M149-L159 HydrophobicContact CE-CB 4.01Å; M149-L159 HydrophobicContact CG-CB 4.3Å |
| 150 | D | 97.5 | Very high | 95.2 | Very high | 72 Ų | 72 | 55.4 Ų | 55.4 | 39% | 0.385 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 137.9 | 179.7 | -59.7 | -23 | 0 | 0 | 0 | 110.7 | S139 V152 N157 | S139-D150 PolarHBondContact OG-OD1 3.01Å; D150-V152 HydrophobicContact CB-CG2 4.14Å; D150-N157 PolarHBondContact O-ND2 3.35Å |
| 151 | A | 98.1 | Very high | 95 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 96.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | W94 V131 T132 S133 H138 | W94-A151 HydrophobicContact CH2-CB 4.29Å; W94-A151 HydrophobicContact CZ3-CB 4.25Å; V131-A151 HydrophobicContact CG1-CB 3.73Å; T132-A151 WeakPolarHBondContact O-CB 3.16Å; S133-A151 WeakPolarHBondContact CB-O 3.23Å; H138-A151 HydrophobicContact CB-CB 4.01Å; H138-A151 PolarHBondContact N-O 2.88Å; H138-A151 PolarHBondContact O-N 2.83Å |
| 152 | V | 97.7 | Very high | 94.7 | Very high | 30 Ų | 30 | 61 Ų | 61 | 18% | 0.182 | 33% | 0.33 | C | S | . | . | trans | -106.8 | 126.6 | -174 | -178 | 0 | 0 | 0 | 0 | 110.3 | T132 M137 D150 G154 R155 | T132-V152 PolarHBondContact OG1-O 2.91Å; M137-V152 HydrophobicContact CG-CG1 4.5Å; D150-V152 HydrophobicContact CB-CG2 4.14Å; V152-G154 PolarHBondContact O-N 3.31Å; V152-R155 HydrophobicContact CB-CB 4.26Å; V152-R155 HydrophobicContact CG1-CB 4.38Å; V152-R155 PolarHBondContact O-N 2.86Å; V152-R155 VanDerWaalsContact O-N 3.14Å | ||
| 153 | P | 97.7 | Very high | 94.6 | Very high | 50 Ų | 50 | 61.4 Ų | 61.4 | 33% | 0.325 | 33% | 0.331 | S | S | . | . | B | Isolated β-bridge | trans | -56.4 | 134.7 | 176.9 | -23 | 32 | 0 | 0 | 0 | 111.9 | D135 V136 R155 | D135-P153 VanDerWaalsContact O-CG 3.23Å; D135-P153 WeakPolarHBondContact O-CG 3.05Å; V136-P153 WeakPolarHBondContact O-CG 3.49Å; P153-R155 PolarHBondContact O-N 2.81Å |
| 154 | G | 96.4 | Very high | 94.4 | Very high | 90 Ų | 90 | 63.1 Ų | 63.1 | 93% | 0.928 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.2 | 1.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | V152 | V152-G154 PolarHBondContact O-N 3.31Š|
| 155 | R | 95.7 | Very high | 94.4 | Very high | 154 Ų | 154 | 64.8 Ų | 64.8 | 58% | 0.581 | 34% | 0.344 | S | S | * | . | trans | -129.4 | 134.1 | 174.4 | -176.2 | -171.3 | -62.8 | 179.4 | 1.6 | 110.6 | T132 V152 P153 N157 | T132-R155 WeakPolarHBondContact CB-O 3.32Å; T132-R155 PolarHBondContact OG1-O 2.84Å; V152-R155 HydrophobicContact CB-CB 4.26Å; V152-R155 HydrophobicContact CG1-CB 4.38Å; V152-R155 PolarHBondContact O-N 2.86Å; V152-R155 VanDerWaalsContact O-N 3.14Å; P153-R155 PolarHBondContact O-N 2.81Å; R155-N157 WeakPolarHBondContact CD-OD1 3.46Å | ||
| 156 | I | 94.6 | Very high | 94.5 | Very high | 114 Ų | 114 | 67.8 Ų | 67.8 | 59% | 0.585 | 36% | 0.36 | S | S | * | . | trans | -99.9 | 114 | 172.3 | -57.8 | 174 | 0 | 0 | 0 | 108.5 | L130 T132 | L130-I156 HydrophobicContact CB-CG2 3.8Å; L130-I156 HydrophobicContact CD2-CG2 4.17Å; L130-I156 HydrophobicContact CG-CG2 4.45Å; T132-I156 HydrophobicContact CG2-CG1 4.42Å | ||
| 157 | N | 93.3 | Very high | 94.7 | Very high | 30 Ų | 30 | 60.4 Ų | 60.4 | 16% | 0.16 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 131.7 | 172.6 | -72 | -22.1 | 0 | 0 | 0 | 109.3 | L130 V131 M149 D150 R155 | L130-N157 CarbonylContact C-O 3.58Å; V131-N157 PolarHBondContact N-O 2.72Å; V131-N157 PolarHBondContact O-N 3.12Å; M149-N157 HydrophobicContact CE-CB 3.88Å; M149-N157 HydrophobicContact CG-CB 3.62Å; M149-N157 HydrophobicContact SD-CB 3.7Å; D150-N157 PolarHBondContact O-ND2 3.35Å; R155-N157 WeakPolarHBondContact CD-OD1 3.46Å |
