| 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 | 68.8 | Low | 85.3 | Confident | 199 Ų | 199 | 109.5 Ų | 109.5 | 98% | 0.98 | 60% | 0.603 | S | S | * | * | 0 | -56.1 | 0 | -83.1 | -168.2 | -84.2 | 0 | 0 | 113.2 | K3 L4 I5 | M1-K3 PolarHBondContact O-N 3.44Å; M1-L4 WeakPolarHBondContact O-CB 3.47Å; M1-L4 PolarHBondContact O-N 3.27Å; M1-I5 WeakPolarHBondContact O-CG1 3.38Å; M1-I5 PolarHBondContact O-N 2.99Å | |||
| 2 | A | 78.9 | Confident | 85.6 | Confident | 73 Ų | 73 | 109.6 Ų | 109.6 | 60% | 0.603 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -53.7 | -45.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | L4 I5 V6 | A2-L4 VanDerWaalsContact C-N 3.32Å; A2-L4 PolarHBondContact O-N 3.12Å; A2-I5 PolarHBondContact O-N 2.88Å; A2-V6 WeakPolarHBondContact O-CG2 3.41Å; A2-V6 PolarHBondContact O-N 2.92Å |
| 3 | K | 81.9 | Confident | 85.8 | Confident | 181 Ų | 181 | 104.2 Ų | 104.2 | 79% | 0.787 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -62.3 | -36.2 | 176.9 | -68 | -175.9 | 178.4 | -177.3 | 0 | 113.4 | M1 L7 | M1-K3 PolarHBondContact O-N 3.44Å; K3-L7 WeakPolarHBondContact O-CG 3.08Å; K3-L7 PolarHBondContact O-N 2.94Å; K3-L7 VanDerWaalsContact O-N 3.13Å |
| 4 | L | 84.9 | Confident | 86.1 | Confident | 120 Ų | 120 | 104.2 Ų | 104.2 | 63% | 0.628 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -70.7 | -42.7 | 177.7 | -174.1 | 66 | 0 | 0 | 0 | 110.5 | M1 A2 V6 L7 T8 | M1-L4 WeakPolarHBondContact O-CB 3.47Å; M1-L4 PolarHBondContact O-N 3.27Å; A2-L4 VanDerWaalsContact C-N 3.32Å; A2-L4 PolarHBondContact O-N 3.12Å; L4-V6 PolarHBondContact O-N 3.25Å; L4-L7 PolarHBondContact O-N 2.74Å; L4-T8 PolarHBondContact O-N 3.1Å; L4-T8 PolarHBondContact O-OG1 3.28Å |
| 5 | I | 86.7 | Confident | 86 | Confident | 96 Ų | 96 | 100.6 Ų | 100.6 | 49% | 0.492 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -59.8 | -45.6 | 175.8 | -65.5 | 167.1 | 0 | 0 | 0 | 110.9 | M1 A2 L7 T8 L9 | M1-I5 WeakPolarHBondContact O-CG1 3.38Å; M1-I5 PolarHBondContact O-N 2.99Å; A2-I5 PolarHBondContact O-N 2.88Å; I5-L7 PolarHBondContact O-N 3.18Å; I5-T8 PolarHBondContact O-N 2.79Å; I5-L9 HydrophobicContact CG2-CD1 3.97Å; I5-L9 HydrophobicContact CG2-CG 4.38Å; I5-L9 WeakPolarHBondContact O-CB 3.36Å; I5-L9 WeakPolarHBondContact O-CG 3.39Å; I5-L9 PolarHBondContact O-N 2.77Å |
| 6 | V | 88.9 | Confident | 86.2 | Confident | 95 Ų | 95 | 101.8 Ų | 101.8 | 58% | 0.576 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -61.3 | -44.8 | 177.4 | 171.6 | 0 | 0 | 0 | 0 | 111.5 | A2 L4 L9 L10 | A2-V6 WeakPolarHBondContact O-CG2 3.41Å; A2-V6 PolarHBondContact O-N 2.92Å; L4-V6 PolarHBondContact O-N 3.25Å; V6-L9 PolarHBondContact O-N 3.41Å; V6-L10 WeakPolarHBondContact O-CB 3.49Å; V6-L10 PolarHBondContact O-N 3.24Å |
| 7 | L | 89 | Confident | 86.5 | Confident | 116 Ų | 116 | 102.5 Ų | 102.5 | 61% | 0.607 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -65.2 | -38.5 | 177.4 | -73.2 | 170.2 | 0 | 0 | 0 | 112.3 | K3 L4 I5 L10 G11 | K3-L7 WeakPolarHBondContact O-CG 3.08Å; K3-L7 PolarHBondContact O-N 2.94Å; K3-L7 VanDerWaalsContact O-N 3.13Å; L4-L7 PolarHBondContact O-N 2.74Å; I5-L7 PolarHBondContact O-N 3.18Å; L7-L10 PolarHBondContact O-N 3.39Å; L7-G11 PolarHBondContact O-N 3.23Å |
| 8 | T | 89.3 | Confident | 86.7 | Confident | 74 Ų | 74 | 105 Ų | 105 | 45% | 0.454 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -64.7 | -46.3 | 175.2 | -58.5 | 0 | 0 | 0 | 0 | 111.5 | L4 I5 L10 G11 M12 | L4-T8 PolarHBondContact O-N 3.1Å; L4-T8 PolarHBondContact O-OG1 3.28Å; I5-T8 PolarHBondContact O-N 2.79Å; T8-L10 VanDerWaalsContact C-N 3.35Å; T8-L10 PolarHBondContact O-N 3.19Å; T8-G11 PolarHBondContact O-N 3.07Å; T8-M12 HydrophobicContact CG2-SD 4.25Å; T8-M12 WeakPolarHBondContact O-CG 3.3Å; T8-M12 PolarHBondContact O-N 3.32Å |
| 9 | L | 90.8 | Very high | 87 | Confident | 109 Ų | 109 | 105.2 Ų | 105.2 | 57% | 0.571 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -63.4 | -40.5 | 177 | -70.9 | 174.2 | 0 | 0 | 0 | 111.9 | I5 V6 M12 G13 | I5-L9 HydrophobicContact CG2-CD1 3.97Å; I5-L9 HydrophobicContact CG2-CG 4.38Å; I5-L9 WeakPolarHBondContact O-CB 3.36Å; I5-L9 WeakPolarHBondContact O-CG 3.39Å; I5-L9 PolarHBondContact O-N 2.77Å; V6-L9 PolarHBondContact O-N 3.41Å; L9-M12 PolarHBondContact O-N 2.7Å; L9-G13 PolarHBondContact O-N 2.84Å |
| 10 | L | 91.1 | Very high | 87.3 | Confident | 102 Ų | 102 | 102.1 Ų | 102.1 | 53% | 0.534 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.9 | -45.9 | 174.4 | -179.5 | 64.6 | 0 | 0 | 0 | 111.3 | V6 L7 T8 M12 G13 L14 | V6-L10 WeakPolarHBondContact O-CB 3.49Å; V6-L10 PolarHBondContact O-N 3.24Å; L7-L10 PolarHBondContact O-N 3.39Å; T8-L10 VanDerWaalsContact C-N 3.35Å; T8-L10 PolarHBondContact O-N 3.19Å; L10-M12 PolarHBondContact O-N 3.15Å; L10-G13 PolarHBondContact O-N 2.89Å; L10-L14 HydrophobicContact CD1-CD1 4.36Å; L10-L14 HydrophobicContact CD1-CG 4.37Å; L10-L14 HydrophobicContact CG-CD1 4.14Å; L10-L14 WeakPolarHBondContact O-CG 3.49Å; L10-L14 PolarHBondContact O-N 2.91Å |
| 11 | G | 88.3 | Confident | 87.6 | Confident | 39 Ų | 39 | 101.5 Ų | 101.5 | 40% | 0.402 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -60.1 | -44.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L7 T8 L14 A15 | L7-G11 PolarHBondContact O-N 3.23Å; T8-G11 PolarHBondContact O-N 3.07Å; G11-L14 PolarHBondContact O-N 3.48Å; G11-A15 WeakPolarHBondContact O-CB 3.3Å; G11-A15 PolarHBondContact O-N 2.92Å |
| 12 | M | 88.6 | Confident | 88.8 | Confident | 111 Ų | 111 | 98.8 Ų | 98.8 | 55% | 0.547 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.6 | -44.7 | 173.9 | -72.7 | 175.6 | 64.5 | 0 | 0 | 111.7 | T8 L9 L10 L14 A15 L16 | T8-M12 HydrophobicContact CG2-SD 4.25Å; T8-M12 WeakPolarHBondContact O-CG 3.3Å; T8-M12 PolarHBondContact O-N 3.32Å; L9-M12 PolarHBondContact O-N 2.7Å; L10-M12 PolarHBondContact O-N 3.15Å; M12-L14 PolarHBondContact O-N 3.28Å; M12-A15 PolarHBondContact O-N 3.34Å; M12-L16 WeakPolarHBondContact O-CB 3.33Å; M12-L16 VanDerWaalsContact O-CG 3.31Å; M12-L16 WeakPolarHBondContact O-CG 3.05Å; M12-L16 PolarHBondContact O-N 2.9Å |
| 13 | G | 88.7 | Confident | 89.6 | Confident | 39 Ų | 39 | 97.9 Ų | 97.9 | 40% | 0.402 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.5 | -44.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L9 L10 L16 F17 | L9-G13 PolarHBondContact O-N 2.84Å; L10-G13 PolarHBondContact O-N 2.89Å; G13-L16 PolarHBondContact O-N 2.81Å; G13-F17 WeakPolarHBondContact O-CB 3.08Å; G13-F17 PolarHBondContact O-N 3.1Å |
| 14 | L | 89.1 | Confident | 90.3 | Very high | 105 Ų | 105 | 91 Ų | 91 | 55% | 0.55 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.4 | -40 | 176.2 | -71.1 | 171.9 | 0 | 0 | 0 | 112.3 | L10 G11 M12 F17 K18 | L10-L14 HydrophobicContact CD1-CD1 4.36Å; L10-L14 HydrophobicContact CD1-CG 4.37Å; L10-L14 HydrophobicContact CG-CD1 4.14Å; L10-L14 WeakPolarHBondContact O-CG 3.49Å; L10-L14 PolarHBondContact O-N 2.91Å; G11-L14 PolarHBondContact O-N 3.48Å; M12-L14 PolarHBondContact O-N 3.28Å; L14-F17 PolarHBondContact O-N 2.93Å; L14-K18 WeakPolarHBondContact O-CB 3.15Å; L14-K18 PolarHBondContact O-N 2.82Å |
| 15 | A | 85.1 | Confident | 90.9 | Very high | 50 Ų | 50 | 89.1 Ų | 89.1 | 41% | 0.413 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.6 | -43.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | G11 M12 K18 N19 | G11-A15 WeakPolarHBondContact O-CB 3.3Å; G11-A15 PolarHBondContact O-N 2.92Å; M12-A15 PolarHBondContact O-N 3.34Å; A15-K18 PolarHBondContact O-N 2.98Å; A15-N19 WeakPolarHBondContact O-CB 3.36Å; A15-N19 VanDerWaalsContact O-CG 3.25Å; A15-N19 PolarHBondContact O-N 2.79Å |
| 16 | L | 89.7 | Confident | 91.4 | Very high | 119 Ų | 119 | 88 Ų | 88 | 62% | 0.623 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -61.7 | -45.7 | 175.1 | -72.2 | 171.4 | 0 | 0 | 0 | 111.6 | M12 G13 K18 N19 H20 | M12-L16 WeakPolarHBondContact O-CB 3.33Å; M12-L16 VanDerWaalsContact O-CG 3.31Å; M12-L16 WeakPolarHBondContact O-CG 3.05Å; M12-L16 PolarHBondContact O-N 2.9Å; G13-L16 PolarHBondContact O-N 2.81Å; L16-K18 PolarHBondContact O-N 2.88Å; L16-N19 PolarHBondContact O-N 2.87Å; L16-H20 WeakPolarHBondContact O-CB 3.48Å; L16-H20 PolarHBondContact O-N 2.79Å |
| 17 | F | 90.4 | Very high | 91.9 | Very high | 115 Ų | 115 | 84.4 Ų | 84.4 | 50% | 0.504 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -60.4 | -45.5 | 176.7 | 179.9 | -97.8 | 0 | 0 | 0 | 112 | G13 L14 H20 Q21 | G13-F17 WeakPolarHBondContact O-CB 3.08Å; G13-F17 PolarHBondContact O-N 3.1Å; L14-F17 PolarHBondContact O-N 2.93Å; F17-H20 PolarHBondContact O-N 2.96Å; F17-Q21 WeakPolarHBondContact O-CB 3.28Å; F17-Q21 PolarHBondContact O-N 3.46Å |
| 18 | K | 91.1 | Very high | 92.3 | Very high | 147 Ų | 147 | 79 Ų | 79 | 64% | 0.639 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -63 | -44.1 | 177.8 | -175.3 | -178.4 | 177.2 | -176.1 | 0 | 112.1 | L14 A15 L16 H20 Q21 F22 | L14-K18 WeakPolarHBondContact O-CB 3.15Å; L14-K18 PolarHBondContact O-N 2.82Å; A15-K18 PolarHBondContact O-N 2.98Å; L16-K18 PolarHBondContact O-N 2.88Å; K18-H20 VanDerWaalsContact C-N 3.33Å; K18-Q21 PolarHBondContact O-N 3.12Å; K18-F22 PolarHBondContact O-N 2.84Å |
| 19 | N | 92.1 | Very high | 92.7 | Very high | 108 Ų | 108 | 76.4 Ų | 76.4 | 58% | 0.578 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -63.6 | -41.2 | 177.5 | -72.6 | -8 | 0 | 0 | 0 | 111.3 | A15 L16 F22 S23 | A15-N19 WeakPolarHBondContact O-CB 3.36Å; A15-N19 VanDerWaalsContact O-CG 3.25Å; A15-N19 PolarHBondContact O-N 2.79Å; L16-N19 PolarHBondContact O-N 2.87Å; N19-F22 PolarHBondContact O-N 2.56Å; N19-S23 WeakPolarHBondContact O-CB 3.43Å; N19-S23 PolarHBondContact O-N 3.13Å |
| 20 | H | 93.3 | Very high | 93 | Very high | 44 Ų | 44 | 72.4 Ų | 72.4 | 20% | 0.204 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -63.3 | -45.6 | 175.5 | 179.9 | 65 | 0 | 0 | 0 | 111.8 | L16 F17 K18 F22 S23 Y24 Y197 | L16-H20 WeakPolarHBondContact O-CB 3.48Å; L16-H20 PolarHBondContact O-N 2.79Å; F17-H20 PolarHBondContact O-N 2.96Å; K18-H20 VanDerWaalsContact C-N 3.33Å; H20-F22 VanDerWaalsContact C-N 3.32Å; H20-F22 PolarHBondContact O-N 3.15Å; H20-S23 PolarHBondContact O-N 2.87Å; H20-Y24 WeakPolarHBondContact O-CB 3.48Å; H20-Y24 PolarHBondContact O-N 3.12Å; H20-Y197 AromaticContact CD2-CZ 3.82Å; H20-Y197 PolarHBondContact CE1-O 3.16Å; H20-Y197 AromaticContact NE2-CD1 3.86Å; H20-Y197 AromaticContact NE2-CE1 3.34Å; H20-Y197 VanDerWaalsContact NE2-CE1 3.34Å; H20-Y197 WeakPolarHBondContact NE2-CE1 3.3Å; H20-Y197 AromaticContact NE2-CE2 3.73Å; H20-Y197 AromaticContact NE2-CZ 3.26Å; H20-Y197 VanDerWaalsContact NE2-CZ 3.26Å |
| 21 | Q | 93.1 | Very high | 93.2 | Very high | 89 Ų | 89 | 74.8 Ų | 74.8 | 42% | 0.416 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -59.3 | -42.6 | 176 | -175.6 | 179.2 | 4.7 | 0 | 0 | 112 | F17 K18 Y24 Q25 | F17-Q21 WeakPolarHBondContact O-CB 3.28Å; F17-Q21 PolarHBondContact O-N 3.46Å; K18-Q21 PolarHBondContact O-N 3.12Å; Q21-Y24 PolarHBondContact O-N 3.46Å; Q21-Q25 WeakPolarHBondContact O-CB 3.44Å; Q21-Q25 VanDerWaalsContact O-CG 3.32Å; Q21-Q25 WeakPolarHBondContact O-CG 3.34Å; Q21-Q25 PolarHBondContact O-N 2.91Å |
| 22 | F | 94.3 | Very high | 93.6 | Very high | 142 Ų | 142 | 75.5 Ų | 75.5 | 62% | 0.623 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -62.3 | -48.1 | 175.5 | -179.7 | -98.8 | 0 | 0 | 0 | 111.4 | K18 N19 H20 Y24 Q25 T26 | K18-F22 PolarHBondContact O-N 2.84Å; N19-F22 PolarHBondContact O-N 2.56Å; H20-F22 VanDerWaalsContact C-N 3.32Å; H20-F22 PolarHBondContact O-N 3.15Å; F22-Y24 VanDerWaalsContact C-N 3.34Å; F22-Y24 PolarHBondContact O-N 2.8Å; F22-Q25 PolarHBondContact O-N 3.44Å; F22-T26 PolarHBondContact O-N 2.58Å; F22-T26 PolarHBondContact O-OG1 2.83Å; F22-T26 VanDerWaalsContact O-OG1 3.13Å |
| 23 | S | 96.2 | Very high | 93.9 | Very high | 55 Ų | 55 | 75.8 Ų | 75.8 | 39% | 0.385 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -57.9 | -45 | 176.1 | 173.1 | 0 | 0 | 0 | 0 | 112.1 | N19 H20 Q25 T26 R27 | N19-S23 WeakPolarHBondContact O-CB 3.43Å; N19-S23 PolarHBondContact O-N 3.13Å; H20-S23 PolarHBondContact O-N 2.87Å; S23-Q25 PolarHBondContact O-N 2.8Å; S23-T26 PolarHBondContact O-N 3.23Å; S23-R27 VanDerWaalsContact O-CG 3.27Å; S23-R27 WeakPolarHBondContact O-CG 3.26Å; S23-R27 PolarHBondContact O-N 3.26Å |
| 24 | Y | 95.9 | Very high | 94.2 | Very high | 37 Ų | 37 | 74.7 Ų | 74.7 | 15% | 0.145 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61.8 | -43.4 | 177.3 | -174.9 | -103.7 | 0 | 0 | 0 | 112.1 | H20 Q21 F22 R27 L28 Y197 F293 | H20-Y24 WeakPolarHBondContact O-CB 3.48Å; H20-Y24 PolarHBondContact O-N 3.12Å; Q21-Y24 PolarHBondContact O-N 3.46Å; F22-Y24 VanDerWaalsContact C-N 3.34Å; F22-Y24 PolarHBondContact O-N 2.8Å; Y24-R27 PolarHBondContact O-N 2.94Å; Y24-L28 HydrophobicContact CD1-CD1 4.07Å; Y24-L28 HydrophobicContact CE1-CD1 3.43Å; Y24-L28 VanDerWaalsContact CE1-CD1 3.43Å; Y24-L28 HydrophobicContact CE2-CD1 3.91Å; Y24-L28 PolarHBondContact O-N 2.69Å; Y24-L28 WeakPolarHBondContact OH-CD1 3.48Å; Y24-Y197 AromaticContact CD2-CD2 3.92Å; Y24-Y197 HydrophobicContact CD2-CD2 3.92Å; Y24-Y197 HydrophobicContact CD2-CE2 4.38Å; Y24-Y197 AromaticContact CE2-CD2 3.67Å; Y24-Y197 HydrophobicContact CE2-CD2 3.67Å; Y24-Y197 HydrophobicContact CE2-CE2 4.4Å; Y24-Y197 HydrophobicContact CG-CD2 4.5Å; Y24-F293 WeakPolarHBondContact OH-CZ 3.42Å |
| 25 | Q | 96.6 | Very high | 94.5 | Very high | 79 Ų | 79 | 76.6 Ų | 76.6 | 37% | 0.369 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64.8 | -38.3 | 175.8 | -75 | 177.6 | -23.2 | 0 | 0 | 112.8 | Q21 F22 S23 N29 A30 | Q21-Q25 WeakPolarHBondContact O-CB 3.44Å; Q21-Q25 VanDerWaalsContact O-CG 3.32Å; Q21-Q25 WeakPolarHBondContact O-CG 3.34Å; Q21-Q25 PolarHBondContact O-N 2.91Å; F22-Q25 PolarHBondContact O-N 3.44Å; S23-Q25 PolarHBondContact O-N 2.8Å; Q25-N29 PolarHBondContact O-N 2.88Å; Q25-N29 VanDerWaalsContact O-N 3.1Å; Q25-A30 HydrophobicContact CB-CB 4.32Å; Q25-A30 HydrophobicContact CG-CB 4.43Å; Q25-A30 PolarHBondContact O-N 2.82Å |
| 26 | T | 97.9 | Very high | 94.9 | Very high | 72 Ų | 72 | 78 Ų | 78 | 44% | 0.442 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -65.3 | -49 | 175 | -61.5 | 0 | 0 | 0 | 0 | 111 | F22 S23 L28 N29 H243 | F22-T26 PolarHBondContact O-N 2.58Å; F22-T26 PolarHBondContact O-OG1 2.83Å; F22-T26 VanDerWaalsContact O-OG1 3.13Å; S23-T26 PolarHBondContact O-N 3.23Å; T26-L28 VanDerWaalsContact C-N 3.27Å; T26-L28 PolarHBondContact O-N 2.8Å; T26-N29 PolarHBondContact O-N 3.02Å; T26-H243 PolarHBondContact O-CE1 3.06Å |
| 27 | R | 98.4 | Very high | 95.3 | Very high | 21 Ų | 21 | 75 Ų | 75 | 8% | 0.079 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -58.1 | -38.7 | 178.5 | -71.3 | 166.7 | 66.6 | -137 | -2.7 | 112.5 | S23 Y24 N29 M196 Y197 G199 D221 L241 H243 | S23-R27 VanDerWaalsContact O-CG 3.27Å; S23-R27 WeakPolarHBondContact O-CG 3.26Å; S23-R27 PolarHBondContact O-N 3.26Å; Y24-R27 PolarHBondContact O-N 2.94Å; R27-N29 VanDerWaalsContact C-N 3.3Å; R27-N29 PolarHBondContact O-N 2.55Å; R27-M196 VanDerWaalsContact CZ-O 3.25Å; R27-M196 PolarHBondContact NH1-O 2.93Å; R27-M196 PolarHBondContact NH2-O 3.3Å; R27-Y197 PolarHBondContact NH1-O 2.63Å; R27-G199 VanDerWaalsContact CZ-CA 3.41Å; R27-G199 VanDerWaalsContact NH1-CA 3.3Å; R27-D221 IonicContact CZ-OD1 3.82Å; R27-D221 IonicContact CZ-OD2 2.67Å; R27-D221 VanDerWaalsContact CZ-OD2 3.3Å; R27-D221 IonicContact NE-OD1 3.88Å; R27-D221 IonicContact NE-OD2 2.76Å; R27-D221 PolarHBondContact NE-OD2 3.29Å; R27-D221 IonicContact NH2-OD1 2.71Å; R27-D221 PolarHBondContact NH2-OD1 3.18Å; R27-D221 IonicContact NH2-OD2 3.67Å; R27-D221 PolarHBondContact NH2-OD2 2.78Å; R27-D221 VanDerWaalsContact NH2-OD2 3.15Å; R27-L241 WeakPolarHBondContact CA-O 3.39Å; R27-L241 HydrophobicContact CB-CB 4.45Å; R27-L241 VanDerWaalsContact NH2-CD1 3.34Å; R27-H243 PolarHBondContact O-NE2 2.9Å |
| 28 | L | 98.2 | Very high | 95.3 | Very high | 2 Ų | 2 | 77.6 Ų | 77.6 | 1% | 0.01 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | 1.6 | 175.9 | -65.9 | -176.5 | 0 | 0 | 0 | 114.5 | Y24 T26 A30 L241 G288 M289 F292 F293 | Y24-L28 HydrophobicContact CD1-CD1 4.07Å; Y24-L28 HydrophobicContact CE1-CD1 3.43Å; Y24-L28 VanDerWaalsContact CE1-CD1 3.43Å; Y24-L28 HydrophobicContact CE2-CD1 3.91Å; Y24-L28 PolarHBondContact O-N 2.69Å; Y24-L28 WeakPolarHBondContact OH-CD1 3.48Å; T26-L28 VanDerWaalsContact C-N 3.27Å; T26-L28 PolarHBondContact O-N 2.8Å; L28-A30 PolarHBondContact O-N 2.86Å; L28-A30 VanDerWaalsContact O-N 3.1Å; L28-L241 HydrophobicContact CD2-CD2 3.82Å; L28-G288 WeakPolarHBondContact O-CA 3.38Å; L28-G288 PolarHBondContact O-N 3.44Å; L28-M289 HydrophobicContact CB-CG 4.17Å; L28-M289 HydrophobicContact CB-SD 4.29Å; L28-M289 HydrophobicContact CD1-CG 4.3Å; L28-M289 HydrophobicContact CD1-SD 3.41Å; L28-M289 WeakPolarHBondContact CD1-SD 3.46Å; L28-F292 HydrophobicContact CD2-CD2 3.64Å; L28-F292 HydrophobicContact CD2-CE2 3.84Å; L28-F293 HydrophobicContact CD1-CE2 4.18Å |
| 29 | N | 98.2 | Very high | 95.5 | Very high | 20 Ų | 20 | 72 Ų | 72 | 11% | 0.107 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 45.3 | 41.5 | -174.9 | -150.5 | 12.2 | 0 | 0 | 0 | 113.7 | Q25 T26 R27 L31 R32 N265 L267 P286 | Q25-N29 PolarHBondContact O-N 2.88Å; Q25-N29 VanDerWaalsContact O-N 3.1Å; T26-N29 PolarHBondContact O-N 3.02Å; R27-N29 VanDerWaalsContact C-N 3.3Å; R27-N29 PolarHBondContact O-N 2.55Å; N29-L31 PolarHBondContact O-N 3.27Å; N29-R32 HydrophobicContact CB-CB 4.31Å; N29-R32 VanDerWaalsContact CG-CB 3.44Å; N29-R32 VanDerWaalsContact ND2-CB 3.27Å; N29-R32 WeakPolarHBondContact ND2-CB 3.49Å; N29-R32 WeakPolarHBondContact ND2-CG 3.37Å; N29-R32 WeakPolarHBondContact O-CB 3.23Å; N29-R32 PolarHBondContact O-N 2.84Å; N29-N265 PolarHBondContact ND2-O 3.38Å; N29-N265 PolarHBondContact OD1-OD1 2.83Å; N29-L267 HydrophobicContact CB-CD1 3.55Å; N29-P286 WeakPolarHBondContact CB-O 3.45Å; N29-P286 PolarHBondContact ND2-O 3.37Å |
| 30 | A | 96.3 | Very high | 95.3 | Very high | 25 Ų | 25 | 70.2 Ų | 70.2 | 21% | 0.207 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -18 | -161.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q25 L28 N287 M289 | Q25-A30 HydrophobicContact CB-CB 4.32Å; Q25-A30 HydrophobicContact CG-CB 4.43Å; Q25-A30 PolarHBondContact O-N 2.82Å; L28-A30 PolarHBondContact O-N 2.86Å; L28-A30 VanDerWaalsContact O-N 3.1Å; A30-N287 PolarHBondContact O-ND2 3.17Å; A30-M289 HydrophobicContact CB-CG 3.51Å |
| 31 | L | 95.3 | Very high | 95.4 | Very high | 152 Ų | 152 | 73.7 Ų | 73.7 | 80% | 0.796 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.9 | -2 | -177.4 | -58 | 178.9 | 0 | 0 | 0 | 113.4 | N29 | N29-L31 PolarHBondContact O-N 3.27Š|
| 32 | R | 97.4 | Very high | 95.5 | Very high | 54 Ų | 54 | 71.4 Ų | 71.4 | 20% | 0.204 | 37% | 0.372 | C | S | . | . | trans | -74.6 | 130.8 | -178.5 | 177.8 | 67.6 | -169.3 | -97.4 | -7 | 110.1 | N29 N265 P286 N287 E303 | N29-R32 HydrophobicContact CB-CB 4.31Å; N29-R32 VanDerWaalsContact CG-CB 3.44Å; N29-R32 VanDerWaalsContact ND2-CB 3.27Å; N29-R32 WeakPolarHBondContact ND2-CB 3.49Å; N29-R32 WeakPolarHBondContact ND2-CG 3.37Å; N29-R32 WeakPolarHBondContact O-CB 3.23Å; N29-R32 PolarHBondContact O-N 2.84Å; R32-N265 PolarHBondContact NH1-ND2 3.08Å; R32-N265 PolarHBondContact NH1-O 2.86Å; R32-P286 VanDerWaalsContact CB-O 3.25Å; R32-P286 WeakPolarHBondContact CB-O 3.48Å; R32-P286 HydrophobicContact CG-CB 4.16Å; R32-P286 VanDerWaalsContact CG-O 3.28Å; R32-P286 WeakPolarHBondContact CG-O 3.25Å; R32-N287 PolarHBondContact O-ND2 2.76Å; R32-E303 IonicContact NH2-OE1 3.3Å; R32-E303 PolarHBondContact NH2-OE1 3.09Å | ||
| 33 | E | 94.7 | Very high | 95.7 | Very high | 116 Ų | 116 | 69.7 Ų | 69.7 | 54% | 0.542 | 37% | 0.369 | S | S | . | . | trans | -113.3 | 161.7 | 168.2 | -64.9 | -60.8 | 161.3 | 0 | 0 | 109.9 | K290 | E33-K290 IonicContact OE1-NZ 3.99Å; E33-K290 IonicContact OE2-NZ 3.96Å; E33-K290 PolarHBondContact OE2-NZ 3.45Å | ||
| 34 | V | 95.4 | Very high | 95.8 | Very high | 16 Ų | 16 | 70.4 Ų | 70.4 | 10% | 0.097 | 37% | 0.368 | C | S | . | . | trans | -106.9 | 128.7 | -174.8 | 179.4 | 0 | 0 | 0 | 0 | 110.5 | P286 A301 A322 | V34-P286 HydrophobicContact CG2-CB 3.4Å; V34-P286 VanDerWaalsContact CG2-CB 3.4Å; V34-P286 HydrophobicContact CG2-CG 3.51Å; V34-A301 HydrophobicContact CB-CB 4.28Å; V34-A301 HydrophobicContact CG2-CB 3.49Å; V34-A301 VanDerWaalsContact CG2-CB 3.49Å; V34-A322 HydrophobicContact CG1-CB 3.68Å | ||
| 35 | Q | 94.1 | Very high | 95.9 | Very high | 145 Ų | 145 | 69 Ų | 69 | 68% | 0.678 | 36% | 0.363 | S | S | * | . | trans | -87.7 | 126.4 | 164.4 | -66.1 | -58.9 | -46.4 | 0 | 0 | 107.7 | I37 | Q35-I37 PolarHBondContact O-N 3.08Š| ||
| 36 | P | 94.8 | Very high | 95.9 | Very high | 81 Ų | 81 | 73 Ų | 73 | 53% | 0.526 | 38% | 0.379 | S | S | . | . | trans | -61.7 | 134.8 | -177.7 | -24.5 | 34.1 | 0 | 0 | 0 | 112.6 | A322 | P36-A322 CarbonylContact C-O 3.58Å; P36-A322 VanDerWaalsContact CA-O 3.25Å; P36-A322 WeakPolarHBondContact CA-O 3.43Å | ||
| 37 | I | 96.9 | Very high | 95.8 | Very high | 55 Ų | 55 | 72.5 Ų | 72.5 | 28% | 0.282 | 39% | 0.389 | S | S | . | . | B | Isolated β-bridge | trans | -122.8 | 106.3 | 164.4 | -61.5 | -172 | 0 | 0 | 0 | 106.3 | Q35 Q319 V320 A322 | Q35-I37 PolarHBondContact O-N 3.08Å; I37-Q319 HydrophobicContact CD1-CB 3.76Å; I37-Q319 HydrophobicContact CD1-CG 3.74Å; I37-Q319 WeakPolarHBondContact CD1-O 3.37Å; I37-V320 WeakPolarHBondContact CG2-O 3.39Å; I37-A322 HydrophobicContact CB-CB 4.2Å; I37-A322 HydrophobicContact CG1-CB 4.36Å; I37-A322 PolarHBondContact N-O 3.23Å; I37-A322 PolarHBondContact O-N 3.44Å; I37-A322 VanDerWaalsContact O-N 3.08Å |
| 38 | E | 91.4 | Very high | 95.7 | Very high | 170 Ų | 170 | 71.5 Ų | 71.5 | 79% | 0.794 | 39% | 0.385 | S | S | * | . | trans | -86.8 | 142 | -178.3 | -63.1 | 179.5 | -177.3 | 0 | 0 | 110.6 | ||||
| 39 | L | 95.1 | Very high | 95.7 | Very high | 28 Ų | 28 | 75.9 Ų | 75.9 | 15% | 0.147 | 41% | 0.405 | C | S | . | . | trans | -107.5 | 148.8 | 167 | -73.9 | 174.6 | 0 | 0 | 0 | 109.7 | V320 Y321 L341 C353 L355 | L39-V320 HydrophobicContact CD1-CG1 4.32Å; L39-V320 HydrophobicContact CD2-CG1 4.33Å; L39-Y321 HydrophobicContact CD1-CD2 4.21Å; L39-Y321 HydrophobicContact CG-CD2 4.28Å; L39-L341 HydrophobicContact CD1-CD2 3.59Å; L39-C353 HydrophobicContact CB-CB 4.28Å; L39-C353 HydrophobicContact CD1-CB 3.97Å; L39-L355 HydrophobicContact CD1-CD2 4.16Å; L39-L355 HydrophobicContact CD2-CD2 4.38Å | ||
| 40 | P | 88.4 | Confident | 95.6 | Very high | 72 Ų | 72 | 76.7 Ų | 76.7 | 47% | 0.468 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | 143.4 | 173.3 | 27.7 | -31.9 | 0 | 0 | 0 | 110.7 | C42 E354 | P40-C42 PolarHBondContact O-N 3.33Å; P40-E354 HydrophobicContact CG-CB 4.32Å; P40-E354 PolarHBondContact O-N 3.02Å |
| 41 | N | 94 | Very high | 95.6 | Very high | 117 Ų | 117 | 75.5 Ų | 75.5 | 63% | 0.626 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 44 | 167.8 | -59.6 | -23.7 | 0 | 0 | 0 | 115.8 | N43 E354 | N41-N43 PolarHBondContact O-ND2 2.84Å; N41-E354 HydrophobicContact CB-CG 3.76Å |
| 42 | C | 97 | Very high | 95.8 | Very high | 41 Ų | 41 | 68.2 Ų | 68.2 | 28% | 0.277 | 36% | 0.363 | S | S | . | . | trans | -76.3 | 128.3 | 168.7 | -70.6 | 0 | 0 | 0 | 0 | 112.1 | P40 L351 Y352 C353 | P40-C42 PolarHBondContact O-N 3.33Å; C42-L351 HydrophobicContact CB-CD1 4.1Å; C42-L351 HydrophobicContact CB-CD2 3.92Å; C42-L351 HydrophobicContact CB-CG 4.04Å; C42-Y352 CarbonylContact C-O 3.52Å; C42-Y352 WeakPolarHBondContact CA-O 3.49Å; C42-C353 HydrophobicContact CB-CB 4.13Å; C42-C353 WeakPolarHBondContact CB-SG 3.37Å; C42-C353 WeakPolarHBondContact SG-CB 3.34Å; C42-C353 CovalentContact SG-SG 2.04Å; C42-C353 PolarHBondContact SG-SG 2.99Å | ||
| 43 | N | 97.3 | Very high | 95.9 | Very high | 106 Ų | 106 | 65.9 Ų | 65.9 | 57% | 0.567 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 137.2 | 176.5 | -64.5 | -79 | 0 | 0 | 0 | 110.5 | N41 Y352 | N41-N43 PolarHBondContact O-ND2 2.84Å; N43-Y352 PolarHBondContact N-O 3.39Å; N43-Y352 PolarHBondContact O-N 3.3Å |
| 44 | L | 98.2 | Very high | 96.1 | Very high | 69 Ų | 69 | 60.7 Ų | 60.7 | 36% | 0.361 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 134.3 | 170.6 | -70.4 | 170.8 | 0 | 0 | 0 | 109.7 | K46 V327 L328 K349 A350 L351 | L44-K46 PolarHBondContact O-N 2.82Å; L44-V327 HydrophobicContact CD2-CG1 4.17Å; L44-V327 HydrophobicContact CG-CG1 4.37Å; L44-L328 HydrophobicContact CD2-CD1 4.36Å; L44-K349 HydrophobicContact CD1-CD 3.75Å; L44-K349 HydrophobicContact CD2-CB 3.94Å; L44-K349 HydrophobicContact CD2-CD 3.87Å; L44-K349 HydrophobicContact CG-CD 4.33Å; L44-A350 WeakPolarHBondContact CA-O 3.39Å; L44-L351 HydrophobicContact CD2-CD1 3.79Å; L44-L351 HydrophobicContact CG-CD1 4.18Å |
| 45 | V | 98.3 | Very high | 96.2 | Very high | 9 Ų | 9 | 60.1 Ų | 60.1 | 6% | 0.055 | 33% | 0.327 | C | S | . | . | trans | -73.5 | 112.8 | 177.9 | -176.6 | 0 | 0 | 0 | 0 | 109.2 | G47 I48 M88 V97 L342 A350 | V45-G47 PolarHBondContact O-N 2.84Å; V45-I48 HydrophobicContact CB-CD1 4.24Å; V45-I48 HydrophobicContact CG1-CD1 3.95Å; V45-I48 HydrophobicContact CG1-CG1 4.31Å; V45-I48 PolarHBondContact O-N 2.85Å; V45-M88 HydrophobicContact CG1-SD 4.13Å; V45-V97 HydrophobicContact CG1-CG1 3.47Å; V45-V97 VanDerWaalsContact CG1-CG1 3.47Å; V45-L342 HydrophobicContact CG2-CD1 4.03Å; V45-A350 HydrophobicContact CB-CB 4.11Å; V45-A350 HydrophobicContact CG2-CB 3.96Å; V45-A350 PolarHBondContact N-O 2.89Å | ||
| 46 | K | 96.8 | Very high | 96.5 | Very high | 161 Ų | 161 | 55.4 Ų | 55.4 | 70% | 0.7 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | 128.2 | -178.9 | -65.5 | 171.9 | -171 | 148.6 | 0 | 110 | L44 D94 V97 | L44-K46 PolarHBondContact O-N 2.82Å; K46-D94 IonicContact NZ-OD2 2.82Å; K46-V97 VanDerWaalsContact O-CG2 3.3Å; K46-V97 WeakPolarHBondContact O-CG2 3.39Å |
| 47 | G | 95 | Very high | 96.7 | Very high | 62 Ų | 62 | 52.8 Ų | 52.8 | 64% | 0.639 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 102.4 | -8.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | V45 | V45-G47 PolarHBondContact O-N 2.84Š|
| 48 | I | 97.9 | Very high | 96.7 | Very high | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | trans | -103.8 | 108.7 | 171.9 | -58.8 | -179.5 | 0 | 0 | 0 | 109 | V45 I65 L86 V97 K349 A350 | V45-I48 HydrophobicContact CB-CD1 4.24Å; V45-I48 HydrophobicContact CG1-CD1 3.95Å; V45-I48 HydrophobicContact CG1-CG1 4.31Å; V45-I48 PolarHBondContact O-N 2.85Å; I48-I65 HydrophobicContact CD1-CD1 3.88Å; I48-I65 HydrophobicContact CD1-CG2 4.4Å; I48-L86 HydrophobicContact CD1-CD1 3.98Å; I48-L86 HydrophobicContact CG1-CD1 3.67Å; I48-V97 HydrophobicContact CD1-CG1 3.88Å; I48-V97 HydrophobicContact CG1-CG1 4.19Å; I48-V97 HydrophobicContact CG1-CG2 4.3Å; I48-K349 WeakPolarHBondContact O-CA 3.47Å; I48-K349 WeakPolarHBondContact O-CG 3.43Å; I48-A350 HydrophobicContact CB-CB 4.33Å; I48-A350 HydrophobicContact CD1-CB 3.68Å; I48-A350 HydrophobicContact CG2-CB 4.11Å | ||
| 49 | E | 97.1 | Very high | 97 | Very high | 93 Ų | 93 | 47.7 Ų | 47.7 | 44% | 0.435 | 27% | 0.271 | S | S | . | . | trans | -132 | -5.4 | -177.2 | -62.5 | -69.1 | 158.8 | 0 | 0 | 113.5 | H348 K349 | E49-H348 CarbonylContact C-O 3.58Å; E49-H348 VanDerWaalsContact C-O 3.29Å; E49-K349 VanDerWaalsContact CD-NZ 3.26Å; E49-K349 IonicContact OE1-NZ 3.95Å; E49-K349 PolarHBondContact OE1-NZ 2.9Å; E49-K349 WeakPolarHBondContact OE2-CE 3.44Å; E49-K349 IonicContact OE2-NZ 3.39Å; E49-K349 PolarHBondContact OE2-NZ 2.86Å | ||
| 50 | T | 95.6 | Very high | 97.2 | Very high | 37 Ų | 37 | 49.6 Ų | 49.6 | 23% | 0.227 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -135.6 | 30.8 | -166.8 | 61.8 | 0 | 0 | 0 | 0 | 113.4 | G68 N78 F347 H348 | T50-G68 VanDerWaalsContact O-CA 3.27Å; T50-G68 WeakPolarHBondContact O-CA 3.48Å; T50-G68 PolarHBondContact O-N 2.95Å; T50-N78 HydrophobicContact CG2-CB 3.52Å; T50-F347 CarbonylContact C-O 3.52Å; T50-H348 PolarHBondContact N-O 3.48Å |
| 51 | G | 97.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | trans | 106.4 | 145.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | S67 F347 H348 | G51-S67 WeakPolarHBondContact O-CA 3.47Å; G51-S67 VanDerWaalsContact O-CB 3.26Å; G51-S67 WeakPolarHBondContact O-CB 3.36Å; G51-S67 PolarHBondContact O-OG 2.93Å; G51-F347 VanDerWaalsContact CA-C 3.47Å; G51-F347 VanDerWaalsContact CA-CA 3.49Å; G51-F347 PolarHBondContact N-O 2.99Å; G51-H348 WeakPolarHBondContact CA-O 3.43Å; G51-H348 PolarHBondContact N-O 3.42Å | ||
| 52 | S | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | trans | -147.7 | 55.3 | 173 | 39.1 | 0 | 0 | 0 | 0 | 106.5 | D54 S66 G344 T345 K349 | S52-D54 VanDerWaalsContact C-N 3.28Å; S52-D54 PolarHBondContact O-N 2.87Å; S52-S66 CarbonylContact C-O 3.5Å; S52-S66 WeakPolarHBondContact CA-O 3.42Å; S52-G344 CarbonylContact O-C 3.57Å; S52-G344 WeakPolarHBondContact O-CA 3.41Å; S52-G344 WeakPolarHBondContact OG-CA 3.47Å; S52-T345 CarbonylContact C-O 3.42Å; S52-T345 PolarHBondContact N-O 3.47Å; S52-T345 PolarHBondContact O-N 3Å; S52-T345 PolarHBondContact OG-N 2.9Å; S52-T345 VanDerWaalsContact OG-N 3.14Å; S52-K349 PolarHBondContact OG-O 2.81Å; S52-K349 VanDerWaalsContact OG-O 3.09Å | ||
| 53 | E | 98.6 | Very high | 97.9 | Very high | 4 Ų | 4 | 39.2 Ų | 39.2 | 2% | 0.019 | 22% | 0.219 | C | C | . | . | trans | -66.8 | -33.6 | -158.5 | -174.5 | -81.2 | 155.1 | 0 | 0 | 111.8 | S66 L69 H115 N270 T332 V333 T345 V346 | E53-S66 PolarHBondContact N-O 3.47Å; E53-S66 VanDerWaalsContact N-O 3.11Å; E53-L69 HydrophobicContact CB-CD2 4.27Å; E53-L69 HydrophobicContact CG-CD2 3.91Å; E53-H115 IonicContact OE1-CD2 2.68Å; E53-H115 IonicContact OE1-NE2 3.74Å; E53-H115 IonicContact OE2-CD2 3.55Å; E53-H115 PolarHBondContact OE2-CD2 3.35Å; E53-H115 IonicContact OE2-CG 3.78Å; E53-H115 IonicContact OE2-NE2 3.68Å; E53-N270 PolarHBondContact O-ND2 2.95Å; E53-N270 PolarHBondContact OE1-ND2 3.4Å; E53-T332 WeakPolarHBondContact CA-OG1 3.5Å; E53-T332 HydrophobicContact CG-CG2 3.89Å; E53-T332 WeakPolarHBondContact O-CB 3.46Å; E53-T332 PolarHBondContact O-OG1 3.39Å; E53-V333 WeakPolarHBondContact O-CG1 3.32Å; E53-T345 VanDerWaalsContact CA-O 3.31Å; E53-T345 WeakPolarHBondContact CA-O 3.25Å; E53-T345 PolarHBondContact N-O 2.83Å; E53-T345 VanDerWaalsContact N-O 3.15Å; E53-V346 HydrophobicContact CG-CG1 4.26Å | ||
| 54 | D | 98.9 | Very high | 98 | Very high | 8 Ų | 8 | 34.2 Ų | 34.2 | 4% | 0.043 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 154.2 | 173.4 | -165.1 | 26.5 | 0 | 0 | 0 | 112.2 | S52 S66 G116 I117 V333 | S52-D54 VanDerWaalsContact C-N 3.28Å; S52-D54 PolarHBondContact O-N 2.87Å; D54-S66 PolarHBondContact O-N 2.71Å; D54-G116 WeakPolarHBondContact OD2-CA 3.25Å; D54-I117 HydrophobicContact CB-CG1 4.37Å; D54-I117 WeakPolarHBondContact OD2-CG1 3.49Å; D54-I117 PolarHBondContact OD2-N 2.99Å; D54-V333 WeakPolarHBondContact OD1-CG2 3.27Å |
| 55 | L | 98.9 | Very high | 98.1 | Very high | 3 Ų | 3 | 31 Ų | 31 | 2% | 0.016 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 149.1 | -179.4 | 65.2 | 89.2 | 0 | 0 | 0 | 112.1 | I57 F64 I65 V333 L342 | L55-I57 HydrophobicContact CD1-CG1 4.32Å; L55-F64 CarbonylContact C-O 3.51Å; L55-F64 WeakPolarHBondContact CA-O 3.39Å; L55-F64 VanDerWaalsContact CB-O 3.28Å; L55-F64 WeakPolarHBondContact CB-O 3.31Å; L55-I65 HydrophobicContact CB-CB 4.47Å; L55-I65 HydrophobicContact CB-CG1 4.07Å; L55-V333 HydrophobicContact CB-CG1 4.39Å; L55-V333 HydrophobicContact CD1-CG2 4.34Å; L55-V333 HydrophobicContact CD2-CG1 3.57Å; L55-V333 HydrophobicContact CG-CB 4.36Å; L55-V333 HydrophobicContact CG-CG1 3.6Å; L55-V333 HydrophobicContact CG-CG2 3.84Å; L55-L342 HydrophobicContact CD1-CD2 4.22Å; L55-L342 HydrophobicContact CD2-CD2 3.81Å; L55-L342 HydrophobicContact CD2-CG 3.75Å |
| 56 | E | 98.9 | Very high | 98.1 | Very high | 47 Ų | 47 | 30.6 Ų | 30.6 | 22% | 0.22 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 134.9 | 174.2 | -165.6 | 173.1 | 145 | 0 | 0 | 110.8 | A63 F64 I117 S118 T119 | E56-A63 CarbonylContact O-C 3.51Å; E56-A63 WeakPolarHBondContact O-CA 3.27Å; E56-F64 PolarHBondContact N-O 2.93Å; E56-F64 PolarHBondContact O-N 2.97Å; E56-I117 HydrophobicContact CB-CD1 4.48Å; E56-S118 WeakPolarHBondContact OE2-CA 3.2Å; E56-T119 HydrophobicContact CB-CG2 4.2Å; E56-T119 VanDerWaalsContact CD-N 3.35Å; E56-T119 HydrophobicContact CG-CG2 4.17Å; E56-T119 WeakPolarHBondContact OE1-CB 3.43Å; E56-T119 PolarHBondContact OE1-N 2.99Å; E56-T119 PolarHBondContact OE1-OG1 2.77Å; E56-T119 PolarHBondContact OE2-N 3.12Å |
| 57 | I | 98.9 | Very high | 98.2 | Very high | 26 Ų | 26 | 23.2 Ų | 23.2 | 13% | 0.133 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 119.5 | -178.1 | -52.4 | 172.4 | 0 | 0 | 0 | 108.6 | L55 A63 L90 Y337 | L55-I57 HydrophobicContact CD1-CG1 4.32Å; I57-A63 HydrophobicContact CG1-CB 4Å; I57-L90 HydrophobicContact CD1-CD1 3.53Å; I57-L90 HydrophobicContact CG1-CD1 3.94Å; I57-L90 HydrophobicContact CG2-CD1 3.81Å; I57-Y337 HydrophobicContact CG2-CD2 4.11Å; I57-Y337 HydrophobicContact CG2-CG 4.25Å |
| 58 | L | 98.6 | Very high | 98.3 | Very high | 6 Ų | 6 | 20.8 Ų | 20.8 | 3% | 0.031 | 12% | 0.117 | C | C | . | . | trans | -68.3 | 157.6 | 172 | -65.8 | -175 | 0 | 0 | 0 | 111.3 | N60 G61 L62 F64 T119 V127 | L58-N60 VanDerWaalsContact CB-OD1 3.25Å; L58-N60 WeakPolarHBondContact CB-OD1 3.5Å; L58-N60 PolarHBondContact O-N 2.85Å; L58-G61 PolarHBondContact O-N 2.85Å; L58-L62 HydrophobicContact CB-CB 4.47Å; L58-L62 HydrophobicContact CD1-CB 4.22Å; L58-L62 PolarHBondContact N-O 2.88Å; L58-F64 HydrophobicContact CD1-CE2 3.77Å; L58-F64 HydrophobicContact CD1-CZ 4.3Å; L58-F64 HydrophobicContact CD2-CE2 4.16Å; L58-F64 HydrophobicContact CG-CD2 4.42Å; L58-F64 HydrophobicContact CG-CE2 3.85Å; L58-T119 HydrophobicContact CD2-CG2 3.92Å; L58-T119 WeakPolarHBondContact CD2-OG1 3.24Å; L58-V127 HydrophobicContact CD1-CG1 4.05Å; L58-V127 HydrophobicContact CD1-CG2 4.16Å; L58-V127 HydrophobicContact CD2-CG1 4.09Å | ||
| 59 | P | 97.8 | Very high | 98.3 | Very high | 112 Ų | 112 | 21.1 Ų | 21.1 | 73% | 0.727 | 12% | 0.118 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -23.8 | 177.8 | -27.2 | 35.4 | 0 | 0 | 0 | 115 | G61 | P59-G61 VanDerWaalsContact C-N 3.32Š|
| 60 | N | 97.6 | Very high | 98.2 | Very high | 68 Ų | 68 | 19.7 Ų | 19.7 | 36% | 0.364 | 11% | 0.112 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -3.5 | 177.1 | 68.6 | -4.9 | 0 | 0 | 0 | 113.8 | L58 L62 N91 Y337 | L58-N60 VanDerWaalsContact CB-OD1 3.25Å; L58-N60 WeakPolarHBondContact CB-OD1 3.5Å; L58-N60 PolarHBondContact O-N 2.85Å; N60-L62 WeakPolarHBondContact OD1-CB 3.31Å; N60-L62 PolarHBondContact OD1-N 2.81Å; N60-L62 VanDerWaalsContact OD1-N 3.13Å; N60-N91 PolarHBondContact O-ND2 2.82Å; N60-Y337 PolarHBondContact O-OH 2.83Å |
| 61 | G | 98.4 | Very high | 98.2 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 11% | 0.106 | C | C | . | . | S | Bend | trans | 91.8 | 3.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | L58 P59 L90 Y337 | L58-G61 PolarHBondContact O-N 2.85Å; P59-G61 VanDerWaalsContact C-N 3.32Å; G61-L90 VanDerWaalsContact O-CB 3.3Å; G61-L90 WeakPolarHBondContact O-CB 3.3Å; G61-L90 VanDerWaalsContact O-CG 3.31Å; G61-L90 WeakPolarHBondContact O-CG 3.34Å; G61-L90 PolarHBondContact O-N 3.29Å; G61-Y337 WeakPolarHBondContact CA-OH 3.31Å; G61-Y337 PolarHBondContact N-OH 3.49Å |
| 62 | L | 98.8 | Very high | 97.9 | Very high | 12 Ų | 12 | 22.3 Ų | 22.3 | 6% | 0.063 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 124.1 | 169 | -67.6 | -177.8 | 0 | 0 | 0 | 109.8 | L58 N60 L87 D89 F146 E148 | L58-L62 HydrophobicContact CB-CB 4.47Å; L58-L62 HydrophobicContact CD1-CB 4.22Å; L58-L62 PolarHBondContact N-O 2.88Å; N60-L62 WeakPolarHBondContact OD1-CB 3.31Å; N60-L62 PolarHBondContact OD1-N 2.81Å; N60-L62 VanDerWaalsContact OD1-N 3.13Å; L62-L87 HydrophobicContact CB-CD1 4.11Å; L62-L87 HydrophobicContact CD2-CD1 4.45Å; L62-L87 HydrophobicContact CD2-CD2 4.5Å; L62-D89 HydrophobicContact CD2-CB 3.94Å; L62-F146 HydrophobicContact CD1-CE1 3.87Å; L62-F146 HydrophobicContact CD1-CZ 4.14Å; L62-E148 HydrophobicContact CD1-CG 4.14Å |
| 63 | A | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 121.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | E56 I57 L87 M88 L90 L342 | E56-A63 CarbonylContact O-C 3.51Å; E56-A63 WeakPolarHBondContact O-CA 3.27Å; I57-A63 HydrophobicContact CG1-CB 4Å; A63-L87 WeakPolarHBondContact O-CA 3.19Å; A63-M88 HydrophobicContact CB-CB 4.4Å; A63-M88 PolarHBondContact N-O 2.81Å; A63-M88 PolarHBondContact O-N 2.69Å; A63-L90 HydrophobicContact CB-CD1 4.14Å; A63-L90 HydrophobicContact CB-CD2 4.42Å; A63-L90 HydrophobicContact CB-CG 4.16Å; A63-L342 HydrophobicContact CB-CD2 4.21Å |
| 64 | F | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 139.8 | 166.5 | -62.1 | -74.2 | 0 | 0 | 0 | 109.5 | L55 E56 L58 I85 L86 L87 L100 I117 T119 V127 L129 F146 | L55-F64 CarbonylContact C-O 3.51Å; L55-F64 WeakPolarHBondContact CA-O 3.39Å; L55-F64 VanDerWaalsContact CB-O 3.28Å; L55-F64 WeakPolarHBondContact CB-O 3.31Å; E56-F64 PolarHBondContact N-O 2.93Å; E56-F64 PolarHBondContact O-N 2.97Å; L58-F64 HydrophobicContact CD1-CE2 3.77Å; L58-F64 HydrophobicContact CD1-CZ 4.3Å; L58-F64 HydrophobicContact CD2-CE2 4.16Å; L58-F64 HydrophobicContact CG-CD2 4.42Å; L58-F64 HydrophobicContact CG-CE2 3.85Å; F64-I85 HydrophobicContact CB-CG2 4.42Å; F64-I85 HydrophobicContact CD1-CG2 4.18Å; F64-L86 CarbonylContact C-O 3.33Å; F64-L86 WeakPolarHBondContact CA-O 3.24Å; F64-L87 HydrophobicContact CD1-CD1 3.94Å; F64-L87 HydrophobicContact CE1-CD1 3.8Å; F64-L87 HydrophobicContact CZ-CD1 4.37Å; F64-L100 HydrophobicContact CD1-CD1 3.76Å; F64-L100 HydrophobicContact CE1-CD1 3.7Å; F64-I117 HydrophobicContact CB-CD1 3.85Å; F64-T119 HydrophobicContact CD2-CG2 3.73Å; F64-T119 HydrophobicContact CE2-CG2 3.98Å; F64-V127 HydrophobicContact CE2-CG1 4.25Å; F64-V127 HydrophobicContact CZ-CG1 4.44Å; F64-L129 HydrophobicContact CB-CD1 4.31Å; F64-L129 HydrophobicContact CD1-CD2 4.15Å; F64-L129 HydrophobicContact CD2-CD1 4.24Å; F64-L129 HydrophobicContact CG-CD1 4.2Å; F64-L129 HydrophobicContact CG-CD2 4.36Å; F64-F146 HydrophobicContact CE1-CD1 4.45Å; F64-F146 AromaticContact CE1-CD2 3.73Å; F64-F146 HydrophobicContact CE1-CD2 3.73Å; F64-F146 AromaticContact CE1-CE2 3.91Å; F64-F146 HydrophobicContact CE1-CE2 3.91Å; F64-F146 HydrophobicContact CE1-CG 4.02Å; F64-F146 HydrophobicContact CE1-CZ 4.33Å; F64-F146 HydrophobicContact CZ-CB 4.11Å; F64-F146 AromaticContact CZ-CD1 3.77Å; F64-F146 HydrophobicContact CZ-CD1 3.77Å; F64-F146 AromaticContact CZ-CD2 3.85Å; F64-F146 HydrophobicContact CZ-CD2 3.85Å; F64-F146 HydrophobicContact CZ-CE1 4.08Å; F64-F146 HydrophobicContact CZ-CE2 4.17Å; F64-F146 AromaticContact CZ-CG 3.64Å; F64-F146 HydrophobicContact CZ-CG 3.64Å; F64-F146 HydrophobicContact CZ-CZ 4.27Å |
| 65 | I | 98.9 | Very high | 97.2 | Very high | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 122.3 | -179.8 | -52.5 | 168.5 | 0 | 0 | 0 | 108.7 | I48 L55 I85 L86 M88 V97 L342 | I48-I65 HydrophobicContact CD1-CD1 3.88Å; I48-I65 HydrophobicContact CD1-CG2 4.4Å; L55-I65 HydrophobicContact CB-CB 4.47Å; L55-I65 HydrophobicContact CB-CG1 4.07Å; I65-I85 WeakPolarHBondContact O-CA 3.34Å; I65-L86 HydrophobicContact CB-CB 4.21Å; I65-L86 PolarHBondContact N-O 2.86Å; I65-L86 PolarHBondContact O-N 2.93Å; I65-M88 HydrophobicContact CD1-CB 4.43Å; I65-V97 HydrophobicContact CD1-CG1 4.4Å; I65-L342 HydrophobicContact CD1-CD2 4.22Å |
| 66 | S | 98.9 | Very high | 97 | Very high | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.007 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 124.3 | 171.4 | -178.7 | 0 | 0 | 0 | 0 | 110.4 | S52 E53 D54 P114 H115 | S52-S66 CarbonylContact C-O 3.5Å; S52-S66 WeakPolarHBondContact CA-O 3.42Å; E53-S66 PolarHBondContact N-O 3.47Å; E53-S66 VanDerWaalsContact N-O 3.11Å; D54-S66 PolarHBondContact O-N 2.71Å; S66-P114 WeakPolarHBondContact OG-CB 3.36Å; S66-P114 PolarHBondContact OG-O 2.86Å; S66-H115 WeakPolarHBondContact CB-O 3.35Å; S66-H115 PolarHBondContact OG-N 3.42Å; S66-H115 PolarHBondContact OG-O 2.86Å |
| 67 | S | 98.6 | Very high | 96.8 | Very high | 7 Ų | 7 | 33 Ų | 33 | 5% | 0.049 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 148.8 | -171 | -174.8 | 0 | 0 | 0 | 0 | 112.7 | G51 G83 K84 | G51-S67 WeakPolarHBondContact O-CA 3.47Å; G51-S67 VanDerWaalsContact O-CB 3.26Å; G51-S67 WeakPolarHBondContact O-CB 3.36Å; G51-S67 PolarHBondContact O-OG 2.93Å; S67-G83 CarbonylContact O-C 3.37Å; S67-G83 WeakPolarHBondContact O-CA 3.43Å; S67-K84 PolarHBondContact N-O 2.95Å; S67-K84 PolarHBondContact O-N 2.86Å |
| 68 | G | 97.9 | Very high | 96.5 | Very high | 11 Ų | 11 | 34.5 Ų | 34.5 | 11% | 0.113 | 20% | 0.204 | C | C | . | . | trans | 82.3 | 23.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | T50 Q70 | T50-G68 VanDerWaalsContact O-CA 3.27Å; T50-G68 WeakPolarHBondContact O-CA 3.48Å; T50-G68 PolarHBondContact O-N 2.95Å; G68-Q70 PolarHBondContact O-N 3.4Å | ||
| 69 | L | 97.6 | Very high | 96.1 | Very high | 7 Ų | 7 | 37.5 Ų | 37.5 | 4% | 0.037 | 22% | 0.223 | C | C | . | . | trans | -53.7 | 136.5 | 175.9 | 177.4 | 71.3 | 0 | 0 | 0 | 111.5 | E53 P114 H115 V346 | E53-L69 HydrophobicContact CB-CD2 4.27Å; E53-L69 HydrophobicContact CG-CD2 3.91Å; L69-P114 VanDerWaalsContact CD1-O 3.3Å; L69-P114 WeakPolarHBondContact CD1-O 3.41Å; L69-H115 HydrophobicContact CD1-CB 3.79Å; L69-H115 WeakPolarHBondContact CD2-CD2 3.33Å; L69-H115 WeakPolarHBondContact CD2-NE2 3.42Å; L69-V346 HydrophobicContact CD2-CG1 4.34Å | ||
| 70 | Q | 95.9 | Very high | 95.8 | Very high | 63 Ų | 63 | 39.3 Ų | 39.3 | 29% | 0.294 | 23% | 0.227 | S | C | . | . | trans | -123.2 | 93.8 | 169.7 | -55.3 | -178.7 | 31 | 0 | 0 | 109.1 | G68 P79 N81 N113 | G68-Q70 PolarHBondContact O-N 3.4Å; Q70-P79 PolarHBondContact NE2-O 3.22Å; Q70-P79 PolarHBondContact OE1-O 3.2Å; Q70-N81 PolarHBondContact NE2-O 3.03Å; Q70-N113 PolarHBondContact N-OD1 2.82Å; Q70-N113 PolarHBondContact O-ND2 2.99Å | ||
| 71 | Y | 94.3 | Very high | 95.6 | Very high | 27 Ų | 27 | 39.9 Ų | 39.9 | 11% | 0.106 | 23% | 0.23 | C | C | . | . | trans | -105 | 134.9 | 179.8 | -164.1 | -89.6 | 0 | 0 | 0 | 111.4 | G73 I74 D183 R192 | Y71-G73 PolarHBondContact O-N 3Å; Y71-I74 HydrophobicContact CD1-CG1 3.96Å; Y71-I74 WeakPolarHBondContact O-CB 3.49Å; Y71-I74 PolarHBondContact O-N 2.91Å; Y71-D183 PolarHBondContact OH-OD1 3.04Å; Y71-D183 PolarHBondContact OH-OD2 2.61Å; Y71-R192 PolarHBondContact OH-NH1 3.19Å | ||
| 72 | P | 91.5 | Very high | 95.5 | Very high | 65 Ų | 65 | 42.4 Ų | 42.4 | 42% | 0.422 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | 126 | -179.1 | -27.7 | 36 | 0 | 0 | 0 | 113.1 | I74 P189 | P72-I74 VanDerWaalsContact C-N 3.31Å; P72-P189 HydrophobicContact CB-CB 4.49Å |
| 73 | G | 89 | Confident | 95.5 | Very high | 69 Ų | 69 | 42 Ų | 42 | 71% | 0.711 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 86.7 | -5.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y71 | Y71-G73 PolarHBondContact O-N 3Š|
| 74 | I | 95 | Very high | 95.4 | Very high | 35 Ų | 35 | 45.9 Ų | 45.9 | 18% | 0.179 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -100.5 | 146.7 | 177.1 | -60.2 | -59.8 | 0 | 0 | 0 | 110.2 | Y71 P72 S76 F292 V346 F347 | Y71-I74 HydrophobicContact CD1-CG1 3.96Å; Y71-I74 WeakPolarHBondContact O-CB 3.49Å; Y71-I74 PolarHBondContact O-N 2.91Å; P72-I74 VanDerWaalsContact C-N 3.31Å; I74-S76 PolarHBondContact O-N 3.08Å; I74-F292 HydrophobicContact CD1-CD1 3.77Å; I74-F292 HydrophobicContact CD1-CE1 4.07Å; I74-V346 HydrophobicContact CG2-CG1 3.57Å; I74-F347 HydrophobicContact CG2-CD1 3.74Å; I74-F347 HydrophobicContact CG2-CE1 4.34Å |
| 75 | K | 96.9 | Very high | 95.4 | Very high | 76 Ų | 76 | 45.9 Ų | 45.9 | 33% | 0.33 | 26% | 0.262 | S | S | . | . | trans | -61.9 | 137 | 176 | 176.8 | 60.8 | 178 | 172.4 | 0 | 110.2 | F77 Y294 F347 | K75-F77 VanDerWaalsContact CE-CD1 3.49Å; K75-F77 HydrophobicContact CG-CE1 4.47Å; K75-F77 HydrophobicContact CG-CE2 4.44Å; K75-F77 HydrophobicContact CG-CZ 4.27Å; K75-Y294 HydrophobicContact CB-CD1 4.38Å; K75-Y294 HydrophobicContact CB-CD2 4.41Å; K75-Y294 HydrophobicContact CB-CG 3.95Å; K75-Y294 HydrophobicContact CD-CD1 3.87Å; K75-Y294 HydrophobicContact CD-CE1 4.31Å; K75-Y294 HydrophobicContact CD-CG 4.31Å; K75-Y294 HydrophobicContact CG-CD1 3.88Å; K75-Y294 HydrophobicContact CG-CD2 4.3Å; K75-Y294 HydrophobicContact CG-CE1 4.3Å; K75-Y294 HydrophobicContact CG-CG 3.88Å; K75-F347 HydrophobicContact CB-CD1 3.94Å; K75-F347 HydrophobicContact CB-CD2 4.23Å; K75-F347 HydrophobicContact CB-CE1 3.91Å; K75-F347 HydrophobicContact CB-CE2 4.21Å; K75-F347 HydrophobicContact CB-CG 4.11Å; K75-F347 HydrophobicContact CB-CZ 4.06Å; K75-F347 HydrophobicContact CG-CD2 4.09Å; K75-F347 HydrophobicContact CG-CE2 4.14Å; K75-F347 HydrophobicContact CG-CG 4.37Å; K75-F347 HydrophobicContact CG-CZ 4.45Å; K75-F347 WeakPolarHBondContact O-CB 3.3Å; K75-F347 WeakPolarHBondContact O-CD1 3.27Å; K75-F347 VanDerWaalsContact O-CG 3.29Å; K75-F347 WeakPolarHBondContact O-CG 3.19Å | ||
| 76 | S | 96 | Very high | 95.4 | Very high | 23 Ų | 23 | 46.4 Ų | 46.4 | 16% | 0.161 | 27% | 0.265 | C | S | . | . | trans | -127.9 | 134.1 | 162.2 | 178.9 | 0 | 0 | 0 | 0 | 109.5 | I74 N78 | I74-S76 PolarHBondContact O-N 3.08Å; S76-N78 VanDerWaalsContact C-N 3.32Å; S76-N78 PolarHBondContact OG-N 2.83Å | ||
| 77 | F | 94.1 | Very high | 95.4 | Very high | 85 Ų | 85 | 46.8 Ų | 46.8 | 37% | 0.373 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -85.3 | -9.8 | 171.2 | -67.5 | -66.2 | 0 | 0 | 0 | 112.6 | K75 Y294 F347 | K75-F77 VanDerWaalsContact CE-CD1 3.49Å; K75-F77 HydrophobicContact CG-CE1 4.47Å; K75-F77 HydrophobicContact CG-CE2 4.44Å; K75-F77 HydrophobicContact CG-CZ 4.27Å; F77-Y294 HydrophobicContact CE1-CE1 4.43Å; F77-Y294 HydrophobicContact CZ-CE1 4.24Å; F77-Y294 HydrophobicContact CZ-CE2 4.31Å; F77-Y294 AromaticContact CZ-CZ 3.76Å; F77-Y294 WeakPolarHBondContact CZ-OH 3.38Å; F77-F347 HydrophobicContact CD2-CD2 4.12Å; F77-F347 WeakPolarHBondContact CD2-O 3.32Å; F77-F347 AromaticContact CE2-CD2 3.62Å; F77-F347 HydrophobicContact CE2-CD2 3.62Å; F77-F347 AromaticContact CE2-CE2 3.96Å; F77-F347 HydrophobicContact CE2-CE2 3.96Å; F77-F347 HydrophobicContact CZ-CD2 4.5Å; F77-F347 HydrophobicContact CZ-CE2 4.49Å |
| 78 | N | 92.5 | Very high | 95.4 | Very high | 57 Ų | 57 | 46.6 Ų | 46.6 | 31% | 0.305 | 27% | 0.265 | S | S | . | . | trans | -141.8 | 60.7 | -177.2 | -165 | 16.2 | 0 | 0 | 0 | 113.3 | T50 S76 N80 N81 | T50-N78 HydrophobicContact CG2-CB 3.52Å; S76-N78 VanDerWaalsContact C-N 3.32Å; S76-N78 PolarHBondContact OG-N 2.83Å; N78-N80 PolarHBondContact O-N 3.12Å; N78-N81 VanDerWaalsContact CG-ND2 3.32Å; N78-N81 PolarHBondContact ND2-ND2 2.85Å; N78-N81 VanDerWaalsContact ND2-ND2 3.16Å; N78-N81 PolarHBondContact O-N 2.91Å; N78-N81 PolarHBondContact OD1-ND2 2.89Å | ||
| 79 | P | 91.3 | Very high | 95.4 | Very high | 68 Ų | 68 | 48.5 Ų | 48.5 | 44% | 0.442 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -2.3 | -168.2 | 31.2 | -38.6 | 0 | 0 | 0 | 115.3 | Q70 | Q70-P79 PolarHBondContact NE2-O 3.22Å; Q70-P79 PolarHBondContact OE1-O 3.2Å |
| 80 | N | 91.1 | Very high | 95.5 | Very high | 150 Ų | 150 | 48.6 Ų | 48.6 | 80% | 0.802 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.2 | -0.7 | -175.2 | -63.1 | -42.4 | 0 | 0 | 0 | 113.5 | N78 | N78-N80 PolarHBondContact O-N 3.12Š|
| 81 | N | 93.9 | Very high | 95.6 | Very high | 81 Ų | 81 | 49.3 Ų | 49.3 | 43% | 0.433 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -113.2 | 140 | -178.1 | -74.9 | -63.2 | 0 | 0 | 0 | 110.3 | Q70 N78 | Q70-N81 PolarHBondContact NE2-O 3.03Å; N78-N81 VanDerWaalsContact CG-ND2 3.32Å; N78-N81 PolarHBondContact ND2-ND2 2.85Å; N78-N81 VanDerWaalsContact ND2-ND2 3.16Å; N78-N81 PolarHBondContact O-N 2.91Å; N78-N81 PolarHBondContact OD1-ND2 2.89Å |
| 82 | P | 95.9 | Very high | 95.7 | Very high | 53 Ų | 53 | 52 Ų | 52 | 34% | 0.344 | 29% | 0.293 | S | S | . | . | trans | -61.9 | 153.1 | 173.3 | 28.7 | -34.4 | 0 | 0 | 0 | 110 | F112 | P82-F112 WeakPolarHBondContact CA-O 3.45Š| ||
| 83 | G | 97.4 | Very high | 95.7 | Very high | 3 Ų | 3 | 58.7 Ų | 58.7 | 3% | 0.031 | 32% | 0.318 | C | S | . | . | trans | -75.1 | 178 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | S67 F112 | S67-G83 CarbonylContact O-C 3.37Å; S67-G83 WeakPolarHBondContact O-CA 3.43Å; G83-F112 PolarHBondContact N-O 2.9Å; G83-F112 VanDerWaalsContact O-CD1 3.31Å; G83-F112 WeakPolarHBondContact O-CD1 3.37Å | ||
| 84 | K | 97.9 | Very high | 95.8 | Very high | 81 Ų | 81 | 60.8 Ų | 60.8 | 35% | 0.352 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 154 | -166.7 | -60.1 | 174.8 | 175.5 | -162.7 | 0 | 110.1 | S67 L86 E99 | S67-K84 PolarHBondContact N-O 2.95Å; S67-K84 PolarHBondContact O-N 2.86Å; K84-L86 HydrophobicContact CB-CD2 4.1Å; K84-L86 HydrophobicContact CD-CD2 4.45Å; K84-E99 HydrophobicContact CB-CG 4.38Å; K84-E99 VanDerWaalsContact CD-CD 3.45Å; K84-E99 HydrophobicContact CD-CG 4.06Å; K84-E99 WeakPolarHBondContact CD-OE2 3.12Å; K84-E99 WeakPolarHBondContact CE-OE1 3.32Å; K84-E99 WeakPolarHBondContact CE-OE2 3.19Å; K84-E99 HydrophobicContact CG-CG 4.33Å; K84-E99 IonicContact NZ-OE1 3.47Å; K84-E99 IonicContact NZ-OE2 2.99Å; K84-E99 PolarHBondContact NZ-OE2 3.35Å |
| 85 | I | 98.8 | Very high | 95.8 | Very high | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 124.4 | 159.5 | -54.1 | -56.3 | 0 | 0 | 0 | 107.6 | F64 I65 L100 F112 P114 I117 L129 V131 L153 | F64-I85 HydrophobicContact CB-CG2 4.42Å; F64-I85 HydrophobicContact CD1-CG2 4.18Å; I65-I85 WeakPolarHBondContact O-CA 3.34Å; I85-L100 HydrophobicContact CG2-CD1 3.9Å; I85-L100 PolarHBondContact O-N 2.98Å; I85-F112 HydrophobicContact CD1-CE1 4.43Å; I85-F112 HydrophobicContact CD1-CZ 4.07Å; I85-F112 HydrophobicContact CG1-CE1 4.12Å; I85-F112 HydrophobicContact CG1-CZ 3.97Å; I85-P114 HydrophobicContact CD1-CB 3.97Å; I85-P114 HydrophobicContact CD1-CG 4.36Å; I85-I117 HydrophobicContact CD1-CG2 4.36Å; I85-L129 HydrophobicContact CG1-CD2 4.34Å; I85-L129 HydrophobicContact CG2-CD2 3.87Å; I85-V131 HydrophobicContact CD1-CG1 4.15Å; I85-V131 HydrophobicContact CD1-CG2 4.09Å; I85-V131 HydrophobicContact CG1-CG2 4.44Å; I85-L153 HydrophobicContact CB-CD1 3.82Å; I85-L153 HydrophobicContact CG1-CD1 3.89Å; I85-L153 HydrophobicContact CG2-CD1 4.03Å |
| 86 | L | 98.9 | Very high | 95.8 | Very high | 11 Ų | 11 | 60.4 Ų | 60.4 | 6% | 0.058 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 153.7 | 174.9 | -46 | 175.9 | 0 | 0 | 0 | 109.7 | I48 F64 I65 K84 V97 L98 E99 | I48-L86 HydrophobicContact CD1-CD1 3.98Å; I48-L86 HydrophobicContact CG1-CD1 3.67Å; F64-L86 CarbonylContact C-O 3.33Å; F64-L86 WeakPolarHBondContact CA-O 3.24Å; I65-L86 HydrophobicContact CB-CB 4.21Å; I65-L86 PolarHBondContact N-O 2.86Å; I65-L86 PolarHBondContact O-N 2.93Å; K84-L86 HydrophobicContact CB-CD2 4.1Å; K84-L86 HydrophobicContact CD-CD2 4.45Å; L86-V97 HydrophobicContact CB-CB 4.47Å; L86-V97 HydrophobicContact CD1-CB 4.46Å; L86-L98 CarbonylContact C-O 3.2Å; L86-L98 VanDerWaalsContact CA-O 3.25Å; L86-L98 WeakPolarHBondContact CA-O 3.34Å; L86-E99 HydrophobicContact CD2-CB 4.08Å |
| 87 | L | 98.9 | Very high | 95.9 | Very high | 10 Ų | 10 | 60.8 Ų | 60.8 | 5% | 0.052 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 136.5 | 173.4 | -173.9 | 72 | 0 | 0 | 0 | 109.2 | L62 A63 F64 V97 L98 L100 F146 | L62-L87 HydrophobicContact CB-CD1 4.11Å; L62-L87 HydrophobicContact CD2-CD1 4.45Å; L62-L87 HydrophobicContact CD2-CD2 4.5Å; A63-L87 WeakPolarHBondContact O-CA 3.19Å; F64-L87 HydrophobicContact CD1-CD1 3.94Å; F64-L87 HydrophobicContact CE1-CD1 3.8Å; F64-L87 HydrophobicContact CZ-CD1 4.37Å; L87-V97 WeakPolarHBondContact O-CA 3.22Å; L87-L98 PolarHBondContact N-O 3.18Å; L87-L98 PolarHBondContact O-N 2.96Å; L87-L100 HydrophobicContact CB-CD1 4.17Å; L87-L100 HydrophobicContact CB-CD2 3.81Å; L87-L100 HydrophobicContact CB-CG 3.91Å; L87-L100 HydrophobicContact CD2-CD2 3.99Å; L87-L100 HydrophobicContact CG-CD2 4.43Å; L87-F146 HydrophobicContact CD1-CZ 4.3Å; L87-F146 HydrophobicContact CD2-CE2 4.21Å; L87-F146 HydrophobicContact CD2-CZ 3.95Å |
| 88 | M | 98.7 | Very high | 96.1 | Very high | 2 Ų | 2 | 60.3 Ų | 60.3 | 1% | 0.01 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 134.7 | 175 | -176.4 | 173.1 | 148.5 | 0 | 0 | 109.2 | V45 A63 I65 L90 P95 V97 L342 Y352 | V45-M88 HydrophobicContact CG1-SD 4.13Å; A63-M88 HydrophobicContact CB-CB 4.4Å; A63-M88 PolarHBondContact N-O 2.81Å; A63-M88 PolarHBondContact O-N 2.69Å; I65-M88 HydrophobicContact CD1-CB 4.43Å; M88-L90 HydrophobicContact CE-CD2 3.24Å; M88-L90 HydrophobicContact CG-CD2 3.93Å; M88-L90 HydrophobicContact SD-CD2 4.03Å; M88-P95 HydrophobicContact CE-CB 3.59Å; M88-P95 HydrophobicContact CE-CG 3.29Å; M88-P95 HydrophobicContact CG-CB 3.85Å; M88-P95 HydrophobicContact SD-CB 4.38Å; M88-V97 HydrophobicContact CB-CG1 4.25Å; M88-V97 HydrophobicContact CG-CG1 4.46Å; M88-V97 HydrophobicContact SD-CG1 4.16Å; M88-L342 HydrophobicContact CE-CD1 4.3Å; M88-L342 HydrophobicContact SD-CD1 4.41Å; M88-Y352 HydrophobicContact CE-CD1 4.33Å; M88-Y352 HydrophobicContact CE-CD2 3.91Å; M88-Y352 HydrophobicContact CE-CE1 4.47Å; M88-Y352 HydrophobicContact CE-CE2 4.06Å; M88-Y352 HydrophobicContact CE-CG 4.02Å |
| 89 | D | 98.5 | Very high | 96.3 | Very high | 52 Ų | 52 | 62.5 Ų | 62.5 | 28% | 0.278 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 106.4 | 175.5 | -175.2 | -12.2 | 0 | 0 | 0 | 109.8 | L62 N91 E92 P95 | L62-D89 HydrophobicContact CD2-CB 3.94Å; D89-N91 PolarHBondContact O-N 2.53Å; D89-N91 WeakPolarHBondContact OD1-CB 3.2Å; D89-N91 PolarHBondContact OD1-N 3.18Å; D89-N91 PolarHBondContact OD1-ND2 3Å; D89-E92 HydrophobicContact CB-CG 4.13Å; D89-E92 PolarHBondContact O-N 3.02Å; D89-P95 WeakPolarHBondContact O-CB 3.31Å |
| 90 | L | 98.4 | Very high | 96.7 | Very high | 9 Ų | 9 | 59.5 Ų | 59.5 | 5% | 0.047 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -0.8 | -176.2 | -55.3 | -175.4 | 0 | 0 | 0 | 113.8 | I57 G61 A63 M88 Y337 Y352 | I57-L90 HydrophobicContact CD1-CD1 3.53Å; I57-L90 HydrophobicContact CG1-CD1 3.94Å; I57-L90 HydrophobicContact CG2-CD1 3.81Å; G61-L90 VanDerWaalsContact O-CB 3.3Å; G61-L90 WeakPolarHBondContact O-CB 3.3Å; G61-L90 VanDerWaalsContact O-CG 3.31Å; G61-L90 WeakPolarHBondContact O-CG 3.34Å; G61-L90 PolarHBondContact O-N 3.29Å; A63-L90 HydrophobicContact CB-CD1 4.14Å; A63-L90 HydrophobicContact CB-CD2 4.42Å; A63-L90 HydrophobicContact CB-CG 4.16Å; M88-L90 HydrophobicContact CE-CD2 3.24Å; M88-L90 HydrophobicContact CG-CD2 3.93Å; M88-L90 HydrophobicContact SD-CD2 4.03Å; L90-Y337 HydrophobicContact CB-CD1 3.56Å; L90-Y337 HydrophobicContact CB-CE1 4.05Å; L90-Y337 HydrophobicContact CB-CG 4.34Å; L90-Y337 HydrophobicContact CD1-CD1 4.22Å; L90-Y337 HydrophobicContact CD1-CG 4.19Å; L90-Y352 HydrophobicContact CD2-CE2 3.9Å |
| 91 | N | 98.1 | Very high | 97 | Very high | 77 Ų | 77 | 54.3 Ų | 54.3 | 41% | 0.412 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -13.1 | 171.2 | -53 | -79.6 | 0 | 0 | 0 | 112.5 | N60 D89 Y337 K338 | N60-N91 PolarHBondContact O-ND2 2.82Å; D89-N91 PolarHBondContact O-N 2.53Å; D89-N91 WeakPolarHBondContact OD1-CB 3.2Å; D89-N91 PolarHBondContact OD1-N 3.18Å; D89-N91 PolarHBondContact OD1-ND2 3Å; N91-Y337 WeakPolarHBondContact OD1-CE1 3.17Å; N91-Y337 PolarHBondContact OD1-OH 2.99Å; N91-K338 PolarHBondContact OD1-NZ 3.48Å; N91-K338 VanDerWaalsContact OD1-NZ 3.07Å |
| 92 | E | 96.9 | Very high | 97.2 | Very high | 85 Ų | 85 | 52.1 Ų | 52.1 | 40% | 0.397 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -71.3 | 150.7 | 174.2 | -64.6 | -176 | 172.4 | 0 | 0 | 111.5 | D89 P95 | D89-E92 HydrophobicContact CB-CG 4.13Å; D89-E92 PolarHBondContact O-N 3.02Å; E92-P95 HydrophobicContact CB-CB 4.21Å |
| 93 | E | 90.8 | Very high | 97.2 | Very high | 204 Ų | 204 | 52.5 Ų | 52.5 | 95% | 0.953 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -71.1 | -40.8 | 179.2 | -172.8 | 179.2 | 179.5 | 0 | 0 | 112.5 | ||
| 94 | D | 91.9 | Very high | 96.8 | Very high | 114 Ų | 114 | 53.9 Ų | 53.9 | 61% | 0.61 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -125 | 77.7 | 173 | -174.4 | 23.7 | 0 | 0 | 0 | 108.4 | K46 T96 | K46-D94 IonicContact NZ-OD2 2.82Å; D94-T96 PolarHBondContact O-N 2.75Å |
| 95 | P | 95.2 | Very high | 96.1 | Very high | 13 Ų | 13 | 56.1 Ų | 56.1 | 8% | 0.084 | 32% | 0.321 | C | S | . | . | trans | -64.8 | 135.8 | -170.5 | 26.7 | -35.9 | 0 | 0 | 0 | 111.8 | M88 D89 E92 Y352 | M88-P95 HydrophobicContact CE-CB 3.59Å; M88-P95 HydrophobicContact CE-CG 3.29Å; M88-P95 HydrophobicContact CG-CB 3.85Å; M88-P95 HydrophobicContact SD-CB 4.38Å; D89-P95 WeakPolarHBondContact O-CB 3.31Å; E92-P95 HydrophobicContact CB-CB 4.21Å; P95-Y352 HydrophobicContact CG-CD1 3.99Å; P95-Y352 HydrophobicContact CG-CE1 3.57Å | ||
| 96 | T | 96 | Very high | 95.5 | Very high | 90 Ų | 90 | 65.4 Ų | 65.4 | 55% | 0.552 | 36% | 0.361 | S | S | * | . | trans | -111.2 | 157.2 | 177.2 | 62.3 | 0 | 0 | 0 | 0 | 111.6 | D94 | D94-T96 PolarHBondContact O-N 2.75Š| ||
| 97 | V | 97.8 | Very high | 95.3 | Very high | 31 Ų | 31 | 66.1 Ų | 66.1 | 19% | 0.188 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 138.6 | 177 | -64.1 | 0 | 0 | 0 | 0 | 111 | V45 K46 I48 I65 L86 L87 M88 | V45-V97 HydrophobicContact CG1-CG1 3.47Å; V45-V97 VanDerWaalsContact CG1-CG1 3.47Å; K46-V97 VanDerWaalsContact O-CG2 3.3Å; K46-V97 WeakPolarHBondContact O-CG2 3.39Å; I48-V97 HydrophobicContact CD1-CG1 3.88Å; I48-V97 HydrophobicContact CG1-CG1 4.19Å; I48-V97 HydrophobicContact CG1-CG2 4.3Å; I65-V97 HydrophobicContact CD1-CG1 4.4Å; L86-V97 HydrophobicContact CB-CB 4.47Å; L86-V97 HydrophobicContact CD1-CB 4.46Å; L87-V97 WeakPolarHBondContact O-CA 3.22Å; M88-V97 HydrophobicContact CB-CG1 4.25Å; M88-V97 HydrophobicContact CG-CG1 4.46Å; M88-V97 HydrophobicContact SD-CG1 4.16Å |
| 98 | L | 98.1 | Very high | 95.1 | Very high | 75 Ų | 75 | 69.4 Ų | 69.4 | 39% | 0.393 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 132.5 | 173.5 | 177.2 | 72.5 | 0 | 0 | 0 | 109.4 | L86 L87 L100 K151 | L86-L98 CarbonylContact C-O 3.2Å; L86-L98 VanDerWaalsContact CA-O 3.25Å; L86-L98 WeakPolarHBondContact CA-O 3.34Å; L87-L98 PolarHBondContact N-O 3.18Å; L87-L98 PolarHBondContact O-N 2.96Å; L98-L100 PolarHBondContact O-N 3.34Å; L98-K151 HydrophobicContact CD2-CB 3.71Å; L98-K151 HydrophobicContact CD2-CD 3.25Å; L98-K151 HydrophobicContact CD2-CG 4.1Å |
| 99 | E | 98.3 | Very high | 95 | Very high | 103 Ų | 103 | 73.4 Ų | 73.4 | 48% | 0.481 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 123.3 | 168.6 | 179.7 | 176.5 | 167.9 | 0 | 0 | 110.2 | K84 L86 | K84-E99 HydrophobicContact CB-CG 4.38Å; K84-E99 VanDerWaalsContact CD-CD 3.45Å; K84-E99 HydrophobicContact CD-CG 4.06Å; K84-E99 WeakPolarHBondContact CD-OE2 3.12Å; K84-E99 WeakPolarHBondContact CE-OE1 3.32Å; K84-E99 WeakPolarHBondContact CE-OE2 3.19Å; K84-E99 HydrophobicContact CG-CG 4.33Å; K84-E99 IonicContact NZ-OE1 3.47Å; K84-E99 IonicContact NZ-OE2 2.99Å; K84-E99 PolarHBondContact NZ-OE2 3.35Å; L86-E99 HydrophobicContact CD2-CB 4.08Å |