| 158 | C | 92.3 | Very high | 94.8 | Very high | 39 Ų | 39 | 64.7 Ų | 64.7 | 26% | 0.264 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 121.4 | -179.7 | -176 | 0 | 0 | 0 | 0 | 110.1 | C80 L129 L130 M149 | C80-C158 WeakPolarHBondContact CB-SG 3.36Å; C80-C158 WeakPolarHBondContact SG-CB 3.38Å; C80-C158 CovalentContact SG-SG 2.07Å; C80-C158 PolarHBondContact SG-SG 2.96Å; L129-C158 CarbonylContact O-C 3.55Å; L129-C158 WeakPolarHBondContact O-CA 3.26Å; L130-C158 HydrophobicContact CD2-CB 4.1Å; M149-C158 WeakPolarHBondContact CE-O 3.27Å |
| 159 | L | 92.1 | Very high | 94.8 | Very high | 33 Ų | 33 | 59.9 Ų | 59.9 | 17% | 0.173 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 110.8 | 172.3 | 177.3 | 69 | 0 | 0 | 0 | 109.2 | L129 M147 M149 V161 | L129-L159 HydrophobicContact CB-CB 4.28Å; L129-L159 HydrophobicContact CD1-CD2 4.41Å; L129-L159 PolarHBondContact N-O 3.35Å; L129-L159 PolarHBondContact O-N 3.23Å; M147-L159 HydrophobicContact CB-CD2 3.9Å; M147-L159 HydrophobicContact CG-CD2 4.3Å; M149-L159 HydrophobicContact CB-CB 4.14Å; M149-L159 HydrophobicContact CB-CD2 4.22Å; M149-L159 HydrophobicContact CE-CB 4.01Å; M149-L159 HydrophobicContact CG-CB 4.3Å; L159-V161 HydrophobicContact CD2-CG1 3.8Å; L159-V161 HydrophobicContact CG-CG1 3.66Å |
| 160 | G | 91.6 | Very high | 94.7 | Very high | 31 Ų | 31 | 61.4 Ų | 61.4 | 32% | 0.32 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 123.3 | 173 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y127 | Y127-G160 WeakPolarHBondContact O-CA 3.15Å |
| 161 | V | 91.9 | Very high | 94.6 | Very high | 10 Ų | 10 | 58.3 Ų | 58.3 | 6% | 0.061 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 139.8 | -177.7 | -54.4 | 0 | 0 | 0 | 0 | 112 | P126 Y127 L129 M147 L159 L163 | P126-V161 WeakPolarHBondContact CA-O 3.46Å; Y127-V161 PolarHBondContact N-O 3.08Å; Y127-V161 PolarHBondContact O-N 2.72Å; L129-V161 HydrophobicContact CD1-CG1 4.08Å; L129-V161 HydrophobicContact CD1-CG2 4.04Å; L129-V161 HydrophobicContact CD2-CG2 4.26Å; L129-V161 HydrophobicContact CG-CG1 4.3Å; L129-V161 HydrophobicContact CG-CG2 3.87Å; M147-V161 HydrophobicContact CG-CG1 3.99Å; M147-V161 HydrophobicContact SD-CB 4.04Å; M147-V161 HydrophobicContact SD-CG1 3.62Å; M147-V161 HydrophobicContact SD-CG2 4.28Å; L159-V161 HydrophobicContact CD2-CG1 3.8Å; L159-V161 HydrophobicContact CG-CG1 3.66Å; V161-L163 HydrophobicContact CB-CD2 4.38Å |
| 162 | M | 92.5 | Very high | 94.4 | Very high | 115 Ų | 115 | 64.7 Ų | 64.7 | 57% | 0.567 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 102.6 | 170.9 | -170.2 | -174.4 | 103.4 | 0 | 0 | 109 | S164 | M162-S164 PolarHBondContact O-N 3.47Å |
| 163 | L | 93.6 | Very high | 94.3 | Very high | 7 Ų | 7 | 63.5 Ų | 63.5 | 4% | 0.037 | 36% | 0.361 | C | S | . | . | trans | -81.9 | 122.5 | -169.5 | -53.1 | 179.8 | 0 | 0 | 0 | 110.5 | L121 M123 K124 L145 M147 V161 V188 V190 | L121-L163 HydrophobicContact CB-CD1 3.83Å; L121-L163 HydrophobicContact CD1-CD1 3.76Å; L121-L163 HydrophobicContact CG-CD1 4.43Å; M123-L163 WeakPolarHBondContact CG-O 3.41Å; K124-L163 PolarHBondContact N-O 2.81Å; L145-L163 HydrophobicContact CB-CD2 4.33Å; L145-L163 HydrophobicContact CD1-CD1 