| 100 | L | 98.6 | Very high | 94.8 | Very high | 5 Ų | 5 | 75.4 Ų | 75.4 | 3% | 0.026 | 42% | 0.421 | C | S | . | . | P | Polyproline II helix | trans | -74.3 | 127.4 | 176.6 | -69.2 | 176.2 | 0 | 0 | 0 | 110.3 | F64 I85 L87 L98 I102 F146 K151 L153 | F64-L100 HydrophobicContact CD1-CD1 3.76Å; F64-L100 HydrophobicContact CE1-CD1 3.7Å; I85-L100 HydrophobicContact CG2-CD1 3.9Å; I85-L100 PolarHBondContact O-N 2.98Å; L87-L100 HydrophobicContact CB-CD1 4.17Å; L87-L100 HydrophobicContact CB-CD2 3.81Å; L87-L100 HydrophobicContact CB-CG 3.91Å; L87-L100 HydrophobicContact CD2-CD2 3.99Å; L87-L100 HydrophobicContact CG-CD2 4.43Å; L98-L100 PolarHBondContact O-N 3.34Å; L100-I102 PolarHBondContact O-N 2.59Å; L100-F146 HydrophobicContact CD1-CD2 4.48Å; L100-F146 HydrophobicContact CD1-CE2 4.33Å; L100-F146 HydrophobicContact CD2-CE2 4.03Å; L100-K151 VanDerWaalsContact CD2-C 3.42Å; L100-K151 HydrophobicContact CD2-CB 4.18Å; L100-K151 WeakPolarHBondContact CD2-O 3.47Å; L100-L153 HydrophobicContact CB-CD1 4.22Å; L100-L153 HydrophobicContact CB-CG 4.17Å; L100-L153 HydrophobicContact CD1-CD1 3.94Å; L100-L153 HydrophobicContact CD1-CD2 4.08Å; L100-L153 HydrophobicContact CD1-CG 3.82Å |
| 101 | G | 97.6 | Very high | 94.7 | Very high | 41 Ų | 41 | 76.1 Ų | 76.1 | 42% | 0.423 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 129.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | S152 L153 | G101-S152 CarbonylContact O-C 3.36Å; G101-S152 VanDerWaalsContact O-CA 3.22Å; G101-S152 WeakPolarHBondContact O-CA 3.43Å; G101-S152 WeakPolarHBondContact O-CB 3.41Å; G101-L153 PolarHBondContact O-N 2.86Å |
| 102 | I | 98.1 | Very high | 94.7 | Very high | 34 Ų | 34 | 72.6 Ų | 72.6 | 17% | 0.174 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 126.8 | 174.6 | -60.4 | 177.4 | 0 | 0 | 0 | 109.4 | L100 F107 L109 F112 F144 L153 | L100-I102 PolarHBondContact O-N 2.59Å; I102-F107 HydrophobicContact CD1-CE1 4.07Å; I102-F107 HydrophobicContact CG2-CD1 3.55Å; I102-F107 HydrophobicContact CG2-CE1 3.85Å; I102-F107 HydrophobicContact CG2-CG 4.42Å; I102-L109 HydrophobicContact CB-CD1 4.28Å; I102-L109 HydrophobicContact CD1-CD1 3.91Å; I102-L109 HydrophobicContact CG1-CD1 4.49Å; I102-F112 HydrophobicContact CD1-CD1 3.99Å; I102-F112 HydrophobicContact CD1-CE1 3.64Å; I102-F112 HydrophobicContact CD1-CZ 4.13Å; I102-F144 HydrophobicContact CD1-CE1 4.38Å; I102-F144 HydrophobicContact CD1-CZ 4.42Å; I102-F144 HydrophobicContact CG2-CD1 4.34Å; I102-F144 HydrophobicContact CG2-CE1 3.65Å; I102-L153 WeakPolarHBondContact CA-O 3.31Å; I102-L153 HydrophobicContact CG1-CB 4.26Å; I102-L153 HydrophobicContact CG1-CD1 4.37Å |
| 103 | T | 95.4 | Very high | 94.7 | Very high | 62 Ų | 62 | 69.5 Ų | 69.5 | 38% | 0.38 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 160.4 | 175.6 | 70.2 | 0 | 0 | 0 | 0 | 111 | L153 L154 H155 | T103-L153 PolarHBondContact N-O 2.63Å; T103-L154 WeakPolarHBondContact OG1-CD1 3.37Å; T103-H155 WeakPolarHBondContact O-CB 3.34Å; T103-H155 PolarHBondContact O-N 2.89Å |
| 104 | G | 90.6 | Very high | 95.1 | Very high | 31 Ų | 31 | 59.8 Ų | 59.8 | 32% | 0.32 | 35% | 0.348 | S | S | . | . | trans | 128.8 | 116.7 | -178 | 0 | 0 | 0 | 0 | 0 | 111.2 | K106 F107 | G104-K106 PolarHBondContact O-N 2.82Å; G104-F107 PolarHBondContact O-N 3.22Å | ||
| 105 | S | 82.4 | Confident | 95.4 | Very high | 129 Ų | 129 | 54.7 Ų | 54.7 | 90% | 0.902 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -10.9 | -168.1 | 56.3 | 0 | 0 | 0 | 0 | 115.6 | ||
| 106 | K | 86.8 | Confident | 95.6 | Very high | 195 Ų | 195 | 54 Ų | 54 | 85% | 0.848 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.7 | -4.4 | -177.4 | -63.8 | -177.5 | -178.5 | 175.7 | 0 | 113.5 | G104 | G104-K106 PolarHBondContact O-N 2.82Š|
| 107 | F | 94.5 | Very high | 95.7 | Very high | 27 Ų | 27 | 50 Ų | 50 | 12% | 0.118 | 29% | 0.291 | C | S | . | . | trans | -87.2 | 126.4 | -179.4 | -171.6 | -112.2 | 0 | 0 | 0 | 110.3 | I102 G104 L109 F112 E142 F144 H155 | I102-F107 HydrophobicContact CD1-CE1 4.07Å; I102-F107 HydrophobicContact CG2-CD1 3.55Å; I102-F107 HydrophobicContact CG2-CE1 3.85Å; I102-F107 HydrophobicContact CG2-CG 4.42Å; G104-F107 PolarHBondContact O-N 3.22Å; F107-L109 HydrophobicContact CE1-CD1 4.14Å; F107-L109 PolarHBondContact O-N 3.37Å; F107-F112 HydrophobicContact CE1-CB 4.28Å; F107-F112 HydrophobicContact CE1-CD2 4.19Å; F107-F112 HydrophobicContact CE1-CG 4.16Å; F107-F112 HydrophobicContact CE2-CD2 4.49Å; F107-F112 HydrophobicContact CZ-CB 4.18Å; F107-F112 AromaticContact CZ-CD2 3.49Å; F107-F112 HydrophobicContact CZ-CD2 3.49Å; F107-F112 VanDerWaalsContact CZ-CD2 3.49Å; F107-F112 AromaticContact CZ-CE2 3.93Å; F107-F112 HydrophobicContact CZ-CE2 3.93Å; F107-F112 AromaticContact CZ-CG 3.89Å; F107-F112 HydrophobicContact CZ-CG 3.89Å; F107-E142 HydrophobicContact CE2-CB 4.41Å; F107-E142 HydrophobicContact CE2-CG 3.83Å; F107-E142 HydrophobicContact CZ-CG 4.48Å; F107-F144 HydrophobicContact CE1-CE1 4.43Å; F107-F144 HydrophobicContact CE1-CZ 4.26Å; F107-F144 HydrophobicContact CE2-CZ 4.1Å; F107-F144 HydrophobicContact CZ-CE1 4.41Å; F107-F144 AromaticContact CZ-CZ 3.87Å; F107-F144 HydrophobicContact CZ-CZ 3.87Å; F107-H155 HydrophobicContact CB-CB 3.91Å; F107-H155 AromaticContact CD2-CD2 3.43Å; F107-H155 VanDerWaalsContact CD2-CD2 3.43Å; F107-H155 WeakPolarHBondContact CD2-CD2 3.43Å; F107-H155 AromaticContact CD2-CE1 3.9Å; F107-H155 AromaticContact CD2-CG 3.81Å; F107-H155 AromaticContact CD2-NE2 3.48Å; F107-H155 WeakPolarHBondContact CD2-NE2 3.45Å; F107-H155 AromaticContact CE2-CD2 3.98Å; F107-H155 HydrophobicContact CG-CB 4.22Å; F107-H155 AromaticContact CG-CD2 3.97Å; F107-H155 AromaticContact CG-CG 3.94Å | ||
| 108 | D | 95 | Very high | 95.8 | Very high | 79 Ų | 79 | 48.7 Ų | 48.7 | 42% | 0.422 | 28% | 0.284 | S | S | . | . | trans | -90 | 94.8 | 175.5 | 177.3 | 20 | 0 | 0 | 0 | 110 | S110 S111 | D108-S110 PolarHBondContact O-N 3.45Å; D108-S110 WeakPolarHBondContact OD1-CB 3.4Å; D108-S110 PolarHBondContact OD1-N 2.85Å; D108-S110 PolarHBondContact OD1-OG 2.86Å; D108-S110 PolarHBondContact OD2-OG 2.84Å; D108-S111 VanDerWaalsContact CG-OG 3.27Å; D108-S111 PolarHBondContact O-OG 3.41Å; D108-S111 WeakPolarHBondContact OD2-CB 3.38Å; D108-S111 PolarHBondContact OD2-OG 2.88Å | ||
| 109 | L | 94.9 | Very high | 95.8 | Very high | 86 Ų | 86 | 46 Ų | 46 | 45% | 0.45 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -64.8 | -24.1 | 178.2 | -172.5 | 62.5 | 0 | 0 | 0 | 112.6 | I102 F107 S111 F112 | I102-L109 HydrophobicContact CB-CD1 4.28Å; I102-L109 HydrophobicContact CD1-CD1 3.91Å; I102-L109 HydrophobicContact CG1-CD1 4.49Å; F107-L109 HydrophobicContact CE1-CD1 4.14Å; F107-L109 PolarHBondContact O-N 3.37Å; L109-S111 VanDerWaalsContact C-N 3.29Å; L109-S111 PolarHBondContact O-N 2.81Å; L109-F112 HydrophobicContact CD1-CB 4.3Å; L109-F112 HydrophobicContact CD1-CD1 4.27Å; L109-F112 WeakPolarHBondContact O-CB 3.37Å; L109-F112 PolarHBondContact O-N 2.79Å |
| 110 | S | 95.1 | Very high | 95.8 | Very high | 93 Ų | 93 | 43.5 Ų | 43.5 | 65% | 0.65 | 26% | 0.258 | S | S | * | . | G | 310 helix | trans | -72.4 | -24.2 | -174.8 | 73 | 0 | 0 | 0 | 0 | 113.4 | D108 | D108-S110 PolarHBondContact O-N 3.45Å; D108-S110 WeakPolarHBondContact OD1-CB 3.4Å; D108-S110 PolarHBondContact OD1-N 2.85Å; D108-S110 PolarHBondContact OD1-OG 2.86Å; D108-S110 PolarHBondContact OD2-OG 2.84Å |
| 111 | S | 96.1 | Very high | 95.8 | Very high | 25 Ų | 25 | 46.2 Ų | 46.2 | 18% | 0.175 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -104.6 | 9.4 | 176 | 58.7 | 0 | 0 | 0 | 0 | 113.2 | D108 L109 N113 | D108-S111 VanDerWaalsContact CG-OG 3.27Å; D108-S111 PolarHBondContact O-OG 3.41Å; D108-S111 WeakPolarHBondContact OD2-CB 3.38Å; D108-S111 PolarHBondContact OD2-OG 2.88Å; L109-S111 VanDerWaalsContact C-N 3.29Å; L109-S111 PolarHBondContact O-N 2.81Å; S111-N113 PolarHBondContact O-N 3.18Å |
| 112 | F | 97.8 | Very high | 95.7 | Very high | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.009 | 27% | 0.268 | C | S | . | . | trans | -66.7 | 122.9 | -179.5 | -174.2 | -135.1 | 0 | 0 | 0 | 111.2 | P82 G83 I85 I102 F107 L109 P114 V131 N133 | P82-F112 WeakPolarHBondContact CA-O 3.45Å; G83-F112 PolarHBondContact N-O 2.9Å; G83-F112 VanDerWaalsContact O-CD1 3.31Å; G83-F112 WeakPolarHBondContact O-CD1 3.37Å; I85-F112 HydrophobicContact CD1-CE1 4.43Å; I85-F112 HydrophobicContact CD1-CZ 4.07Å; I85-F112 HydrophobicContact CG1-CE1 4.12Å; I85-F112 HydrophobicContact CG1-CZ 3.97Å; I102-F112 HydrophobicContact CD1-CD1 3.99Å; I102-F112 HydrophobicContact CD1-CE1 3.64Å; I102-F112 HydrophobicContact CD1-CZ 4.13Å; F107-F112 HydrophobicContact CE1-CB 4.28Å; F107-F112 HydrophobicContact CE1-CD2 4.19Å; F107-F112 HydrophobicContact CE1-CG 4.16Å; F107-F112 HydrophobicContact CE2-CD2 4.49Å; F107-F112 HydrophobicContact CZ-CB 4.18Å; F107-F112 AromaticContact CZ-CD2 3.49Å; F107-F112 HydrophobicContact CZ-CD2 3.49Å; F107-F112 VanDerWaalsContact CZ-CD2 3.49Å; F107-F112 AromaticContact CZ-CE2 3.93Å; F107-F112 HydrophobicContact CZ-CE2 3.93Å; F107-F112 AromaticContact CZ-CG 3.89Å; F107-F112 HydrophobicContact CZ-CG 3.89Å; L109-F112 HydrophobicContact CD1-CB 4.3Å; L109-F112 HydrophobicContact CD1-CD1 4.27Å; L109-F112 WeakPolarHBondContact O-CB 3.37Å; L109-F112 PolarHBondContact O-N 2.79Å; F112-P114 HydrophobicContact CD1-CG 4.31Å; F112-P114 HydrophobicContact CE1-CB 4.05Å; F112-P114 HydrophobicContact CE1-CG 3.81Å; F112-P114 HydrophobicContact CE2-CB 3.82Å; F112-P114 HydrophobicContact CE2-CG 4.33Å; F112-P114 HydrophobicContact CZ-CB 3.54Å; F112-P114 HydrophobicContact CZ-CG 3.85Å; F112-V131 HydrophobicContact CE2-CG1 4.02Å; F112-V131 HydrophobicContact CZ-CG1 4.05Å; F112-N133 HydrophobicContact CD2-CB 4.44Å; F112-N133 WeakPolarHBondContact CD2-OD1 3.28Å; F112-N133 HydrophobicContact CE2-CB 4.37Å | ||
| 113 | N | 98.1 | Very high | 95.6 | Very high | 20 Ų | 20 | 54.4 Ų | 54.4 | 11% | 0.107 | 30% | 0.303 | C | S | . | . | trans | -140.9 | 76.7 | -176.9 | -175.8 | 16.5 | 0 | 0 | 0 | 108.2 | Q70 S111 N133 H134 | Q70-N113 PolarHBondContact N-OD1 2.82Å; Q70-N113 PolarHBondContact O-ND2 2.99Å; S111-N113 PolarHBondContact O-N 3.18Å; N113-N133 PolarHBondContact N-OD1 3.49Å; N113-N133 WeakPolarHBondContact O-CA 3.41Å; N113-N133 PolarHBondContact O-OD1 3.48Å; N113-H134 HydrophobicContact CB-CB 4.25Å; N113-H134 PolarHBondContact ND2-O 2.85Å; N113-H134 PolarHBondContact O-N 2.84Å | ||
| 114 | P | 98.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 148.6 | -174.7 | 33.3 | -34.2 | 0 | 0 | 0 | 111.8 | S66 L69 I85 F112 V131 V132 | S66-P114 WeakPolarHBondContact OG-CB 3.36Å; S66-P114 PolarHBondContact OG-O 2.86Å; L69-P114 VanDerWaalsContact CD1-O 3.3Å; L69-P114 WeakPolarHBondContact CD1-O 3.41Å; I85-P114 HydrophobicContact CD1-CB 3.97Å; I85-P114 HydrophobicContact CD1-CG 4.36Å; F112-P114 HydrophobicContact CD1-CG 4.31Å; F112-P114 HydrophobicContact CE1-CB 4.05Å; F112-P114 HydrophobicContact CE1-CG 3.81Å; F112-P114 HydrophobicContact CE2-CB 3.82Å; F112-P114 HydrophobicContact CE2-CG 4.33Å; F112-P114 HydrophobicContact CZ-CB 3.54Å; F112-P114 HydrophobicContact CZ-CG 3.85Å; P114-V131 HydrophobicContact CB-CG1 3.57Å; P114-V132 CarbonylContact C-O 3.57Å; P114-V132 WeakPolarHBondContact CA-O 3.46Å |
| 115 | H | 98.7 | Very high | 95.8 | Very high | 7 Ų | 7 | 61 Ų | 61 | 3% | 0.032 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | -126.8 | 179.6 | -163.2 | -159.6 | 0 | 0 | 0 | 108.9 | E53 S66 L69 V132 H134 N168 | E53-H115 IonicContact OE1-CD2 2.68Å; E53-H115 IonicContact OE1-NE2 3.74Å; E53-H115 IonicContact OE2-CD2 3.55Å; E53-H115 PolarHBondContact OE2-CD2 3.35Å; E53-H115 IonicContact OE2-CG 3.78Å; E53-H115 IonicContact OE2-NE2 3.68Å; S66-H115 WeakPolarHBondContact CB-O 3.35Å; S66-H115 PolarHBondContact OG-N 3.42Å; S66-H115 PolarHBondContact OG-O 2.86Å; L69-H115 HydrophobicContact CD1-CB 3.79Å; L69-H115 WeakPolarHBondContact CD2-CD2 3.33Å; L69-H115 WeakPolarHBondContact CD2-NE2 3.42Å; H115-V132 HydrophobicContact CB-CB 4.06Å; H115-V132 HydrophobicContact CB-CG1 3.9Å; H115-V132 PolarHBondContact N-O 2.91Å; H115-H134 AromaticContact CG-NE2 3.75Å; H115-H134 AromaticContact ND1-NE2 3.28Å; H115-H134 PolarHBondContact ND1-NE2 2.87Å; H115-N168 PolarHBondContact CE1-ND2 3.38Å; H115-N168 PolarHBondContact ND1-O 3.11Å |
| 116 | G | 98.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.9 | 147.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114 | D54 V132 N168 D169 | D54-G116 WeakPolarHBondContact OD2-CA 3.25Å; G116-V132 WeakPolarHBondContact O-CB 3.32Å; G116-V132 PolarHBondContact O-N 3Å; G116-N168 PolarHBondContact N-O 2.68Å; G116-D169 WeakPolarHBondContact CA-OD1 3.3Å |
| 117 | I | 98.9 | Very high | 97 | Very high | 4 Ų | 4 | 46.9 Ų | 46.9 | 2% | 0.021 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 153.4 | -177.6 | 62.7 | 172 | 0 | 0 | 0 | 110.9 | D54 E56 F64 I85 L129 L130 V131 | D54-I117 HydrophobicContact CB-CG1 4.37Å; D54-I117 WeakPolarHBondContact OD2-CG1 3.49Å; D54-I117 PolarHBondContact OD2-N 2.99Å; E56-I117 HydrophobicContact CB-CD1 4.48Å; F64-I117 HydrophobicContact CB-CD1 3.85Å; I85-I117 HydrophobicContact CD1-CG2 4.36Å; I117-L129 HydrophobicContact CB-CD1 4.16Å; I117-L129 HydrophobicContact CD1-CD1 4.31Å; I117-L130 CarbonylContact C-O 3.58Å; I117-L130 VanDerWaalsContact CA-O 3.31Å; I117-L130 WeakPolarHBondContact CA-O 3.49Å; I117-V131 HydrophobicContact CG2-CB 4.26Å; I117-V131 HydrophobicContact CG2-CG1 4.02Å; I117-V131 HydrophobicContact CG2-CG2 3.94Å |
| 118 | S | 98.9 | Very high | 97.3 | Very high | 5 Ų | 5 | 47.2 Ų | 47.2 | 4% | 0.035 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 144 | 168.2 | -172.3 | 0 | 0 | 0 | 0 | 112.9 | E56 L130 I170 A172 | E56-S118 WeakPolarHBondContact OE2-CA 3.2Å; S118-L130 PolarHBondContact N-O 2.84Å; S118-L130 PolarHBondContact O-N 2.77Å; S118-I170 WeakPolarHBondContact CB-O 3.27Å; S118-A172 PolarHBondContact OG-N 2.78Å |
| 119 | T | 98.9 | Very high | 97.4 | Very high | 18 Ų | 18 | 43.5 Ų | 43.5 | 11% | 0.11 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 149.9 | 174.8 | 80.7 | 0 | 0 | 0 | 0 | 113 | E56 L58 F64 Y128 L129 | E56-T119 HydrophobicContact CB-CG2 4.2Å; E56-T119 VanDerWaalsContact CD-N 3.35Å; E56-T119 HydrophobicContact CG-CG2 4.17Å; E56-T119 WeakPolarHBondContact OE1-CB 3.43Å; E56-T119 PolarHBondContact OE1-N 2.99Å; E56-T119 PolarHBondContact OE1-OG1 2.77Å; E56-T119 PolarHBondContact OE2-N 3.12Å; L58-T119 HydrophobicContact CD2-CG2 3.92Å; L58-T119 WeakPolarHBondContact CD2-OG1 3.24Å; F64-T119 HydrophobicContact CD2-CG2 3.73Å; F64-T119 HydrophobicContact CE2-CG2 3.98Å; T119-Y128 CarbonylContact C-O 3.55Å; T119-Y128 VanDerWaalsContact CA-O 3.26Å; T119-Y128 WeakPolarHBondContact CA-O 3.42Å; T119-L129 HydrophobicContact CG2-CD1 3.91Å |
| 120 | F | 98.8 | Very high | 97.6 | Very high | 50 Ų | 50 | 39.4 Ų | 39.4 | 22% | 0.219 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 124.3 | 167.3 | 179.8 | -96.1 | 0 | 0 | 0 | 109.1 | D122 Y128 A172 P175 | F120-D122 HydrophobicContact CD1-CB 4.41Å; F120-D122 HydrophobicContact CE1-CB 3.91Å; F120-Y128 HydrophobicContact CD1-CD2 4.15Å; F120-Y128 PolarHBondContact N-O 2.91Å; F120-Y128 PolarHBondContact O-N 2.87Å; F120-A172 HydrophobicContact CB-CB 3.96Å; F120-P175 HydrophobicContact CD1-CG 3.91Å; F120-P175 VanDerWaalsContact CE1-CD 3.5Å; F120-P175 HydrophobicContact CE1-CG 3.81Å |
| 121 | T | 98.2 | Very high | 97.8 | Very high | 63 Ų | 63 | 35 Ų | 35 | 39% | 0.387 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 118.6 | 173.4 | -56.3 | 0 | 0 | 0 | 0 | 109 | A126 V127 | T121-A126 WeakPolarHBondContact CA-O 3.3Å; T121-V127 HydrophobicContact CG2-CG2 4.46Å |
| 122 | D | 95.8 | Very high | 98 | Very high | 50 Ų | 50 | 33.8 Ų | 33.8 | 27% | 0.267 | 18% | 0.175 | S | C | . | . | trans | -81.9 | 170.9 | -178.8 | -159.1 | 1.9 | 0 | 0 | 0 | 111.8 | F120 D124 N125 A126 Y128 | F120-D122 HydrophobicContact CD1-CB 4.41Å; F120-D122 HydrophobicContact CE1-CB 3.91Å; D122-D124 PolarHBondContact O-N 3.46Å; D122-D124 VanDerWaalsContact O-N 3.12Å; D122-N125 WeakPolarHBondContact O-CA 3.5Å; D122-N125 PolarHBondContact O-N 2.95Å; D122-A126 HydrophobicContact CB-CB 4.46Å; D122-A126 PolarHBondContact N-O 2.84Å; D122-Y128 HydrophobicContact CB-CD2 4.39Å; D122-Y128 HydrophobicContact CB-CE2 3.85Å | ||
| 123 | E | 94.8 | Very high | 98 | Very high | 196 Ų | 196 | 33.8 Ų | 33.8 | 92% | 0.916 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -24.8 | -175.7 | -65.2 | -175.7 | 174.9 | 0 | 0 | 113.4 | N125 | E123-N125 VanDerWaalsContact C-N 3.27Š|
| 124 | D | 94.2 | Very high | 97.9 | Very high | 103 Ų | 103 | 33.8 Ų | 33.8 | 55% | 0.551 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | 6.5 | 175.5 | 71 | -15 | 0 | 0 | 0 | 113.6 | D122 A126 | D122-D124 PolarHBondContact O-N 3.46Å; D122-D124 VanDerWaalsContact O-N 3.12Å; D124-A126 PolarHBondContact O-N 2.82Å; D124-A126 WeakPolarHBondContact OD1-CB 3.43Å; D124-A126 PolarHBondContact OD1-N 3.26Å |
| 125 | N | 95.4 | Very high | 97.8 | Very high | 129 Ų | 129 | 34.2 Ų | 34.2 | 69% | 0.69 | 18% | 0.177 | S | C | * | . | trans | 64.7 | 16.6 | -171 | -50.6 | -79.7 | 0 | 0 | 0 | 114.3 | D122 E123 V127 | D122-N125 WeakPolarHBondContact O-CA 3.5Å; D122-N125 PolarHBondContact O-N 2.95Å; E123-N125 VanDerWaalsContact C-N 3.27Å; N125-V127 PolarHBondContact O-N 2.81Å | ||
| 126 | A | 97.7 | Very high | 97.3 | Very high | 9 Ų | 9 | 39.9 Ų | 39.9 | 7% | 0.074 | 21% | 0.207 | C | C | . | . | P | Polyproline II helix | trans | -65.8 | 123.2 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | T121 D122 D124 Y128 | T121-A126 WeakPolarHBondContact CA-O 3.3Å; D122-A126 HydrophobicContact CB-CB 4.46Å; D122-A126 PolarHBondContact N-O 2.84Å; D124-A126 PolarHBondContact O-N 2.82Å; D124-A126 WeakPolarHBondContact OD1-CB 3.43Å; D124-A126 PolarHBondContact OD1-N 3.26Å; A126-Y128 HydrophobicContact CB-CE2 3.91Å |
| 127 | V | 98.7 | Very high | 96.6 | Very high | 19 Ų | 19 | 43.6 Ų | 43.6 | 12% | 0.115 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 119.9 | 174.7 | 178.8 | 0 | 0 | 0 | 0 | 109 | L58 F64 T121 N125 F146 | L58-V127 HydrophobicContact CD1-CG1 4.05Å; L58-V127 HydrophobicContact CD1-CG2 4.16Å; L58-V127 HydrophobicContact CD2-CG1 4.09Å; F64-V127 HydrophobicContact CE2-CG1 4.25Å; F64-V127 HydrophobicContact CZ-CG1 4.44Å; T121-V127 HydrophobicContact CG2-CG2 4.46Å; N125-V127 PolarHBondContact O-N 2.81Å; V127-F146 HydrophobicContact CB-CB 4.11Å; V127-F146 HydrophobicContact CB-CD1 4.32Å; V127-F146 HydrophobicContact CG1-CB 4.12Å; V127-F146 HydrophobicContact CG1-CD1 4.44Å; V127-F146 PolarHBondContact O-N 3.01Å |
| 128 | Y | 98.9 | Very high | 96.3 | Very high | 34 Ų | 34 | 49.1 Ų | 49.1 | 13% | 0.133 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 136.1 | 170.1 | -62.9 | -84 | 0 | 0 | 0 | 109.3 | T119 F120 D122 A126 L143 F144 K145 L156 P175 | T119-Y128 CarbonylContact C-O 3.55Å; T119-Y128 VanDerWaalsContact CA-O 3.26Å; T119-Y128 WeakPolarHBondContact CA-O 3.42Å; F120-Y128 HydrophobicContact CD1-CD2 4.15Å; F120-Y128 PolarHBondContact N-O 2.91Å; F120-Y128 PolarHBondContact O-N 2.87Å; D122-Y128 HydrophobicContact CB-CD2 4.39Å; D122-Y128 HydrophobicContact CB-CE2 3.85Å; A126-Y128 HydrophobicContact CB-CE2 3.91Å; Y128-L143 HydrophobicContact CD1-CD1 3.88Å; Y128-L143 HydrophobicContact CG-CD1 4.31Å; Y128-F144 CarbonylContact C-O 3.58Å; Y128-F144 VanDerWaalsContact CA-O 3.28Å; Y128-F144 WeakPolarHBondContact CA-O 3.27Å; Y128-K145 HydrophobicContact CD1-CB 4.44Å; Y128-K145 HydrophobicContact CE1-CB 4.43Å; Y128-L156 HydrophobicContact CD1-CD1 4.08Å; Y128-L156 HydrophobicContact CE1-CD1 3.73Å; Y128-P175 HydrophobicContact CD1-CB 4.37Å; Y128-P175 HydrophobicContact CD2-CB 4.02Å; Y128-P175 HydrophobicContact CD2-CG 4.18Å; Y128-P175 HydrophobicContact CE1-CB 4.35Å; Y128-P175 HydrophobicContact CE2-CB 3.99Å; Y128-P175 HydrophobicContact CE2-CG 3.96Å; Y128-P175 HydrophobicContact CG-CB 4.2Å |
| 129 | L | 98.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 118.3 | 171.5 | 179.3 | 70.4 | 0 | 0 | 0 | 107.5 | F64 I85 I117 T119 V131 F144 L153 | F64-L129 HydrophobicContact CB-CD1 4.31Å; F64-L129 HydrophobicContact CD1-CD2 4.15Å; F64-L129 HydrophobicContact CD2-CD1 4.24Å; F64-L129 HydrophobicContact CG-CD1 4.2Å; F64-L129 HydrophobicContact CG-CD2 4.36Å; I85-L129 HydrophobicContact CG1-CD2 4.34Å; I85-L129 HydrophobicContact CG2-CD2 3.87Å; I117-L129 HydrophobicContact CB-CD1 4.16Å; I117-L129 HydrophobicContact CD1-CD1 4.31Å; T119-L129 HydrophobicContact CG2-CD1 3.91Å; L129-V131 HydrophobicContact CD2-CG2 3.87Å; L129-V131 HydrophobicContact CG-CG2 3.78Å; L129-F144 HydrophobicContact CB-CB 4.43Å; L129-F144 PolarHBondContact N-O 3.36Å; L129-F144 PolarHBondContact O-N 2.99Å; L129-L153 HydrophobicContact CB-CD2 4.34Å; L129-L153 HydrophobicContact CD2-CD1 3.85Å; L129-L153 HydrophobicContact CD2-CD2 3.93Å |
| 130 | L | 98.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 133.2 | 171.7 | -67.9 | 76.5 | 0 | 0 | 0 | 107.8 | I117 S118 V141 E142 L143 I170 A172 F178 | I117-L130 CarbonylContact C-O 3.58Å; I117-L130 VanDerWaalsContact CA-O 3.31Å; I117-L130 WeakPolarHBondContact CA-O 3.49Å; S118-L130 PolarHBondContact N-O 2.84Å; S118-L130 PolarHBondContact O-N 2.77Å; L130-V141 HydrophobicContact CB-CG1 3.98Å; L130-V141 HydrophobicContact CD2-CG1 4.25Å; L130-V141 HydrophobicContact CG-CG1 4.46Å; L130-E142 CarbonylContact C-O 3.58Å; L130-E142 WeakPolarHBondContact CA-O 3.37Å; L130-L143 HydrophobicContact CD1-CD1 3.89Å; L130-L143 HydrophobicContact CG-CD1 3.99Å; L130-I170 HydrophobicContact CB-CD1 3.28Å; L130-I170 HydrophobicContact CD2-CD1 4.09Å; L130-I170 HydrophobicContact CG-CD1 4.33Å; L130-A172 HydrophobicContact CD1-CB 3.9Å; L130-A172 HydrophobicContact CD2-CB 4.28Å; L130-F178 HydrophobicContact CD2-CB 4.37Å; L130-F178 HydrophobicContact CD2-CD1 3.53Å; L130-F178 HydrophobicContact CD2-CE1 4.19Å; L130-F178 HydrophobicContact CD2-CG 4.25Å |
| 131 | V | 98.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 121.3 | -175 | 179.7 | 0 | 0 | 0 | 0 | 109.4 | I85 F112 P114 I117 L129 N133 V141 E142 F144 | I85-V131 HydrophobicContact CD1-CG1 4.15Å; I85-V131 HydrophobicContact CD1-CG2 4.09Å; I85-V131 HydrophobicContact CG1-CG2 4.44Å; F112-V131 HydrophobicContact CE2-CG1 4.02Å; F112-V131 HydrophobicContact CZ-CG1 4.05Å; P114-V131 HydrophobicContact CB-CG1 3.57Å; I117-V131 HydrophobicContact CG2-CB 4.26Å; I117-V131 HydrophobicContact CG2-CG1 4.02Å; I117-V131 HydrophobicContact CG2-CG2 3.94Å; L129-V131 HydrophobicContact CD2-CG2 3.87Å; L129-V131 HydrophobicContact CG-CG2 3.78Å; V131-N133 PolarHBondContact O-N 2.9Å; V131-V141 CarbonylContact O-C 3.55Å; V131-V141 WeakPolarHBondContact O-CA 3.43Å; V131-E142 PolarHBondContact N-O 3.02Å; V131-E142 PolarHBondContact O-N 2.61Å; V131-F144 HydrophobicContact CB-CD2 4.48Å; V131-F144 HydrophobicContact CB-CE2 4.03Å; V131-F144 HydrophobicContact CG2-CD2 3.86Å; V131-F144 HydrophobicContact CG2-CE2 3.77Å |
| 132 | V | 98.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 128.7 | 165 | 176 | 0 | 0 | 0 | 0 | 108.3 | P114 H115 G116 T140 L167 I170 | P114-V132 CarbonylContact C-O 3.57Å; P114-V132 WeakPolarHBondContact CA-O 3.46Å; H115-V132 HydrophobicContact CB-CB 4.06Å; H115-V132 HydrophobicContact CB-CG1 3.9Å; H115-V132 PolarHBondContact N-O 2.91Å; G116-V132 WeakPolarHBondContact O-CB 3.32Å; G116-V132 PolarHBondContact O-N 3Å; V132-T140 WeakPolarHBondContact CA-O 3.48Å; V132-L167 HydrophobicContact CB-CB 4.47Å; V132-L167 HydrophobicContact CG1-CB 3.52Å; V132-L167 HydrophobicContact CG1-CD1 4.44Å; V132-L167 HydrophobicContact CG2-CB 4.09Å; V132-I170 HydrophobicContact CG2-CG1 4.27Å; V132-I170 HydrophobicContact CG2-CG2 3.83Å |
| 133 | N | 98.7 | Very high | 96.3 | Very high | 3 Ų | 3 | 41.6 Ų | 41.6 | 2% | 0.016 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 139.2 | -176.1 | 175.1 | 38.4 | 0 | 0 | 0 | 110.9 | F112 N113 V131 P135 T140 E142 | F112-N133 HydrophobicContact CD2-CB 4.44Å; F112-N133 WeakPolarHBondContact CD2-OD1 3.28Å; F112-N133 HydrophobicContact CE2-CB 4.37Å; N113-N133 PolarHBondContact N-OD1 3.49Å; N113-N133 WeakPolarHBondContact O-CA 3.41Å; N113-N133 PolarHBondContact O-OD1 3.48Å; V131-N133 PolarHBondContact O-N 2.9Å; N133-P135 WeakPolarHBondContact O-CD 3.32Å; N133-T140 WeakPolarHBondContact CB-OG1 3.43Å; N133-T140 PolarHBondContact N-O 2.98Å; N133-T140 PolarHBondContact O-N 3.1Å; N133-T140 PolarHBondContact O-OG1 3.1Å; N133-E142 HydrophobicContact CB-CG 3.59Å; N133-E142 PolarHBondContact ND2-OE1 2.79Å |
| 134 | H | 97.1 | Very high | 96.5 | Very high | 20 Ų | 20 | 32.2 Ų | 32.2 | 9% | 0.093 | 18% | 0.178 | C | C | . | . | trans | -116.6 | 59.2 | -174.9 | -63.4 | -64.9 | 0 | 0 | 0 | 115.1 | N113 H115 K138 S139 L167 | N113-H134 HydrophobicContact CB-CB 4.25Å; N113-H134 PolarHBondContact ND2-O 2.85Å; N113-H134 PolarHBondContact O-N 2.84Å; H115-H134 AromaticContact CG-NE2 3.75Å; H115-H134 AromaticContact ND1-NE2 3.28Å; H115-H134 PolarHBondContact ND1-NE2 2.87Å; H134-K138 CarbonylContact C-O 3.46Å; H134-K138 WeakPolarHBondContact CA-O 3.28Å; H134-S139 PolarHBondContact CE1-OG 3.35Å; H134-S139 PolarHBondContact ND1-OG 2.94Å; H134-L167 PolarHBondContact CE1-O 2.9Å; H134-L167 PolarHBondContact NE2-O 2.9Å | ||
| 135 | P | 95.2 | Very high | 96.7 | Very high | 9 Ų | 9 | 30.9 Ų | 30.9 | 6% | 0.058 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -75.8 | 131 | -176.3 | 32.1 | -33.9 | 0 | 0 | 0 | 110.9 | N133 A137 K138 T140 | N133-P135 WeakPolarHBondContact O-CD 3.32Å; P135-A137 VanDerWaalsContact C-N 3.26Å; P135-A137 PolarHBondContact O-N 3.39Å; P135-K138 WeakPolarHBondContact O-CB 3.18Å; P135-K138 PolarHBondContact O-N 2.83Å; P135-T140 HydrophobicContact CG-CG2 4.11Å |
| 136 | D | 88.8 | Confident | 96.9 | Very high | 125 Ų | 125 | 25.4 Ų | 25.4 | 67% | 0.668 | 14% | 0.137 | S | C | * | . | G | 310 helix | trans | 48.8 | 43.5 | 177.1 | -55.7 | -42.1 | 0 | 0 | 0 | 113.9 | K138 | D136-K138 PolarHBondContact O-N 3.22Š|
| 137 | A | 83.9 | Confident | 96.9 | Very high | 79 Ų | 79 | 27.6 Ų | 27.6 | 65% | 0.653 | 15% | 0.146 | S | C | * | . | G | 310 helix | trans | 60.3 | 20.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | P135 | P135-A137 VanDerWaalsContact C-N 3.26Å; P135-A137 PolarHBondContact O-N 3.39Å |
| 138 | K | 92.6 | Very high | 96.8 | Very high | 120 Ų | 120 | 32 Ų | 32 | 52% | 0.522 | 17% | 0.165 | S | C | . | . | trans | -97.9 | 166.6 | 166.4 | -60.2 | 165.5 | -171.2 | 151.8 | 0 | 109.1 | H134 P135 D136 | H134-K138 CarbonylContact C-O 3.46Å; H134-K138 WeakPolarHBondContact CA-O 3.28Å; P135-K138 WeakPolarHBondContact O-CB 3.18Å; P135-K138 PolarHBondContact O-N 2.83Å; D136-K138 PolarHBondContact O-N 3.22Å | ||
| 139 | S | 96.4 | Very high | 96.7 | Very high | 13 Ų | 13 | 39.1 Ų | 39.1 | 9% | 0.091 | 20% | 0.2 | C | C | . | . | trans | -119.8 | 140.1 | 172.7 | -160.4 | 0 | 0 | 0 | 0 | 111.4 | H134 P165 L167 | H134-S139 PolarHBondContact CE1-OG 3.35Å; H134-S139 PolarHBondContact ND1-OG 2.94Å; S139-P165 VanDerWaalsContact CB-O 3.23Å; S139-P165 WeakPolarHBondContact CB-O 3.34Å; S139-L167 WeakPolarHBondContact OG-CB 3.4Å; S139-L167 WeakPolarHBondContact OG-CG 3.3Å; S139-L167 PolarHBondContact OG-N 3.03Å | ||
| 140 | T | 98.3 | Very high | 96.6 | Very high | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.006 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 159.8 | -173.4 | 63.1 | 0 | 0 | 0 | 0 | 110.4 | V132 N133 P135 E142 T158 I159 R160 | V132-T140 WeakPolarHBondContact CA-O 3.48Å; N133-T140 WeakPolarHBondContact CB-OG1 3.43Å; N133-T140 PolarHBondContact N-O 2.98Å; N133-T140 PolarHBondContact O-N 3.1Å; N133-T140 PolarHBondContact O-OG1 3.1Å; P135-T140 HydrophobicContact CG-CG2 4.11Å; T140-E142 PolarHBondContact OG1-OE1 3.06Å; T140-E142 VanDerWaalsContact OG1-OE1 3.1Å; T140-T158 HydrophobicContact CG2-CG2 4.13Å; T140-I159 WeakPolarHBondContact CA-O 3.43Å; T140-R160 HydrophobicContact CG2-CG 3.8Å |
| 141 | V | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 124.7 | 163.5 | 179.7 | 0 | 0 | 0 | 0 | 108.5 | L130 V131 I159 L167 I170 F178 | L130-V141 HydrophobicContact CB-CG1 3.98Å; L130-V141 HydrophobicContact CD2-CG1 4.25Å; L130-V141 HydrophobicContact CG-CG1 4.46Å; V131-V141 CarbonylContact O-C 3.55Å; V131-V141 WeakPolarHBondContact O-CA 3.43Å; V141-I159 HydrophobicContact CB-CB 4.18Å; V141-I159 PolarHBondContact N-O 3.37Å; V141-I159 WeakPolarHBondContact O-CB 3.25Å; V141-I159 PolarHBondContact O-N 3.26Å; V141-L167 HydrophobicContact CG2-CD1 3.43Å; V141-L167 VanDerWaalsContact CG2-CD1 3.43Å; V141-I170 HydrophobicContact CG1-CD1 3.78Å; V141-I170 HydrophobicContact CG2-CG2 4.17Å; V141-F178 HydrophobicContact CB-CE1 4.34Å; V141-F178 HydrophobicContact CB-CZ 4.04Å; V141-F178 HydrophobicContact CG1-CE1 4.16Å; V141-F178 HydrophobicContact CG1-CZ 4.29Å; V141-F178 HydrophobicContact CG2-CE1 4.37Å; V141-F178 HydrophobicContact CG2-CE2 3.91Å; V141-F178 HydrophobicContact CG2-CZ 3.67Å |
| 142 | E | 98.8 | Very high | 96.5 | Very high | 3 Ų | 3 | 50.3 Ų | 50.3 | 1% | 0.014 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 124.1 | 177.4 | -52.7 | -62.4 | 171.2 | 0 | 0 | 109.1 | F107 L130 V131 N133 T140 F144 H155 T158 | F107-E142 HydrophobicContact CE2-CB 4.41Å; F107-E142 HydrophobicContact CE2-CG 3.83Å; F107-E142 HydrophobicContact CZ-CG 4.48Å; L130-E142 CarbonylContact C-O 3.58Å; L130-E142 WeakPolarHBondContact CA-O 3.37Å; V131-E142 PolarHBondContact N-O 3.02Å; V131-E142 PolarHBondContact O-N 2.61Å; N133-E142 HydrophobicContact CB-CG 3.59Å; N133-E142 PolarHBondContact ND2-OE1 2.79Å; T140-E142 PolarHBondContact OG1-OE1 3.06Å; T140-E142 VanDerWaalsContact OG1-OE1 3.1Å; E142-F144 HydrophobicContact CB-CD2 4.24Å; E142-F144 HydrophobicContact CB-CE2 3.39Å; E142-F144 HydrophobicContact CB-CZ 3.71Å; E142-F144 HydrophobicContact CG-CE2 4.46Å; E142-F144 HydrophobicContact CG-CZ 4.49Å; E142-H155 IonicContact OE2-CD2 3.98Å; E142-H155 IonicContact OE2-CE1 3.56Å; E142-H155 IonicContact OE2-NE2 3.64Å; E142-H155 PolarHBondContact OE2-NE2 2.93Å; E142-T158 VanDerWaalsContact OE1-CG2 3.28Å; E142-T158 WeakPolarHBondContact OE1-CG2 3.43Å; E142-T158 VanDerWaalsContact OE2-CA 3.28Å; E142-T158 WeakPolarHBondContact OE2-CA 3.28Å; E142-T158 WeakPolarHBondContact OE2-CB 3.35Å; E142-T158 WeakPolarHBondContact OE2-CG2 3.41Å; E142-T158 PolarHBondContact OE2-OG1 3.45Å |
| 143 | L | 98.7 | Very high | 96.5 | Very high | 10 Ų | 10 | 50.3 Ų | 50.3 | 5% | 0.052 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 119.9 | 176.8 | 173.9 | 58.9 | 0 | 0 | 0 | 109.5 | Y128 L130 L156 K157 P175 E176 | Y128-L143 HydrophobicContact CD1-CD1 3.88Å; Y128-L143 HydrophobicContact CG-CD1 4.31Å; L130-L143 HydrophobicContact CD1-CD1 3.89Å; L130-L143 HydrophobicContact CG-CD1 3.99Å; L143-L156 HydrophobicContact CD2-CB 4.36Å; L143-L156 HydrophobicContact CD2-CD1 4.39Å; L143-L156 HydrophobicContact CG-CB 4.2Å; L143-L156 HydrophobicContact CG-CD1 4.28Å; L143-L156 PolarHBondContact O-N 3.39Å; L143-K157 HydrophobicContact CB-CB 4.19Å; L143-K157 HydrophobicContact CD2-CB 4.44Å; L143-K157 PolarHBondContact N-O 3.48Å; L143-K157 PolarHBondContact O-N 3.45Å; L143-P175 WeakPolarHBondContact CD1-O 3.42Å; L143-P175 WeakPolarHBondContact CD2-O 3.48Å; L143-E176 HydrophobicContact CD2-CB 4.28Å |
| 144 | F | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 149 | 173.8 | -56.9 | -86.8 | 0 | 0 | 0 | 111.1 | I102 F107 Y128 L129 V131 E142 L153 L154 H155 | I102-F144 HydrophobicContact CD1-CE1 4.38Å; I102-F144 HydrophobicContact CD1-CZ 4.42Å; I102-F144 HydrophobicContact CG2-CD1 4.34Å; I102-F144 HydrophobicContact CG2-CE1 3.65Å; F107-F144 HydrophobicContact CE1-CE1 4.43Å; F107-F144 HydrophobicContact CE1-CZ 4.26Å; F107-F144 HydrophobicContact CE2-CZ 4.1Å; F107-F144 HydrophobicContact CZ-CE1 4.41Å; F107-F144 AromaticContact CZ-CZ 3.87Å; F107-F144 HydrophobicContact CZ-CZ 3.87Å; Y128-F144 CarbonylContact C-O 3.58Å; Y128-F144 VanDerWaalsContact CA-O 3.28Å; Y128-F144 WeakPolarHBondContact CA-O 3.27Å; L129-F144 HydrophobicContact CB-CB 4.43Å; L129-F144 PolarHBondContact N-O 3.36Å; L129-F144 PolarHBondContact O-N 2.99Å; V131-F144 HydrophobicContact CB-CD2 4.48Å; V131-F144 HydrophobicContact CB-CE2 4.03Å; V131-F144 HydrophobicContact CG2-CD2 3.86Å; V131-F144 HydrophobicContact CG2-CE2 3.77Å; E142-F144 HydrophobicContact CB-CD2 4.24Å; E142-F144 HydrophobicContact CB-CE2 3.39Å; E142-F144 HydrophobicContact CB-CZ 3.71Å; E142-F144 HydrophobicContact CG-CE2 4.46Å; E142-F144 HydrophobicContact CG-CZ 4.49Å; F144-L153 HydrophobicContact CB-CB 4.03Å; F144-L153 HydrophobicContact CB-CD2 4.05Å; F144-L153 HydrophobicContact CB-CG 4.47Å; F144-L153 HydrophobicContact CD1-CB 3.83Å; F144-L153 HydrophobicContact CG-CB 4.08Å; F144-L153 HydrophobicContact CG-CD1 4.45Å; F144-L154 CarbonylContact C-O 3.47Å; F144-L154 VanDerWaalsContact CA-O 3.27Å; F144-L154 WeakPolarHBondContact CA-O 3.48Å; F144-H155 HydrophobicContact CD1-CB 3.87Å; F144-H155 HydrophobicContact CE1-CB 3.72Å; F144-H155 AromaticContact CE1-CD2 3.59Å; F144-H155 AromaticContact CZ-CD2 3.91Å |
| 145 | K | 98.6 | Very high | 96.5 | Very high | 75 Ų | 75 | 53 Ų | 53 | 33% | 0.326 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 127 | 159.9 | 176.9 | 170.8 | -179.4 | 166.3 | 0 | 108.6 | Y128 L154 L156 | Y128-K145 HydrophobicContact CD1-CB 4.44Å; Y128-K145 HydrophobicContact CE1-CB 4.43Å; K145-L154 PolarHBondContact N-O 3.41Å; K145-L154 PolarHBondContact O-N 3.12Å; K145-L156 HydrophobicContact CB-CD1 3.96Å; K145-L156 HydrophobicContact CB-CG 4.32Å |
| 146 | F | 98.8 | Very high | 96.7 | Very high | 13 Ų | 13 | 56.5 Ų | 56.5 | 6% | 0.057 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 132.3 | 174.7 | 177.4 | -125.5 | 0 | 0 | 0 | 110.7 | L62 F64 L87 L100 V127 E148 L153 | L62-F146 HydrophobicContact CD1-CE1 3.87Å; L62-F146 HydrophobicContact CD1-CZ 4.14Å; F64-F146 HydrophobicContact CE1-CD1 4.45Å; F64-F146 AromaticContact CE1-CD2 3.73Å; F64-F146 HydrophobicContact CE1-CD2 3.73Å; F64-F146 AromaticContact CE1-CE2 3.91Å; F64-F146 HydrophobicContact CE1-CE2 3.91Å; F64-F146 HydrophobicContact CE1-CG 4.02Å; F64-F146 HydrophobicContact CE1-CZ 4.33Å; F64-F146 HydrophobicContact CZ-CB 4.11Å; F64-F146 AromaticContact CZ-CD1 3.77Å; F64-F146 HydrophobicContact CZ-CD1 3.77Å; F64-F146 AromaticContact CZ-CD2 3.85Å; F64-F146 HydrophobicContact CZ-CD2 3.85Å; F64-F146 HydrophobicContact CZ-CE1 4.08Å; F64-F146 HydrophobicContact CZ-CE2 4.17Å; F64-F146 AromaticContact CZ-CG 3.64Å; F64-F146 HydrophobicContact CZ-CG 3.64Å; F64-F146 HydrophobicContact CZ-CZ 4.27Å; L87-F146 HydrophobicContact CD1-CZ 4.3Å; L87-F146 HydrophobicContact CD2-CE2 4.21Å; L87-F146 HydrophobicContact CD2-CZ 3.95Å; L100-F146 HydrophobicContact CD1-CD2 4.48Å; L100-F146 HydrophobicContact CD1-CE2 4.33Å; L100-F146 HydrophobicContact CD2-CE2 4.03Å; V127-F146 HydrophobicContact CB-CB 4.11Å; V127-F146 HydrophobicContact CB-CD1 4.32Å; V127-F146 HydrophobicContact CG1-CB 4.12Å; V127-F146 HydrophobicContact CG1-CD1 4.44Å; V127-F146 PolarHBondContact O-N 3.01Å; F146-E148 HydrophobicContact CD1-CB 4.2Å; F146-E148 HydrophobicContact CE1-CB 3.55Å; F146-E148 HydrophobicContact CE1-CG 3.79Å; F146-E148 HydrophobicContact CZ-CB 3.94Å; F146-E148 HydrophobicContact CZ-CG 4.05Å; F146-L153 HydrophobicContact CB-CD2 4.21Å; F146-L153 HydrophobicContact CD2-CD2 4.09Å |
| 147 | Q | 98.3 | Very high | 97.1 | Very high | 56 Ų | 56 | 54.2 Ų | 54.2 | 26% | 0.262 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 94.1 | 176.1 | -54.5 | -173.8 | -97.4 | 0 | 0 | 107.9 | E150 K151 S152 L154 | Q147-E150 HydrophobicContact CB-CB 4.35Å; Q147-E150 WeakPolarHBondContact CB-OE2 3.36Å; Q147-E150 PolarHBondContact O-N 2.95Å; Q147-K151 WeakPolarHBondContact O-CA 3.39Å; Q147-K151 PolarHBondContact O-N 2.86Å; Q147-S152 PolarHBondContact N-O 3.4Å; Q147-S152 PolarHBondContact O-N 2.91Å; Q147-S152 VanDerWaalsContact O-N 3.1Å; Q147-S152 PolarHBondContact OE1-OG 2.86Å; Q147-L154 HydrophobicContact CG-CB 4.41Å |
| 148 | E | 96.6 | Very high | 97.8 | Very high | 110 Ų | 110 | 52.5 Ų | 52.5 | 51% | 0.514 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -43.9 | -169.3 | -172.2 | 174.8 | 163.9 | 0 | 0 | 112.9 | L62 F146 E150 K151 | L62-E148 HydrophobicContact CD1-CG 4.14Å; F146-E148 HydrophobicContact CD1-CB 4.2Å; F146-E148 HydrophobicContact CE1-CB 3.55Å; F146-E148 HydrophobicContact CE1-CG 3.79Å; F146-E148 HydrophobicContact CZ-CB 3.94Å; F146-E148 HydrophobicContact CZ-CG 4.05Å; E148-E150 VanDerWaalsContact C-N 3.35Å; E148-E150 PolarHBondContact O-N 3.32Å; E148-K151 WeakPolarHBondContact O-CG 3.26Å; E148-K151 PolarHBondContact O-N 3.29Å; E148-K151 VanDerWaalsContact O-N 3.15Å |
| 149 | E | 95.9 | Very high | 98.1 | Very high | 184 Ų | 184 | 46.9 Ų | 46.9 | 86% | 0.86 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -43 | 179.8 | -65.1 | -173.6 | -178.7 | 0 | 0 | 111.7 | K151 | E149-K151 VanDerWaalsContact C-N 3.31Š|
| 150 | E | 97.1 | Very high | 98.1 | Very high | 116 Ų | 116 | 53.2 Ų | 53.2 | 54% | 0.542 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -9 | 178.5 | -62.3 | 87 | 167.9 | 0 | 0 | 113.6 | Q147 E148 S152 | Q147-E150 HydrophobicContact CB-CB 4.35Å; Q147-E150 WeakPolarHBondContact CB-OE2 3.36Å; Q147-E150 PolarHBondContact O-N 2.95Å; E148-E150 VanDerWaalsContact C-N 3.35Å; E148-E150 PolarHBondContact O-N 3.32Å; E150-S152 VanDerWaalsContact C-N 3.3Å; E150-S152 WeakPolarHBondContact CB-OG 3.15Å; E150-S152 PolarHBondContact O-N 3.31Å |
| 151 | K | 97.5 | Very high | 98.1 | Very high | 109 Ų | 109 | 56.3 Ų | 56.3 | 47% | 0.474 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.7 | 54.7 | -170.5 | -56.5 | -168.8 | -179.2 | -167.8 | 0 | 111.3 | L98 L100 Q147 E148 E149 | L98-K151 HydrophobicContact CD2-CB 3.71Å; L98-K151 HydrophobicContact CD2-CD 3.25Å; L98-K151 HydrophobicContact CD2-CG 4.1Å; L100-K151 VanDerWaalsContact CD2-C 3.42Å; L100-K151 HydrophobicContact CD2-CB 4.18Å; L100-K151 WeakPolarHBondContact CD2-O 3.47Å; Q147-K151 WeakPolarHBondContact O-CA 3.39Å; Q147-K151 PolarHBondContact O-N 2.86Å; E148-K151 WeakPolarHBondContact O-CG 3.26Å; E148-K151 PolarHBondContact O-N 3.29Å; E148-K151 VanDerWaalsContact O-N 3.15Å; E149-K151 VanDerWaalsContact C-N 3.31Å |
| 152 | S | 98.3 | Very high | 98 | Very high | 11 Ų | 11 | 64.7 Ų | 64.7 | 8% | 0.077 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 163.2 | -176 | 68.1 | 0 | 0 | 0 | 0 | 113 | G101 Q147 E150 | G101-S152 CarbonylContact O-C 3.36Å; G101-S152 VanDerWaalsContact O-CA 3.22Å; G101-S152 WeakPolarHBondContact O-CA 3.43Å; G101-S152 WeakPolarHBondContact O-CB 3.41Å; Q147-S152 PolarHBondContact N-O 3.4Å; Q147-S152 PolarHBondContact O-N 2.91Å; Q147-S152 VanDerWaalsContact O-N 3.1Å; Q147-S152 PolarHBondContact OE1-OG 2.86Å; E150-S152 VanDerWaalsContact C-N 3.3Å; E150-S152 WeakPolarHBondContact CB-OG 3.15Å; E150-S152 PolarHBondContact O-N 3.31Å |
| 153 | L | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 119 | 175.4 | -66.6 | 173.5 | 0 | 0 | 0 | 109 | I85 L100 G101 I102 T103 L129 F144 F146 | I85-L153 HydrophobicContact CB-CD1 3.82Å; I85-L153 HydrophobicContact CG1-CD1 3.89Å; I85-L153 HydrophobicContact CG2-CD1 4.03Å; L100-L153 HydrophobicContact CB-CD1 4.22Å; L100-L153 HydrophobicContact CB-CG 4.17Å; L100-L153 HydrophobicContact CD1-CD1 3.94Å; L100-L153 HydrophobicContact CD1-CD2 4.08Å; L100-L153 HydrophobicContact CD1-CG 3.82Å; G101-L153 PolarHBondContact O-N 2.86Å; I102-L153 WeakPolarHBondContact CA-O 3.31Å; I102-L153 HydrophobicContact CG1-CB 4.26Å; I102-L153 HydrophobicContact CG1-CD1 4.37Å; T103-L153 PolarHBondContact N-O 2.63Å; L129-L153 HydrophobicContact CB-CD2 4.34Å; L129-L153 HydrophobicContact CD2-CD1 3.85Å; L129-L153 HydrophobicContact CD2-CD2 3.93Å; F144-L153 HydrophobicContact CB-CB 4.03Å; F144-L153 HydrophobicContact CB-CD2 4.05Å; F144-L153 HydrophobicContact CB-CG 4.47Å; F144-L153 HydrophobicContact CD1-CB 3.83Å; F144-L153 HydrophobicContact CG-CB 4.08Å; F144-L153 HydrophobicContact CG-CD1 4.45Å; F146-L153 HydrophobicContact CB-CD2 4.21Å; F146-L153 HydrophobicContact CD2-CD2 4.09Å |
| 154 | L | 98.5 | Very high | 98 | Very high | 58 Ų | 58 | 66.1 Ų | 66.1 | 30% | 0.304 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 111.7 | 171.3 | 175.8 | 63.3 | 0 | 0 | 0 | 109.2 | T103 F144 K145 Q147 L156 | T103-L154 WeakPolarHBondContact OG1-CD1 3.37Å; F144-L154 CarbonylContact C-O 3.47Å; F144-L154 VanDerWaalsContact CA-O 3.27Å; F144-L154 WeakPolarHBondContact CA-O 3.48Å; K145-L154 PolarHBondContact N-O 3.41Å; K145-L154 PolarHBondContact O-N 3.12Å; Q147-L154 HydrophobicContact CG-CB 4.41Å; L154-L156 HydrophobicContact CD2-CD2 3.94Å; L154-L156 HydrophobicContact CG-CD2 3.95Å; L154-L156 PolarHBondContact O-N 2.85Å |
| 155 | H | 98.7 | Very high | 97.7 | Very high | 20 Ų | 20 | 67.2 Ų | 67.2 | 9% | 0.093 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 125.4 | 173.5 | -176.5 | -103.2 | 0 | 0 | 0 | 110.7 | T103 F107 E142 F144 K157 T158 | T103-H155 WeakPolarHBondContact O-CB 3.34Å; T103-H155 PolarHBondContact O-N 2.89Å; F107-H155 HydrophobicContact CB-CB 3.91Å; F107-H155 AromaticContact CD2-CD2 3.43Å; F107-H155 VanDerWaalsContact CD2-CD2 3.43Å; F107-H155 WeakPolarHBondContact CD2-CD2 3.43Å; F107-H155 AromaticContact CD2-CE1 3.9Å; F107-H155 AromaticContact CD2-CG 3.81Å; F107-H155 AromaticContact CD2-NE2 3.48Å; F107-H155 WeakPolarHBondContact CD2-NE2 3.45Å; F107-H155 AromaticContact CE2-CD2 3.98Å; F107-H155 HydrophobicContact CG-CB 4.22Å; F107-H155 AromaticContact CG-CD2 3.97Å; F107-H155 AromaticContact CG-CG 3.94Å; E142-H155 IonicContact OE2-CD2 3.98Å; E142-H155 IonicContact OE2-CE1 3.56Å; E142-H155 IonicContact OE2-NE2 3.64Å; E142-H155 PolarHBondContact OE2-NE2 2.93Å; F144-H155 HydrophobicContact CD1-CB 3.87Å; F144-H155 HydrophobicContact CE1-CB 3.72Å; F144-H155 AromaticContact CE1-CD2 3.59Å; F144-H155 AromaticContact CZ-CD2 3.91Å; H155-K157 PolarHBondContact NE2-O 2.82Å; H155-T158 PolarHBondContact CE1-OG1 2.87Å; H155-T158 PolarHBondContact NE2-OG1 2.91Å |
| 156 | L | 97.9 | Very high | 97.6 | Very high | 83 Ų | 83 | 64 Ų | 64 | 44% | 0.435 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | -41.9 | 179.5 | -58.7 | -176.1 | 0 | 0 | 0 | 111.8 | Y128 L143 K145 L154 | Y128-L156 HydrophobicContact CD1-CD1 4.08Å; Y128-L156 HydrophobicContact CE1-CD1 3.73Å; L143-L156 HydrophobicContact CD2-CB 4.36Å; L143-L156 HydrophobicContact CD2-CD1 4.39Å; L143-L156 HydrophobicContact CG-CB 4.2Å; L143-L156 HydrophobicContact CG-CD1 4.28Å; L143-L156 PolarHBondContact O-N 3.39Å; K145-L156 HydrophobicContact CB-CD1 3.96Å; K145-L156 HydrophobicContact CB-CG 4.32Å; L154-L156 HydrophobicContact CD2-CD2 3.94Å; L154-L156 HydrophobicContact CG-CD2 3.95Å; L154-L156 PolarHBondContact O-N 2.85Å |
| 157 | K | 97.9 | Very high | 97.6 | Very high | 78 Ų | 78 | 63.4 Ų | 63.4 | 34% | 0.339 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.5 | 142.1 | -169.4 | -166.5 | 172 | -180 | 176.5 | 0 | 112.3 | L143 H155 I159 E176 | L143-K157 HydrophobicContact CB-CB 4.19Å; L143-K157 HydrophobicContact CD2-CB 4.44Å; L143-K157 PolarHBondContact N-O 3.48Å; L143-K157 PolarHBondContact O-N 3.45Å; H155-K157 PolarHBondContact NE2-O 2.82Å; K157-I159 HydrophobicContact CD-CG1 4.17Å; K157-I159 HydrophobicContact CG-CG1 4.16Å; K157-E176 IonicContact NZ-OE2 2.77Å; K157-E176 PolarHBondContact NZ-OE2 2.68Å |
| 158 | T | 98.1 | Very high | 97.6 | Very high | 42 Ų | 42 | 60.9 Ų | 60.9 | 26% | 0.258 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 120.9 | 163 | -53.9 | 0 | 0 | 0 | 0 | 109.3 | T140 E142 H155 R160 | T140-T158 HydrophobicContact CG2-CG2 4.13Å; E142-T158 VanDerWaalsContact OE1-CG2 3.28Å; E142-T158 WeakPolarHBondContact OE1-CG2 3.43Å; E142-T158 VanDerWaalsContact OE2-CA 3.28Å; E142-T158 WeakPolarHBondContact OE2-CA 3.28Å; E142-T158 WeakPolarHBondContact OE2-CB 3.35Å; E142-T158 WeakPolarHBondContact OE2-CG2 3.41Å; E142-T158 PolarHBondContact OE2-OG1 3.45Å; H155-T158 PolarHBondContact CE1-OG1 2.87Å; H155-T158 PolarHBondContact NE2-OG1 2.91Å; T158-R160 HydrophobicContact CG2-CG 4.25Å |
| 159 | I | 98.5 | Very high | 97.7 | Very high | 2 Ų | 2 | 55.9 Ų | 55.9 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 130.3 | -179.4 | -63 | 170.7 | 0 | 0 | 0 | 109 | T140 V141 K157 E176 F178 Y208 | T140-I159 WeakPolarHBondContact CA-O 3.43Å; V141-I159 HydrophobicContact CB-CB 4.18Å; V141-I159 PolarHBondContact N-O 3.37Å; V141-I159 WeakPolarHBondContact O-CB 3.25Å; V141-I159 PolarHBondContact O-N 3.26Å; K157-I159 HydrophobicContact CD-CG1 4.17Å; K157-I159 HydrophobicContact CG-CG1 4.16Å; I159-E176 HydrophobicContact CD1-CB 4.26Å; I159-F178 HydrophobicContact CD1-CE1 3.92Å; I159-F178 HydrophobicContact CG2-CE1 4.33Å; I159-F178 HydrophobicContact CG2-CZ 4.07Å; I159-Y208 HydrophobicContact CD1-CE1 4.06Å; I159-Y208 HydrophobicContact CG2-CD1 4.22Å; I159-Y208 HydrophobicContact CG2-CD2 4.14Å; I159-Y208 HydrophobicContact CG2-CE1 3.67Å; I159-Y208 HydrophobicContact CG2-CE2 3.55Å; I159-Y208 HydrophobicContact CG2-CG 4.46Å; I159-Y208 WeakPolarHBondContact CG2-OH 3.35Å |
| 160 | R | 97.5 | Very high | 97.8 | Very high | 146 Ų | 146 | 47.2 Ų | 47.2 | 55% | 0.551 | 22% | 0.22 | S | C | * | . | trans | -141.4 | 141.9 | 177.6 | -60.8 | -172.7 | 175.3 | 96 | 1.7 | 108.9 | T140 T158 | T140-R160 HydrophobicContact CG2-CG 3.8Å; T158-R160 HydrophobicContact CG2-CG 4.25Å | ||
| 161 | H | 98.1 | Very high | 97.9 | Very high | 66 Ų | 66 | 41.9 Ų | 41.9 | 31% | 0.306 | 20% | 0.196 | S | C | . | . | trans | -153.6 | 154.5 | 173.7 | -171.3 | -102.1 | 0 | 0 | 0 | 110.6 | L163 L164 Y208 V213 | H161-L163 WeakPolarHBondContact ND1-CB 3.3Å; H161-L163 PolarHBondContact ND1-N 3.06Å; H161-L163 VanDerWaalsContact ND1-N 3.18Å; H161-L163 PolarHBondContact O-N 3.3Å; H161-L163 VanDerWaalsContact O-N 3.1Å; H161-L164 HydrophobicContact CB-CD1 4.06Å; H161-L164 HydrophobicContact CB-CG 4.07Å; H161-L164 PolarHBondContact O-N 3.01Å; H161-Y208 HydrophobicContact CB-CD2 4.43Å; H161-Y208 HydrophobicContact CB-CE2 4.33Å; H161-V213 WeakPolarHBondContact ND1-CG1 3.09Å | ||
| 162 | K | 97.3 | Very high | 98 | Very high | 176 Ų | 176 | 37.2 Ų | 37.2 | 77% | 0.765 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -20.4 | 179.5 | 67.3 | 177 | -177.7 | 177.4 | 0 | 114.2 | ||
| 163 | L | 98.4 | Very high | 98 | Very high | 40 Ų | 40 | 38 Ų | 38 | 21% | 0.209 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | 3.1 | 177.1 | -60.1 | 179.5 | 0 | 0 | 0 | 112.6 | H161 P165 N182 Y204 V206 V213 V215 | H161-L163 WeakPolarHBondContact ND1-CB 3.3Å; H161-L163 PolarHBondContact ND1-N 3.06Å; H161-L163 VanDerWaalsContact ND1-N 3.18Å; H161-L163 PolarHBondContact O-N 3.3Å; H161-L163 VanDerWaalsContact O-N 3.1Å; L163-P165 WeakPolarHBondContact O-CD 3.47Å; L163-N182 PolarHBondContact O-ND2 2.87Å; L163-Y204 WeakPolarHBondContact O-CE2 3.15Å; L163-Y204 PolarHBondContact O-OH 3.43Å; L163-V206 HydrophobicContact CB-CG1 4.22Å; L163-V206 HydrophobicContact CB-CG2 4.05Å; L163-V206 WeakPolarHBondContact O-CG2 3.28Å; L163-V213 HydrophobicContact CB-CG1 4.47Å; L163-V213 HydrophobicContact CD1-CG1 4.2Å; L163-V215 HydrophobicContact CD1-CG2 4.44Å; L163-V215 HydrophobicContact CD2-CG2 4.4Å |
| 164 | L | 97.9 | Very high | 98 | Very high | 4 Ų | 4 | 38.2 Ų | 38.2 | 2% | 0.021 | 18% | 0.184 | C | C | . | . | trans | -117.7 | 50.5 | 176.5 | -51.1 | 177.3 | 0 | 0 | 0 | 111.3 | H161 L167 F178 A180 V206 Y208 | H161-L164 HydrophobicContact CB-CD1 4.06Å; H161-L164 HydrophobicContact CB-CG 4.07Å; H161-L164 PolarHBondContact O-N 3.01Å; L164-L167 HydrophobicContact CB-CD1 4.13Å; L164-L167 HydrophobicContact CB-CD2 3.87Å; L164-L167 HydrophobicContact CB-CG 4.04Å; L164-L167 HydrophobicContact CD2-CD2 3.85Å; L164-L167 HydrophobicContact CG-CD2 4.29Å; L164-F178 HydrophobicContact CD1-CE2 4.14Å; L164-F178 HydrophobicContact CD1-CZ 4.12Å; L164-A180 HydrophobicContact CD2-CB 4.05Å; L164-V206 HydrophobicContact CD2-CB 3.83Å; L164-V206 HydrophobicContact CD2-CG1 3.67Å; L164-V206 HydrophobicContact CD2-CG2 4.36Å; L164-Y208 HydrophobicContact CD1-CD2 4Å; L164-Y208 HydrophobicContact CD1-CG 4.5Å | ||
| 165 | P | 93.8 | Very high | 97.8 | Very high | 22 Ų | 22 | 37.1 Ų | 37.1 | 14% | 0.143 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -69.1 | -34.9 | -175.9 | 28.4 | -36.3 | 0 | 0 | 0 | 114.4 | S139 L163 N182 L187 Y204 | S139-P165 VanDerWaalsContact CB-O 3.23Å; S139-P165 WeakPolarHBondContact CB-O 3.34Å; L163-P165 WeakPolarHBondContact O-CD 3.47Å; P165-N182 WeakPolarHBondContact CD-OD1 3.1Å; P165-L187 HydrophobicContact CB-CD1 4.36Å; P165-L187 HydrophobicContact CB-CD2 3.34Å; P165-L187 HydrophobicContact CB-CG 3.8Å; P165-L187 WeakPolarHBondContact O-CD2 3.41Å; P165-Y204 WeakPolarHBondContact CD-OH 3.21Å; P165-Y204 VanDerWaalsContact CG-OH 3.25Å; P165-Y204 WeakPolarHBondContact CG-OH 3.07Å |
| 166 | N | 95.1 | Very high | 97.8 | Very high | 8 Ų | 8 | 38.8 Ų | 38.8 | 4% | 0.043 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -142.2 | 67.9 | -172.7 | -61.5 | -67.3 | 0 | 0 | 0 | 111 | N182 D183 H184 F186 | N166-N182 PolarHBondContact N-OD1 3.14Å; N166-N182 CarbonylContact O-C 3.59Å; N166-N182 WeakPolarHBondContact O-CA 3.44Å; N166-D183 PolarHBondContact O-N 2.66Å; N166-D183 VanDerWaalsContact O-N 3.08Å; N166-H184 HydrophobicContact CB-CB 4.44Å; N166-H184 PolarHBondContact ND2-O 2.9Å; N166-F186 VanDerWaalsContact ND2-C 3.32Å; N166-F186 PolarHBondContact ND2-O 3.03Å |
| 167 | L | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 136.8 | -177.5 | -63.6 | 170.1 | 0 | 0 | 0 | 111.8 | V132 H134 S139 V141 L164 A180 T181 | V132-L167 HydrophobicContact CB-CB 4.47Å; V132-L167 HydrophobicContact CG1-CB 3.52Å; V132-L167 HydrophobicContact CG1-CD1 4.44Å; V132-L167 HydrophobicContact CG2-CB 4.09Å; H134-L167 PolarHBondContact CE1-O 2.9Å; H134-L167 PolarHBondContact NE2-O 2.9Å; S139-L167 WeakPolarHBondContact OG-CB 3.4Å; S139-L167 WeakPolarHBondContact OG-CG 3.3Å; S139-L167 PolarHBondContact OG-N 3.03Å; V141-L167 HydrophobicContact CG2-CD1 3.43Å; V141-L167 VanDerWaalsContact CG2-CD1 3.43Å; L164-L167 HydrophobicContact CB-CD1 4.13Å; L164-L167 HydrophobicContact CB-CD2 3.87Å; L164-L167 HydrophobicContact CB-CG 4.04Å; L164-L167 HydrophobicContact CD2-CD2 3.85Å; L164-L167 HydrophobicContact CG-CD2 4.29Å; L167-A180 HydrophobicContact CD2-CB 3.62Å; L167-T181 CarbonylContact C-O 3.55Å; L167-T181 WeakPolarHBondContact CA-O 3.22Å |
| 168 | N | 98.8 | Very high | 97.9 | Very high | 4 Ų | 4 | 33.6 Ų | 33.6 | 2% | 0.021 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | -65.2 | 168.7 | -163.7 | -85.8 | 0 | 0 | 0 | 108.9 | H115 G116 T181 D183 N224 | H115-N168 PolarHBondContact CE1-ND2 3.38Å; H115-N168 PolarHBondContact ND1-O 3.11Å; G116-N168 PolarHBondContact N-O 2.68Å; N168-T181 PolarHBondContact N-O 3.33Å; N168-D183 HydrophobicContact CB-CB 3.98Å; N168-D183 PolarHBondContact ND2-OD2 2.97Å; N168-N224 PolarHBondContact ND2-ND2 3.28Å; N168-N224 WeakPolarHBondContact OD1-CA 3.38Å; N168-N224 PolarHBondContact OD1-ND2 2.89Å; N168-N224 PolarHBondContact OD1-OD1 3.3Å |
| 169 | D | 98.9 | Very high | 97.9 | Very high | 5 Ų | 5 | 31.6 Ų | 31.6 | 3% | 0.027 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 167.4 | -176.3 | -170.8 | 24.5 | 0 | 0 | 0 | 111.7 | G116 A180 T181 I226 | G116-D169 WeakPolarHBondContact CA-OD1 3.3Å; D169-A180 WeakPolarHBondContact O-CA 3.34Å; D169-T181 PolarHBondContact N-OG1 3.15Å; D169-T181 VanDerWaalsContact N-OG1 3.12Å; D169-T181 PolarHBondContact O-N 2.85Å; D169-T181 PolarHBondContact O-OG1 3.04Å; D169-I226 HydrophobicContact CB-CG2 4.28Å; D169-I226 PolarHBondContact OD2-N 2.57Å; D169-I226 VanDerWaalsContact OD2-N 3.12Å |
| 170 | I | 98.9 | Very high | 97.9 | Very high | 2 Ų | 2 | 31.5 Ų | 31.5 | 1% | 0.01 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 156.8 | 178.3 | 59.6 | 170.6 | 0 | 0 | 0 | 111.9 | S118 L130 V132 V141 F178 Y179 A180 | S118-I170 WeakPolarHBondContact CB-O 3.27Å; L130-I170 HydrophobicContact CB-CD1 3.28Å; L130-I170 HydrophobicContact CD2-CD1 4.09Å; L130-I170 HydrophobicContact CG-CD1 4.33Å; V132-I170 HydrophobicContact CG2-CG1 4.27Å; V132-I170 HydrophobicContact CG2-CG2 3.83Å; V141-I170 HydrophobicContact CG1-CD1 3.78Å; V141-I170 HydrophobicContact CG2-CG2 4.17Å; I170-F178 HydrophobicContact CB-CB 4.42Å; I170-F178 HydrophobicContact CB-CD2 4.22Å; I170-F178 HydrophobicContact CG2-CD2 3.79Å; I170-F178 HydrophobicContact CG2-CE2 4.13Å; I170-F178 HydrophobicContact CG2-CG 4.49Å; I170-Y179 CarbonylContact C-O 3.59Å; I170-Y179 WeakPolarHBondContact CA-O 3.05Å; I170-Y179 WeakPolarHBondContact CB-O 3.4Å; I170-A180 HydrophobicContact CG2-CB 3.71Å |
| 171 | V | 98.9 | Very high | 98 | Very high | 4 Ų | 4 | 24.6 Ų | 24.6 | 2% | 0.024 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 119.4 | 163.4 | 60.6 | 0 | 0 | 0 | 0 | 110 | F178 Y179 I226 I228 | V171-F178 WeakPolarHBondContact O-CA 3.36Å; V171-F178 VanDerWaalsContact O-CB 3.3Å; V171-F178 WeakPolarHBondContact O-CB 3.48Å; V171-Y179 HydrophobicContact CG1-CD2 4.21Å; V171-Y179 PolarHBondContact N-O 3.48Å; V171-Y179 PolarHBondContact O-N 3.41Å; V171-I226 HydrophobicContact CB-CG2 4.49Å; V171-I226 HydrophobicContact CG1-CD1 4.27Å; V171-I226 HydrophobicContact CG1-CG1 3.89Å; V171-I226 HydrophobicContact CG1-CG2 4.38Å; V171-I228 HydrophobicContact CG2-CB 3.93Å; V171-I228 HydrophobicContact CG2-CG2 3.68Å |
| 172 | A | 98.9 | Very high | 98 | Very high | 10 Ų | 10 | 21.4 Ų | 21.4 | 8% | 0.083 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 135.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | S118 F120 L130 | S118-A172 PolarHBondContact OG-N 2.78Å; F120-A172 HydrophobicContact CB-CB 3.96Å; L130-A172 HydrophobicContact CD1-CB 3.9Å; L130-A172 HydrophobicContact CD2-CB 4.28Å |
| 173 | V | 98.6 | Very high | 98.1 | Very high | 29 Ų | 29 | 13.1 Ų | 13.1 | 18% | 0.176 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 15.7 | 174.8 | -61.6 | 0 | 0 | 0 | 0 | 111.6 | H177 Y179 Y207 I228 W254 | V173-H177 HydrophobicContact CG2-CB 3.85Å; V173-H177 PolarHBondContact N-O 3.31Å; V173-Y179 HydrophobicContact CG1-CD2 4.18Å; V173-Y179 HydrophobicContact CG1-CE2 4.09Å; V173-Y179 HydrophobicContact CG2-CE2 4.47Å; V173-Y207 HydrophobicContact CG2-CE2 4.15Å; V173-I228 HydrophobicContact CG1-CD1 3.82Å; V173-W254 HydrophobicContact CB-CZ3 4Å; V173-W254 HydrophobicContact CG2-CE3 4.2Å; V173-W254 HydrophobicContact CG2-CH2 4.42Å; V173-W254 HydrophobicContact CG2-CZ3 3.74Å |
| 174 | G | 97.9 | Very high | 98 | Very high | 4 Ų | 4 | 11.8 Ų | 11.8 | 4% | 0.041 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 171.2 | 172.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | E176 H177 | G174-E176 PolarHBondContact O-N 2.89Å; G174-E176 VanDerWaalsContact O-N 3.15Å; G174-H177 PolarHBondContact N-O 2.57Å; G174-H177 PolarHBondContact O-N 2.91Å |
| 175 | P | 96.3 | Very high | 98 | Very high | 34 Ų | 34 | 17.6 Ų | 17.6 | 22% | 0.221 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -32.5 | -174.9 | -25.5 | 35 | 0 | 0 | 0 | 113.7 | F120 Y128 L143 | F120-P175 HydrophobicContact CD1-CG 3.91Å; F120-P175 VanDerWaalsContact CE1-CD 3.5Å; F120-P175 HydrophobicContact CE1-CG 3.81Å; Y128-P175 HydrophobicContact CD1-CB 4.37Å; Y128-P175 HydrophobicContact CD2-CB 4.02Å; Y128-P175 HydrophobicContact CD2-CG 4.18Å; Y128-P175 HydrophobicContact CE1-CB 4.35Å; Y128-P175 HydrophobicContact CE2-CB 3.99Å; Y128-P175 HydrophobicContact CE2-CG 3.96Å; Y128-P175 HydrophobicContact CG-CB 4.2Å; L143-P175 WeakPolarHBondContact CD1-O 3.42Å; L143-P175 WeakPolarHBondContact CD2-O 3.48Å |
| 176 | E | 97.4 | Very high | 98 | Very high | 56 Ų | 56 | 19.4 Ų | 19.4 | 26% | 0.262 | 9% | 0.094 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -135.2 | 33.6 | 174.6 | 56 | 176.6 | 179.5 | 0 | 0 | 112.3 | L143 K157 I159 G174 Y208 P210 | L143-E176 HydrophobicContact CD2-CB 4.28Å; K157-E176 IonicContact NZ-OE2 2.77Å; K157-E176 PolarHBondContact NZ-OE2 2.68Å; I159-E176 HydrophobicContact CD1-CB 4.26Å; G174-E176 PolarHBondContact O-N 2.89Å; G174-E176 VanDerWaalsContact O-N 3.15Å; E176-Y208 WeakPolarHBondContact O-CE1 3.21Å; E176-P210 HydrophobicContact CB-CG 4.5Å; E176-P210 HydrophobicContact CG-CG 3.55Å; E176-P210 WeakPolarHBondContact OE1-CG 3.31Å |
| 177 | H | 98.7 | Very high | 97.9 | Very high | 52 Ų | 52 | 24 Ų | 24 | 24% | 0.241 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 129.6 | 179.2 | -56.1 | 74.4 | 0 | 0 | 0 | 109.1 | V173 G174 Y208 S209 | V173-H177 HydrophobicContact CG2-CB 3.85Å; V173-H177 PolarHBondContact N-O 3.31Å; G174-H177 PolarHBondContact N-O 2.57Å; G174-H177 PolarHBondContact O-N 2.91Å; H177-Y208 WeakPolarHBondContact CA-O 3.45Å; H177-S209 WeakPolarHBondContact CD2-CB 3.47Å |
| 178 | F | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.5 | 158.6 | -177.1 | 52.9 | -93.3 | 0 | 0 | 0 | 112 | L130 V141 I159 L164 I170 V171 A180 Y208 | L130-F178 HydrophobicContact CD2-CB 4.37Å; L130-F178 HydrophobicContact CD2-CD1 3.53Å; L130-F178 HydrophobicContact CD2-CE1 4.19Å; L130-F178 HydrophobicContact CD2-CG 4.25Å; V141-F178 HydrophobicContact CB-CE1 4.34Å; V141-F178 HydrophobicContact CB-CZ 4.04Å; V141-F178 HydrophobicContact CG1-CE1 4.16Å; V141-F178 HydrophobicContact CG1-CZ 4.29Å; V141-F178 HydrophobicContact CG2-CE1 4.37Å; V141-F178 HydrophobicContact CG2-CE2 3.91Å; V141-F178 HydrophobicContact CG2-CZ 3.67Å; I159-F178 HydrophobicContact CD1-CE1 3.92Å; I159-F178 HydrophobicContact CG2-CE1 4.33Å; I159-F178 HydrophobicContact CG2-CZ 4.07Å; L164-F178 HydrophobicContact CD1-CE2 4.14Å; L164-F178 HydrophobicContact CD1-CZ 4.12Å; I170-F178 HydrophobicContact CB-CB 4.42Å; I170-F178 HydrophobicContact CB-CD2 4.22Å; I170-F178 HydrophobicContact CG2-CD2 3.79Å; I170-F178 HydrophobicContact CG2-CE2 4.13Å; I170-F178 HydrophobicContact CG2-CG 4.49Å; V171-F178 WeakPolarHBondContact O-CA 3.36Å; V171-F178 VanDerWaalsContact O-CB 3.3Å; V171-F178 WeakPolarHBondContact O-CB 3.48Å; F178-A180 HydrophobicContact CD2-CB 3.9Å; F178-A180 HydrophobicContact CE2-CB 3.94Å; F178-Y208 HydrophobicContact CD1-CD1 4.02Å; F178-Y208 AromaticContact CE1-CD1 3.34Å; F178-Y208 HydrophobicContact CE1-CD1 3.34Å; F178-Y208 HydrophobicContact CE1-CE1 4.03Å; F178-Y208 AromaticContact CE1-CG 3.87Å; F178-Y208 HydrophobicContact CE1-CG 3.87Å; F178-Y208 HydrophobicContact CE2-CD1 4.36Å; F178-Y208 HydrophobicContact CE2-CG 4.05Å; F178-Y208 AromaticContact CZ-CD1 3.54Å; F178-Y208 HydrophobicContact CZ-CD1 3.54Å; F178-Y208 HydrophobicContact CZ-CD2 4.32Å; F178-Y208 HydrophobicContact CZ-CE1 4.34Å; F178-Y208 AromaticContact CZ-CG 3.55Å; F178-Y208 HydrophobicContact CZ-CG 3.55Å; F178-Y208 PolarHBondContact N-O 3.47Å; F178-Y208 VanDerWaalsContact N-O 3.08Å; F178-Y208 PolarHBondContact O-N 2.88Å |
| 179 | Y | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 147.5 | 157.1 | -62 | -88.4 | 0 | 0 | 0 | 109 | I170 V171 V173 V206 Y207 V216 V235 K250 W254 L256 | I170-Y179 CarbonylContact C-O 3.59Å; I170-Y179 WeakPolarHBondContact CA-O 3.05Å; I170-Y179 WeakPolarHBondContact CB-O 3.4Å; V171-Y179 HydrophobicContact CG1-CD2 4.21Å; V171-Y179 PolarHBondContact N-O 3.48Å; V171-Y179 PolarHBondContact O-N 3.41Å; V173-Y179 HydrophobicContact CG1-CD2 4.18Å; V173-Y179 HydrophobicContact CG1-CE2 4.09Å; V173-Y179 HydrophobicContact CG2-CE2 4.47Å; Y179-V206 CarbonylContact C-O 3.59Å; Y179-V206 VanDerWaalsContact CA-O 3.27Å; Y179-V206 WeakPolarHBondContact CA-O 3.35Å; Y179-Y207 HydrophobicContact CD1-CD2 4.05Å; Y179-Y207 HydrophobicContact CD1-CG 4.46Å; Y179-Y207 HydrophobicContact CD2-CD2 4.48Å; Y179-Y207 AromaticContact CE1-CD2 3.71Å; Y179-Y207 HydrophobicContact CE1-CD2 3.71Å; Y179-Y207 HydrophobicContact CE1-CG 4.09Å; Y179-Y207 HydrophobicContact CE2-CD2 4.16Å; Y179-Y207 HydrophobicContact CG-CD2 4.43Å; Y179-Y207 AromaticContact CZ-CD2 3.77Å; Y179-V216 HydrophobicContact CD1-CG2 3.9Å; Y179-V216 HydrophobicContact CE1-CG2 4.13Å; Y179-V235 HydrophobicContact CD2-CG2 4.28Å; Y179-V235 HydrophobicContact CE2-CG2 4.22Å; Y179-K250 HydrophobicContact CE2-CD 3.91Å; Y179-K250 WeakPolarHBondContact OH-CG 3.24Å; Y179-W254 VanDerWaalsContact OH-CA 3.3Å; Y179-W254 WeakPolarHBondContact OH-CA 3.02Å; Y179-W254 PolarHBondContact OH-O 3.15Å; Y179-L256 HydrophobicContact CD1-CD1 4.16Å; Y179-L256 HydrophobicContact CE1-CD1 4.13Å; Y179-L256 HydrophobicContact CE1-CD2 3.95Å; Y179-L256 HydrophobicContact CE1-CG 3.98Å |