4.19Å; L145-L163 HydrophobicContact CD1-CD2 3.97Å; L145-L163 HydrophobicContact CD2-CD2 4.14Å; L145-L163 HydrophobicContact CG-CD2 4.37Å; M147-L163 HydrophobicContact SD-CD2 3.95Å; V161-L163 HydrophobicContact CB-CD2 4.38Å; L163-V188 HydrophobicContact CD1-CG1 4.18Å; L163-V190 HydrophobicContact CB-CG1 3.97Å; L163-V190 HydrophobicContact CB-CG2 4.14Å; L163-V190 HydrophobicContact CD1-CG1 4.36Å; L163-V190 HydrophobicContact CD1-CG2 3.46Å; L163-V190 VanDerWaalsContact CD1-CG2 3.46Å; L163-V190 HydrophobicContact CG-CG2 4.37Å | ||
| 164 | S | 91.7 | Very high | 94.3 | Very high | 86 Ų | 86 | 62.8 Ų | 62.8 | 60% | 0.601 | 36% | 0.357 | S | S | * | . | trans | -101.6 | -4.5 | -174.3 | 67.8 | 0 | 0 | 0 | 0 | 114.5 | M162 | M162-S164 PolarHBondContact O-N 3.47Š| ||
| 165 | R | 93.4 | Very high | 94.3 | Very high | 121 Ų | 121 | 62.1 Ų | 62.1 | 46% | 0.457 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -126.9 | 135.3 | -175.8 | -61.3 | -168.3 | -68.8 | 177.8 | -1.2 | 110 | D144 F169 V190 | D144-R165 PolarHBondContact O-NH2 2.76Å; R165-F169 HydrophobicContact CB-CZ 4.13Å; R165-V190 VanDerWaalsContact O-CB 3.31Å; R165-V190 WeakPolarHBondContact O-CB 3.29Å; R165-V190 VanDerWaalsContact O-CG1 3.22Å; R165-V190 WeakPolarHBondContact O-CG1 3.45Å |
| 166 | L | 96.3 | Very high | 94.3 | Very high | 86 Ų | 86 | 61.1 Ų | 61.1 | 45% | 0.45 | 34% | 0.335 | S | S | . | . | trans | -74.9 | 150.8 | 169 | -62 | 170.1 | 0 | 0 | 0 | 110.1 | M123 V190 M192 | M123-L166 HydrophobicContact CB-CD2 3.98Å; M123-L166 HydrophobicContact CE-CD2 4.35Å; M123-L166 HydrophobicContact CE-CG 4.45Å; M123-L166 HydrophobicContact CG-CD2 4.34Å; M123-L166 HydrophobicContact SD-CD2 3.81Å; M123-L166 HydrophobicContact SD-CG 3.72Å; L166-V190 WeakPolarHBondContact CD2-O 3.44Å; L166-M192 HydrophobicContact CD1-CG 3.79Å; L166-M192 HydrophobicContact CD1-SD 3.45Å; L166-M192 WeakPolarHBondContact CD1-SD 3.23Å; L166-M192 HydrophobicContact CD2-CG 3.82Å; L166-M192 HydrophobicContact CD2-SD 3.71Å; L166-M192 HydrophobicContact CG-CG 4.44Å; L166-M192 HydrophobicContact CG-SD 4.04Å | ||
| 167 | G | 95.8 | Very high | 94.4 | Very high | 32 Ų | 32 | 56.2 Ų | 56.2 | 33% | 0.33 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 145.2 | -178.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | V190 | G167-V190 PolarHBondContact N-O 3.44Å; G167-V190 PolarHBondContact O-N 3.39Å |
| 168 | V | 95.7 | Very high | 94.5 | Very high | 94 Ų | 94 | 56.2 Ų | 56.2 | 57% | 0.57 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 120 | 173.2 | -179.1 | 0 | 0 | 0 | 0 | 106.8 | V187 E189 | V168-V187 HydrophobicContact CG1-CG1 3.33Å; V168-E189 HydrophobicContact CG2-CG 4.13Å |
| 169 | F | 95.9 | Very high | 94.6 | Very high | 20 Ų | 20 | 61.2 Ų | 61.2 | 9% | 0.088 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 120.6 | -175.7 | -57.4 | -81.2 | 0 | 0 | 0 | 108.9 | V142 D144 L145 R165 V187 V188 V190 | V142-F169 HydrophobicContact CG1-CB 3.79Å; D144-F169 HydrophobicContact CB-CB 4.43Å; D144-F169 HydrophobicContact CB-CD1 3.51Å; D144-F169 HydrophobicContact CB-CE1 4.22Å; D144-F169 HydrophobicContact CB-CG 4.35Å; L145-F169 HydrophobicContact CD1-CB 3.94Å; L145-F169 HydrophobicContact CD1-CD2 3.69Å; L145-F169 HydrophobicContact CD1-CE2 4.44Å; L145-F169 HydrophobicContact CD1-CG 3.92Å; L145-F169 HydrophobicContact CD2-CD1 4.13Å; L145-F169 HydrophobicContact CD2-CD2 3.66Å; L145-F169 