| 180 | A | 98.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 137 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | L164 L167 D169 I170 F178 V205 V206 | L164-A180 HydrophobicContact CD2-CB 4.05Å; L167-A180 HydrophobicContact CD2-CB 3.62Å; D169-A180 WeakPolarHBondContact O-CA 3.34Å; I170-A180 HydrophobicContact CG2-CB 3.71Å; F178-A180 HydrophobicContact CD2-CB 3.9Å; F178-A180 HydrophobicContact CE2-CB 3.94Å; A180-V205 CarbonylContact O-C 3.17Å; A180-V205 VanDerWaalsContact O-CA 3.26Å; A180-V205 WeakPolarHBondContact O-CA 3.36Å; A180-V205 WeakPolarHBondContact O-CG1 3.26Å; A180-V206 PolarHBondContact N-O 3.4Å; A180-V206 PolarHBondContact O-N 3.28Å |
| 181 | T | 98.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 132.6 | 170.5 | 48.2 | 0 | 0 | 0 | 0 | 109.7 | L167 N168 D169 V205 A223 N224 I226 V237 | L167-T181 CarbonylContact C-O 3.55Å; L167-T181 WeakPolarHBondContact CA-O 3.22Å; N168-T181 PolarHBondContact N-O 3.33Å; D169-T181 PolarHBondContact N-OG1 3.15Å; D169-T181 VanDerWaalsContact N-OG1 3.12Å; D169-T181 PolarHBondContact O-N 2.85Å; D169-T181 PolarHBondContact O-OG1 3.04Å; T181-V205 HydrophobicContact CG2-CG2 4.17Å; T181-A223 HydrophobicContact CG2-CB 3.9Å; T181-N224 VanDerWaalsContact CB-O 3.27Å; T181-N224 WeakPolarHBondContact CB-O 3.48Å; T181-N224 VanDerWaalsContact CG2-O 3.25Å; T181-N224 WeakPolarHBondContact CG2-O 3.4Å; T181-N224 PolarHBondContact OG1-O 3.09Å; T181-I226 HydrophobicContact CG2-CB 3.85Å; T181-I226 HydrophobicContact CG2-CD1 4.17Å; T181-I226 HydrophobicContact CG2-CG2 4.15Å; T181-V237 HydrophobicContact CG2-CG1 3.99Å |
| 182 | N | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 111.5 | 163.7 | -71.6 | -89.6 | 0 | 0 | 0 | 108.5 | L163 P165 N166 H184 S203 Y204 | L163-N182 PolarHBondContact O-ND2 2.87Å; P165-N182 WeakPolarHBondContact CD-OD1 3.1Å; N166-N182 PolarHBondContact N-OD1 3.14Å; N166-N182 CarbonylContact O-C 3.59Å; N166-N182 WeakPolarHBondContact O-CA 3.44Å; N182-H184 PolarHBondContact O-N 3.02Å; N182-S203 VanDerWaalsContact O-CB 3.3Å; N182-S203 WeakPolarHBondContact O-CB 3.37Å; N182-S203 PolarHBondContact O-OG 2.74Å; N182-Y204 HydrophobicContact CB-CD1 4.2Å; N182-Y204 HydrophobicContact CB-CE1 3.91Å; N182-Y204 HydrophobicContact CB-CE2 4.37Å; N182-Y204 PolarHBondContact N-O 3.28Å; N182-Y204 WeakPolarHBondContact ND2-CE2 3.4Å; N182-Y204 PolarHBondContact O-N 2.98Å |
| 183 | D | 97.9 | Very high | 96.2 | Very high | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.011 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -66.8 | -23.6 | -175.6 | 53.7 | 30.6 | 0 | 0 | 0 | 113.4 | Y71 N166 N168 S203 F222 A223 | Y71-D183 PolarHBondContact OH-OD1 3.04Å; Y71-D183 PolarHBondContact OH-OD2 2.61Å; N166-D183 PolarHBondContact O-N 2.66Å; N166-D183 VanDerWaalsContact O-N 3.08Å; N168-D183 HydrophobicContact CB-CB 3.98Å; N168-D183 PolarHBondContact ND2-OD2 2.97Å; D183-S203 WeakPolarHBondContact O-CB 3.31Å; D183-F222 HydrophobicContact CB-CD1 3.79Å; D183-F222 HydrophobicContact CB-CE1 3.66Å; D183-F222 HydrophobicContact CB-CG 4.39Å; D183-F222 HydrophobicContact CB-CZ 4.18Å; D183-A223 WeakPolarHBondContact CA-O 3.45Å |
| 184 | H | 97.9 | Very high | 96.1 | Very high | 11 Ų | 11 | 48.1 Ų | 48.1 | 5% | 0.051 | 23% | 0.232 | C | C | . | . | trans | -138.5 | 151.8 | 177.3 | -63.7 | 80.7 | 0 | 0 | 0 | 112 | N166 N182 R192 E195 F222 | N166-H184 HydrophobicContact CB-CB 4.44Å; N166-H184 PolarHBondContact ND2-O 2.9Å; N182-H184 PolarHBondContact O-N 3.02Å; H184-R192 HydrophobicContact CB-CG 3.72Å; H184-E195 IonicContact CD2-OE2 3.15Å; H184-F222 AromaticContact CE1-CD2 3.81Å; H184-F222 AromaticContact CE1-CE2 3.35Å; H184-F222 WeakPolarHBondContact CE1-CE2 3.32Å; H184-F222 AromaticContact CE1-CZ 3.9Å; H184-F222 AromaticContact NE2-CE2 3.9Å | ||
| 185 | Y | 97 | Very high | 96 | Very high | 127 Ų | 127 | 48.3 Ų | 48.3 | 50% | 0.498 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -76.7 | -44.1 | 169.9 | -178.3 | -93.4 | 0 | 0 | 0 | 112.4 | E195 W202 Y204 | Y185-E195 WeakPolarHBondContact CB-OE1 3.25Å; Y185-E195 PolarHBondContact N-OE1 2.75Å; Y185-E195 PolarHBondContact N-OE2 3.08Å; Y185-E195 VanDerWaalsContact N-OE2 3.17Å; Y185-W202 HydrophobicContact CD1-CE3 4.16Å; Y185-W202 HydrophobicContact CG-CB 4.35Å; Y185-W202 HydrophobicContact CG-CE3 4.34Å; Y185-Y204 HydrophobicContact CD2-CE1 4.18Å |
| 186 | F | 94.6 | Very high | 96 | Very high | 59 Ų | 59 | 48.1 Ų | 48.1 | 26% | 0.259 | 23% | 0.229 | S | C | . | . | trans | -82.5 | 141.4 | -175.8 | -69.7 | -69.5 | 0 | 0 | 0 | 112.9 | N166 L191 R192 E195 L200 W202 | N166-F186 VanDerWaalsContact ND2-C 3.32Å; N166-F186 PolarHBondContact ND2-O 3.03Å; F186-L191 HydrophobicContact CB-CB 3.67Å; F186-L191 HydrophobicContact CD1-CB 4.25Å; F186-L191 HydrophobicContact CD1-CD1 3.8Å; F186-L191 HydrophobicContact CD2-CB 4.12Å; F186-L191 HydrophobicContact CE1-CD1 4.22Å; F186-L191 HydrophobicContact CG-CB 3.76Å; F186-L191 HydrophobicContact CG-CD1 4.2Å; F186-R192 HydrophobicContact CB-CG 4.36Å; F186-R192 WeakPolarHBondContact O-CD 3.38Å; F186-R192 WeakPolarHBondContact O-CG 3.37Å; F186-E195 HydrophobicContact CD2-CB 4.14Å; F186-E195 HydrophobicContact CD2-CG 4.47Å; F186-E195 WeakPolarHBondContact CD2-OE2 3.27Å; F186-E195 PolarHBondContact N-OE2 3.01Å; F186-L200 HydrophobicContact CE2-CD1 4.45Å; F186-W202 AromaticContact CE2-CE3 3.98Å; F186-W202 HydrophobicContact CE2-CE3 3.98Å; F186-W202 AromaticContact CE2-CZ3 3.69Å; F186-W202 HydrophobicContact CE2-CZ3 3.69Å; F186-W202 HydrophobicContact CZ-CE3 4.35Å; F186-W202 AromaticContact CZ-CZ3 3.75Å; F186-W202 HydrophobicContact CZ-CZ3 3.75Å | ||
| 187 | L | 91.7 | Very high | 95.9 | Very high | 104 Ų | 104 | 49 Ų | 49 | 55% | 0.545 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -78.4 | -41.6 | 175.7 | -75.8 | 167.9 | 0 | 0 | 0 | 112.8 | P165 R192 | P165-L187 HydrophobicContact CB-CD1 4.36Å; P165-L187 HydrophobicContact CB-CD2 3.34Å; P165-L187 HydrophobicContact CB-CG 3.8Å; P165-L187 WeakPolarHBondContact O-CD2 3.41Å; L187-R192 PolarHBondContact O-NE 2.92Å; L187-R192 PolarHBondContact O-NH2 2.82Å |
| 188 | D | 91.4 | Very high | 95.8 | Very high | 79 Ų | 79 | 50.6 Ų | 50.6 | 42% | 0.422 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -64.4 | 124.7 | -175.5 | 176.6 | -90.4 | 0 | 0 | 0 | 110.6 | Y190 L191 R192 | D188-Y190 PolarHBondContact O-N 2.88Å; D188-Y190 VanDerWaalsContact O-N 3.17Å; D188-Y190 WeakPolarHBondContact OD1-CA 3.46Å; D188-Y190 WeakPolarHBondContact OD1-CB 3.21Å; D188-Y190 PolarHBondContact OD1-N 3.37Å; D188-L191 HydrophobicContact CB-CB 4.17Å; D188-L191 HydrophobicContact CB-CD1 4.12Å; D188-L191 HydrophobicContact CB-CG 4.07Å; D188-L191 PolarHBondContact O-N 3.39Å; D188-L191 VanDerWaalsContact O-N 3.1Å; D188-L191 PolarHBondContact OD1-N 3.34Å; D188-R192 WeakPolarHBondContact O-CG 3.46Å; D188-R192 PolarHBondContact O-N 3.19Å |
| 189 | P | 90.5 | Very high | 95.7 | Very high | 57 Ų | 57 | 52 Ų | 52 | 37% | 0.37 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -57.5 | -31.1 | -176.8 | -24.2 | 31.5 | 0 | 0 | 0 | 114.4 | P72 S193 | P72-P189 HydrophobicContact CB-CB 4.49Å; P189-S193 PolarHBondContact O-N 2.88Å; P189-S193 PolarHBondContact O-OG 2.85Å |
| 190 | Y | 91.9 | Very high | 95.7 | Very high | 153 Ų | 153 | 54.8 Ų | 54.8 | 60% | 0.6 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -72.9 | -43.1 | 177.9 | 177.8 | -96 | 0 | 0 | 0 | 110.7 | D188 S193 W194 | D188-Y190 PolarHBondContact O-N 2.88Å; D188-Y190 VanDerWaalsContact O-N 3.17Å; D188-Y190 WeakPolarHBondContact OD1-CA 3.46Å; D188-Y190 WeakPolarHBondContact OD1-CB 3.21Å; D188-Y190 PolarHBondContact OD1-N 3.37Å; Y190-S193 WeakPolarHBondContact O-CB 3.33Å; Y190-S193 PolarHBondContact O-N 2.97Å; Y190-W194 AromaticContact CD1-CD1 3.81Å; Y190-W194 AromaticContact CE1-CD1 3.46Å; Y190-W194 VanDerWaalsContact CE1-CD1 3.46Å; Y190-W194 AromaticContact CE1-NE1 3.3Å; Y190-W194 VanDerWaalsContact CE1-NE1 3.3Å; Y190-W194 AromaticContact CE2-NE1 3.57Å; Y190-W194 AromaticContact CZ-CD1 3.65Å; Y190-W194 AromaticContact CZ-NE1 3.02Å; Y190-W194 VanDerWaalsContact O-CD1 3.28Å; Y190-W194 PolarHBondContact O-N 3.23Å; Y190-W194 VanDerWaalsContact O-N 3.14Å; Y190-W194 PolarHBondContact OH-NE1 3.47Å |
| 191 | L | 95.3 | Very high | 95.6 | Very high | 74 Ų | 74 | 56.1 Ų | 56.1 | 39% | 0.387 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.5 | -37.4 | 173.2 | -64.5 | -176.8 | 0 | 0 | 0 | 112.6 | F186 D188 W194 E195 | F186-L191 HydrophobicContact CB-CB 3.67Å; F186-L191 HydrophobicContact CD1-CB 4.25Å; F186-L191 HydrophobicContact CD1-CD1 3.8Å; F186-L191 HydrophobicContact CD2-CB 4.12Å; F186-L191 HydrophobicContact CE1-CD1 4.22Å; F186-L191 HydrophobicContact CG-CB 3.76Å; F186-L191 HydrophobicContact CG-CD1 4.2Å; D188-L191 HydrophobicContact CB-CB 4.17Å; D188-L191 HydrophobicContact CB-CD1 4.12Å; D188-L191 HydrophobicContact CB-CG 4.07Å; D188-L191 PolarHBondContact O-N 3.39Å; D188-L191 VanDerWaalsContact O-N 3.1Å; D188-L191 PolarHBondContact OD1-N 3.34Å; L191-W194 PolarHBondContact O-N 2.04Å; L191-E195 WeakPolarHBondContact O-CB 3.42Å; L191-E195 PolarHBondContact O-N 3.3Å |
| 192 | R | 94.5 | Very high | 95.6 | Very high | 17 Ų | 17 | 62 Ų | 62 | 6% | 0.064 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59.1 | -46 | 172.1 | -73.9 | -169.1 | -83.5 | 166.2 | -9.8 | 112.3 | Y71 H184 F186 L187 D188 W194 E195 M196 | Y71-R192 PolarHBondContact OH-NH1 3.19Å; H184-R192 HydrophobicContact CB-CG 3.72Å; F186-R192 HydrophobicContact CB-CG 4.36Å; F186-R192 WeakPolarHBondContact O-CD 3.38Å; F186-R192 WeakPolarHBondContact O-CG 3.37Å; L187-R192 PolarHBondContact O-NE 2.92Å; L187-R192 PolarHBondContact O-NH2 2.82Å; D188-R192 WeakPolarHBondContact O-CG 3.46Å; D188-R192 PolarHBondContact O-N 3.19Å; R192-W194 VanDerWaalsContact C-N 3.25Å; R192-W194 PolarHBondContact O-N 2.95Å; R192-E195 WeakPolarHBondContact O-CB 3.03Å; R192-E195 PolarHBondContact O-N 3.02Å; R192-E195 VanDerWaalsContact O-N 3.16Å; R192-M196 WeakPolarHBondContact O-CB 3.32Å; R192-M196 PolarHBondContact O-N 3.4Å |
| 193 | S | 93.9 | Very high | 95.6 | Very high | 70 Ų | 70 | 62 Ų | 62 | 49% | 0.49 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -58.3 | -40.1 | 176.8 | -57.1 | 0 | 0 | 0 | 0 | 111.7 | P189 Y190 Y197 | P189-S193 PolarHBondContact O-N 2.88Å; P189-S193 PolarHBondContact O-OG 2.85Å; Y190-S193 WeakPolarHBondContact O-CB 3.33Å; Y190-S193 PolarHBondContact O-N 2.97Å; S193-Y197 WeakPolarHBondContact O-CB 3.19Å; S193-Y197 PolarHBondContact O-N 3.45Å |
| 194 | W | 96.1 | Very high | 95.6 | Very high | 111 Ų | 111 | 62.8 Ų | 62.8 | 42% | 0.42 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -72.4 | -39.2 | 175 | -81.3 | 106.6 | 0 | 0 | 0 | 113.4 | Y190 L191 R192 M196 Y197 L198 | Y190-W194 AromaticContact CD1-CD1 3.81Å; Y190-W194 AromaticContact CE1-CD1 3.46Å; Y190-W194 VanDerWaalsContact CE1-CD1 3.46Å; Y190-W194 AromaticContact CE1-NE1 3.3Å; Y190-W194 VanDerWaalsContact CE1-NE1 3.3Å; Y190-W194 AromaticContact CE2-NE1 3.57Å; Y190-W194 AromaticContact CZ-CD1 3.65Å; Y190-W194 AromaticContact CZ-NE1 3.02Å; Y190-W194 VanDerWaalsContact O-CD1 3.28Å; Y190-W194 PolarHBondContact O-N 3.23Å; Y190-W194 VanDerWaalsContact O-N 3.14Å; Y190-W194 PolarHBondContact OH-NE1 3.47Å; L191-W194 PolarHBondContact O-N 2.04Å; R192-W194 VanDerWaalsContact C-N 3.25Å; R192-W194 PolarHBondContact O-N 2.95Å; W194-M196 VanDerWaalsContact C-N 3.32Å; W194-M196 PolarHBondContact O-N 2.68Å; W194-Y197 AromaticContact CE3-CD1 3.87Å; W194-Y197 HydrophobicContact CE3-CD1 3.87Å; W194-Y197 AromaticContact CZ3-CD1 3.73Å; W194-Y197 HydrophobicContact CZ3-CD1 3.73Å; W194-Y197 AromaticContact CZ3-CE1 3.99Å; W194-Y197 HydrophobicContact CZ3-CE1 3.99Å; W194-Y197 PolarHBondContact O-N 3.05Å; W194-L198 HydrophobicContact CE3-CD1 4.25Å; W194-L198 HydrophobicContact CE3-CD2 4.41Å; W194-L198 HydrophobicContact CE3-CG 4.14Å; W194-L198 VanDerWaalsContact O-CB 3.23Å; W194-L198 WeakPolarHBondContact O-CB 3.44Å; W194-L198 WeakPolarHBondContact O-CG 3.41Å; W194-L198 PolarHBondContact O-N 3.46Å |
| 195 | E | 97 | Very high | 95.7 | Very high | 8 Ų | 8 | 62.2 Ų | 62.2 | 4% | 0.037 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -56.2 | -48.8 | 174.4 | 179.4 | 179.4 | 176 | 0 | 0 | 110.6 | H184 Y185 F186 L191 R192 G199 L200 | H184-E195 IonicContact CD2-OE2 3.15Å; Y185-E195 WeakPolarHBondContact CB-OE1 3.25Å; Y185-E195 PolarHBondContact N-OE1 2.75Å; Y185-E195 PolarHBondContact N-OE2 3.08Å; Y185-E195 VanDerWaalsContact N-OE2 3.17Å; F186-E195 HydrophobicContact CD2-CB 4.14Å; F186-E195 HydrophobicContact CD2-CG 4.47Å; F186-E195 WeakPolarHBondContact CD2-OE2 3.27Å; F186-E195 PolarHBondContact N-OE2 3.01Å; L191-E195 WeakPolarHBondContact O-CB 3.42Å; L191-E195 PolarHBondContact O-N 3.3Å; R192-E195 WeakPolarHBondContact O-CB 3.03Å; R192-E195 PolarHBondContact O-N 3.02Å; R192-E195 VanDerWaalsContact O-N 3.16Å; E195-G199 PolarHBondContact O-N 3.03Å; E195-G199 VanDerWaalsContact O-N 3.09Å; E195-L200 HydrophobicContact CB-CD1 4.34Å; E195-L200 HydrophobicContact CG-CB 4.19Å; E195-L200 HydrophobicContact CG-CD1 4.23Å; E195-L200 HydrophobicContact CG-CG 4.46Å; E195-L200 PolarHBondContact O-N 3.38Å |
| 196 | M | 95.9 | Very high | 95.8 | Very high | 30 Ų | 30 | 56.2 Ų | 56.2 | 15% | 0.148 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.2 | -51 | 175.7 | -171.9 | -176.7 | 75.1 | 0 | 0 | 111.4 | R27 R192 W194 L198 G199 F222 L241 F292 | R27-M196 VanDerWaalsContact CZ-O 3.25Å; R27-M196 PolarHBondContact NH1-O 2.93Å; R27-M196 PolarHBondContact NH2-O 3.3Å; R192-M196 WeakPolarHBondContact O-CB 3.32Å; R192-M196 PolarHBondContact O-N 3.4Å; W194-M196 VanDerWaalsContact C-N 3.32Å; W194-M196 PolarHBondContact O-N 2.68Å; M196-L198 PolarHBondContact O-N 3.17Å; M196-G199 PolarHBondContact O-N 3.44Å; M196-F222 HydrophobicContact SD-CD2 4.43Å; M196-F222 HydrophobicContact SD-CE2 4.23Å; M196-L241 HydrophobicContact CG-CD1 3.67Å; M196-L241 HydrophobicContact SD-CD1 4.35Å; M196-F292 HydrophobicContact SD-CE1 4.3Å; M196-F292 HydrophobicContact SD-CZ 4.46Å |
| 197 | Y | 95.7 | Very high | 96 | Very high | 76 Ų | 76 | 53.6 Ų | 53.6 | 30% | 0.298 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -58.6 | -48.8 | -178.9 | 175.8 | -107.2 | 0 | 0 | 0 | 112 | H20 Y24 R27 S193 W194 G199 | H20-Y197 AromaticContact CD2-CZ 3.82Å; H20-Y197 PolarHBondContact CE1-O 3.16Å; H20-Y197 AromaticContact NE2-CD1 3.86Å; H20-Y197 AromaticContact NE2-CE1 3.34Å; H20-Y197 VanDerWaalsContact NE2-CE1 3.34Å; H20-Y197 WeakPolarHBondContact NE2-CE1 3.3Å; H20-Y197 AromaticContact NE2-CE2 3.73Å; H20-Y197 AromaticContact NE2-CZ 3.26Å; H20-Y197 VanDerWaalsContact NE2-CZ 3.26Å; Y24-Y197 AromaticContact CD2-CD2 3.92Å; Y24-Y197 HydrophobicContact CD2-CD2 3.92Å; Y24-Y197 HydrophobicContact CD2-CE2 4.38Å; Y24-Y197 AromaticContact CE2-CD2 3.67Å; Y24-Y197 HydrophobicContact CE2-CD2 3.67Å; Y24-Y197 HydrophobicContact CE2-CE2 4.4Å; Y24-Y197 HydrophobicContact CG-CD2 4.5Å; R27-Y197 PolarHBondContact NH1-O 2.63Å; S193-Y197 WeakPolarHBondContact O-CB 3.19Å; S193-Y197 PolarHBondContact O-N 3.45Å; W194-Y197 AromaticContact CE3-CD1 3.87Å; W194-Y197 HydrophobicContact CE3-CD1 3.87Å; W194-Y197 AromaticContact CZ3-CD1 3.73Å; W194-Y197 HydrophobicContact CZ3-CD1 3.73Å; W194-Y197 AromaticContact CZ3-CE1 3.99Å; W194-Y197 HydrophobicContact CZ3-CE1 3.99Å; W194-Y197 PolarHBondContact O-N 3.05Å; Y197-G199 PolarHBondContact O-N 3.49Å |
| 198 | L | 96.3 | Very high | 96.3 | Very high | 85 Ų | 85 | 49.6 Ų | 49.6 | 45% | 0.445 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -70.4 | -18.2 | -178.6 | -65.9 | 172.6 | 0 | 0 | 0 | 113.3 | W194 M196 L200 | W194-L198 HydrophobicContact CE3-CD1 4.25Å; W194-L198 HydrophobicContact CE3-CD2 4.41Å; W194-L198 HydrophobicContact CE3-CG 4.14Å; W194-L198 VanDerWaalsContact O-CB 3.23Å; W194-L198 WeakPolarHBondContact O-CB 3.44Å; W194-L198 WeakPolarHBondContact O-CG 3.41Å; W194-L198 PolarHBondContact O-N 3.46Å; M196-L198 PolarHBondContact O-N 3.17Å; L198-L200 HydrophobicContact CB-CD2 3.82Å; L198-L200 HydrophobicContact CB-CG 4.06Å; L198-L200 HydrophobicContact CD1-CD2 4.41Å |
| 199 | G | 96.9 | Very high | 96.7 | Very high | 29 Ų | 29 | 46 Ų | 46 | 30% | 0.299 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.9 | 46.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112 | R27 E195 M196 Y197 A201 | R27-G199 VanDerWaalsContact CZ-CA 3.41Å; R27-G199 VanDerWaalsContact NH1-CA 3.3Å; E195-G199 PolarHBondContact O-N 3.03Å; E195-G199 VanDerWaalsContact O-N 3.09Å; M196-G199 PolarHBondContact O-N 3.44Å; Y197-G199 PolarHBondContact O-N 3.49Å; G199-A201 PolarHBondContact O-N 2.53Å |
| 200 | L | 97.8 | Very high | 97 | Very high | 58 Ų | 58 | 46.4 Ų | 46.4 | 30% | 0.304 | 23% | 0.229 | S | C | . | . | trans | -67.4 | -25.1 | -177.9 | -59.3 | -173.6 | 0 | 0 | 0 | 112.7 | F186 E195 L198 W202 | F186-L200 HydrophobicContact CE2-CD1 4.45Å; E195-L200 HydrophobicContact CB-CD1 4.34Å; E195-L200 HydrophobicContact CG-CB 4.19Å; E195-L200 HydrophobicContact CG-CD1 4.23Å; E195-L200 HydrophobicContact CG-CG 4.46Å; E195-L200 PolarHBondContact O-N 3.38Å; L198-L200 HydrophobicContact CB-CD2 3.82Å; L198-L200 HydrophobicContact CB-CG 4.06Å; L198-L200 HydrophobicContact CD1-CD2 4.41Å; L200-W202 HydrophobicContact CB-CD2 3.97Å; L200-W202 HydrophobicContact CB-CG 4.06Å; L200-W202 HydrophobicContact CD1-CD2 4.22Å; L200-W202 HydrophobicContact CD1-CE3 3.98Å; L200-W202 HydrophobicContact CD1-CH2 3.98Å; L200-W202 HydrophobicContact CD1-CZ2 4.21Å; L200-W202 HydrophobicContact CD1-CZ3 3.87Å; L200-W202 PolarHBondContact O-N 2.87Å; L200-W202 PolarHBondContact O-NE1 3.25Å | ||
| 201 | A | 98 | Very high | 97.3 | Very high | 28 Ų | 28 | 44.6 Ų | 44.6 | 23% | 0.231 | 24% | 0.239 | C | C | . | . | trans | 52.6 | 50.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | G199 G219 L220 D221 | G199-A201 PolarHBondContact O-N 2.53Å; A201-G219 CarbonylContact O-C 3.59Å; A201-G219 WeakPolarHBondContact O-CA 3.12Å; A201-L220 CarbonylContact C-O 3.54Å; A201-L220 WeakPolarHBondContact CA-O 3.45Å; A201-L220 PolarHBondContact O-N 3.34Å; A201-D221 HydrophobicContact CB-CB 3.92Å | ||
| 202 | W | 98.5 | Very high | 97.4 | Very high | 124 Ų | 124 | 45.1 Ų | 45.1 | 47% | 0.47 | 24% | 0.239 | S | C | . | . | trans | -101.5 | 10.1 | 179.8 | -66.7 | -8 | 0 | 0 | 0 | 113.3 | Y185 F186 L200 Y204 L220 | Y185-W202 HydrophobicContact CD1-CE3 4.16Å; Y185-W202 HydrophobicContact CG-CB 4.35Å; Y185-W202 HydrophobicContact CG-CE3 4.34Å; F186-W202 AromaticContact CE2-CE3 3.98Å; F186-W202 HydrophobicContact CE2-CE3 3.98Å; F186-W202 AromaticContact CE2-CZ3 3.69Å; F186-W202 HydrophobicContact CE2-CZ3 3.69Å; F186-W202 HydrophobicContact CZ-CE3 4.35Å; F186-W202 AromaticContact CZ-CZ3 3.75Å; F186-W202 HydrophobicContact CZ-CZ3 3.75Å; L200-W202 HydrophobicContact CB-CD2 3.97Å; L200-W202 HydrophobicContact CB-CG 4.06Å; L200-W202 HydrophobicContact CD1-CD2 4.22Å; L200-W202 HydrophobicContact CD1-CE3 3.98Å; L200-W202 HydrophobicContact CD1-CH2 3.98Å; L200-W202 HydrophobicContact CD1-CZ2 4.21Å; L200-W202 HydrophobicContact CD1-CZ3 3.87Å; L200-W202 PolarHBondContact O-N 2.87Å; L200-W202 PolarHBondContact O-NE1 3.25Å; W202-Y204 WeakPolarHBondContact O-CD1 3.42Å; W202-L220 PolarHBondContact N-O 3.36Å | ||
| 203 | S | 98.6 | Very high | 97.6 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.007 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 151.2 | 171.4 | 172.5 | 0 | 0 | 0 | 0 | 110.7 | N182 D183 G219 L220 A223 | N182-S203 VanDerWaalsContact O-CB 3.3Å; N182-S203 WeakPolarHBondContact O-CB 3.37Å; N182-S203 PolarHBondContact O-OG 2.74Å; D183-S203 WeakPolarHBondContact O-CB 3.31Å; S203-G219 PolarHBondContact O-N 3.08Å; S203-L220 WeakPolarHBondContact CB-O 3.08Å; S203-L220 PolarHBondContact N-O 2.99Å; S203-L220 PolarHBondContact O-N 3.28Å; S203-A223 WeakPolarHBondContact OG-CA 3.35Å; S203-A223 WeakPolarHBondContact OG-CB 3.49Å; S203-A223 PolarHBondContact OG-N 3.03Å |
| 204 | Y | 98.9 | Very high | 97.8 | Very high | 17 Ų | 17 | 44.9 Ų | 44.9 | 7% | 0.067 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 159.8 | -172 | 63.7 | -82.2 | 0 | 0 | 0 | 112.6 | L163 P165 N182 Y185 W202 V206 V215 A217 | L163-Y204 WeakPolarHBondContact O-CE2 3.15Å; L163-Y204 PolarHBondContact O-OH 3.43Å; P165-Y204 WeakPolarHBondContact CD-OH 3.21Å; P165-Y204 VanDerWaalsContact CG-OH 3.25Å; P165-Y204 WeakPolarHBondContact CG-OH 3.07Å; N182-Y204 HydrophobicContact CB-CD1 4.2Å; N182-Y204 HydrophobicContact CB-CE1 3.91Å; N182-Y204 HydrophobicContact CB-CE2 4.37Å; N182-Y204 PolarHBondContact N-O 3.28Å; N182-Y204 WeakPolarHBondContact ND2-CE2 3.4Å; N182-Y204 PolarHBondContact O-N 2.98Å; Y185-Y204 HydrophobicContact CD2-CE1 4.18Å; W202-Y204 WeakPolarHBondContact O-CD1 3.42Å; Y204-V206 HydrophobicContact CD2-CG2 3.57Å; Y204-V206 HydrophobicContact CE2-CG2 3.42Å; Y204-V206 VanDerWaalsContact CE2-CG2 3.42Å; Y204-V215 HydrophobicContact CD2-CG1 4.14Å; Y204-V215 HydrophobicContact CD2-CG2 3.88Å; Y204-V215 HydrophobicContact CE2-CG2 4.12Å; Y204-A217 CarbonylContact C-O 3.47Å; Y204-A217 WeakPolarHBondContact CA-O 3.47Å; Y204-A217 WeakPolarHBondContact CB-O 3.45Å |
| 205 | V | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 137.1 | 178.5 | -173.9 | 0 | 0 | 0 | 0 | 109.9 | A180 T181 V215 V216 A217 L220 I226 V237 | A180-V205 CarbonylContact O-C 3.17Å; A180-V205 VanDerWaalsContact O-CA 3.26Å; A180-V205 WeakPolarHBondContact O-CA 3.36Å; A180-V205 WeakPolarHBondContact O-CG1 3.26Å; T181-V205 HydrophobicContact CG2-CG2 4.17Å; V205-V215 WeakPolarHBondContact O-CA 3.27Å; V205-V216 HydrophobicContact CB-CG2 4.07Å; V205-V216 HydrophobicContact CG1-CG2 3.76Å; V205-V216 PolarHBondContact O-N 2.67Å; V205-A217 HydrophobicContact CB-CB 4.05Å; V205-A217 HydrophobicContact CG2-CB 4.07Å; V205-A217 PolarHBondContact N-O 3.46Å; V205-A217 PolarHBondContact O-N 3.21Å; V205-L220 HydrophobicContact CG2-CD1 3.88Å; V205-I226 HydrophobicContact CG1-CD1 3.69Å; V205-V237 HydrophobicContact CG2-CG1 4.05Å; V205-V237 HydrophobicContact CG2-CG2 4.1Å |
| 206 | V | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 136.2 | 179.3 | 174.6 | 0 | 0 | 0 | 0 | 110.3 | L163 L164 Y179 A180 Y204 V213 R214 V215 | L163-V206 HydrophobicContact CB-CG1 4.22Å; L163-V206 HydrophobicContact CB-CG2 4.05Å; L163-V206 WeakPolarHBondContact O-CG2 3.28Å; L164-V206 HydrophobicContact CD2-CB 3.83Å; L164-V206 HydrophobicContact CD2-CG1 3.67Å; L164-V206 HydrophobicContact CD2-CG2 4.36Å; Y179-V206 CarbonylContact C-O 3.59Å; Y179-V206 VanDerWaalsContact CA-O 3.27Å; Y179-V206 WeakPolarHBondContact CA-O 3.35Å; A180-V206 PolarHBondContact N-O 3.4Å; A180-V206 PolarHBondContact O-N 3.28Å; Y204-V206 HydrophobicContact CD2-CG2 3.57Å; Y204-V206 HydrophobicContact CE2-CG2 3.42Å; Y204-V206 VanDerWaalsContact CE2-CG2 3.42Å; V206-V213 HydrophobicContact CG1-CG1 3.62Å; V206-R214 CarbonylContact C-O 3.55Å; V206-R214 WeakPolarHBondContact CA-O 3.33Å; V206-R214 WeakPolarHBondContact CG1-O 3.47Å; V206-V215 HydrophobicContact CG2-CG2 4.26Å |
| 207 | Y | 98.9 | Very high | 98.2 | Very high | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.016 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 128.3 | 159.9 | 174.4 | -108.1 | 0 | 0 | 0 | 109.1 | V173 Y179 V213 R214 W254 | V173-Y207 HydrophobicContact CG2-CE2 4.15Å; Y179-Y207 HydrophobicContact CD1-CD2 4.05Å; Y179-Y207 HydrophobicContact CD1-CG 4.46Å; Y179-Y207 HydrophobicContact CD2-CD2 4.48Å; Y179-Y207 AromaticContact CE1-CD2 3.71Å; Y179-Y207 HydrophobicContact CE1-CD2 3.71Å; Y179-Y207 HydrophobicContact CE1-CG 4.09Å; Y179-Y207 HydrophobicContact CE2-CD2 4.16Å; Y179-Y207 HydrophobicContact CG-CD2 4.43Å; Y179-Y207 AromaticContact CZ-CD2 3.77Å; Y207-V213 WeakPolarHBondContact O-CA 3.24Å; Y207-R214 PolarHBondContact N-O 2.7Å; Y207-R214 PolarHBondContact O-N 2.8Å; Y207-W254 HydrophobicContact CD1-CB 3.93Å; Y207-W254 HydrophobicContact CD1-CG 4.46Å; Y207-W254 HydrophobicContact CD2-CB 3.96Å; Y207-W254 HydrophobicContact CD2-CG 4.46Å; Y207-W254 HydrophobicContact CE1-CB 3.77Å; Y207-W254 AromaticContact CE1-CD1 3.92Å; Y207-W254 AromaticContact CE1-CG 3.81Å; Y207-W254 HydrophobicContact CE1-CG 3.81Å; Y207-W254 HydrophobicContact CE2-CB 3.8Å; Y207-W254 AromaticContact CE2-CD2 3.84Å; Y207-W254 HydrophobicContact CE2-CD2 3.84Å; Y207-W254 AromaticContact CE2-CE3 3.87Å; Y207-W254 HydrophobicContact CE2-CE3 3.87Å; Y207-W254 AromaticContact CE2-CG 3.81Å; Y207-W254 HydrophobicContact CE2-CG 3.81Å; Y207-W254 HydrophobicContact CG-CB 4.01Å; Y207-W254 AromaticContact CZ-CD1 3.74Å; Y207-W254 AromaticContact CZ-CD2 3.71Å; Y207-W254 AromaticContact CZ-CG 3.43Å; Y207-W254 VanDerWaalsContact CZ-CG 3.43Å; Y207-W254 PolarHBondContact OH-NE1 3.39Å |
| 208 | Y | 98.9 | Very high | 98.3 | Very high | 21 Ų | 21 | 45.7 Ų | 45.7 | 8% | 0.082 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 137.4 | 174.5 | 178.3 | -82.4 | 0 | 0 | 0 | 111 | I159 H161 L164 E176 H177 F178 V213 | I159-Y208 HydrophobicContact CD1-CE1 4.06Å; I159-Y208 HydrophobicContact CG2-CD1 4.22Å; I159-Y208 HydrophobicContact CG2-CD2 4.14Å; I159-Y208 HydrophobicContact CG2-CE1 3.67Å; I159-Y208 HydrophobicContact CG2-CE2 3.55Å; I159-Y208 HydrophobicContact CG2-CG 4.46Å; I159-Y208 WeakPolarHBondContact CG2-OH 3.35Å; H161-Y208 HydrophobicContact CB-CD2 4.43Å; H161-Y208 HydrophobicContact CB-CE2 4.33Å; L164-Y208 HydrophobicContact CD1-CD2 4Å; L164-Y208 HydrophobicContact CD1-CG 4.5Å; E176-Y208 WeakPolarHBondContact O-CE1 3.21Å; H177-Y208 WeakPolarHBondContact CA-O 3.45Å; F178-Y208 HydrophobicContact CD1-CD1 4.02Å; F178-Y208 AromaticContact CE1-CD1 3.34Å; F178-Y208 HydrophobicContact CE1-CD1 3.34Å; F178-Y208 HydrophobicContact CE1-CE1 4.03Å; F178-Y208 AromaticContact CE1-CG 3.87Å; F178-Y208 HydrophobicContact CE1-CG 3.87Å; F178-Y208 HydrophobicContact CE2-CD1 4.36Å; F178-Y208 HydrophobicContact CE2-CG 4.05Å; F178-Y208 AromaticContact CZ-CD1 3.54Å; F178-Y208 HydrophobicContact CZ-CD1 3.54Å; F178-Y208 HydrophobicContact CZ-CD2 4.32Å; F178-Y208 HydrophobicContact CZ-CE1 4.34Å; F178-Y208 AromaticContact CZ-CG 3.55Å; F178-Y208 HydrophobicContact CZ-CG 3.55Å; F178-Y208 PolarHBondContact N-O 3.47Å; F178-Y208 VanDerWaalsContact N-O 3.08Å; F178-Y208 PolarHBondContact O-N 2.88Å; Y208-V213 HydrophobicContact CD2-CB 4.37Å; Y208-V213 HydrophobicContact CD2-CG1 3.92Å; Y208-V213 HydrophobicContact CD2-CG2 3.47Å; Y208-V213 VanDerWaalsContact CD2-CG2 3.47Å; Y208-V213 HydrophobicContact CE2-CG2 3.75Å; Y208-V213 HydrophobicContact CG-CG2 4.27Å |
| 209 | S | 98.6 | Very high | 98.4 | Very high | 3 Ų | 3 | 44 Ų | 44 | 2% | 0.021 | 25% | 0.253 | C | S | . | . | trans | -147.2 | 166.8 | 163.9 | 70.7 | 0 | 0 | 0 | 0 | 108.8 | H177 S211 E212 | H177-S209 WeakPolarHBondContact CD2-CB 3.47Å; S209-S211 PolarHBondContact O-N 2.8Å; S209-E212 PolarHBondContact N-O 3.23Å; S209-E212 WeakPolarHBondContact OG-CA 3.45Å; S209-E212 PolarHBondContact OG-N 2.74Å; S209-E212 PolarHBondContact OG-O 2.89Å | ||
| 210 | P | 97.9 | Very high | 98.5 | Very high | 65 Ų | 65 | 42.9 Ų | 42.9 | 42% | 0.422 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -61.3 | -29.5 | 175.8 | -24.1 | 34.9 | 0 | 0 | 0 | 114.2 | E176 | E176-P210 HydrophobicContact CB-CG 4.5Å; E176-P210 HydrophobicContact CG-CG 3.55Å; E176-P210 WeakPolarHBondContact OE1-CG 3.31Å |
| 211 | S | 97.5 | Very high | 98.5 | Very high | 116 Ų | 116 | 41 Ų | 41 | 81% | 0.811 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -99 | -25.4 | -175.1 | 54.1 | 0 | 0 | 0 | 0 | 113.7 | S209 | S209-S211 PolarHBondContact O-N 2.8Š|
| 212 | E | 97.6 | Very high | 98.6 | Very high | 85 Ų | 85 | 40.4 Ų | 40.4 | 40% | 0.397 | 22% | 0.223 | S | C | . | . | trans | -144.5 | 134.1 | -176.8 | -172.8 | -178.3 | -157.2 | 0 | 0 | 111.4 | S209 R214 | S209-E212 PolarHBondContact N-O 3.23Å; S209-E212 WeakPolarHBondContact OG-CA 3.45Å; S209-E212 PolarHBondContact OG-N 2.74Å; S209-E212 PolarHBondContact OG-O 2.89Å; E212-R214 IonicContact OE1-CZ 3.41Å; E212-R214 IonicContact OE1-NE 2.63Å; E212-R214 PolarHBondContact OE1-NE 2.86Å; E212-R214 IonicContact OE1-NH2 3.92Å; E212-R214 IonicContact OE2-CZ 3.6Å; E212-R214 IonicContact OE2-NE 4Å; E212-R214 PolarHBondContact OE2-NE 2.92Å; E212-R214 IonicContact OE2-NH2 3.78Å; E212-R214 PolarHBondContact OE2-NH2 3.29Å | ||
| 213 | V | 98.7 | Very high | 98.6 | Very high | 35 Ų | 35 | 34.5 Ų | 34.5 | 21% | 0.212 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 125.7 | 171.9 | -167.4 | 0 | 0 | 0 | 0 | 109.3 | H161 L163 V206 Y207 Y208 | H161-V213 WeakPolarHBondContact ND1-CG1 3.09Å; L163-V213 HydrophobicContact CB-CG1 4.47Å; L163-V213 HydrophobicContact CD1-CG1 4.2Å; V206-V213 HydrophobicContact CG1-CG1 3.62Å; Y207-V213 WeakPolarHBondContact O-CA 3.24Å; Y208-V213 HydrophobicContact CD2-CB 4.37Å; Y208-V213 HydrophobicContact CD2-CG1 3.92Å; Y208-V213 HydrophobicContact CD2-CG2 3.47Å; Y208-V213 VanDerWaalsContact CD2-CG2 3.47Å; Y208-V213 HydrophobicContact CE2-CG2 3.75Å; Y208-V213 HydrophobicContact CG-CG2 4.27Å |
| 214 | R | 98.7 | Very high | 98.6 | Very high | 47 Ų | 47 | 34.7 Ų | 34.7 | 18% | 0.177 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 152.3 | -178 | 60.7 | 177.3 | 138.7 | 79.5 | 7.7 | 113.3 | V206 Y207 E212 V216 N253 W254 | V206-R214 CarbonylContact C-O 3.55Å; V206-R214 WeakPolarHBondContact CA-O 3.33Å; V206-R214 WeakPolarHBondContact CG1-O 3.47Å; Y207-R214 PolarHBondContact N-O 2.7Å; Y207-R214 PolarHBondContact O-N 2.8Å; E212-R214 IonicContact OE1-CZ 3.41Å; E212-R214 IonicContact OE1-NE 2.63Å; E212-R214 PolarHBondContact OE1-NE 2.86Å; E212-R214 IonicContact OE1-NH2 3.92Å; E212-R214 IonicContact OE2-CZ 3.6Å; E212-R214 IonicContact OE2-NE 4Å; E212-R214 PolarHBondContact OE2-NE 2.92Å; E212-R214 IonicContact OE2-NH2 3.78Å; E212-R214 PolarHBondContact OE2-NH2 3.29Å; R214-V216 HydrophobicContact CG-CG1 4.11Å; R214-N253 PolarHBondContact NH2-O 3.31Å; R214-W254 PolarHBondContact NH1-O 3.22Å |
| 215 | V | 98.9 | Very high | 98.6 | Very high | 55 Ų | 55 | 33.9 Ų | 33.9 | 33% | 0.333 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 135.5 | 167.5 | -177.6 | 0 | 0 | 0 | 0 | 108.7 | L163 Y204 V205 V206 A217 E218 | L163-V215 HydrophobicContact CD1-CG2 4.44Å; L163-V215 HydrophobicContact CD2-CG2 4.4Å; Y204-V215 HydrophobicContact CD2-CG1 4.14Å; Y204-V215 HydrophobicContact CD2-CG2 3.88Å; Y204-V215 HydrophobicContact CE2-CG2 4.12Å; V205-V215 WeakPolarHBondContact O-CA 3.27Å; V206-V215 HydrophobicContact CG2-CG2 4.26Å; V215-A217 WeakPolarHBondContact CG1-O 3.46Å; V215-E218 HydrophobicContact CG1-CB 4.19Å |
| 216 | V | 98.8 | Very high | 98.6 | Very high | 21 Ų | 21 | 34 Ų | 34 | 13% | 0.127 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | -15.9 | -178.3 | -66.1 | 0 | 0 | 0 | 0 | 113.7 | Y179 V205 R214 L256 | Y179-V216 HydrophobicContact CD1-CG2 3.9Å; Y179-V216 HydrophobicContact CE1-CG2 4.13Å; V205-V216 HydrophobicContact CB-CG2 4.07Å; V205-V216 HydrophobicContact CG1-CG2 3.76Å; V205-V216 PolarHBondContact O-N 2.67Å; R214-V216 HydrophobicContact CG-CG1 4.11Å; V216-L256 HydrophobicContact CB-CB 4.32Å; V216-L256 HydrophobicContact CB-CD1 4.24Å; V216-L256 HydrophobicContact CB-CG 4.05Å; V216-L256 HydrophobicContact CG2-CD1 3.68Å; V216-L256 HydrophobicContact CG2-CG 4.01Å |
| 217 | A | 98.8 | Very high | 98.6 | Very high | 11 Ų | 11 | 35.4 Ų | 35.4 | 9% | 0.091 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 149.2 | 166.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | Y204 V205 V215 Y248 | Y204-A217 CarbonylContact C-O 3.47Å; Y204-A217 WeakPolarHBondContact CA-O 3.47Å; Y204-A217 WeakPolarHBondContact CB-O 3.45Å; V205-A217 HydrophobicContact CB-CB 4.05Å; V205-A217 HydrophobicContact CG2-CB 4.07Å; V205-A217 PolarHBondContact N-O 3.46Å; V205-A217 PolarHBondContact O-N 3.21Å; V215-A217 WeakPolarHBondContact CG1-O 3.46Å; A217-Y248 HydrophobicContact CB-CE1 3.81Å |
| 218 | E | 98.4 | Very high | 98.6 | Very high | 154 Ų | 154 | 36.6 Ų | 36.6 | 72% | 0.72 | 21% | 0.212 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 168.8 | -177.9 | 64.1 | -176.1 | -176.5 | 0 | 0 | 110.6 | V215 | V215-E218 HydrophobicContact CG1-CB 4.19Å |
| 219 | G | 98.4 | Very high | 98.6 | Very high | 51 Ų | 51 | 35.8 Ų | 35.8 | 53% | 0.526 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 83.7 | 29.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | A201 S203 | A201-G219 CarbonylContact O-C 3.59Å; A201-G219 WeakPolarHBondContact O-CA 3.12Å; S203-G219 PolarHBondContact O-N 3.08Å |
| 220 | L | 98.8 | Very high | 98.6 | Very high | 4 Ų | 4 | 39.4 Ų | 39.4 | 2% | 0.021 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 147.1 | -179.2 | -62 | 167.1 | 0 | 0 | 0 | 110.5 | A201 W202 S203 V205 F222 A223 V237 E239 | A201-L220 CarbonylContact C-O 3.54Å; A201-L220 WeakPolarHBondContact CA-O 3.45Å; A201-L220 PolarHBondContact O-N 3.34Å; W202-L220 PolarHBondContact N-O 3.36Å; S203-L220 WeakPolarHBondContact CB-O 3.08Å; S203-L220 PolarHBondContact N-O 2.99Å; S203-L220 PolarHBondContact O-N 3.28Å; V205-L220 HydrophobicContact CG2-CD1 3.88Å; L220-F222 PolarHBondContact O-N 2.69Å; L220-A223 HydrophobicContact CB-CB 4.1Å; L220-A223 HydrophobicContact CD1-CB 3.63Å; L220-A223 HydrophobicContact CG-CB 4.49Å; L220-V237 HydrophobicContact CD1-CG1 4.1Å; L220-E239 WeakPolarHBondContact CA-OE1 3.31Å; L220-E239 HydrophobicContact CB-CG 4.27Å; L220-E239 HydrophobicContact CD2-CB 4.39Å; L220-E239 HydrophobicContact CD2-CG 4.22Å |
| 221 | D | 98.7 | Very high | 98.6 | Very high | 20 Ų | 20 | 40.4 Ų | 40.4 | 11% | 0.107 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -94.5 | 88.3 | 171 | -166 | 15 | 0 | 0 | 0 | 110.1 | R27 A201 E239 L241 | R27-D221 IonicContact CZ-OD1 3.82Å; R27-D221 IonicContact CZ-OD2 2.67Å; R27-D221 VanDerWaalsContact CZ-OD2 3.3Å; R27-D221 IonicContact NE-OD1 3.88Å; R27-D221 IonicContact NE-OD2 2.76Å; R27-D221 PolarHBondContact NE-OD2 3.29Å; R27-D221 IonicContact NH2-OD1 2.71Å; R27-D221 PolarHBondContact NH2-OD1 3.18Å; R27-D221 IonicContact NH2-OD2 3.67Å; R27-D221 PolarHBondContact NH2-OD2 2.78Å; R27-D221 VanDerWaalsContact NH2-OD2 3.15Å; A201-D221 HydrophobicContact CB-CB 3.92Å; D221-E239 HydrophobicContact CB-CG 4.29Å; D221-E239 PolarHBondContact N-OE1 3.34Å; D221-E239 WeakPolarHBondContact O-CG 3.36Å; D221-L241 HydrophobicContact CB-CB 4.3Å; D221-L241 PolarHBondContact O-N 3.13Å; D221-L241 WeakPolarHBondContact OD2-CB 3.11Å |
| 222 | F | 98.6 | Very high | 98.7 | Very high | 15 Ų | 15 | 35.8 Ų | 35.8 | 7% | 0.066 | 21% | 0.206 | C | C | . | . | S | Bend | trans | 65.6 | 72.2 | -179.3 | -152.2 | -59.8 | 0 | 0 | 0 | 111.8 | D183 H184 M196 L220 N224 L240 L241 F292 | D183-F222 HydrophobicContact CB-CD1 3.79Å; D183-F222 HydrophobicContact CB-CE1 3.66Å; D183-F222 HydrophobicContact CB-CG 4.39Å; D183-F222 HydrophobicContact CB-CZ 4.18Å; H184-F222 AromaticContact CE1-CD2 3.81Å; H184-F222 AromaticContact CE1-CE2 3.35Å; H184-F222 WeakPolarHBondContact CE1-CE2 3.32Å; H184-F222 AromaticContact CE1-CZ 3.9Å; H184-F222 AromaticContact NE2-CE2 3.9Å; M196-F222 HydrophobicContact SD-CD2 4.43Å; M196-F222 HydrophobicContact SD-CE2 4.23Å; L220-F222 PolarHBondContact O-N 2.69Å; F222-N224 HydrophobicContact CD1-CB 4.45Å; F222-N224 PolarHBondContact O-N 3.2Å; F222-L240 HydrophobicContact CB-CB 4.23Å; F222-L240 HydrophobicContact CD1-CB 4Å; F222-L240 HydrophobicContact CD1-CD2 3.6Å; F222-L240 HydrophobicContact CD1-CG 4.44Å; F222-L240 HydrophobicContact CE1-CD2 3.69Å; F222-L240 HydrophobicContact CG-CB 4.36Å; F222-L240 HydrophobicContact CG-CD2 4.08Å; F222-L240 HydrophobicContact CZ-CD2 4.21Å; F222-L240 WeakPolarHBondContact O-CB 3.25Å; F222-L240 PolarHBondContact O-N 2.75Å; F222-L241 HydrophobicContact CB-CB 4.32Å; F222-L241 HydrophobicContact CB-CD1 3.84Å; F222-L241 HydrophobicContact CB-CG 3.82Å; F222-L241 HydrophobicContact CD2-CD1 3.87Å; F222-L241 HydrophobicContact CD2-CG 4.32Å; F222-L241 HydrophobicContact CG-CD1 4.26Å; F222-L241 HydrophobicContact CG-CG 4.33Å; F222-F292 HydrophobicContact CE2-CE1 4.3Å; F222-F292 HydrophobicContact CE2-CZ 4.31Å; F222-F292 HydrophobicContact CZ-CE1 4.45Å |
| 223 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 125.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | T181 D183 S203 L220 V237 A238 | T181-A223 HydrophobicContact CG2-CB 3.9Å; D183-A223 WeakPolarHBondContact CA-O 3.45Å; S203-A223 WeakPolarHBondContact OG-CA 3.35Å; S203-A223 WeakPolarHBondContact OG-CB 3.49Å; S203-A223 PolarHBondContact OG-N 3.03Å; L220-A223 HydrophobicContact CB-CB 4.1Å; L220-A223 HydrophobicContact CD1-CB 3.63Å; L220-A223 HydrophobicContact CG-CB 4.49Å; A223-V237 HydrophobicContact CB-CG1 4.16Å; A223-A238 WeakPolarHBondContact CA-O 3.23Å |
| 224 | N | 98.8 | Very high | 98.7 | Very high | 5 Ų | 5 | 38 Ų | 38 | 3% | 0.027 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | -108.7 | -171.6 | -173 | -74.4 | 0 | 0 | 0 | 109.5 | N168 T181 F222 A238 L240 D269 N270 | N168-N224 PolarHBondContact ND2-ND2 3.28Å; N168-N224 WeakPolarHBondContact OD1-CA 3.38Å; N168-N224 PolarHBondContact OD1-ND2 2.89Å; N168-N224 PolarHBondContact OD1-OD1 3.3Å; T181-N224 VanDerWaalsContact CB-O 3.27Å; T181-N224 WeakPolarHBondContact CB-O 3.48Å; T181-N224 VanDerWaalsContact CG2-O 3.25Å; T181-N224 WeakPolarHBondContact CG2-O 3.4Å; T181-N224 PolarHBondContact OG1-O 3.09Å; F222-N224 HydrophobicContact CD1-CB 4.45Å; F222-N224 PolarHBondContact O-N 3.2Å; N224-A238 PolarHBondContact N-O 2.83Å; N224-L240 HydrophobicContact CB-CB 4.12Å; N224-D269 PolarHBondContact ND2-OD1 2.81Å; N224-D269 VanDerWaalsContact OD1-C 3.25Å; N224-D269 PolarHBondContact OD1-O 2.82Å; N224-D269 PolarHBondContact OD1-OD1 3.02Å; N224-N270 PolarHBondContact OD1-OD1 2.95Å; N224-N270 VanDerWaalsContact OD1-OD1 3.06Å |
| 225 | G | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 143.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | A238 D269 | G225-A238 PolarHBondContact O-N 2.74Å; G225-D269 WeakPolarHBondContact CA-O 3.25Å; G225-D269 PolarHBondContact N-O 3.36Å |
| 226 | I | 99 | Very high | 98.8 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 134.1 | 175.9 | -172.6 | 169.5 | 0 | 0 | 0 | 111.3 | D169 V171 T181 V205 V235 Y236 V237 | D169-I226 HydrophobicContact CB-CG2 4.28Å; D169-I226 PolarHBondContact OD2-N 2.57Å; D169-I226 VanDerWaalsContact OD2-N 3.12Å; V171-I226 HydrophobicContact CB-CG2 4.49Å; V171-I226 HydrophobicContact CG1-CD1 4.27Å; V171-I226 HydrophobicContact CG1-CG1 3.89Å; V171-I226 HydrophobicContact CG1-CG2 4.38Å; T181-I226 HydrophobicContact CG2-CB 3.85Å; T181-I226 HydrophobicContact CG2-CD1 4.17Å; T181-I226 HydrophobicContact CG2-CG2 4.15Å; V205-I226 HydrophobicContact CG1-CD1 3.69Å; I226-V235 HydrophobicContact CD1-CG1 3.94Å; I226-V235 HydrophobicContact CG1-CG1 3.88Å; I226-Y236 VanDerWaalsContact CA-O 3.28Å; I226-Y236 WeakPolarHBondContact CA-O 3.15Å; I226-Y236 WeakPolarHBondContact CG1-O 3.12Å; I226-V237 HydrophobicContact CD1-CG2 4.05Å; I226-V237 HydrophobicContact CG1-CG2 4.08Å |
| 227 | N | 98.9 | Very high | 98.8 | Very high | 31 Ų | 31 | 32.5 Ų | 32.5 | 17% | 0.166 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 177.2 | 176.7 | -144.3 | -45.8 | 0 | 0 | 0 | 111.9 | V235 Y236 I271 V273 | N227-V235 CarbonylContact O-C 3.56Å; N227-V235 WeakPolarHBondContact O-CA 3.25Å; N227-Y236 PolarHBondContact N-O 2.96Å; N227-Y236 PolarHBondContact O-N 2.94Å; N227-I271 HydrophobicContact CB-CB 4.24Å; N227-I271 HydrophobicContact CB-CG2 3.97Å; N227-I271 WeakPolarHBondContact CB-O 3.42Å; N227-I271 PolarHBondContact ND2-O 3.22Å; N227-V273 HydrophobicContact CB-CG2 3.74Å |
| 228 | I | 98.9 | Very high | 98.8 | Very high | 28 Ų | 28 | 32 Ų | 32 | 14% | 0.144 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 146.5 | -173.7 | -161.2 | 173.7 | 0 | 0 | 0 | 110.8 | V171 V173 Y234 V235 K250 | V171-I228 HydrophobicContact CG2-CB 3.93Å; V171-I228 HydrophobicContact CG2-CG2 3.68Å; V173-I228 HydrophobicContact CG1-CD1 3.82Å; I228-Y234 CarbonylContact C-O 3.54Å; I228-Y234 WeakPolarHBondContact CA-O 3.13Å; I228-Y234 VanDerWaalsContact CG1-O 3.23Å; I228-Y234 WeakPolarHBondContact CG1-O 3.42Å; I228-V235 HydrophobicContact CD1-CG2 4.45Å; I228-V235 HydrophobicContact CG1-CG2 4.14Å; I228-K250 HydrophobicContact CD1-CD 3.77Å |
| 229 | S | 98.9 | Very high | 98.8 | Very high | 5 Ų | 5 | 25.4 Ų | 25.4 | 4% | 0.035 | 15% | 0.146 | C | C | . | . | trans | -62.7 | 151.5 | 171.8 | 63.2 | 0 | 0 | 0 | 0 | 111.3 | D231 G232 K233 Y234 Y236 | S229-D231 WeakPolarHBondContact CB-OD1 3.37Å; S229-D231 PolarHBondContact O-N 2.9Å; S229-D231 VanDerWaalsContact O-N 3.1Å; S229-D231 PolarHBondContact OG-OD1 2.89Å; S229-G232 WeakPolarHBondContact O-CA 3.18Å; S229-G232 PolarHBondContact O-N 3.25Å; S229-K233 PolarHBondContact OG-N 2.65Å; S229-K233 VanDerWaalsContact OG-N 3.12Å; S229-Y234 PolarHBondContact N-O 2.66Å; S229-Y234 PolarHBondContact OG-N 3.47Å; S229-Y236 WeakPolarHBondContact CB-OH 3.22Å | ||
| 230 | P | 98.6 | Very high | 98.8 | Very high | 79 Ų | 79 | 23.2 Ų | 23.2 | 51% | 0.513 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -28 | -179.7 | -26.5 | 35.9 | 0 | 0 | 0 | 113.9 | G232 V273 | P230-G232 VanDerWaalsContact C-N 3.3Å; P230-V273 HydrophobicContact CG-CG1 4.12Å |
| 231 | D | 98.4 | Very high | 98.8 | Very high | 85 Ų | 85 | 23.1 Ų | 23.1 | 46% | 0.455 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 1.7 | 176.2 | 76.1 | -16 | 0 | 0 | 0 | 114 | S229 K233 | S229-D231 WeakPolarHBondContact CB-OD1 3.37Å; S229-D231 PolarHBondContact O-N 2.9Å; S229-D231 VanDerWaalsContact O-N 3.1Å; S229-D231 PolarHBondContact OG-OD1 2.89Å; D231-K233 PolarHBondContact O-N 3.4Å; D231-K233 WeakPolarHBondContact OD1-CB 3.47Å; D231-K233 PolarHBondContact OD1-N 3.24Å; D231-K233 VanDerWaalsContact OD1-N 3.16Å; D231-K233 WeakPolarHBondContact OD2-CD 3.38Å; D231-K233 WeakPolarHBondContact OD2-CE 3.05Å; D231-K233 WeakPolarHBondContact OD2-CG 3.43Å; D231-K233 IonicContact OD2-NZ 2.74Å; D231-K233 PolarHBondContact OD2-NZ 2.99Å |
| 232 | G | 98.6 | Very high | 98.8 | Very high | 20 Ų | 20 | 23.6 Ų | 23.6 | 21% | 0.206 | 13% | 0.129 | C | C | . | . | S | Bend | trans | 68.1 | 14.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115 | S229 P230 K250 | S229-G232 WeakPolarHBondContact O-CA 3.18Å; S229-G232 PolarHBondContact O-N 3.25Å; P230-G232 VanDerWaalsContact C-N 3.3Å; G232-K250 WeakPolarHBondContact O-CD 3.37Å; G232-K250 WeakPolarHBondContact O-CE 3.37Å; G232-K250 PolarHBondContact O-NZ 2.76Å |
| 233 | K | 98.8 | Very high | 98.8 | Very high | 116 Ų | 116 | 23.6 Ų | 23.6 | 50% | 0.504 | 13% | 0.129 | S | C | . | . | trans | -94.2 | -18.4 | -176.4 | -63.1 | -164 | -163.1 | 105.9 | 0 | 114.6 | S229 D231 K250 | S229-K233 PolarHBondContact OG-N 2.65Å; S229-K233 VanDerWaalsContact OG-N 3.12Å; D231-K233 PolarHBondContact O-N 3.4Å; D231-K233 WeakPolarHBondContact OD1-CB 3.47Å; D231-K233 PolarHBondContact OD1-N 3.24Å; D231-K233 VanDerWaalsContact OD1-N 3.16Å; D231-K233 WeakPolarHBondContact OD2-CD 3.38Å; D231-K233 WeakPolarHBondContact OD2-CE 3.05Å; D231-K233 WeakPolarHBondContact OD2-CG 3.43Å; D231-K233 IonicContact OD2-NZ 2.74Å; D231-K233 PolarHBondContact OD2-NZ 2.99Å; K233-K250 PolarHBondContact O-N 2.67Å | ||
| 234 | Y | 98.9 | Very high | 98.8 | Very high | 50 Ų | 50 | 26.3 Ų | 26.3 | 20% | 0.196 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 139.7 | -178.4 | -53.3 | -81.2 | 0 | 0 | 0 | 111.1 | I228 S229 V247 Y248 E249 L259 L311 | I228-Y234 CarbonylContact C-O 3.54Å; I228-Y234 WeakPolarHBondContact CA-O 3.13Å; I228-Y234 VanDerWaalsContact CG1-O 3.23Å; I228-Y234 WeakPolarHBondContact CG1-O 3.42Å; S229-Y234 PolarHBondContact N-O 2.66Å; S229-Y234 PolarHBondContact OG-N 3.47Å; Y234-V247 HydrophobicContact CD1-CG1 4.21Å; Y234-Y248 CarbonylContact C-O 3.51Å; Y234-Y248 WeakPolarHBondContact CA-O 3.13Å; Y234-E249 HydrophobicContact CD1-CG 4.3Å; Y234-E249 HydrophobicContact CE1-CG 4.02Å; Y234-L259 HydrophobicContact CD1-CD2 4.18Å; Y234-L259 HydrophobicContact CE1-CD2 3.86Å; Y234-L311 HydrophobicContact CD1-CD2 4.01Å; Y234-L311 HydrophobicContact CD2-CD1 4.11Å; Y234-L311 HydrophobicContact CD2-CD2 4.47Å; Y234-L311 HydrophobicContact CE1-CD1 4.23Å; Y234-L311 HydrophobicContact CE1-CD2 3.89Å; Y234-L311 HydrophobicContact CE2-CD1 3.49Å; Y234-L311 VanDerWaalsContact CE2-CD1 3.49Å; Y234-L311 HydrophobicContact CE2-CD2 4.39Å; Y234-L311 HydrophobicContact CG-CD2 4.29Å |
| 235 | V | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 135.4 | 170.9 | 170.9 | 0 | 0 | 0 | 0 | 108.5 | Y179 I226 N227 I228 V237 Y248 K250 L256 | Y179-V235 HydrophobicContact CD2-CG2 4.28Å; Y179-V235 HydrophobicContact CE2-CG2 4.22Å; I226-V235 HydrophobicContact CD1-CG1 3.94Å; I226-V235 HydrophobicContact CG1-CG1 3.88Å; N227-V235 CarbonylContact O-C 3.56Å; N227-V235 WeakPolarHBondContact O-CA 3.25Å; I228-V235 HydrophobicContact CD1-CG2 4.45Å; I228-V235 HydrophobicContact CG1-CG2 4.14Å; V235-V237 HydrophobicContact CG1-CG2 4.13Å; V235-Y248 PolarHBondContact N-O 3.15Å; V235-Y248 PolarHBondContact O-N 3.05Å; V235-K250 HydrophobicContact CG2-CB 4.22Å; V235-K250 HydrophobicContact CG2-CD 4.14Å; V235-K250 HydrophobicContact CG2-CG 4.49Å; V235-L256 HydrophobicContact CB-CD1 4.21Å; V235-L256 HydrophobicContact CB-CD2 4.07Å; V235-L256 HydrophobicContact CG1-CD1 4.09Å; V235-L256 HydrophobicContact CG2-CD2 3.86Å |
| 236 | Y | 98.9 | Very high | 98.9 | Very high | 7 Ų | 7 | 27.5 Ų | 27.5 | 3% | 0.027 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 132 | 179.3 | -46.8 | -60.9 | 0 | 0 | 0 | 109.2 | I226 N227 S229 H246 V247 V273 L280 I310 | I226-Y236 VanDerWaalsContact CA-O 3.28Å; I226-Y236 WeakPolarHBondContact CA-O 3.15Å; I226-Y236 WeakPolarHBondContact CG1-O 3.12Å; N227-Y236 PolarHBondContact N-O 2.96Å; N227-Y236 PolarHBondContact O-N 2.94Å; S229-Y236 WeakPolarHBondContact CB-OH 3.22Å; Y236-H246 VanDerWaalsContact CA-O 3.3Å; Y236-H246 WeakPolarHBondContact CA-O 3.36Å; Y236-V247 HydrophobicContact CD1-CB 4.5Å; Y236-V247 HydrophobicContact CD1-CG1 4.19Å; Y236-V247 HydrophobicContact CD1-CG2 4.14Å; Y236-V247 HydrophobicContact CE1-CG1 4Å; Y236-V247 HydrophobicContact CE1-CG2 4.37Å; Y236-V273 HydrophobicContact CD2-CG2 3.94Å; Y236-V273 HydrophobicContact CE2-CG2 3.96Å; Y236-L280 HydrophobicContact CD1-CD2 4.27Å; Y236-L280 HydrophobicContact CD2-CD1 3.91Å; Y236-L280 HydrophobicContact CD2-CD2 4.06Å; Y236-L280 HydrophobicContact CD2-CG 4.14Å; Y236-L280 HydrophobicContact CE1-CD1 4.32Å; Y236-L280 HydrophobicContact CE2-CD1 3.65Å; Y236-L280 HydrophobicContact CE2-CG 4.36Å; Y236-L280 HydrophobicContact CG-CD1 4.33Å; Y236-L280 HydrophobicContact CG-CD2 3.86Å; Y236-L280 HydrophobicContact CG-CG 4.43Å; Y236-I310 HydrophobicContact CD1-CD1 4.25Å; Y236-I310 HydrophobicContact CE1-CD1 4.27Å; Y236-I310 HydrophobicContact CE1-CG2 3.93Å |
| 237 | V | 99 | Very high | 98.9 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 122.1 | 179.9 | -176.4 | 0 | 0 | 0 | 0 | 109.2 | T181 V205 L220 A223 I226 V235 I245 H246 Y248 | T181-V237 HydrophobicContact CG2-CG1 3.99Å; V205-V237 HydrophobicContact CG2-CG1 4.05Å; V205-V237 HydrophobicContact CG2-CG2 4.1Å; L220-V237 HydrophobicContact CD1-CG1 4.1Å; A223-V237 HydrophobicContact CB-CG1 4.16Å; I226-V237 HydrophobicContact CD1-CG2 4.05Å; I226-V237 HydrophobicContact CG1-CG2 4.08Å; V235-V237 HydrophobicContact CG1-CG2 4.13Å; V237-I245 WeakPolarHBondContact O-CA 3.3Å; V237-H246 HydrophobicContact CB-CB 4.5Å; V237-H246 PolarHBondContact N-O 2.62Å; V237-H246 PolarHBondContact O-N 3.05Å; V237-Y248 HydrophobicContact CB-CE2 4.23Å; V237-Y248 HydrophobicContact CG2-CD2 4.09Å; V237-Y248 HydrophobicContact CG2-CE2 3.91Å |
| 238 | A | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 128 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | A223 N224 G225 V268 D269 I271 | A223-A238 WeakPolarHBondContact CA-O 3.23Å; N224-A238 PolarHBondContact N-O 2.83Å; G225-A238 PolarHBondContact O-N 2.74Å; A238-V268 HydrophobicContact CB-CB 4.43Å; A238-V268 HydrophobicContact CB-CG2 4.05Å; A238-D269 WeakPolarHBondContact CB-O 3.28Å; A238-I271 HydrophobicContact CB-CD1 3.96Å; A238-I271 HydrophobicContact CB-CG1 4.21Å |
| 239 | E | 98.9 | Very high | 98.9 | Very high | 16 Ų | 16 | 28.8 Ų | 28.8 | 8% | 0.075 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 92.5 | 170.3 | -172.9 | -175.6 | -163.4 | 0 | 0 | 107.6 | L220 D221 L241 A242 H243 K244 H246 | L220-E239 WeakPolarHBondContact CA-OE1 3.31Å; L220-E239 HydrophobicContact CB-CG 4.27Å; L220-E239 HydrophobicContact CD2-CB 4.39Å; L220-E239 HydrophobicContact CD2-CG 4.22Å; D221-E239 HydrophobicContact CB-CG 4.29Å; D221-E239 PolarHBondContact N-OE1 3.34Å; D221-E239 WeakPolarHBondContact O-CG 3.36Å; E239-L241 PolarHBondContact O-N 3.08Å; E239-A242 HydrophobicContact CB-CB 4.19Å; E239-A242 HydrophobicContact CG-CB 3.52Å; E239-A242 PolarHBondContact O-N 3.45Å; E239-A242 VanDerWaalsContact OE2-CB 3.24Å; E239-A242 WeakPolarHBondContact OE2-CB 3.46Å; E239-H243 PolarHBondContact O-N 3.28Å; E239-H243 VanDerWaalsContact O-N 3.08Å; E239-K244 HydrophobicContact CB-CB 4.34Å; E239-K244 PolarHBondContact N-O 3.2Å; E239-K244 PolarHBondContact O-N 3.17Å; E239-H246 IonicContact OE2-CD2 2.53Å; E239-H246 IonicContact OE2-CE1 2.69Å; E239-H246 PolarHBondContact OE2-CE1 2.96Å; E239-H246 IonicContact OE2-NE2 2.8Å; E239-H246 PolarHBondContact OE2-NE2 3.35Å |
| 240 | L | 98.9 | Very high | 98.8 | Very high | 5 Ų | 5 | 30.4 Ų | 30.4 | 3% | 0.026 | 16% | 0.157 | C | C | . | . | G | 310 helix | trans | -57.2 | -49 | -163.7 | 179.5 | 74.1 | 0 | 0 | 0 | 112.2 | F222 N224 H243 L267 V268 D269 F292 | F222-L240 HydrophobicContact CB-CB 4.23Å; F222-L240 HydrophobicContact CD1-CB 4Å; F222-L240 HydrophobicContact CD1-CD2 3.6Å; F222-L240 HydrophobicContact CD1-CG 4.44Å; F222-L240 HydrophobicContact CE1-CD2 3.69Å; F222-L240 HydrophobicContact CG-CB 4.36Å; F222-L240 HydrophobicContact CG-CD2 4.08Å; F222-L240 HydrophobicContact CZ-CD2 4.21Å; F222-L240 WeakPolarHBondContact O-CB 3.25Å; F222-L240 PolarHBondContact O-N 2.75Å; N224-L240 HydrophobicContact CB-CB 4.12Å; L240-H243 PolarHBondContact O-CD2 3.19Å; L240-H243 PolarHBondContact O-N 2.86Å; L240-L267 HydrophobicContact CD1-CB 3.64Å; L240-L267 HydrophobicContact CD1-CD2 4.47Å; L240-L267 HydrophobicContact CG-CB 4.15Å; L240-L267 HydrophobicContact CG-CD2 4.27Å; L240-L267 WeakPolarHBondContact O-CB 3.46Å; L240-L267 WeakPolarHBondContact O-CG 3.15Å; L240-V268 WeakPolarHBondContact CA-O 3.47Å; L240-V268 WeakPolarHBondContact CD1-O 3.31Å; L240-D269 HydrophobicContact CD1-CB 4.21Å; L240-F292 HydrophobicContact CD2-CZ 3.93Å |
| 241 | L | 98.8 | Very high | 98.8 | Very high | 2 Ų | 2 | 29.7 Ų | 29.7 | 1% | 0.01 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -85.5 | -14.2 | -173.8 | -67.3 | 179.5 | 0 | 0 | 0 | 113.7 | R27 L28 M196 D221 F222 E239 L267 F292 | R27-L241 WeakPolarHBondContact CA-O 3.39Å; R27-L241 HydrophobicContact CB-CB 4.45Å; R27-L241 VanDerWaalsContact NH2-CD1 3.34Å; L28-L241 HydrophobicContact CD2-CD2 3.82Å; M196-L241 HydrophobicContact CG-CD1 3.67Å; M196-L241 HydrophobicContact SD-CD1 4.35Å; D221-L241 HydrophobicContact CB-CB 4.3Å; D221-L241 PolarHBondContact O-N 3.13Å; D221-L241 WeakPolarHBondContact OD2-CB 3.11Å; F222-L241 HydrophobicContact CB-CB 4.32Å; F222-L241 HydrophobicContact CB-CD1 3.84Å; F222-L241 HydrophobicContact CB-CG 3.82Å; F222-L241 HydrophobicContact CD2-CD1 3.87Å; F222-L241 HydrophobicContact CD2-CG 4.32Å; F222-L241 HydrophobicContact CG-CD1 4.26Å; F222-L241 HydrophobicContact CG-CG 4.33Å; E239-L241 PolarHBondContact O-N 3.08Å; L241-L267 HydrophobicContact CD2-CD2 3.98Å; L241-F292 HydrophobicContact CD2-CE2 4.06Å; L241-F292 HydrophobicContact CD2-CZ 4.48Å |
| 242 | A | 98.8 | Very high | 98.8 | Very high | 30 Ų | 30 | 30.4 Ų | 30.4 | 25% | 0.248 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -88.7 | -11 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | E239 K244 | E239-A242 HydrophobicContact CB-CB 4.19Å; E239-A242 HydrophobicContact CG-CB 3.52Å; E239-A242 PolarHBondContact O-N 3.45Å; E239-A242 VanDerWaalsContact OE2-CB 3.24Å; E239-A242 WeakPolarHBondContact OE2-CB 3.46Å; A242-K244 HydrophobicContact CB-CD 4.19Å; A242-K244 HydrophobicContact CB-CG 4.08Å; A242-K244 WeakPolarHBondContact O-CG 3.48Å |
| 243 | H | 98.9 | Very high | 98.8 | Very high | 16 Ų | 16 | 33.8 Ų | 33.8 | 7% | 0.074 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62 | 43.7 | -175.8 | -50 | 167.6 | 0 | 0 | 0 | 111.3 | T26 R27 E239 L240 F264 T266 L267 | T26-H243 PolarHBondContact O-CE1 3.06Å; R27-H243 PolarHBondContact O-NE2 2.9Å; E239-H243 PolarHBondContact O-N 3.28Å; E239-H243 VanDerWaalsContact O-N 3.08Å; L240-H243 PolarHBondContact O-CD2 3.19Å; L240-H243 PolarHBondContact O-N 2.86Å; H243-F264 VanDerWaalsContact CB-O 3.25Å; H243-F264 WeakPolarHBondContact CB-O 3.48Å; H243-F264 WeakPolarHBondContact O-CD2 2.96Å; H243-F264 PolarHBondContact O-N 3.41Å; H243-T266 WeakPolarHBondContact CB-O 3.39Å; H243-L267 VanDerWaalsContact NE2-CD1 3.34Å; H243-L267 WeakPolarHBondContact NE2-CD1 3.2Å |
| 244 | K | 98.9 | Very high | 98.8 | Very high | 56 Ų | 56 | 32.3 Ų | 32.3 | 24% | 0.243 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 147.6 | -175.3 | -59.4 | -176.7 | -168 | -122.8 | 0 | 113.4 | E239 A242 L262 D263 V268 | E239-K244 HydrophobicContact CB-CB 4.34Å; E239-K244 PolarHBondContact N-O 3.2Å; E239-K244 PolarHBondContact O-N 3.17Å; A242-K244 HydrophobicContact CB-CD 4.19Å; A242-K244 HydrophobicContact CB-CG 4.08Å; A242-K244 WeakPolarHBondContact O-CG 3.48Å; K244-L262 WeakPolarHBondContact CA-O 3.17Å; K244-D263 WeakPolarHBondContact CE-OD1 3.43Å; K244-D263 IonicContact NZ-OD1 3.8Å; K244-D263 PolarHBondContact NZ-OD1 3.37Å; K244-D263 IonicContact NZ-OD2 3.45Å; K244-V268 VanDerWaalsContact O-CG2 3.24Å; K244-V268 WeakPolarHBondContact O-CG2 3.09Å |
| 245 | I | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 122 | 160.2 | -63.4 | 175.9 | 0 | 0 | 0 | 107.7 | V237 S261 L262 F264 V268 I271 L280 V282 I307 | V237-I245 WeakPolarHBondContact O-CA 3.3Å; I245-S261 CarbonylContact O-C 3.56Å; I245-S261 VanDerWaalsContact O-CA 3.31Å; I245-S261 WeakPolarHBondContact O-CA 3.46Å; I245-L262 PolarHBondContact N-O 3.47Å; I245-L262 PolarHBondContact O-N 3.25Å; I245-F264 HydrophobicContact CB-CE2 3.85Å; I245-F264 HydrophobicContact CB-CZ 4.4Å; I245-F264 HydrophobicContact CD1-CE2 3.9Å; I245-F264 HydrophobicContact CD1-CZ 4Å; I245-F264 HydrophobicContact CG1-CD2 4.46Å; I245-F264 HydrophobicContact CG1-CE2 3.66Å; I245-F264 HydrophobicContact CG1-CZ 4.25Å; I245-V268 HydrophobicContact CD1-CB 4.42Å; I245-V268 HydrophobicContact CD1-CG1 4.26Å; I245-V268 HydrophobicContact CG1-CB 4.19Å; I245-V268 HydrophobicContact CG1-CG1 4.26Å; I245-V268 HydrophobicContact CG1-CG2 3.93Å; I245-I271 HydrophobicContact CD1-CD1 4.21Å; I245-I271 HydrophobicContact CD1-CG1 4.43Å; I245-I271 HydrophobicContact CG1-CD1 4.26Å; I245-I271 HydrophobicContact CG2-CD1 3.97Å; I245-L280 HydrophobicContact CD1-CD2 4.5Å; I245-L280 HydrophobicContact CG2-CD2 4.2Å; I245-V282 HydrophobicContact CD1-CG1 4.2Å; I245-V282 HydrophobicContact CD1-CG2 3.75Å; I245-I307 HydrophobicContact CD1-CD1 3.6Å |
| 246 | H | 98.9 | Very high | 98.8 | Very high | 30 Ų | 30 | 32.8 Ų | 32.8 | 14% | 0.139 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 137 | 175.6 | -64 | -91.3 | 0 | 0 | 0 | 110.1 | Y236 V237 E239 Y248 | Y236-H246 VanDerWaalsContact CA-O 3.3Å; Y236-H246 WeakPolarHBondContact CA-O 3.36Å; V237-H246 HydrophobicContact CB-CB 4.5Å; V237-H246 PolarHBondContact N-O 2.62Å; V237-H246 PolarHBondContact O-N 3.05Å; E239-H246 IonicContact OE2-CD2 2.53Å; E239-H246 IonicContact OE2-CE1 2.69Å; E239-H246 PolarHBondContact OE2-CE1 2.96Å; E239-H246 IonicContact OE2-NE2 2.8Å; E239-H246 PolarHBondContact OE2-NE2 3.35Å; H246-Y248 HydrophobicContact CB-CD2 4.07Å; H246-Y248 HydrophobicContact CB-CE2 3.38Å |
| 247 | V | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.006 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 123.5 | 171.4 | -173.5 | 0 | 0 | 0 | 0 | 108 | Y234 Y236 L259 K260 L262 I310 L311 | Y234-V247 HydrophobicContact CD1-CG1 4.21Å; Y236-V247 HydrophobicContact CD1-CB 4.5Å; Y236-V247 HydrophobicContact CD1-CG1 4.19Å; Y236-V247 HydrophobicContact CD1-CG2 4.14Å; Y236-V247 HydrophobicContact CE1-CG1 4Å; Y236-V247 HydrophobicContact CE1-CG2 4.37Å; V247-L259 HydrophobicContact CG1-CB 4.46Å; V247-L259 HydrophobicContact CG1-CD2 4.14Å; V247-L259 WeakPolarHBondContact O-CB 3.47Å; V247-L259 PolarHBondContact O-N 2.71Å; V247-K260 HydrophobicContact CB-CG 4.04Å; V247-K260 HydrophobicContact CG2-CG 4.03Å; V247-K260 PolarHBondContact N-O 3.04Å; V247-K260 PolarHBondContact O-N 3.46Å; V247-L262 HydrophobicContact CG2-CD1 4.29Å; V247-I310 HydrophobicContact CG2-CD1 3.75Å; V247-I310 HydrophobicContact CG2-CG1 3.92Å; V247-L311 HydrophobicContact CG1-CD2 4.01Å |
| 248 | Y | 98.9 | Very high | 98.7 | Very high | 14 Ų | 14 | 40.1 Ų | 40.1 | 6% | 0.055 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 138.1 | 175.2 | -66.9 | -95.2 | 0 | 0 | 0 | 110.3 | A217 Y234 V235 V237 H246 L256 T257 P258 | A217-Y248 HydrophobicContact CB-CE1 3.81Å; Y234-Y248 CarbonylContact C-O 3.51Å; Y234-Y248 WeakPolarHBondContact CA-O 3.13Å; V235-Y248 PolarHBondContact N-O 3.15Å; V235-Y248 PolarHBondContact O-N 3.05Å; V237-Y248 HydrophobicContact CB-CE2 4.23Å; V237-Y248 HydrophobicContact CG2-CD2 4.09Å; V237-Y248 HydrophobicContact CG2-CE2 3.91Å; H246-Y248 HydrophobicContact CB-CD2 4.07Å; H246-Y248 HydrophobicContact CB-CE2 3.38Å; Y248-L256 HydrophobicContact CD1-CB 3.87Å; Y248-L256 HydrophobicContact CG-CB 4.14Å; Y248-L256 HydrophobicContact CG-CD1 4.31Å; Y248-T257 CarbonylContact C-O 3.55Å; Y248-T257 VanDerWaalsContact CA-O 3.31Å; Y248-T257 WeakPolarHBondContact CA-O 3.19Å; Y248-P258 HydrophobicContact CD1-CB 4.34Å; Y248-P258 HydrophobicContact CD1-CG 4.24Å; Y248-P258 HydrophobicContact CE1-CB 4.12Å; Y248-P258 HydrophobicContact CE1-CG 3.84Å |
| 249 | E | 98.9 | Very high | 98.7 | Very high | 73 Ų | 73 | 43.8 Ų | 43.8 | 34% | 0.341 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 128.2 | 163 | -67.8 | -179.6 | 164.4 | 0 | 0 | 109.2 | Y234 H251 L256 T257 L259 | Y234-E249 HydrophobicContact CD1-CG 4.3Å; Y234-E249 HydrophobicContact CE1-CG 4.02Å; E249-H251 IonicContact OE2-CE1 3.52Å; E249-L256 WeakPolarHBondContact O-CA 3.47Å; E249-T257 PolarHBondContact N-O 2.71Å; E249-T257 PolarHBondContact O-N 3.39Å; E249-L259 HydrophobicContact CG-CB 4.29Å; E249-L259 HydrophobicContact CG-CD1 4.43Å; E249-L259 HydrophobicContact CG-CD2 4.19Å |
| 250 | K | 98.8 | Very high | 98.7 | Very high | 39 Ų | 39 | 45.8 Ų | 45.8 | 17% | 0.17 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 119.5 | 175.8 | -178.3 | -174.8 | 139.8 | -63 | 0 | 110.2 | Y179 I228 G232 K233 V235 L256 | Y179-K250 HydrophobicContact CE2-CD 3.91Å; Y179-K250 WeakPolarHBondContact OH-CG 3.24Å; I228-K250 HydrophobicContact CD1-CD 3.77Å; G232-K250 WeakPolarHBondContact O-CD 3.37Å; G232-K250 WeakPolarHBondContact O-CE 3.37Å; G232-K250 PolarHBondContact O-NZ 2.76Å; K233-K250 PolarHBondContact O-N 2.67Å; V235-K250 HydrophobicContact CG2-CB 4.22Å; V235-K250 HydrophobicContact CG2-CD 4.14Å; V235-K250 HydrophobicContact CG2-CG 4.49Å; K250-L256 HydrophobicContact CB-CD2 3.89Å; K250-L256 HydrophobicContact CG-CD2 4.05Å |