HydrophobicContact CD2-CE1 4.13Å; L145-F169 HydrophobicContact CD2-CE2 3.69Å; L145-F169 HydrophobicContact CD2-CG 3.87Å; L145-F169 HydrophobicContact CD2-CZ 3.92Å; L145-F169 HydrophobicContact CG-CB 3.95Å; L145-F169 HydrophobicContact CG-CD1 4.2Å; L145-F169 HydrophobicContact CG-CD2 3.79Å; L145-F169 HydrophobicContact CG-CE2 4.34Å; L145-F169 HydrophobicContact CG-CG 3.69Å; R165-F169 HydrophobicContact CB-CZ 4.13Å; F169-V187 WeakPolarHBondContact O-CA 3.42Å; F169-V188 PolarHBondContact N-O 2.86Å; F169-V188 PolarHBondContact O-N 3.47Å; F169-V190 HydrophobicContact CD2-CG2 3.88Å; F169-V190 HydrophobicContact CE2-CB 4.23Å; F169-V190 HydrophobicContact CE2-CG2 3.71Å |
| 170 | T | 94.8 | Very high | 94.7 | Very high | 76 Ų | 76 | 60 Ų | 60 | 47% | 0.466 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 147.8 | 177 | 56 | 0 | 0 | 0 | 0 | 109.9 | M186 V187 | T170-M186 CarbonylContact C-O 3.54Å; T170-V187 HydrophobicContact CG2-CG2 4.29Å |
| 171 | G | 95.4 | Very high | 94.8 | Very high | 6 Ų | 6 | 60.8 Ų | 60.8 | 6% | 0.062 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 176.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | S141 M186 | S141-G171 CarbonylContact O-C 3.58Å; S141-G171 WeakPolarHBondContact O-CA 3.48Å; G171-M186 PolarHBondContact N-O 3.33Å; G171-M186 PolarHBondContact O-N 3.12Å; G171-M186 VanDerWaalsContact O-N 3.12Å |
| 172 | Y | 94.6 | Very high | 94.8 | Very high | 135 Ų | 135 | 64.1 Ų | 64.1 | 53% | 0.529 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 159.8 | -174.1 | 49.2 | -93.5 | 0 | 0 | 0 | 110 | S141 P143 S174 | S141-Y172 WeakPolarHBondContact CB-O 3.42Å; S141-Y172 PolarHBondContact O-N 3.41Å; P143-Y172 HydrophobicContact CG-CE1 3.64Å; Y172-S174 PolarHBondContact O-N 2.9Å |
| 173 | C | 96.1 | Very high | 94.8 | Very high | 4 Ų | 4 | 64.8 Ų | 64.8 | 3% | 0.027 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 122.3 | 168.3 | -165.3 | 0 | 0 | 0 | 0 | 109.1 | S139 E175 H181 M184 | S139-C173 PolarHBondContact N-SG 3.41Å; S139-C173 VanDerWaalsContact N-SG 3.41Å; S139-C173 WeakPolarHBondContact O-CA 3.36Å; C173-E175 PolarHBondContact SG-O 3.47Å; C173-H181 PolarHBondContact O-CE1 2.9Å; C173-M184 HydrophobicContact CB-CE 3.48Å; C173-M184 VanDerWaalsContact CB-CE 3.48Å; C173-M184 HydrophobicContact CB-CG 4.01Å; C173-M184 HydrophobicContact CB-SD 3.83Å; C173-M184 VanDerWaalsContact SG-CE 3.58Å |
| 174 | S | 96.4 | Very high | 94.9 | Very high | 36 Ų | 36 | 64.6 Ų | 64.6 | 25% | 0.252 | 36% | 0.362 | S | S | . | . | trans | -96.6 | 8.5 | 178.7 | 92.7 | 0 | 0 | 0 | 0 | 113.9 | S139 K148 Y172 | S139-S174 VanDerWaalsContact CB-OG 3.27Å; S139-S174 WeakPolarHBondContact CB-OG 3.18Å; S139-S174 PolarHBondContact O-N 3.32Å; S139-S174 PolarHBondContact OG-OG 2.74Å; K148-S174 WeakPolarHBondContact CE-OG 3.32Å; K148-S174 PolarHBondContact NZ-OG 3.44Å; Y172-S174 PolarHBondContact O-N 2.9Å | ||
| 175 | E | 96.3 | Very high | 95.1 | Very high | 76 Ų | 76 | 61.1 Ų | 61.1 | 36% | 0.355 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -126.7 | 130 | -179.5 | -179.7 | 58.5 | -153 | 0 | 0 | 108.4 | M137 C173 C177 H181 | M137-E175 HydrophobicContact CB-CG 4.31Å; C173-E175 PolarHBondContact SG-O 3.47Å; E175-C177 PolarHBondContact O-N 2.98Å; E175-C177 PolarHBondContact O-SG 3.43Å; E175-H181 VanDerWaalsContact C-CE1 3.43Å; E175-H181 PolarHBondContact O-CE1 3.41Å; E175-H181 PolarHBondContact O-ND1 3.27Å |
| 176 | L | 95.8 | Very high | 95.1 | Very high | 132 Ų | 132 | 55.4 Ų | 55.4 | 69% | 0.691 | 32% | 0.316 | S | S | * | . | trans | -68.6 | 96.2 | -177.4 | -179.4 | 65.5 | 0 | 0 | 0 | 110.2 | H181 | L176-H181 HydrophobicContact CD1-CB 3.99Š| ||
| 177 | C | 96.1 | Very high | 95.1 | Very high | 11 Ų | 11 | 51.8 Ų | 51.8 | 7% | 0.074 | 30% | 0.298 | C | S | . | . | trans | -88.8 | -13.2 | -177.3 | 36.1 | 0 | 0 | 0 | 0 | 113.6 | Q91 W92 V136 M137 H138 E175 H181 M184 | Q91-C177 PolarHBondContact NE2-O 2.78Å; W92-C177 HydrophobicContact CH2-CB 4.37Å; W92-C177 WeakPolarHBondContact CH2-O 3.12Å; W92-C177 HydrophobicContact CZ3-CB 3.61Å; W92-C177 WeakPolarHBondContact CZ3-SG 3.21Å; V136-C177 HydrophobicContact CG2-CB 3.82Å; M137-C177 VanDerWaalsContact O-CB 3.27Å; M137-C177 WeakPolarHBondContact O-CB 3.27Å; H138-C177 VanDerWaalsContact ND1-CB 3.26Å; H138-C177 WeakPolarHBondContact ND1-CB 3.22Å; H138-C177 PolarHBondContact ND1-SG 3.23Å; E175-C177 PolarHBondContact O-N 2.98Å; E175-C177 PolarHBondContact O-SG 3.43Å; C177-H181 PolarHBondContact SG-ND1 3.24Å; C177-M184 PolarHBondContact SG-SD 3.42Å | ||
| 178 | G | 96.1 | Very high | 95.2 | Very high | 31 Ų | 31 | 50.3 Ų | 50.3 | 32% | 0.32 | 28% | 0.282 | S | S | . | . | S | Bend | trans | 132.4 | -150.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | G180 H181 | G178-G180 VanDerWaalsContact C-N 3.33Å; G178-G180 PolarHBondContact O-N 2.91Å; G178-H181 WeakPolarHBondContact O-CB 3.28Å; G178-H181 PolarHBondContact O-N 2.74Å |
| 179 | V | 94.8 | Very high | 95.3 | Very high | 144 Ų | 144 | 48 Ų | 48 | 87% | 0.873 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -40.3 | -163.9 | -179.6 | 0 | 0 | 0 | 0 | 114.3 | W92 | W92-V179 HydrophobicContact CZ2-CB 4.37Å; W92-V179 VanDerWaalsContact CZ2-N 3.31Å |
| 180 | G | 93.5 | Very high | 95.3 | Very high | 6 Ų | 6 | 47.3 Ų | 47.3 | 6% | 0.062 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | 16.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | W92 G178 A182 Y183 | W92-G180 VanDerWaalsContact CG-CA 3.44Å; G178-G180 VanDerWaalsContact C-N 3.33Å; G178-G180 PolarHBondContact O-N 2.91Å; G180-A182 PolarHBondContact O-N 3.03Å; G180-A182 VanDerWaalsContact O-N 3.13Å; G180-Y183 PolarHBondContact O-N 3.02Å |
| 181 | H | 94 | Very high | 95.4 | Very high | 49 Ų | 49 | 46 Ų | 46 | 23% | 0.227 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -50.1 | -39.4 | -177 | 165.8 | 71.2 | 0 | 0 | 0 | 113.9 | W92 C173 E175 L176 C177 G178 Y183 M184 | W92-H181 VanDerWaalsContact CE3-N 3.35Å; W92-H181 HydrophobicContact CZ3-CB 4.39Å; C173-H181 PolarHBondContact O-CE1 2.9Å; E175-H181 VanDerWaalsContact C-CE1 3.43Å; E175-H181 PolarHBondContact O-CE1 3.41Å; E175-H181 PolarHBondContact O-ND1 3.27Å; L176-H181 HydrophobicContact CD1-CB 3.99Å; C177-H181 PolarHBondContact SG-ND1 3.24Å; G178-H181 WeakPolarHBondContact O-CB 3.28Å; G178-H181 PolarHBondContact O-N 2.74Å; H181-Y183 VanDerWaalsContact C-N 3.31Å; H181-Y183 PolarHBondContact O-N 3.17Å; H181-M184 WeakPolarHBondContact O-CG 3.38Å |
| 182 | A | 91.6 | Very high | 95.3 | Very high | 79 Ų | 79 | 50.4 Ų | 50.4 | 65% | 0.653 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -78.2 | -11.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | G180 | G180-A182 PolarHBondContact O-N 3.03Å; G180-A182 VanDerWaalsContact O-N 3.13Å |