| 251 | H | 98.6 | Very high | 98.7 | Very high | 63 Ų | 63 | 47.8 Ų | 47.8 | 29% | 0.292 | 27% | 0.266 | S | S | . | . | P | Polyproline II helix | trans | -89.1 | 163.3 | -179.5 | -62.9 | -70.5 | 0 | 0 | 0 | 112.2 | E249 N253 W254 T255 T257 | E249-H251 IonicContact OE2-CE1 3.52Å; H251-N253 WeakPolarHBondContact CB-OD1 3.27Å; H251-N253 PolarHBondContact O-N 3.49Å; H251-W254 PolarHBondContact O-N 2.87Å; H251-T255 PolarHBondContact CD2-O 2.72Å; H251-T255 PolarHBondContact N-O 3.19Å; H251-T257 WeakPolarHBondContact NE2-CG2 3.46Å; H251-T257 PolarHBondContact NE2-OG1 3.16Å |
| 252 | A | 98.1 | Very high | 98.7 | Very high | 101 Ų | 101 | 48.5 Ų | 48.5 | 84% | 0.835 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -24.9 | -180 | 0 | 0 | 0 | 0 | 0 | 113.6 | W254 | A252-W254 VanDerWaalsContact C-N 3.26Š|
| 253 | N | 97.6 | Very high | 98.7 | Very high | 91 Ų | 91 | 52.2 Ų | 52.2 | 49% | 0.487 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | 14.2 | 173 | 68.4 | -16.1 | 0 | 0 | 0 | 112.5 | R214 H251 T255 | R214-N253 PolarHBondContact NH2-O 3.31Å; H251-N253 WeakPolarHBondContact CB-OD1 3.27Å; H251-N253 PolarHBondContact O-N 3.49Å; N253-T255 WeakPolarHBondContact ND2-CG2 3.25Å; N253-T255 PolarHBondContact ND2-OG1 3.08Å; N253-T255 PolarHBondContact O-N 2.83Å; N253-T255 PolarHBondContact OD1-N 3.14Å; N253-T255 PolarHBondContact OD1-OG1 2.95Å |
| 254 | W | 98.5 | Very high | 98.7 | Very high | 84 Ų | 84 | 52.8 Ų | 52.8 | 32% | 0.318 | 29% | 0.288 | S | S | . | . | S | Bend | trans | 65.2 | 14.2 | 179.3 | -39.9 | 100.4 | 0 | 0 | 0 | 115.5 | V173 Y179 Y207 R214 H251 A252 | V173-W254 HydrophobicContact CB-CZ3 4Å; V173-W254 HydrophobicContact CG2-CE3 4.2Å; V173-W254 HydrophobicContact CG2-CH2 4.42Å; V173-W254 HydrophobicContact CG2-CZ3 3.74Å; Y179-W254 VanDerWaalsContact OH-CA 3.3Å; Y179-W254 WeakPolarHBondContact OH-CA 3.02Å; Y179-W254 PolarHBondContact OH-O 3.15Å; Y207-W254 HydrophobicContact CD1-CB 3.93Å; Y207-W254 HydrophobicContact CD1-CG 4.46Å; Y207-W254 HydrophobicContact CD2-CB 3.96Å; Y207-W254 HydrophobicContact CD2-CG 4.46Å; Y207-W254 HydrophobicContact CE1-CB 3.77Å; Y207-W254 AromaticContact CE1-CD1 3.92Å; Y207-W254 AromaticContact CE1-CG 3.81Å; Y207-W254 HydrophobicContact CE1-CG 3.81Å; Y207-W254 HydrophobicContact CE2-CB 3.8Å; Y207-W254 AromaticContact CE2-CD2 3.84Å; Y207-W254 HydrophobicContact CE2-CD2 3.84Å; Y207-W254 AromaticContact CE2-CE3 3.87Å; Y207-W254 HydrophobicContact CE2-CE3 3.87Å; Y207-W254 AromaticContact CE2-CG 3.81Å; Y207-W254 HydrophobicContact CE2-CG 3.81Å; Y207-W254 HydrophobicContact CG-CB 4.01Å; Y207-W254 AromaticContact CZ-CD1 3.74Å; Y207-W254 AromaticContact CZ-CD2 3.71Å; Y207-W254 AromaticContact CZ-CG 3.43Å; Y207-W254 VanDerWaalsContact CZ-CG 3.43Å; Y207-W254 PolarHBondContact OH-NE1 3.39Å; R214-W254 PolarHBondContact NH1-O 3.22Å; H251-W254 PolarHBondContact O-N 2.87Å; A252-W254 VanDerWaalsContact C-N 3.26Å |
| 255 | T | 98.8 | Very high | 98.6 | Very high | 46 Ų | 46 | 54.7 Ų | 54.7 | 28% | 0.282 | 30% | 0.3 | S | S | . | . | trans | -81.1 | 153.2 | 169.7 | 58.5 | 0 | 0 | 0 | 0 | 110.2 | H251 N253 | H251-T255 PolarHBondContact CD2-O 2.72Å; H251-T255 PolarHBondContact N-O 3.19Å; N253-T255 WeakPolarHBondContact ND2-CG2 3.25Å; N253-T255 PolarHBondContact ND2-OG1 3.08Å; N253-T255 PolarHBondContact O-N 2.83Å; N253-T255 PolarHBondContact OD1-N 3.14Å; N253-T255 PolarHBondContact OD1-OG1 2.95Å | ||
| 256 | L | 98.9 | Very high | 98.6 | Very high | 14 Ų | 14 | 54.8 Ų | 54.8 | 7% | 0.073 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 138 | 175.5 | -60.4 | -172.4 | 0 | 0 | 0 | 109.7 | Y179 V216 V235 Y248 E249 K250 | Y179-L256 HydrophobicContact CD1-CD1 4.16Å; Y179-L256 HydrophobicContact CE1-CD1 4.13Å; Y179-L256 HydrophobicContact CE1-CD2 3.95Å; Y179-L256 HydrophobicContact CE1-CG 3.98Å; V216-L256 HydrophobicContact CB-CB 4.32Å; V216-L256 HydrophobicContact CB-CD1 4.24Å; V216-L256 HydrophobicContact CB-CG 4.05Å; V216-L256 HydrophobicContact CG2-CD1 3.68Å; V216-L256 HydrophobicContact CG2-CG 4.01Å; V235-L256 HydrophobicContact CB-CD1 4.21Å; V235-L256 HydrophobicContact CB-CD2 4.07Å; V235-L256 HydrophobicContact CG1-CD1 4.09Å; V235-L256 HydrophobicContact CG2-CD2 3.86Å; Y248-L256 HydrophobicContact CD1-CB 3.87Å; Y248-L256 HydrophobicContact CG-CB 4.14Å; Y248-L256 HydrophobicContact CG-CD1 4.31Å; E249-L256 WeakPolarHBondContact O-CA 3.47Å; K250-L256 HydrophobicContact CB-CD2 3.89Å; K250-L256 HydrophobicContact CG-CD2 4.05Å |
| 257 | T | 98.8 | Very high | 98.6 | Very high | 54 Ų | 54 | 53.4 Ų | 53.4 | 33% | 0.331 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 130.5 | 168.5 | 49.4 | 0 | 0 | 0 | 0 | 109.9 | Y248 E249 H251 L259 | Y248-T257 CarbonylContact C-O 3.55Å; Y248-T257 VanDerWaalsContact CA-O 3.31Å; Y248-T257 WeakPolarHBondContact CA-O 3.19Å; E249-T257 PolarHBondContact N-O 2.71Å; E249-T257 PolarHBondContact O-N 3.39Å; H251-T257 WeakPolarHBondContact NE2-CG2 3.46Å; H251-T257 PolarHBondContact NE2-OG1 3.16Å; T257-L259 PolarHBondContact O-N 3.08Å |
| 258 | P | 98.8 | Very high | 98.6 | Very high | 107 Ų | 107 | 53.3 Ų | 53.3 | 70% | 0.695 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -58.9 | 131.3 | 178.4 | -17.5 | 26.8 | 0 | 0 | 0 | 110.8 | Y248 | Y248-P258 HydrophobicContact CD1-CB 4.34Å; Y248-P258 HydrophobicContact CD1-CG 4.24Å; Y248-P258 HydrophobicContact CE1-CB 4.12Å; Y248-P258 HydrophobicContact CE1-CG 3.84Å |
| 259 | L | 98.6 | Very high | 98.6 | Very high | 78 Ų | 78 | 53 Ų | 53 | 41% | 0.408 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | -56.4 | 176.7 | -179.4 | 60.8 | 0 | 0 | 0 | 111.3 | Y234 V247 E249 T257 L311 | Y234-L259 HydrophobicContact CD1-CD2 4.18Å; Y234-L259 HydrophobicContact CE1-CD2 3.86Å; V247-L259 HydrophobicContact CG1-CB 4.46Å; V247-L259 HydrophobicContact CG1-CD2 4.14Å; V247-L259 WeakPolarHBondContact O-CB 3.47Å; V247-L259 PolarHBondContact O-N 2.71Å; E249-L259 HydrophobicContact CG-CB 4.29Å; E249-L259 HydrophobicContact CG-CD1 4.43Å; E249-L259 HydrophobicContact CG-CD2 4.19Å; T257-L259 PolarHBondContact O-N 3.08Å; L259-L311 HydrophobicContact CD2-CD2 3.9Å |
| 260 | K | 98.4 | Very high | 98.6 | Very high | 58 Ų | 58 | 49.5 Ų | 49.5 | 25% | 0.252 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.6 | 168.4 | 177.4 | 62.9 | -178.2 | -68 | -164 | 0 | 110.5 | V247 I310 T312 | V247-K260 HydrophobicContact CB-CG 4.04Å; V247-K260 HydrophobicContact CG2-CG 4.03Å; V247-K260 PolarHBondContact N-O 3.04Å; V247-K260 PolarHBondContact O-N 3.46Å; K260-I310 PolarHBondContact NZ-O 3.01Å; K260-T312 PolarHBondContact NZ-O 3.44Å |
| 261 | S | 98.4 | Very high | 98.6 | Very high | 47 Ų | 47 | 47.8 Ų | 47.8 | 33% | 0.329 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 152.9 | 167.4 | 61.8 | 0 | 0 | 0 | 0 | 110.2 | I245 | I245-S261 CarbonylContact O-C 3.56Å; I245-S261 VanDerWaalsContact O-CA 3.31Å; I245-S261 WeakPolarHBondContact O-CA 3.46Å |
| 262 | L | 98.8 | Very high | 98.6 | Very high | 16 Ų | 16 | 45.2 Ų | 45.2 | 8% | 0.084 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 132.5 | 168.3 | -73 | 71.7 | 0 | 0 | 0 | 107.7 | K244 I245 V247 F264 I307 I310 P315 | K244-L262 WeakPolarHBondContact CA-O 3.17Å; I245-L262 PolarHBondContact N-O 3.47Å; I245-L262 PolarHBondContact O-N 3.25Å; V247-L262 HydrophobicContact CG2-CD1 4.29Å; L262-F264 HydrophobicContact CB-CE1 4.47Å; L262-F264 HydrophobicContact CB-CE2 3.63Å; L262-F264 HydrophobicContact CB-CZ 3.54Å; L262-F264 HydrophobicContact CD2-CZ 4.02Å; L262-F264 HydrophobicContact CG-CZ 4.46Å; L262-F264 WeakPolarHBondContact O-CD2 3.5Å; L262-F264 VanDerWaalsContact O-CE2 3.25Å; L262-F264 WeakPolarHBondContact O-CE2 3.18Å; L262-I307 HydrophobicContact CD2-CG2 3.9Å; L262-I310 HydrophobicContact CD1-CD1 4.19Å; L262-I310 HydrophobicContact CD1-CG1 3.78Å; L262-I310 HydrophobicContact CD2-CD1 4.44Å; L262-I310 HydrophobicContact CD2-CG1 4.06Å; L262-P315 HydrophobicContact CD2-CB 3.92Å; L262-P315 HydrophobicContact CD2-CG 3.97Å; L262-P315 HydrophobicContact CG-CG 4.42Å |
| 263 | D | 98.6 | Very high | 98.7 | Very high | 109 Ų | 109 | 41.4 Ų | 41.4 | 58% | 0.583 | 23% | 0.225 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 140.3 | 175 | -59.4 | -91.3 | 0 | 0 | 0 | 110.3 | K244 | K244-D263 WeakPolarHBondContact CE-OD1 3.43Å; K244-D263 IonicContact NZ-OD1 3.8Å; K244-D263 PolarHBondContact NZ-OD1 3.37Å; K244-D263 IonicContact NZ-OD2 3.45Å |
| 264 | F | 98.7 | Very high | 98.7 | Very high | 28 Ų | 28 | 38.2 Ų | 38.2 | 12% | 0.123 | 21% | 0.208 | C | C | . | . | trans | -126 | 165.5 | -178.9 | -55.3 | -87.3 | 0 | 0 | 0 | 110.6 | H243 I245 L262 T266 V268 L305 I307 V317 | H243-F264 VanDerWaalsContact CB-O 3.25Å; H243-F264 WeakPolarHBondContact CB-O 3.48Å; H243-F264 WeakPolarHBondContact O-CD2 2.96Å; H243-F264 PolarHBondContact O-N 3.41Å; I245-F264 HydrophobicContact CB-CE2 3.85Å; I245-F264 HydrophobicContact CB-CZ 4.4Å; I245-F264 HydrophobicContact CD1-CE2 3.9Å; I245-F264 HydrophobicContact CD1-CZ 4Å; I245-F264 HydrophobicContact CG1-CD2 4.46Å; I245-F264 HydrophobicContact CG1-CE2 3.66Å; I245-F264 HydrophobicContact CG1-CZ 4.25Å; L262-F264 HydrophobicContact CB-CE1 4.47Å; L262-F264 HydrophobicContact CB-CE2 3.63Å; L262-F264 HydrophobicContact CB-CZ 3.54Å; L262-F264 HydrophobicContact CD2-CZ 4.02Å; L262-F264 HydrophobicContact CG-CZ 4.46Å; L262-F264 WeakPolarHBondContact O-CD2 3.5Å; L262-F264 VanDerWaalsContact O-CE2 3.25Å; L262-F264 WeakPolarHBondContact O-CE2 3.18Å; F264-T266 VanDerWaalsContact C-N 3.34Å; F264-T266 HydrophobicContact CB-CG2 4.09Å; F264-V268 HydrophobicContact CB-CG1 4.31Å; F264-V268 HydrophobicContact CD2-CG1 3.74Å; F264-V268 HydrophobicContact CE2-CG1 4.25Å; F264-V268 HydrophobicContact CG-CG1 3.99Å; F264-L305 HydrophobicContact CD1-CD1 3.76Å; F264-L305 HydrophobicContact CE1-CD1 4.15Å; F264-L305 HydrophobicContact CG-CD1 4.48Å; F264-I307 HydrophobicContact CE1-CD1 3.92Å; F264-I307 HydrophobicContact CE1-CG1 4.39Å; F264-I307 HydrophobicContact CZ-CD1 3.62Å; F264-I307 HydrophobicContact CZ-CG1 4.49Å; F264-V317 HydrophobicContact CD1-CG1 4.37Å; F264-V317 HydrophobicContact CE1-CG1 4.01Å; F264-V317 HydrophobicContact CE1-CG2 4.08Å | ||
| 265 | N | 98.3 | Very high | 98.7 | Very high | 95 Ų | 95 | 38.6 Ų | 38.6 | 51% | 0.508 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -104.1 | 40.6 | 172.1 | -172.3 | 23.5 | 0 | 0 | 0 | 110.8 | N29 R32 | N29-N265 PolarHBondContact ND2-O 3.38Å; N29-N265 PolarHBondContact OD1-OD1 2.83Å; R32-N265 PolarHBondContact NH1-ND2 3.08Å; R32-N265 PolarHBondContact NH1-O 2.86Å |
| 266 | T | 98.8 | Very high | 98.6 | Very high | 3 Ų | 3 | 45 Ų | 45 | 2% | 0.018 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -158.2 | 153.5 | -176.9 | -161.9 | 0 | 0 | 0 | 0 | 109.1 | H243 F264 V268 C284 H285 P286 E303 L305 | H243-T266 WeakPolarHBondContact CB-O 3.39Å; F264-T266 VanDerWaalsContact C-N 3.34Å; F264-T266 HydrophobicContact CB-CG2 4.09Å; T266-V268 HydrophobicContact CG2-CG1 4.11Å; T266-V268 PolarHBondContact O-N 3.26Å; T266-C284 HydrophobicContact CG2-CB 3.66Å; T266-C284 WeakPolarHBondContact OG1-CB 3.43Å; T266-H285 PolarHBondContact OG1-O 2.89Å; T266-P286 WeakPolarHBondContact OG1-CA 3.44Å; T266-E303 WeakPolarHBondContact CB-OE2 3.32Å; T266-E303 VanDerWaalsContact CG2-OE2 3.28Å; T266-E303 WeakPolarHBondContact CG2-OE2 3.36Å; T266-E303 PolarHBondContact OG1-OE2 2.98Å; T266-L305 HydrophobicContact CG2-CD1 3.98Å |
| 267 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 107.1 | 174.5 | -70.5 | 72 | 0 | 0 | 0 | 107.4 | N29 L240 L241 H243 C284 H285 F292 | N29-L267 HydrophobicContact CB-CD1 3.55Å; L240-L267 HydrophobicContact CD1-CB 3.64Å; L240-L267 HydrophobicContact CD1-CD2 4.47Å; L240-L267 HydrophobicContact CG-CB 4.15Å; L240-L267 HydrophobicContact CG-CD2 4.27Å; L240-L267 WeakPolarHBondContact O-CB 3.46Å; L240-L267 WeakPolarHBondContact O-CG 3.15Å; L241-L267 HydrophobicContact CD2-CD2 3.98Å; H243-L267 VanDerWaalsContact NE2-CD1 3.34Å; H243-L267 WeakPolarHBondContact NE2-CD1 3.2Å; L267-C284 CarbonylContact O-C 3.58Å; L267-C284 VanDerWaalsContact O-CA 3.31Å; L267-C284 WeakPolarHBondContact O-CA 3.25Å; L267-H285 HydrophobicContact CB-CB 4.1Å; L267-H285 WeakPolarHBondContact CB-O 3.2Å; L267-H285 WeakPolarHBondContact CD1-O 3.28Å; L267-H285 PolarHBondContact N-O 3.17Å; L267-H285 PolarHBondContact O-N 3.42Å; L267-F292 HydrophobicContact CD2-CE2 4.18Å |
| 268 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 128 | 179 | -71.1 | 0 | 0 | 0 | 0 | 110.3 | A238 L240 K244 I245 F264 T266 V282 | A238-V268 HydrophobicContact CB-CB 4.43Å; A238-V268 HydrophobicContact CB-CG2 4.05Å; L240-V268 WeakPolarHBondContact CA-O 3.47Å; L240-V268 WeakPolarHBondContact CD1-O 3.31Å; K244-V268 VanDerWaalsContact O-CG2 3.24Å; K244-V268 WeakPolarHBondContact O-CG2 3.09Å; I245-V268 HydrophobicContact CD1-CB 4.42Å; I245-V268 HydrophobicContact CD1-CG1 4.26Å; I245-V268 HydrophobicContact CG1-CB 4.19Å; I245-V268 HydrophobicContact CG1-CG1 4.26Å; I245-V268 HydrophobicContact CG1-CG2 3.93Å; F264-V268 HydrophobicContact CB-CG1 4.31Å; F264-V268 HydrophobicContact CD2-CG1 3.74Å; F264-V268 HydrophobicContact CE2-CG1 4.25Å; F264-V268 HydrophobicContact CG-CG1 3.99Å; T266-V268 HydrophobicContact CG2-CG1 4.11Å; T266-V268 PolarHBondContact O-N 3.26Å; V268-V282 HydrophobicContact CB-CG1 4.01Å; V268-V282 HydrophobicContact CG1-CG1 4.12Å |
| 269 | D | 98.9 | Very high | 98.6 | Very high | 6 Ų | 6 | 41.9 Ų | 41.9 | 3% | 0.032 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | -112.8 | -172.6 | -149.8 | 30.7 | 0 | 0 | 0 | 110.2 | N224 G225 A238 L240 G283 H285 T332 | N224-D269 PolarHBondContact ND2-OD1 2.81Å; N224-D269 VanDerWaalsContact OD1-C 3.25Å; N224-D269 PolarHBondContact OD1-O 2.82Å; N224-D269 PolarHBondContact OD1-OD1 3.02Å; G225-D269 WeakPolarHBondContact CA-O 3.25Å; G225-D269 PolarHBondContact N-O 3.36Å; A238-D269 WeakPolarHBondContact CB-O 3.28Å; L240-D269 HydrophobicContact CD1-CB 4.21Å; D269-G283 WeakPolarHBondContact CB-O 3.34Å; D269-G283 PolarHBondContact N-O 2.99Å; D269-H285 IonicContact OD1-NE2 3.03Å; D269-H285 IonicContact OD2-CD2 3.77Å; D269-H285 IonicContact OD2-CE1 2.68Å; D269-H285 IonicContact OD2-NE2 3.71Å; D269-H285 PolarHBondContact OD2-NE2 3.3Å; D269-T332 WeakPolarHBondContact OD2-CA 2.97Å; D269-T332 VanDerWaalsContact OD2-CB 3.32Å; D269-T332 WeakPolarHBondContact OD2-CB 3.4Å; D269-T332 WeakPolarHBondContact OD2-CG2 3.21Å |
| 270 | N | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 144.4 | -179.7 | -63.8 | -33.2 | 0 | 0 | 0 | 112.5 | E53 N224 V282 G283 T332 V333 | E53-N270 PolarHBondContact O-ND2 2.95Å; E53-N270 PolarHBondContact OE1-ND2 3.4Å; N224-N270 PolarHBondContact OD1-OD1 2.95Å; N224-N270 VanDerWaalsContact OD1-OD1 3.06Å; N270-V282 WeakPolarHBondContact O-CA 3.41Å; N270-G283 PolarHBondContact O-N 2.85Å; N270-T332 WeakPolarHBondContact CA-O 3.38Å; N270-T332 WeakPolarHBondContact CB-O 3.21Å; N270-T332 PolarHBondContact N-O 2.94Å; N270-V333 HydrophobicContact CB-CB 3.87Å; N270-V333 HydrophobicContact CB-CG2 4.08Å |
| 271 | I | 98.9 | Very high | 98.6 | Very high | 4 Ų | 4 | 36 Ų | 36 | 2% | 0.021 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 116.6 | -178.8 | -58.9 | 173.2 | 0 | 0 | 0 | 108.8 | N227 A238 I245 V273 L280 V282 | N227-I271 HydrophobicContact CB-CB 4.24Å; N227-I271 HydrophobicContact CB-CG2 3.97Å; N227-I271 WeakPolarHBondContact CB-O 3.42Å; N227-I271 PolarHBondContact ND2-O 3.22Å; A238-I271 HydrophobicContact CB-CD1 3.96Å; A238-I271 HydrophobicContact CB-CG1 4.21Å; I245-I271 HydrophobicContact CD1-CD1 4.21Å; I245-I271 HydrophobicContact CD1-CG1 4.43Å; I245-I271 HydrophobicContact CG1-CD1 4.26Å; I245-I271 HydrophobicContact CG2-CD1 3.97Å; I271-V273 HydrophobicContact CG2-CG2 4.38Å; I271-L280 HydrophobicContact CG2-CB 4.22Å; I271-L280 HydrophobicContact CG2-CD2 3.64Å; I271-L280 HydrophobicContact CG2-CG 3.7Å; I271-V282 HydrophobicContact CG1-CG2 4.44Å |
| 272 | S | 98.9 | Very high | 98.6 | Very high | 8 Ų | 8 | 33.7 Ų | 33.7 | 6% | 0.056 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 149.6 | 162.8 | -69.5 | 0 | 0 | 0 | 0 | 110.5 | L280 W281 A334 | S272-L280 CarbonylContact O-C 3.55Å; S272-L280 WeakPolarHBondContact O-CA 3.31Å; S272-W281 PolarHBondContact N-O 2.89Å; S272-W281 PolarHBondContact O-N 3.24Å; S272-A334 WeakPolarHBondContact CB-O 3.48Å; S272-A334 PolarHBondContact OG-O 2.8Å |
| 273 | V | 98.9 | Very high | 98.6 | Very high | 21 Ų | 21 | 33 Ų | 33 | 13% | 0.127 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 124.2 | 176.6 | 177.1 | 0 | 0 | 0 | 0 | 108.6 | N227 P230 Y236 I271 P275 L280 | N227-V273 HydrophobicContact CB-CG2 3.74Å; P230-V273 HydrophobicContact CG-CG1 4.12Å; Y236-V273 HydrophobicContact CD2-CG2 3.94Å; Y236-V273 HydrophobicContact CE2-CG2 3.96Å; I271-V273 HydrophobicContact CG2-CG2 4.38Å; V273-P275 WeakPolarHBondContact O-CD 3.26Å; V273-L280 HydrophobicContact CG2-CD1 4.4Å; V273-L280 HydrophobicContact CG2-CG 4.29Å |
| 274 | D | 98.7 | Very high | 98.7 | Very high | 25 Ų | 25 | 27.8 Ų | 27.8 | 13% | 0.134 | 15% | 0.154 | C | C | . | . | trans | -70.3 | 118.9 | 172.9 | 170.2 | 26.6 | 0 | 0 | 0 | 109.6 | E276 T277 G278 D279 V336 | D274-E276 PolarHBondContact O-N 3.1Å; D274-E276 PolarHBondContact OD1-N 3.17Å; D274-E276 VanDerWaalsContact OD1-N 3.12Å; D274-T277 VanDerWaalsContact OD2-CB 3.31Å; D274-T277 WeakPolarHBondContact OD2-CB 3.31Å; D274-T277 VanDerWaalsContact OD2-CG2 3.24Å; D274-T277 WeakPolarHBondContact OD2-CG2 3.24Å; D274-T277 PolarHBondContact OD2-N 2.8Å; D274-T277 PolarHBondContact OD2-OG1 3.05Å; D274-G278 VanDerWaalsContact O-CA 3.25Å; D274-G278 WeakPolarHBondContact O-CA 3.37Å; D274-G278 PolarHBondContact O-N 3.21Å; D274-D279 PolarHBondContact N-O 3.31Å; D274-V336 HydrophobicContact CB-CG2 4.49Å | ||
| 275 | P | 97.6 | Very high | 98.7 | Very high | 92 Ų | 92 | 26.7 Ų | 26.7 | 60% | 0.597 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -22.8 | -177.5 | 27.4 | -36.2 | 0 | 0 | 0 | 113.5 | V273 | V273-P275 WeakPolarHBondContact O-CD 3.26Š|
| 276 | E | 97 | Very high | 98.7 | Very high | 180 Ų | 180 | 22.2 Ų | 22.2 | 84% | 0.841 | 13% | 0.125 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -42.7 | -178.7 | -65.4 | -168.5 | 174.2 | 0 | 0 | 112.4 | D274 | D274-E276 PolarHBondContact O-N 3.1Å; D274-E276 PolarHBondContact OD1-N 3.17Å; D274-E276 VanDerWaalsContact OD1-N 3.12Å |
| 277 | T | 98.1 | Very high | 98.7 | Very high | 83 Ų | 83 | 22.5 Ų | 22.5 | 51% | 0.509 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | -25.2 | -174.8 | 63.2 | 0 | 0 | 0 | 0 | 114 | D274 D279 | D274-T277 VanDerWaalsContact OD2-CB 3.31Å; D274-T277 WeakPolarHBondContact OD2-CB 3.31Å; D274-T277 VanDerWaalsContact OD2-CG2 3.24Å; D274-T277 WeakPolarHBondContact OD2-CG2 3.24Å; D274-T277 PolarHBondContact OD2-N 2.8Å; D274-T277 PolarHBondContact OD2-OG1 3.05Å; T277-D279 VanDerWaalsContact OG1-CB 3.27Å; T277-D279 WeakPolarHBondContact OG1-CB 3.46Å; T277-D279 VanDerWaalsContact OG1-CG 3.25Å; T277-D279 PolarHBondContact OG1-N 3.09Å; T277-D279 VanDerWaalsContact OG1-N 3.08Å |
| 278 | G | 98.6 | Very high | 98.6 | Very high | 16 Ų | 16 | 22.5 Ų | 22.5 | 17% | 0.165 | 13% | 0.127 | C | C | . | . | trans | 74.6 | 9.5 | -166.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | D274 | D274-G278 VanDerWaalsContact O-CA 3.25Å; D274-G278 WeakPolarHBondContact O-CA 3.37Å; D274-G278 PolarHBondContact O-N 3.21Å | ||
| 279 | D | 98.9 | Very high | 98.6 | Very high | 11 Ų | 11 | 25.9 Ų | 25.9 | 6% | 0.059 | 14% | 0.143 | C | C | . | . | trans | -65.4 | 141 | 173.9 | -72.4 | -9.7 | 0 | 0 | 0 | 110.2 | D274 T277 Q306 I307 Q308 | D274-D279 PolarHBondContact N-O 3.31Å; T277-D279 VanDerWaalsContact OG1-CB 3.27Å; T277-D279 WeakPolarHBondContact OG1-CB 3.46Å; T277-D279 VanDerWaalsContact OG1-CG 3.25Å; T277-D279 PolarHBondContact OG1-N 3.09Å; T277-D279 VanDerWaalsContact OG1-N 3.08Å; D279-Q306 HydrophobicContact CB-CG 4.42Å; D279-Q306 PolarHBondContact OD2-NE2 3.18Å; D279-I307 WeakPolarHBondContact CA-O 3.44Å; D279-Q308 VanDerWaalsContact OD1-CA 3.32Å; D279-Q308 WeakPolarHBondContact OD1-CA 3.42Å; D279-Q308 WeakPolarHBondContact OD1-CB 3.34Å; D279-Q308 WeakPolarHBondContact OD2-CG 3.27Å; D279-Q308 PolarHBondContact OD2-NE2 3.2Å | ||
| 280 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 136.9 | 173 | -78.8 | 63.7 | 0 | 0 | 0 | 109.6 | Y236 I245 I271 S272 V273 V282 Q306 I307 I310 | Y236-L280 HydrophobicContact CD1-CD2 4.27Å; Y236-L280 HydrophobicContact CD2-CD1 3.91Å; Y236-L280 HydrophobicContact CD2-CD2 4.06Å; Y236-L280 HydrophobicContact CD2-CG 4.14Å; Y236-L280 HydrophobicContact CE1-CD1 4.32Å; Y236-L280 HydrophobicContact CE2-CD1 3.65Å; Y236-L280 HydrophobicContact CE2-CG 4.36Å; Y236-L280 HydrophobicContact CG-CD1 4.33Å; Y236-L280 HydrophobicContact CG-CD2 3.86Å; Y236-L280 HydrophobicContact CG-CG 4.43Å; I245-L280 HydrophobicContact CD1-CD2 4.5Å; I245-L280 HydrophobicContact CG2-CD2 4.2Å; I271-L280 HydrophobicContact CG2-CB 4.22Å; I271-L280 HydrophobicContact CG2-CD2 3.64Å; I271-L280 HydrophobicContact CG2-CG 3.7Å; S272-L280 CarbonylContact O-C 3.55Å; S272-L280 WeakPolarHBondContact O-CA 3.31Å; V273-L280 HydrophobicContact CG2-CD1 4.4Å; V273-L280 HydrophobicContact CG2-CG 4.29Å; L280-V282 HydrophobicContact CB-CG2 4.2Å; L280-Q306 CarbonylContact O-C 3.59Å; L280-Q306 WeakPolarHBondContact O-CA 3.3Å; L280-I307 HydrophobicContact CB-CB 4.19Å; L280-I307 HydrophobicContact CB-CD1 4.35Å; L280-I307 PolarHBondContact N-O 3.36Å; L280-I307 PolarHBondContact O-N 2.96Å; L280-I310 HydrophobicContact CD1-CD1 4.21Å; L280-I310 HydrophobicContact CD2-CD1 3.79Å |
| 281 | W | 98.9 | Very high | 98.4 | Very high | 11 Ų | 11 | 26.8 Ų | 26.8 | 4% | 0.042 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 123.2 | 169.8 | -69.8 | 85.3 | 0 | 0 | 0 | 108.6 | S272 V304 L305 Q306 V320 A334 V336 L341 L355 | S272-W281 PolarHBondContact N-O 2.89Å; S272-W281 PolarHBondContact O-N 3.24Å; W281-V304 HydrophobicContact CE3-CG1 3.95Å; W281-V304 HydrophobicContact CZ3-CG1 4.32Å; W281-L305 WeakPolarHBondContact CA-O 3.36Å; W281-Q306 HydrophobicContact CD2-CB 4.33Å; W281-Q306 HydrophobicContact CD2-CG 4.32Å; W281-Q306 HydrophobicContact CE3-CB 4.23Å; W281-Q306 HydrophobicContact CH2-CB 4.08Å; W281-Q306 HydrophobicContact CH2-CG 4.17Å; W281-Q306 HydrophobicContact CZ2-CB 4.16Å; W281-Q306 HydrophobicContact CZ2-CG 3.76Å; W281-Q306 HydrophobicContact CZ3-CB 4.12Å; W281-V320 HydrophobicContact CH2-CG1 4.25Å; W281-V320 HydrophobicContact CH2-CG2 4.06Å; W281-V320 HydrophobicContact CZ3-CB 4.04Å; W281-V320 HydrophobicContact CZ3-CG1 3.9Å; W281-V320 HydrophobicContact CZ3-CG2 3.76Å; W281-A334 WeakPolarHBondContact CB-O 3.34Å; W281-V336 HydrophobicContact CD2-CG1 3.62Å; W281-V336 HydrophobicContact CD2-CG2 4.34Å; W281-V336 VanDerWaalsContact CE2-CG1 3.48Å; W281-V336 HydrophobicContact CE3-CG1 3.78Å; W281-V336 HydrophobicContact CG-CG1 4.31Å; W281-V336 HydrophobicContact CG-CG2 4.48Å; W281-V336 HydrophobicContact CH2-CG1 3.69Å; W281-V336 HydrophobicContact CZ2-CB 4.4Å; W281-V336 HydrophobicContact CZ2-CG1 3.54Å; W281-V336 HydrophobicContact CZ2-CG2 4.1Å; W281-V336 HydrophobicContact CZ3-CG1 3.8Å; W281-L341 HydrophobicContact CE3-CD1 3.88Å; W281-L341 HydrophobicContact CZ3-CD1 3.9Å; W281-L355 HydrophobicContact CH2-CD1 4.06Å; W281-L355 HydrophobicContact CH2-CD2 4.23Å; W281-L355 HydrophobicContact CZ3-CD2 4.48Å |
| 282 | V | 99 | Very high | 98.3 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 121.7 | -165.9 | -170.2 | 0 | 0 | 0 | 0 | 109.4 | I245 V268 N270 I271 L280 V304 L305 I307 | I245-V282 HydrophobicContact CD1-CG1 4.2Å; I245-V282 HydrophobicContact CD1-CG2 3.75Å; V268-V282 HydrophobicContact CB-CG1 4.01Å; V268-V282 HydrophobicContact CG1-CG1 4.12Å; N270-V282 WeakPolarHBondContact O-CA 3.41Å; I271-V282 HydrophobicContact CG1-CG2 4.44Å; L280-V282 HydrophobicContact CB-CG2 4.2Å; V282-V304 WeakPolarHBondContact O-CA 3.45Å; V282-L305 HydrophobicContact CB-CB 4.42Å; V282-L305 PolarHBondContact N-O 3.16Å; V282-L305 PolarHBondContact O-N 2.86Å; V282-I307 HydrophobicContact CG2-CD1 3.94Å |
| 283 | G | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 138.8 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | D269 N270 T332 | D269-G283 WeakPolarHBondContact CB-O 3.34Å; D269-G283 PolarHBondContact N-O 2.99Å; N270-G283 PolarHBondContact O-N 2.85Å; G283-T332 CarbonylContact C-O 3.55Å; G283-T332 VanDerWaalsContact CA-O 3.27Å; G283-T332 WeakPolarHBondContact CA-O 3.23Å |
| 284 | C | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 154 | -171.2 | -56.4 | 0 | 0 | 0 | 0 | 111.9 | T266 L267 P286 E303 S331 | T266-C284 HydrophobicContact CG2-CB 3.66Å; T266-C284 WeakPolarHBondContact OG1-CB 3.43Å; L267-C284 CarbonylContact O-C 3.58Å; L267-C284 VanDerWaalsContact O-CA 3.31Å; L267-C284 WeakPolarHBondContact O-CA 3.25Å; C284-P286 WeakPolarHBondContact O-CD 3.37Å; C284-E303 HydrophobicContact CB-CB 4.11Å; C284-E303 HydrophobicContact CB-CG 4.34Å; C284-E303 PolarHBondContact N-O 3.48Å; C284-S331 CarbonylContact C-O 3.58Å; C284-S331 PolarHBondContact N-O 3.37Å; C284-S331 VanDerWaalsContact O-O 3.1Å; C284-S331 PolarHBondContact O-OG 3.48Å |
| 285 | H | 98.8 | Very high | 98.1 | Very high | 5 Ų | 5 | 37.1 Ų | 37.1 | 2% | 0.023 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 102.9 | 169.7 | -56 | -66.3 | 0 | 0 | 0 | 110 | T266 L267 D269 N287 V291 S331 | T266-H285 PolarHBondContact OG1-O 2.89Å; L267-H285 HydrophobicContact CB-CB 4.1Å; L267-H285 WeakPolarHBondContact CB-O 3.2Å; L267-H285 WeakPolarHBondContact CD1-O 3.28Å; L267-H285 PolarHBondContact N-O 3.17Å; L267-H285 PolarHBondContact O-N 3.42Å; D269-H285 IonicContact OD1-NE2 3.03Å; D269-H285 IonicContact OD2-CD2 3.77Å; D269-H285 IonicContact OD2-CE1 2.68Å; D269-H285 IonicContact OD2-NE2 3.71Å; D269-H285 PolarHBondContact OD2-NE2 3.3Å; H285-N287 PolarHBondContact O-N 2.85Å; H285-N287 VanDerWaalsContact O-N 3.15Å; H285-V291 HydrophobicContact CB-CG2 3.84Å; H285-V291 WeakPolarHBondContact ND1-CG2 3.35Å; H285-S331 PolarHBondContact CE1-O 2.9Å |
| 286 | P | 98.7 | Very high | 98 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.006 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -58.7 | -33 | -179.2 | -31.1 | 39.6 | 0 | 0 | 0 | 113.5 | N29 R32 V34 T266 C284 A301 E303 | N29-P286 WeakPolarHBondContact CB-O 3.45Å; N29-P286 PolarHBondContact ND2-O 3.37Å; R32-P286 VanDerWaalsContact CB-O 3.25Å; R32-P286 WeakPolarHBondContact CB-O 3.48Å; R32-P286 HydrophobicContact CG-CB 4.16Å; R32-P286 VanDerWaalsContact CG-O 3.28Å; R32-P286 WeakPolarHBondContact CG-O 3.25Å; V34-P286 HydrophobicContact CG2-CB 3.4Å; V34-P286 VanDerWaalsContact CG2-CB 3.4Å; V34-P286 HydrophobicContact CG2-CG 3.51Å; T266-P286 WeakPolarHBondContact OG1-CA 3.44Å; C284-P286 WeakPolarHBondContact O-CD 3.37Å; P286-A301 HydrophobicContact CB-CB 4.5Å; P286-A301 HydrophobicContact CG-CB 4.15Å; P286-E303 HydrophobicContact CG-CB 3.57Å; P286-E303 HydrophobicContact CG-CG 4.44Å |
| 287 | N | 98.6 | Very high | 98.1 | Very high | 10 Ų | 10 | 35.8 Ų | 35.8 | 5% | 0.053 | 19% | 0.186 | C | C | . | . | trans | -137.3 | 104 | -178.4 | -169.7 | -41.1 | 0 | 0 | 0 | 110.3 | A30 R32 H285 M289 K290 | A30-N287 PolarHBondContact O-ND2 3.17Å; R32-N287 PolarHBondContact O-ND2 2.76Å; H285-N287 PolarHBondContact O-N 2.85Å; H285-N287 VanDerWaalsContact O-N 3.15Å; N287-M289 PolarHBondContact O-N 3.28Å; N287-M289 VanDerWaalsContact OD1-CB 3.3Å; N287-M289 WeakPolarHBondContact OD1-CB 3.18Å; N287-M289 PolarHBondContact OD1-N 2.91Å; N287-M289 VanDerWaalsContact OD1-N 3.09Å; N287-K290 HydrophobicContact CB-CD 4.47Å; N287-K290 HydrophobicContact CB-CG 4.23Å; N287-K290 PolarHBondContact O-N 3.3Å | ||
| 288 | G | 97.9 | Very high | 98 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.9 | -29 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | L28 K290 V291 F292 | L28-G288 WeakPolarHBondContact O-CA 3.38Å; L28-G288 PolarHBondContact O-N 3.44Å; G288-K290 VanDerWaalsContact C-N 3.26Å; G288-K290 PolarHBondContact O-N 3.5Å; G288-V291 PolarHBondContact O-N 3.49Å; G288-F292 WeakPolarHBondContact O-CD2 3.49Å; G288-F292 PolarHBondContact O-N 2.97Å |
| 289 | M | 97.7 | Very high | 98 | Very high | 70 Ų | 70 | 35.7 Ų | 35.7 | 35% | 0.345 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -58.9 | -39.7 | 176.2 | -69.3 | -69.8 | -56.7 | 0 | 0 | 111.7 | L28 A30 N287 V291 F293 | L28-M289 HydrophobicContact CB-CG 4.17Å; L28-M289 HydrophobicContact CB-SD 4.29Å; L28-M289 HydrophobicContact CD1-CG 4.3Å; L28-M289 HydrophobicContact CD1-SD 3.41Å; L28-M289 WeakPolarHBondContact CD1-SD 3.46Å; A30-M289 HydrophobicContact CB-CG 3.51Å; N287-M289 PolarHBondContact O-N 3.28Å; N287-M289 VanDerWaalsContact OD1-CB 3.3Å; N287-M289 WeakPolarHBondContact OD1-CB 3.18Å; N287-M289 PolarHBondContact OD1-N 2.91Å; N287-M289 VanDerWaalsContact OD1-N 3.09Å; M289-V291 VanDerWaalsContact C-N 3.31Å; M289-V291 PolarHBondContact O-N 3.06Å; M289-F293 HydrophobicContact CE-CD2 3.7Å; M289-F293 HydrophobicContact CE-CE2 4.08Å; M289-F293 WeakPolarHBondContact O-CA 3.36Å; M289-F293 VanDerWaalsContact O-CB 3.31Å; M289-F293 WeakPolarHBondContact O-CB 2.91Å; M289-F293 PolarHBondContact O-N 3.46Å; M289-F293 HydrophobicContact SD-CD2 3.96Å; M289-F293 HydrophobicContact SD-CE2 3.96Å |