| 183 | Y | 93.3 | Very high | 94.9 | Very high | 129 Ų | 129 | 45.5 Ų | 45.5 | 51% | 0.506 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -110.9 | 31.2 | -169.9 | -55.6 | -70.1 | 0 | 0 | 0 | 113 | M108 L111 G180 H181 P185 | M108-Y183 HydrophobicContact CE-CD1 4.15Å; M108-Y183 VanDerWaalsContact SD-CA 3.59Å; M108-Y183 HydrophobicContact SD-CD1 4.18Å; M108-Y183 VanDerWaalsContact SD-O 3.41Å; L111-Y183 HydrophobicContact CD1-CD1 4.25Å; L111-Y183 HydrophobicContact CD1-CE1 3.84Å; G180-Y183 PolarHBondContact O-N 3.02Å; H181-Y183 VanDerWaalsContact C-N 3.31Å; H181-Y183 PolarHBondContact O-N 3.17Å; Y183-P185 VanDerWaalsContact C-CD 3.46Å |
| 184 | M | 95 | Very high | 94.1 | Very high | 3 Ų | 3 | 55.1 Ų | 55.1 | 2% | 0.015 | 30% | 0.299 | C | S | . | . | trans | -133.4 | 57.2 | 179.4 | 51.5 | 179.1 | -77.8 | 0 | 0 | 111.4 | W92 W94 H138 C173 C177 H181 | W92-M184 VanDerWaalsContact C-CB 3.49Å; W92-M184 HydrophobicContact CB-CB 4.04Å; W92-M184 HydrophobicContact CB-CG 4.48Å; W92-M184 HydrophobicContact CB-SD 4.45Å; W92-M184 HydrophobicContact CE3-SD 3.7Å; W92-M184 HydrophobicContact CZ3-SD 4.47Å; W92-M184 VanDerWaalsContact O-CB 3.29Å; W92-M184 WeakPolarHBondContact O-CB 3.34Å; W94-M184 VanDerWaalsContact CE2-CE 3.43Å; W94-M184 HydrophobicContact CH2-CE 4.34Å; W94-M184 HydrophobicContact CZ2-CE 3.29Å; W94-M184 PolarHBondContact NE1-O 2.77Å; W94-M184 VanDerWaalsContact NE1-O 3.09Å; H138-M184 HydrophobicContact CB-CE 4.3Å; H138-M184 VanDerWaalsContact ND1-CE 3.27Å; H138-M184 WeakPolarHBondContact ND1-CE 3.41Å; C173-M184 HydrophobicContact CB-CE 3.48Å; C173-M184 VanDerWaalsContact CB-CE 3.48Å; C173-M184 HydrophobicContact CB-CG 4.01Å; C173-M184 HydrophobicContact CB-SD 3.83Å; C173-M184 VanDerWaalsContact SG-CE 3.58Å; C177-M184 PolarHBondContact SG-SD 3.42Å; H181-M184 WeakPolarHBondContact O-CG 3.38Å | ||
| 185 | P | 95.4 | Very high | 92.7 | Very high | 14 Ų | 14 | 62.9 Ų | 62.9 | 9% | 0.091 | 33% | 0.328 | C | S | . | . | trans | -62.4 | 156.4 | 178.9 | 29.7 | -34.9 | 0 | 0 | 0 | 110.5 | M108 V115 Y183 | M108-P185 HydrophobicContact CB-CG 4.17Å; M108-P185 HydrophobicContact CG-CG 3.85Å; M108-P185 HydrophobicContact SD-CG 4.27Å; V115-P185 HydrophobicContact CG1-CB 4.38Å; V115-P185 HydrophobicContact CG1-CG 3.89Å; V115-P185 VanDerWaalsContact CG1-O 3.28Å; V115-P185 WeakPolarHBondContact CG1-O 3.32Å; Y183-P185 VanDerWaalsContact C-CD 3.46Å | ||
| 186 | M | 94.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 138.8 | 173.5 | 41.2 | 178.3 | 60.4 | 0 | 0 | 108.3 | W94 F140 S141 V142 T170 G171 | W94-M186 HydrophobicContact CD2-CE 3.5Å; W94-M186 VanDerWaalsContact CD2-CE 3.5Å; W94-M186 HydrophobicContact CE3-CE 4.03Å; W94-M186 HydrophobicContact CG-CE 4.07Å; W94-M186 HydrophobicContact CH2-CE 3.68Å; W94-M186 HydrophobicContact CZ2-CE 3.1Å; W94-M186 HydrophobicContact CZ3-CE 4.11Å; W94-M186 VanDerWaalsContact NE1-CE 3.27Å; F140-M186 HydrophobicContact CB-CE 3.95Å; F140-M186 HydrophobicContact CB-SD 4.31Å; F140-M186 HydrophobicContact CD1-SD 4.09Å; F140-M186 HydrophobicContact CD2-CE 2.97Å; F140-M186 HydrophobicContact CD2-SD 3.37Å; F140-M186 WeakPolarHBondContact CD2-SD 3.36Å; F140-M186 HydrophobicContact CE1-SD 4.21Å; F140-M186 HydrophobicContact CE2-CB 4.12Å; F140-M186 HydrophobicContact CE2-CE 3.47Å; F140-M186 VanDerWaalsContact CE2-CE 3.47Å; F140-M186 HydrophobicContact CE2-CG 4.41Å; F140-M186 HydrophobicContact CE2-SD 3.48Å; F140-M186 WeakPolarHBondContact CE2-SD 3.36Å; F140-M186 HydrophobicContact CG-CE 3.61Å; F140-M186 HydrophobicContact CG-SD 3.66Å; F140-M186 HydrophobicContact CZ-CE 4.45Å; F140-M186 HydrophobicContact CZ-SD 3.92Å; S141-M186 PolarHBondContact N-SD 3.09Å; V142-M186 HydrophobicContact CG2-CG 4.29Å; V142-M186 HydrophobicContact CG2-SD 3.9Å; T170-M186 CarbonylContact C-O 3.54Å; G171-M186 PolarHBondContact N-O 3.33Å; G171-M186 PolarHBondContact O-N 3.12Å; G171-M186 VanDerWaalsContact O-N 3.12Å |
| 187 | V | 96.6 | Very high | 90.2 | Very high | 11 Ų | 11 | 62.8 Ų | 62.8 | 7% | 0.067 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 122 | -179.6 | -179.3 | 0 | 0 | 0 | 0 | 107.7 | G113 V115 P118 L119 V168 F169 T170 | G113-V187 WeakPolarHBondContact O-CG2 3.44Å; V115-V187 HydrophobicContact CB-CG2 4.32Å; V115-V187 HydrophobicContact CG1-CG2 4.03Å; V115-V187 HydrophobicContact CG2-CB 3.57Å; V115-V187 HydrophobicContact CG2-CG2 3.59Å; P118-V187 CarbonylContact C-O 3.48Å; P118-V187 WeakPolarHBondContact CA-O 3.37Å; P118-V187 HydrophobicContact CB-CB 3.95Å; P118-V187 HydrophobicContact CB-CG1 3.85Å; P118-V187 WeakPolarHBondContact CB-O 3.43Å; L119-V187 PolarHBondContact N-O 3.27Å; V168-V187 HydrophobicContact CG1-CG1 3.33Å; F169-V187 WeakPolarHBondContact O-CA 3.42Å; T170-V187 HydrophobicContact CG2-CG2 4.29Å |
| 188 | V | 97.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 119.1 | 174.7 | 179.1 | 0 | 0 | 0 | 0 | 108.2 | L119 L121 F140 V142 L145 M147 L163 F169 V190 | L119-V188 HydrophobicContact CB-CG2 4.33Å; L119-V188 HydrophobicContact CD2-CG2 4.34Å; L119-V188 CarbonylContact O-C 3.55Å; L119-V188 VanDerWaalsContact O-CA 3.32Å; L119-V188 WeakPolarHBondContact O-CA 3.03Å; L121-V188 HydrophobicContact CD1-CG1 4.09Å; F140-V188 HydrophobicContact CZ-CG2 4.11Å; V142-V188 HydrophobicContact CG2-CG2 3.89Å; L145-V188 HydrophobicContact CD1-CB 3.98Å; L145-V188 HydrophobicContact CD1-CG1 3.73Å; M147-V188 HydrophobicContact CE-CB 4.48Å; M147-V188 HydrophobicContact CE-CG1 4.39Å; M147-V188 HydrophobicContact CE-CG2 3.97Å; L163-V188 HydrophobicContact CD1-CG1 4.18Å; F169-V188 PolarHBondContact N-O 2.86Å; F169-V188 PolarHBondContact O-N 3.47Å; V188-V190 HydrophobicContact CG1-CG2 4.3Å |
| 189 | E | 96.8 | Very high | 89.6 | Confident | 47 Ų | 47 | 67.4 Ų | 67.4 | 22% | 0.22 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 116.7 | 177 | -177.1 | -179 | -169.4 | 0 | 0 | 108.8 | P118 L119 R120 L121 V168 V191 | P118-E189 HydrophobicContact CB-CB 4.34Å; P118-E189 HydrophobicContact CG-CB 4.45Å; L119-E189 PolarHBondContact O-N 2.81Å; R120-E189 WeakPolarHBondContact CA-O 3.32Å; R120-E189 HydrophobicContact CG-CB 4.05Å; R120-E189 HydrophobicContact CG-CG 4.46Å; R120-E189 WeakPolarHBondContact CG-OE2 3.47Å; R120-E189 IonicContact CZ-OE2 2.96Å; R120-E189 IonicContact NE-OE2 2.78Å; R120-E189 PolarHBondContact NE-OE2 3.13Å; R120-E189 IonicContact NH2-OE2 3.79Å; R120-E189 PolarHBondContact NH2-OE2 2.99Å; L121-E189 PolarHBondContact N-O 2.94Å; V168-E189 HydrophobicContact CG2-CG 4.13Å; E189-V191 HydrophobicContact CG-CG1 3.84Å |
| 190 | V | 97.4 | Very high | 89.3 | Confident | 5 Ų | 5 | 62.9 Ų | 62.9 | 3% | 0.03 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 110.6 | 178.7 | -170.3 | 0 | 0 | 0 | 0 | 109 | L121 M123 L145 L163 R165 L166 G167 F169 V188 | L121-V190 WeakPolarHBondContact O-CA 3.06Å; M123-V190 HydrophobicContact CB-CG1 3.91Å; M123-V190 HydrophobicContact CG-CG1 4.34Å; L145-V190 HydrophobicContact CD1-CG2 4.29Å; L163-V190 HydrophobicContact CB-CG1 3.97Å; L163-V190 HydrophobicContact CB-CG2 4.14Å; L163-V190 HydrophobicContact CD1-CG1 4.36Å; L163-V190 HydrophobicContact CD1-CG2 3.46Å; L163-V190 VanDerWaalsContact CD1-CG2 3.46Å; L163-V190 HydrophobicContact CG-CG2 4.37Å; R165-V190 VanDerWaalsContact O-CB 3.31Å; R165-V190 WeakPolarHBondContact O-CB 3.29Å; R165-V190 VanDerWaalsContact O-CG1 3.22Å; R165-V190 WeakPolarHBondContact O-CG1 3.45Å; L166-V190 WeakPolarHBondContact CD2-O 3.44Å; G167-V190 PolarHBondContact N-O 3.44Å; G167-V190 PolarHBondContact O-N 3.39Å; F169-V190 HydrophobicContact CD2-CG2 3.88Å; F169-V190 HydrophobicContact CE2-CB 4.23Å; F169-V190 HydrophobicContact CE2-CG2 3.71Å; V188-V190 HydrophobicContact CG1-CG2 4.3Å |
| 191 | V | 96.2 | Very high | 89 | Confident | 48 Ų | 48 | 66.4 Ų | 66.4 | 29% | 0.291 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 158.9 | -176.8 | -56.1 | 0 | 0 | 0 | 0 | 111.6 | L121 L122 M123 E189 N193 | L121-V191 PolarHBondContact O-N 2.84Å; L122-V191 HydrophobicContact CD2-CG2 3.6Å; M123-V191 PolarHBondContact N-O 3.39Å; E189-V191 HydrophobicContact CG-CG1 3.84Å; V191-N193 PolarHBondContact O-N 3.07Å |
| 192 | M | 94.3 | Very high | 88.7 | Confident | 99 Ų | 99 | 67.6 Ų | 67.6 | 49% | 0.488 | 33% | 0.333 | S | S | . | . | trans | -62.4 | 133.6 | 177.6 | -75.6 | -67.2 | -82.7 | 0 | 0 | 111.2 | M123 L166 K194 | M123-M192 HydrophobicContact CE-CE 4.46Å; M123-M192 HydrophobicContact CE-SD 3.55Å; M123-M192 VanDerWaalsContact CE-SD 3.55Å; L166-M192 HydrophobicContact CD1-CG 3.79Å; L166-M192 HydrophobicContact CD1-SD 3.45Å; L166-M192 WeakPolarHBondContact CD1-SD 3.23Å; L166-M192 HydrophobicContact CD2-CG 3.82Å; L166-M192 HydrophobicContact CD2-SD 3.71Å; L166-M192 HydrophobicContact CG-CG 4.44Å; L166-M192 HydrophobicContact CG-SD 4.04Å; M192-K194 PolarHBondContact O-N 3.11Å | ||
| 193 | N | 84.9 | Confident | 88.5 | Confident | 32 Ų | 32 | 66.8 Ų | 66.8 | 17% | 0.171 | 31% | 0.31 | C | S | . | . | trans | -73.9 | 111.6 | 168.3 | -174.9 | -2.6 | 0 | 0 | 0 | 108.5 | L122 V191 K195 M196 | L122-N193 HydrophobicContact CB-CB 4.37Å; V191-N193 PolarHBondContact O-N 3.07Å; N193-K195 PolarHBondContact O-N 2.79Å; N193-K195 PolarHBondContact OD1-N 3.22Å; N193-M196 PolarHBondContact O-N 2.91Å; N193-M196 VanDerWaalsContact O-N 3.08Å | ||
| 194 | K | 79.6 | Confident | 88.1 | Confident | 206 Ų | 206 | 62 Ų | 62 | 90% | 0.896 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -11.2 | 179.9 | -69 | -174.9 | 178.6 | -178.7 | 0 | 114.2 | M192 M196 | M192-K194 PolarHBondContact O-N 3.11Å; K194-M196 VanDerWaalsContact C-N 3.33Å |
| 195 | K | 66.2 | Low | 87.5 | Confident | 198 Ų | 198 | 66.9 Ų | 66.9 | 86% | 0.861 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | 3.1 | 176.4 | -66.3 | -174.2 | 177.4 | -179.9 | 0 | 114.1 | N193 | N193-K195 PolarHBondContact O-N 2.79Å; N193-K195 PolarHBondContact OD1-N 3.22Å |
| 196 | M | 50.6 | Low | 86.8 | Confident | 143 Ų | 143 | 71.7 Ų | 71.7 | 70% | 0.704 | 34% | 0.339 | S | S | * | . | trans | -107.7 | 0 | 167.7 | -77.8 | 178 | 26.1 | 0 | 0 | 110 | M123 K124 N193 K194 | M123-M196 HydrophobicContact CE-CE 4.2Å; K124-M196 HydrophobicContact CD-CE 4.5Å; K124-M196 HydrophobicContact CD-SD 4.08Å; N193-M196 PolarHBondContact O-N 2.91Å; N193-M196 VanDerWaalsContact O-N 3.08Å; K194-M196 VanDerWaalsContact C-N 3.33Å |
Retrieved 196 of 196 residues in 39.4 ms
(Link to these results)