| 290 | K | 98.1 | Very high | 97.9 | Very high | 18 Ų | 18 | 35.2 Ų | 35.2 | 8% | 0.078 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -73.3 | -24 | -177.5 | -55.9 | -167.5 | -169.1 | -169.7 | 0 | 112.9 | E33 N287 G288 N298 P299 P300 | E33-K290 IonicContact OE1-NZ 3.99Å; E33-K290 IonicContact OE2-NZ 3.96Å; E33-K290 PolarHBondContact OE2-NZ 3.45Å; N287-K290 HydrophobicContact CB-CD 4.47Å; N287-K290 HydrophobicContact CB-CG 4.23Å; N287-K290 PolarHBondContact O-N 3.3Å; G288-K290 VanDerWaalsContact C-N 3.26Å; G288-K290 PolarHBondContact O-N 3.5Å; K290-N298 VanDerWaalsContact CE-OD1 3.27Å; K290-N298 WeakPolarHBondContact CE-OD1 3.2Å; K290-N298 PolarHBondContact NZ-OD1 2.96Å; K290-P299 WeakPolarHBondContact CD-O 3.5Å; K290-P300 HydrophobicContact CB-CB 3.98Å |
| 291 | V | 96.8 | Very high | 97.9 | Very high | 7 Ų | 7 | 35.6 Ų | 35.6 | 4% | 0.042 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -85.3 | -51.4 | 178.8 | 179.7 | 0 | 0 | 0 | 0 | 110.9 | H285 G288 M289 P300 V346 | H285-V291 HydrophobicContact CB-CG2 3.84Å; H285-V291 WeakPolarHBondContact ND1-CG2 3.35Å; G288-V291 PolarHBondContact O-N 3.49Å; M289-V291 VanDerWaalsContact C-N 3.31Å; M289-V291 PolarHBondContact O-N 3.06Å; V291-P300 HydrophobicContact CB-CB 4.47Å; V291-P300 HydrophobicContact CG2-CB 3.49Å; V291-P300 VanDerWaalsContact CG2-CB 3.49Å; V291-P300 HydrophobicContact CG2-CG 4.32Å; V291-V346 HydrophobicContact CG1-CG2 4.48Å |
| 292 | F | 97 | Very high | 97.9 | Very high | 31 Ų | 31 | 35 Ų | 35 | 14% | 0.136 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -75 | -25.5 | -178.4 | -67.1 | -65.6 | 0 | 0 | 0 | 113.2 | L28 I74 M196 F222 L240 L241 L267 G288 | L28-F292 HydrophobicContact CD2-CD2 3.64Å; L28-F292 HydrophobicContact CD2-CE2 3.84Å; I74-F292 HydrophobicContact CD1-CD1 3.77Å; I74-F292 HydrophobicContact CD1-CE1 4.07Å; M196-F292 HydrophobicContact SD-CE1 4.3Å; M196-F292 HydrophobicContact SD-CZ 4.46Å; F222-F292 HydrophobicContact CE2-CE1 4.3Å; F222-F292 HydrophobicContact CE2-CZ 4.31Å; F222-F292 HydrophobicContact CZ-CE1 4.45Å; L240-F292 HydrophobicContact CD2-CZ 3.93Å; L241-F292 HydrophobicContact CD2-CE2 4.06Å; L241-F292 HydrophobicContact CD2-CZ 4.48Å; L267-F292 HydrophobicContact CD2-CE2 4.18Å; G288-F292 WeakPolarHBondContact O-CD2 3.49Å; G288-F292 PolarHBondContact O-N 2.97Å |
| 293 | F | 96.8 | Very high | 97.9 | Very high | 107 Ų | 107 | 35.3 Ų | 35.3 | 47% | 0.469 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -125.1 | 66.2 | 178.7 | -51.7 | -77.7 | 0 | 0 | 0 | 110.1 | Y24 L28 M289 D295 | Y24-F293 WeakPolarHBondContact OH-CZ 3.42Å; L28-F293 HydrophobicContact CD1-CE2 4.18Å; M289-F293 HydrophobicContact CE-CD2 3.7Å; M289-F293 HydrophobicContact CE-CE2 4.08Å; M289-F293 WeakPolarHBondContact O-CA 3.36Å; M289-F293 VanDerWaalsContact O-CB 3.31Å; M289-F293 WeakPolarHBondContact O-CB 2.91Å; M289-F293 PolarHBondContact O-N 3.46Å; M289-F293 HydrophobicContact SD-CD2 3.96Å; M289-F293 HydrophobicContact SD-CE2 3.96Å; F293-D295 PolarHBondContact O-N 3.2Å |
| 294 | Y | 97.8 | Very high | 97.9 | Very high | 60 Ų | 60 | 35.3 Ų | 35.3 | 24% | 0.235 | 18% | 0.179 | C | C | . | . | trans | -52.5 | 127.9 | -175.9 | 179.6 | -95.2 | 0 | 0 | 0 | 113.2 | K75 F77 F347 | K75-Y294 HydrophobicContact CB-CD1 4.38Å; K75-Y294 HydrophobicContact CB-CD2 4.41Å; K75-Y294 HydrophobicContact CB-CG 3.95Å; K75-Y294 HydrophobicContact CD-CD1 3.87Å; K75-Y294 HydrophobicContact CD-CE1 4.31Å; K75-Y294 HydrophobicContact CD-CG 4.31Å; K75-Y294 HydrophobicContact CG-CD1 3.88Å; K75-Y294 HydrophobicContact CG-CD2 4.3Å; K75-Y294 HydrophobicContact CG-CE1 4.3Å; K75-Y294 HydrophobicContact CG-CG 3.88Å; F77-Y294 HydrophobicContact CE1-CE1 4.43Å; F77-Y294 HydrophobicContact CZ-CE1 4.24Å; F77-Y294 HydrophobicContact CZ-CE2 4.31Å; F77-Y294 AromaticContact CZ-CZ 3.76Å; F77-Y294 WeakPolarHBondContact CZ-OH 3.38Å; Y294-F347 AromaticContact CD2-CE2 3.92Å; Y294-F347 HydrophobicContact CD2-CE2 3.92Å; Y294-F347 AromaticContact CD2-CZ 3.66Å; Y294-F347 HydrophobicContact CD2-CZ 3.66Å; Y294-F347 AromaticContact CE2-CE2 3.92Å; Y294-F347 HydrophobicContact CE2-CE2 3.92Å; Y294-F347 HydrophobicContact CE2-CZ 4.1Å | ||
| 295 | D | 97.4 | Very high | 97.9 | Very high | 78 Ų | 78 | 35.8 Ų | 35.8 | 42% | 0.417 | 18% | 0.182 | S | C | . | . | trans | -129.2 | 125.1 | 171.2 | -179.6 | -0.2 | 0 | 0 | 0 | 108.4 | F293 E297 N298 P299 | F293-D295 PolarHBondContact O-N 3.2Å; D295-E297 PolarHBondContact O-N 3.3Å; D295-E297 PolarHBondContact OD1-N 2.93Å; D295-N298 HydrophobicContact CB-CB 4.46Å; D295-N298 CarbonylContact O-C 3.53Å; D295-N298 PolarHBondContact O-N 3.48Å; D295-N298 VanDerWaalsContact O-N 3.15Å; D295-P299 WeakPolarHBondContact O-CA 3.35Å | ||
| 296 | S | 96.1 | Very high | 97.9 | Very high | 76 Ų | 76 | 37.2 Ų | 37.2 | 53% | 0.531 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -24.2 | -178.8 | 55.3 | 0 | 0 | 0 | 0 | 113.3 | N298 | S296-N298 VanDerWaalsContact C-N 3.33Š|
| 297 | E | 97.5 | Very high | 97.9 | Very high | 168 Ų | 168 | 37.2 Ų | 37.2 | 79% | 0.785 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -12.5 | 177.2 | -58 | -58.6 | 132.7 | 0 | 0 | 112.4 | D295 | D295-E297 PolarHBondContact O-N 3.3Å; D295-E297 PolarHBondContact OD1-N 2.93Å |
| 298 | N | 96.8 | Very high | 97.9 | Very high | 75 Ų | 75 | 38.6 Ų | 38.6 | 40% | 0.401 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -143 | 65.6 | 178.3 | -173.4 | 28.9 | 0 | 0 | 0 | 110.3 | K290 D295 S296 | K290-N298 VanDerWaalsContact CE-OD1 3.27Å; K290-N298 WeakPolarHBondContact CE-OD1 3.2Å; K290-N298 PolarHBondContact NZ-OD1 2.96Å; D295-N298 HydrophobicContact CB-CB 4.46Å; D295-N298 CarbonylContact O-C 3.53Å; D295-N298 PolarHBondContact O-N 3.48Å; D295-N298 VanDerWaalsContact O-N 3.15Å; S296-N298 VanDerWaalsContact C-N 3.33Å |
| 299 | P | 97.6 | Very high | 97.9 | Very high | 22 Ų | 22 | 43.7 Ų | 43.7 | 14% | 0.143 | 22% | 0.221 | C | C | . | . | P | Polyproline II helix | trans | -66.5 | 160.7 | -172.2 | 28.8 | -36.2 | 0 | 0 | 0 | 112.3 | K290 D295 Q329 | K290-P299 WeakPolarHBondContact CD-O 3.5Å; D295-P299 WeakPolarHBondContact O-CA 3.35Å; P299-Q329 VanDerWaalsContact CB-CD 3.44Å; P299-Q329 HydrophobicContact CB-CG 3.91Å |
| 300 | P | 98.3 | Very high | 98 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.006 | 21% | 0.207 | C | C | . | . | P | Polyproline II helix | trans | -67 | 141.3 | 174.3 | 27.5 | -32.3 | 0 | 0 | 0 | 111.3 | K290 V291 G325 Q329 G330 F347 | K290-P300 HydrophobicContact CB-CB 3.98Å; V291-P300 HydrophobicContact CB-CB 4.47Å; V291-P300 HydrophobicContact CG2-CB 3.49Å; V291-P300 VanDerWaalsContact CG2-CB 3.49Å; V291-P300 HydrophobicContact CG2-CG 4.32Å; P300-G325 WeakPolarHBondContact O-CA 3.13Å; P300-Q329 HydrophobicContact CG-CB 4.16Å; P300-Q329 WeakPolarHBondContact O-CA 3.35Å; P300-G330 PolarHBondContact O-N 3.02Å; P300-F347 HydrophobicContact CG-CZ 3.97Å |
| 301 | A | 98.3 | Very high | 98 | Very high | 7 Ų | 7 | 43.7 Ų | 43.7 | 6% | 0.058 | 22% | 0.223 | C | C | . | . | P | Polyproline II helix | trans | -74.7 | 170.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | V34 P286 E323 G330 | V34-A301 HydrophobicContact CB-CB 4.28Å; V34-A301 HydrophobicContact CG2-CB 3.49Å; V34-A301 VanDerWaalsContact CG2-CB 3.49Å; P286-A301 HydrophobicContact CB-CB 4.5Å; P286-A301 HydrophobicContact CG-CB 4.15Å; A301-E323 WeakPolarHBondContact CA-O 3.33Å; A301-E323 WeakPolarHBondContact CB-O 3.29Å; A301-G330 WeakPolarHBondContact O-CA 3.14Å; A301-G330 PolarHBondContact O-N 3.46Å |
| 302 | S | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 144.1 | 170.6 | -68.7 | 0 | 0 | 0 | 0 | 110.6 | A322 E323 L328 S331 | S302-A322 CarbonylContact O-C 3.56Å; S302-A322 VanDerWaalsContact O-CA 3.28Å; S302-A322 WeakPolarHBondContact O-CA 3.41Å; S302-E323 PolarHBondContact N-O 2.94Å; S302-E323 PolarHBondContact O-N 3.1Å; S302-L328 WeakPolarHBondContact CB-O 3.03Å; S302-L328 VanDerWaalsContact OG-C 3.31Å; S302-L328 PolarHBondContact OG-O 2.99Å; S302-S331 WeakPolarHBondContact CA-OG 3.38Å; S302-S331 WeakPolarHBondContact CB-OG 3.42Å; S302-S331 PolarHBondContact OG-N 2.92Å |
| 303 | E | 98.9 | Very high | 98 | Very high | 5 Ų | 5 | 54.3 Ų | 54.3 | 2% | 0.023 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 136 | 177.5 | -179.2 | 178.3 | -117.1 | 0 | 0 | 110.3 | R32 T266 C284 P286 L305 Q319 Y321 S331 | R32-E303 IonicContact NH2-OE1 3.3Å; R32-E303 PolarHBondContact NH2-OE1 3.09Å; T266-E303 WeakPolarHBondContact CB-OE2 3.32Å; T266-E303 VanDerWaalsContact CG2-OE2 3.28Å; T266-E303 WeakPolarHBondContact CG2-OE2 3.36Å; T266-E303 PolarHBondContact OG1-OE2 2.98Å; C284-E303 HydrophobicContact CB-CB 4.11Å; C284-E303 HydrophobicContact CB-CG 4.34Å; C284-E303 PolarHBondContact N-O 3.48Å; P286-E303 HydrophobicContact CG-CB 3.57Å; P286-E303 HydrophobicContact CG-CG 4.44Å; E303-L305 HydrophobicContact CG-CD2 4.21Å; E303-Q319 HydrophobicContact CG-CG 4.04Å; E303-Q319 PolarHBondContact OE1-NE2 3.28Å; E303-Y321 CarbonylContact C-O 3.13Å; E303-Y321 WeakPolarHBondContact CA-O 3.4Å; E303-S331 PolarHBondContact N-OG 3.43Å; E303-S331 PolarHBondContact O-OG 2.91Å |
| 304 | V | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 129 | 175.7 | 177.5 | 0 | 0 | 0 | 0 | 109.6 | W281 V282 V320 Y321 A334 L341 I343 | W281-V304 HydrophobicContact CE3-CG1 3.95Å; W281-V304 HydrophobicContact CZ3-CG1 4.32Å; V282-V304 WeakPolarHBondContact O-CA 3.45Å; V304-V320 PolarHBondContact O-N 3.1Å; V304-Y321 HydrophobicContact CG2-CD1 4.38Å; V304-Y321 PolarHBondContact N-O 2.79Å; V304-A334 HydrophobicContact CB-CB 4.2Å; V304-A334 HydrophobicContact CG1-CB 3.48Å; V304-A334 VanDerWaalsContact CG1-CB 3.48Å; V304-A334 HydrophobicContact CG2-CB 3.65Å; V304-L341 HydrophobicContact CG1-CD1 4.44Å; V304-I343 HydrophobicContact CG2-CD1 3.78Å; V304-I343 HydrophobicContact CG2-CG1 4.06Å; V304-I343 HydrophobicContact CG2-CG2 4Å |
| 305 | L | 98.9 | Very high | 98 | Very high | 11 Ų | 11 | 56.1 Ų | 56.1 | 6% | 0.058 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 138.5 | 174.1 | -55.5 | -177.5 | 0 | 0 | 0 | 110.7 | F264 T266 W281 V282 E303 V317 T318 Q319 | F264-L305 HydrophobicContact CD1-CD1 3.76Å; F264-L305 HydrophobicContact CE1-CD1 4.15Å; F264-L305 HydrophobicContact CG-CD1 4.48Å; T266-L305 HydrophobicContact CG2-CD1 3.98Å; W281-L305 WeakPolarHBondContact CA-O 3.36Å; V282-L305 HydrophobicContact CB-CB 4.42Å; V282-L305 PolarHBondContact N-O 3.16Å; V282-L305 PolarHBondContact O-N 2.86Å; E303-L305 HydrophobicContact CG-CD2 4.21Å; L305-V317 HydrophobicContact CD1-CG1 4.37Å; L305-T318 CarbonylContact C-O 2.97Å; L305-T318 WeakPolarHBondContact CA-O 3.37Å; L305-Q319 HydrophobicContact CD2-CB 4.03Å; L305-Q319 HydrophobicContact CD2-CG 4.06Å |
| 306 | Q | 98.9 | Very high | 98.1 | Very high | 35 Ų | 35 | 58 Ų | 58 | 16% | 0.164 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 128.7 | 162.3 | -176.8 | -170.7 | 19.5 | 0 | 0 | 108.9 | D279 L280 W281 Q308 V317 T318 V320 | D279-Q306 HydrophobicContact CB-CG 4.42Å; D279-Q306 PolarHBondContact OD2-NE2 3.18Å; L280-Q306 CarbonylContact O-C 3.59Å; L280-Q306 WeakPolarHBondContact O-CA 3.3Å; W281-Q306 HydrophobicContact CD2-CB 4.33Å; W281-Q306 HydrophobicContact CD2-CG 4.32Å; W281-Q306 HydrophobicContact CE3-CB 4.23Å; W281-Q306 HydrophobicContact CH2-CB 4.08Å; W281-Q306 HydrophobicContact CH2-CG 4.17Å; W281-Q306 HydrophobicContact CZ2-CB 4.16Å; W281-Q306 HydrophobicContact CZ2-CG 3.76Å; W281-Q306 HydrophobicContact CZ3-CB 4.12Å; Q306-Q308 HydrophobicContact CG-CG 4.06Å; Q306-V317 WeakPolarHBondContact O-CA 3.28Å; Q306-T318 PolarHBondContact N-O 2.98Å; Q306-T318 PolarHBondContact O-N 2.92Å; Q306-V320 HydrophobicContact CB-CG2 3.66Å |
| 307 | I | 98.9 | Very high | 98.2 | Very high | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 116.5 | 179.2 | -52.6 | 164.4 | 0 | 0 | 0 | 108.8 | I245 L262 F264 D279 L280 V282 I310 P315 K316 V317 | I245-I307 HydrophobicContact CD1-CD1 3.6Å; L262-I307 HydrophobicContact CD2-CG2 3.9Å; F264-I307 HydrophobicContact CE1-CD1 3.92Å; F264-I307 HydrophobicContact CE1-CG1 4.39Å; F264-I307 HydrophobicContact CZ-CD1 3.62Å; F264-I307 HydrophobicContact CZ-CG1 4.49Å; D279-I307 WeakPolarHBondContact CA-O 3.44Å; L280-I307 HydrophobicContact CB-CB 4.19Å; L280-I307 HydrophobicContact CB-CD1 4.35Å; L280-I307 PolarHBondContact N-O 3.36Å; L280-I307 PolarHBondContact O-N 2.96Å; V282-I307 HydrophobicContact CG2-CD1 3.94Å; I307-I310 HydrophobicContact CG2-CB 4.3Å; I307-I310 HydrophobicContact CG2-CD1 4.23Å; I307-I310 HydrophobicContact CG2-CG1 4.14Å; I307-P315 HydrophobicContact CG2-CB 4.34Å; I307-K316 WeakPolarHBondContact CA-O 3.25Å; I307-V317 HydrophobicContact CG1-CG1 4.43Å; I307-V317 HydrophobicContact CG1-CG2 4.35Å; I307-V317 HydrophobicContact CG2-CG2 4.35Å |
| 308 | Q | 98.8 | Very high | 98.3 | Very high | 38 Ų | 38 | 51.8 Ų | 51.8 | 18% | 0.178 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 145.9 | -177.1 | -40.4 | -170 | -98 | 0 | 0 | 110.9 | D279 Q306 I310 K316 | D279-Q308 VanDerWaalsContact OD1-CA 3.32Å; D279-Q308 WeakPolarHBondContact OD1-CA 3.42Å; D279-Q308 WeakPolarHBondContact OD1-CB 3.34Å; D279-Q308 WeakPolarHBondContact OD2-CG 3.27Å; D279-Q308 PolarHBondContact OD2-NE2 3.2Å; Q306-Q308 HydrophobicContact CG-CG 4.06Å; Q308-I310 VanDerWaalsContact C-N 3.34Å; Q308-I310 PolarHBondContact O-N 2.83Å; Q308-K316 HydrophobicContact CB-CB 4.3Å; Q308-K316 PolarHBondContact N-O 3.07Å; Q308-K316 PolarHBondContact O-N 3.39Å |
| 309 | N | 98.2 | Very high | 98.3 | Very high | 107 Ų | 107 | 50.9 Ų | 50.9 | 57% | 0.572 | 26% | 0.26 | S | S | * | . | trans | 54.5 | 45.5 | 177.1 | -54.1 | -67.4 | 0 | 0 | 0 | 113 | L311 T312 | N309-L311 PolarHBondContact O-N 3.14Å; N309-T312 HydrophobicContact CB-CG2 3.81Å; N309-T312 PolarHBondContact O-N 3.32Å; N309-T312 PolarHBondContact O-OG1 3.34Å | ||
| 310 | I | 98.4 | Very high | 98.4 | Very high | 9 Ų | 9 | 50.7 Ų | 50.7 | 5% | 0.046 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -26 | -170.2 | -162 | 167.2 | 0 | 0 | 0 | 115 | Y236 V247 K260 L262 L280 I307 Q308 P315 | Y236-I310 HydrophobicContact CD1-CD1 4.25Å; Y236-I310 HydrophobicContact CE1-CD1 4.27Å; Y236-I310 HydrophobicContact CE1-CG2 3.93Å; V247-I310 HydrophobicContact CG2-CD1 3.75Å; V247-I310 HydrophobicContact CG2-CG1 3.92Å; K260-I310 PolarHBondContact NZ-O 3.01Å; L262-I310 HydrophobicContact CD1-CD1 4.19Å; L262-I310 HydrophobicContact CD1-CG1 3.78Å; L262-I310 HydrophobicContact CD2-CD1 4.44Å; L262-I310 HydrophobicContact CD2-CG1 4.06Å; L280-I310 HydrophobicContact CD1-CD1 4.21Å; L280-I310 HydrophobicContact CD2-CD1 3.79Å; I307-I310 HydrophobicContact CG2-CB 4.3Å; I307-I310 HydrophobicContact CG2-CD1 4.23Å; I307-I310 HydrophobicContact CG2-CG1 4.14Å; Q308-I310 VanDerWaalsContact C-N 3.34Å; Q308-I310 PolarHBondContact O-N 2.83Å; I310-P315 WeakPolarHBondContact O-CG 3.49Å |
| 311 | L | 98.2 | Very high | 98.4 | Very high | 80 Ų | 80 | 51.2 Ų | 51.2 | 42% | 0.419 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -13.9 | -179.6 | -56.9 | 178.6 | 0 | 0 | 0 | 114.4 | Y234 V247 L259 N309 | Y234-L311 HydrophobicContact CD1-CD2 4.01Å; Y234-L311 HydrophobicContact CD2-CD1 4.11Å; Y234-L311 HydrophobicContact CD2-CD2 4.47Å; Y234-L311 HydrophobicContact CE1-CD1 4.23Å; Y234-L311 HydrophobicContact CE1-CD2 3.89Å; Y234-L311 HydrophobicContact CE2-CD1 3.49Å; Y234-L311 VanDerWaalsContact CE2-CD1 3.49Å; Y234-L311 HydrophobicContact CE2-CD2 4.39Å; Y234-L311 HydrophobicContact CG-CD2 4.29Å; V247-L311 HydrophobicContact CG1-CD2 4.01Å; L259-L311 HydrophobicContact CD2-CD2 3.9Å; N309-L311 PolarHBondContact O-N 3.14Å |
| 312 | T | 97.9 | Very high | 98.4 | Very high | 64 Ų | 64 | 50.9 Ų | 50.9 | 39% | 0.393 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -71.3 | 167.9 | 177.9 | 63 | 0 | 0 | 0 | 0 | 111.3 | K260 N309 E314 | K260-T312 PolarHBondContact NZ-O 3.44Å; N309-T312 HydrophobicContact CB-CG2 3.81Å; N309-T312 PolarHBondContact O-N 3.32Å; N309-T312 PolarHBondContact O-OG1 3.34Å; T312-E314 VanDerWaalsContact C-N 3.28Å; T312-E314 PolarHBondContact O-N 3.13Å; T312-E314 VanDerWaalsContact OG1-C 3.26Å; T312-E314 PolarHBondContact OG1-O 2.9Å; T312-E314 VanDerWaalsContact OG1-O 3.12Å |
| 313 | E | 96.3 | Very high | 98.4 | Very high | 197 Ų | 197 | 51.6 Ų | 51.6 | 92% | 0.921 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -60.8 | -40.6 | 174 | -66.9 | -175.8 | 169.5 | 0 | 0 | 111.4 | P315 | E313-P315 WeakPolarHBondContact O-CD 3.46Š|
| 314 | E | 96.9 | Very high | 98.3 | Very high | 176 Ų | 176 | 55.2 Ų | 55.2 | 82% | 0.822 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -120.6 | 88.2 | 177.7 | -63.6 | -174.9 | 170.5 | 0 | 0 | 110.5 | T312 | T312-E314 VanDerWaalsContact C-N 3.28Å; T312-E314 PolarHBondContact O-N 3.13Å; T312-E314 VanDerWaalsContact OG1-C 3.26Å; T312-E314 PolarHBondContact OG1-O 2.9Å; T312-E314 VanDerWaalsContact OG1-O 3.12Å |
| 315 | P | 98.4 | Very high | 98.2 | Very high | 29 Ų | 29 | 55.2 Ų | 55.2 | 19% | 0.188 | 28% | 0.281 | C | S | . | . | trans | -61.7 | 143.3 | 170.7 | -26.2 | 38.2 | 0 | 0 | 0 | 111.2 | L262 I307 I310 E313 V317 | L262-P315 HydrophobicContact CD2-CB 3.92Å; L262-P315 HydrophobicContact CD2-CG 3.97Å; L262-P315 HydrophobicContact CG-CG 4.42Å; I307-P315 HydrophobicContact CG2-CB 4.34Å; I310-P315 WeakPolarHBondContact O-CG 3.49Å; E313-P315 WeakPolarHBondContact O-CD 3.46Å; P315-V317 PolarHBondContact O-N 3.41Å | ||
| 316 | K | 98.7 | Very high | 98.1 | Very high | 118 Ų | 118 | 60.1 Ų | 60.1 | 51% | 0.513 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 113.8 | 175.5 | -179.2 | -179.8 | 167.4 | -141.4 | 0 | 109.1 | I307 Q308 | I307-K316 WeakPolarHBondContact CA-O 3.25Å; Q308-K316 HydrophobicContact CB-CB 4.3Å; Q308-K316 PolarHBondContact N-O 3.07Å; Q308-K316 PolarHBondContact O-N 3.39Å |
| 317 | V | 98.8 | Very high | 98 | Very high | 68 Ų | 68 | 61.5 Ų | 61.5 | 41% | 0.412 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 122.5 | 175.2 | -176 | 0 | 0 | 0 | 0 | 108.9 | F264 L305 Q306 I307 P315 | F264-V317 HydrophobicContact CD1-CG1 4.37Å; F264-V317 HydrophobicContact CE1-CG1 4.01Å; F264-V317 HydrophobicContact CE1-CG2 4.08Å; L305-V317 HydrophobicContact CD1-CG1 4.37Å; Q306-V317 WeakPolarHBondContact O-CA 3.28Å; I307-V317 HydrophobicContact CG1-CG1 4.43Å; I307-V317 HydrophobicContact CG1-CG2 4.35Å; I307-V317 HydrophobicContact CG2-CG2 4.35Å; P315-V317 PolarHBondContact O-N 3.41Å |
| 318 | T | 98.8 | Very high | 98 | Very high | 45 Ų | 45 | 61.5 Ų | 61.5 | 28% | 0.276 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 126.9 | 179.7 | -49.1 | 0 | 0 | 0 | 0 | 109.2 | L305 Q306 V320 | L305-T318 CarbonylContact C-O 2.97Å; L305-T318 WeakPolarHBondContact CA-O 3.37Å; Q306-T318 PolarHBondContact N-O 2.98Å; Q306-T318 PolarHBondContact O-N 2.92Å; T318-V320 HydrophobicContact CG2-CG2 4.3Å; T318-V320 PolarHBondContact O-N 2.84Å |
| 319 | Q | 98.6 | Very high | 98 | Very high | 56 Ų | 56 | 61 Ų | 61 | 26% | 0.262 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 108.6 | 168.3 | -166 | -171.7 | 20.5 | 0 | 0 | 107.5 | I37 E303 L305 A322 | I37-Q319 HydrophobicContact CD1-CB 3.76Å; I37-Q319 HydrophobicContact CD1-CG 3.74Å; I37-Q319 WeakPolarHBondContact CD1-O 3.37Å; E303-Q319 HydrophobicContact CG-CG 4.04Å; E303-Q319 PolarHBondContact OE1-NE2 3.28Å; L305-Q319 HydrophobicContact CD2-CB 4.03Å; L305-Q319 HydrophobicContact CD2-CG 4.06Å; Q319-A322 HydrophobicContact CG-CB 4.28Å; Q319-A322 VanDerWaalsContact NE2-CB 3.28Å |
| 320 | V | 98.7 | Very high | 98 | Very high | 17 Ų | 17 | 55.9 Ų | 55.9 | 10% | 0.103 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | -37.2 | -170.9 | 179.6 | 0 | 0 | 0 | 0 | 111.6 | I37 L39 W281 V304 Q306 T318 L341 L355 | I37-V320 WeakPolarHBondContact CG2-O 3.39Å; L39-V320 HydrophobicContact CD1-CG1 4.32Å; L39-V320 HydrophobicContact CD2-CG1 4.33Å; W281-V320 HydrophobicContact CH2-CG1 4.25Å; W281-V320 HydrophobicContact CH2-CG2 4.06Å; W281-V320 HydrophobicContact CZ3-CB 4.04Å; W281-V320 HydrophobicContact CZ3-CG1 3.9Å; W281-V320 HydrophobicContact CZ3-CG2 3.76Å; V304-V320 PolarHBondContact O-N 3.1Å; Q306-V320 HydrophobicContact CB-CG2 3.66Å; T318-V320 HydrophobicContact CG2-CG2 4.3Å; T318-V320 PolarHBondContact O-N 2.84Å; V320-L341 HydrophobicContact CG1-CD2 4.48Å; V320-L355 HydrophobicContact CG1-CD2 3.64Å |
| 321 | Y | 98.8 | Very high | 98 | Very high | 12 Ų | 12 | 55.4 Ų | 55.4 | 5% | 0.047 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 140.6 | 177.5 | 175.4 | -98.8 | 0 | 0 | 0 | 109.3 | L39 E303 V304 E323 I343 L351 | L39-Y321 HydrophobicContact CD1-CD2 4.21Å; L39-Y321 HydrophobicContact CG-CD2 4.28Å; E303-Y321 CarbonylContact C-O 3.13Å; E303-Y321 WeakPolarHBondContact CA-O 3.4Å; V304-Y321 HydrophobicContact CG2-CD1 4.38Å; V304-Y321 PolarHBondContact N-O 2.79Å; Y321-E323 HydrophobicContact CE1-CG 4.02Å; Y321-E323 WeakPolarHBondContact OH-CG 3Å; Y321-I343 HydrophobicContact CD1-CD1 3.56Å; Y321-I343 HydrophobicContact CE1-CD1 3.94Å; Y321-I343 HydrophobicContact CG-CD1 3.89Å; Y321-L351 HydrophobicContact CE1-CD2 4.15Å; Y321-L351 HydrophobicContact CE2-CD2 3.91Å; Y321-L351 WeakPolarHBondContact OH-CD2 3.44Å |
| 322 | A | 98.6 | Very high | 98 | Very high | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.008 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 131.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | V34 P36 I37 S302 Q319 | V34-A322 HydrophobicContact CG1-CB 3.68Å; P36-A322 CarbonylContact C-O 3.58Å; P36-A322 VanDerWaalsContact CA-O 3.25Å; P36-A322 WeakPolarHBondContact CA-O 3.43Å; I37-A322 HydrophobicContact CB-CB 4.2Å; I37-A322 HydrophobicContact CG1-CB 4.36Å; I37-A322 PolarHBondContact N-O 3.23Å; I37-A322 PolarHBondContact O-N 3.44Å; I37-A322 VanDerWaalsContact O-N 3.08Å; S302-A322 CarbonylContact O-C 3.56Å; S302-A322 VanDerWaalsContact O-CA 3.28Å; S302-A322 WeakPolarHBondContact O-CA 3.41Å; Q319-A322 HydrophobicContact CG-CB 4.28Å; Q319-A322 VanDerWaalsContact NE2-CB 3.28Å |
| 323 | E | 97.3 | Very high | 98.1 | Very high | 15 Ų | 15 | 48.6 Ų | 48.6 | 7% | 0.07 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 163.2 | 173.2 | 81.8 | 83.8 | -166 | 0 | 0 | 111.5 | A301 S302 Y321 G325 T326 V327 L328 | A301-E323 WeakPolarHBondContact CA-O 3.33Å; A301-E323 WeakPolarHBondContact CB-O 3.29Å; S302-E323 PolarHBondContact N-O 2.94Å; S302-E323 PolarHBondContact O-N 3.1Å; Y321-E323 HydrophobicContact CE1-CG 4.02Å; Y321-E323 WeakPolarHBondContact OH-CG 3Å; E323-G325 PolarHBondContact O-N 2.97Å; E323-G325 WeakPolarHBondContact OE1-CA 3.33Å; E323-G325 PolarHBondContact OE1-N 3.33Å; E323-G325 PolarHBondContact OE2-N 2.99Å; E323-T326 PolarHBondContact OE1-N 3.13Å; E323-T326 PolarHBondContact OE2-N 3.24Å; E323-T326 PolarHBondContact OE2-OG1 3.39Å; E323-V327 PolarHBondContact OE1-N 2.92Å; E323-V327 VanDerWaalsContact OE1-N 3.08Å; E323-L328 PolarHBondContact OE1-N 3.32Å |
| 324 | N | 97.1 | Very high | 98.2 | Very high | 80 Ų | 80 | 39.2 Ų | 39.2 | 43% | 0.428 | 21% | 0.207 | S | C | . | . | trans | -88.8 | 9 | -165 | 65.7 | -2 | 0 | 0 | 0 | 115.7 | T326 | N324-T326 WeakPolarHBondContact OD1-CG2 3.19Å; N324-T326 PolarHBondContact OD1-N 3.38Å; N324-T326 PolarHBondContact OD1-OG1 2.97Å | ||
| 325 | G | 97.1 | Very high | 98.3 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | S | Bend | trans | 99.4 | 8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | P300 E323 V327 Q329 | P300-G325 WeakPolarHBondContact O-CA 3.13Å; E323-G325 PolarHBondContact O-N 2.97Å; E323-G325 WeakPolarHBondContact OE1-CA 3.33Å; E323-G325 PolarHBondContact OE1-N 3.33Å; E323-G325 PolarHBondContact OE2-N 2.99Å; G325-V327 VanDerWaalsContact C-N 3.33Å; G325-Q329 WeakPolarHBondContact O-CG 3.11Å; G325-Q329 PolarHBondContact O-NE2 3.15Å |
| 326 | T | 96.6 | Very high | 98.3 | Very high | 113 Ų | 113 | 31.3 Ų | 31.3 | 69% | 0.693 | 17% | 0.171 | S | C | * | . | S | Bend | trans | -75.1 | -24.4 | 177.8 | 53.8 | 0 | 0 | 0 | 0 | 112.9 | E323 N324 | E323-T326 PolarHBondContact OE1-N 3.13Å; E323-T326 PolarHBondContact OE2-N 3.24Å; E323-T326 PolarHBondContact OE2-OG1 3.39Å; N324-T326 WeakPolarHBondContact OD1-CG2 3.19Å; N324-T326 PolarHBondContact OD1-N 3.38Å; N324-T326 PolarHBondContact OD1-OG1 2.97Å |
| 327 | V | 97.5 | Very high | 98.3 | Very high | 65 Ų | 65 | 27.1 Ų | 27.1 | 39% | 0.394 | 15% | 0.152 | S | C | . | . | S | Bend | trans | -115.2 | -51 | 179.6 | 179.1 | 0 | 0 | 0 | 0 | 110.6 | L44 E323 G325 L351 | L44-V327 HydrophobicContact CD2-CG1 4.17Å; L44-V327 HydrophobicContact CG-CG1 4.37Å; E323-V327 PolarHBondContact OE1-N 2.92Å; E323-V327 VanDerWaalsContact OE1-N 3.08Å; G325-V327 VanDerWaalsContact C-N 3.33Å; V327-L351 HydrophobicContact CG1-CD1 4.02Å |
| 328 | L | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -132.7 | 119.5 | -173.8 | -168.2 | 73.5 | 0 | 0 | 0 | 110.3 | L44 S302 E323 I343 T345 K349 L351 | L44-L328 HydrophobicContact CD2-CD1 4.36Å; S302-L328 WeakPolarHBondContact CB-O 3.03Å; S302-L328 VanDerWaalsContact OG-C 3.31Å; S302-L328 PolarHBondContact OG-O 2.99Å; E323-L328 PolarHBondContact OE1-N 3.32Å; L328-I343 HydrophobicContact CD2-CB 3.89Å; L328-I343 HydrophobicContact CD2-CG2 3.59Å; L328-T345 HydrophobicContact CD1-CG2 3.51Å; L328-T345 HydrophobicContact CD2-CG2 4Å; L328-T345 HydrophobicContact CG-CG2 3.49Å; L328-T345 VanDerWaalsContact CG-CG2 3.49Å; L328-K349 HydrophobicContact CD1-CB 4.2Å; L328-K349 WeakPolarHBondContact CD1-O 3.42Å; L328-L351 HydrophobicContact CD1-CB 4.08Å; L328-L351 HydrophobicContact CD2-CB 3.75Å; L328-L351 HydrophobicContact CD2-CD2 4.36Å; L328-L351 HydrophobicContact CG-CB 4.38Å |
| 329 | Q | 98.6 | Very high | 98.1 | Very high | 27 Ų | 27 | 31 Ų | 31 | 13% | 0.126 | 17% | 0.171 | C | C | . | . | trans | -105.7 | 119.4 | -171.6 | -63 | 178.7 | 7.4 | 0 | 0 | 111.8 | P299 P300 G325 T345 H348 | P299-Q329 VanDerWaalsContact CB-CD 3.44Å; P299-Q329 HydrophobicContact CB-CG 3.91Å; P300-Q329 HydrophobicContact CG-CB 4.16Å; P300-Q329 WeakPolarHBondContact O-CA 3.35Å; G325-Q329 WeakPolarHBondContact O-CG 3.11Å; G325-Q329 PolarHBondContact O-NE2 3.15Å; Q329-T345 WeakPolarHBondContact O-CB 3.33Å; Q329-T345 VanDerWaalsContact O-CG2 3.3Å; Q329-T345 WeakPolarHBondContact O-CG2 3.49Å; Q329-H348 HydrophobicContact CB-CB 4.13Å; Q329-H348 PolarHBondContact N-ND1 2.9Å | ||
| 330 | G | 98.1 | Very high | 98.1 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | S | Bend | trans | 69.6 | 63.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | P300 A301 T345 V346 | P300-G330 PolarHBondContact O-N 3.02Å; A301-G330 WeakPolarHBondContact O-CA 3.14Å; A301-G330 PolarHBondContact O-N 3.46Å; G330-T345 VanDerWaalsContact O-CA 3.26Å; G330-T345 WeakPolarHBondContact O-CA 3.34Å; G330-T345 VanDerWaalsContact O-CB 3.31Å; G330-T345 WeakPolarHBondContact O-CB 3.2Å; G330-V346 PolarHBondContact O-N 2.89Å |
| 331 | S | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 132.2 | 175.9 | 55.2 | 0 | 0 | 0 | 0 | 112.6 | C284 H285 S302 E303 G344 | C284-S331 CarbonylContact C-O 3.58Å; C284-S331 PolarHBondContact N-O 3.37Å; C284-S331 VanDerWaalsContact O-O 3.1Å; C284-S331 PolarHBondContact O-OG 3.48Å; H285-S331 PolarHBondContact CE1-O 2.9Å; S302-S331 WeakPolarHBondContact CA-OG 3.38Å; S302-S331 WeakPolarHBondContact CB-OG 3.42Å; S302-S331 PolarHBondContact OG-N 2.92Å; E303-S331 PolarHBondContact N-OG 3.43Å; E303-S331 PolarHBondContact O-OG 2.91Å; S331-G344 VanDerWaalsContact CA-O 3.25Å; S331-G344 WeakPolarHBondContact CA-O 3.47Å |
| 332 | T | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | -40 | -178.5 | 43.6 | 0 | 0 | 0 | 0 | 112.5 | E53 D269 N270 G283 G344 T345 V346 | E53-T332 WeakPolarHBondContact CA-OG1 3.5Å; E53-T332 HydrophobicContact CG-CG2 3.89Å; E53-T332 WeakPolarHBondContact O-CB 3.46Å; E53-T332 PolarHBondContact O-OG1 3.39Å; D269-T332 WeakPolarHBondContact OD2-CA 2.97Å; D269-T332 VanDerWaalsContact OD2-CB 3.32Å; D269-T332 WeakPolarHBondContact OD2-CB 3.4Å; D269-T332 WeakPolarHBondContact OD2-CG2 3.21Å; N270-T332 WeakPolarHBondContact CA-O 3.38Å; N270-T332 WeakPolarHBondContact CB-O 3.21Å; N270-T332 PolarHBondContact N-O 2.94Å; G283-T332 CarbonylContact C-O 3.55Å; G283-T332 VanDerWaalsContact CA-O 3.27Å; G283-T332 WeakPolarHBondContact CA-O 3.23Å; T332-G344 PolarHBondContact N-O 3.28Å; T332-G344 PolarHBondContact OG1-O 2.87Å; T332-T345 PolarHBondContact OG1-N 3.37Å; T332-V346 HydrophobicContact CG2-CB 3.9Å; T332-V346 HydrophobicContact CG2-CG2 3.11Å |
| 333 | V | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 148.2 | -172.6 | 64.1 | 0 | 0 | 0 | 0 | 109.9 | E53 D54 L55 N270 I343 G344 | E53-V333 WeakPolarHBondContact O-CG1 3.32Å; D54-V333 WeakPolarHBondContact OD1-CG2 3.27Å; L55-V333 HydrophobicContact CB-CG1 4.39Å; L55-V333 HydrophobicContact CD1-CG2 4.34Å; L55-V333 HydrophobicContact CD2-CG1 3.57Å; L55-V333 HydrophobicContact CG-CB 4.36Å; L55-V333 HydrophobicContact CG-CG1 3.6Å; L55-V333 HydrophobicContact CG-CG2 3.84Å; N270-V333 HydrophobicContact CB-CB 3.87Å; N270-V333 HydrophobicContact CB-CG2 4.08Å; V333-I343 WeakPolarHBondContact O-CA 3.34Å; V333-G344 PolarHBondContact O-N 2.98Å |
| 334 | A | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 131.7 | 172 | 0 | 0 | 0 | 0 | 0 | 109.7 | S272 W281 V304 L341 L342 | S272-A334 WeakPolarHBondContact CB-O 3.48Å; S272-A334 PolarHBondContact OG-O 2.8Å; W281-A334 WeakPolarHBondContact CB-O 3.34Å; V304-A334 HydrophobicContact CB-CB 4.2Å; V304-A334 HydrophobicContact CG1-CB 3.48Å; V304-A334 VanDerWaalsContact CG1-CB 3.48Å; V304-A334 HydrophobicContact CG2-CB 3.65Å; A334-L341 HydrophobicContact CB-CD1 4.14Å; A334-L342 VanDerWaalsContact CA-O 3.3Å; A334-L342 WeakPolarHBondContact CA-O 3.27Å |
| 335 | S | 98.8 | Very high | 98.3 | Very high | 13 Ų | 13 | 25 Ų | 25 | 9% | 0.091 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 156.3 | 177.6 | -165.3 | 0 | 0 | 0 | 0 | 111.1 | L342 | S335-L342 PolarHBondContact N-O 3.48Å; S335-L342 PolarHBondContact O-N 3.45Å |
| 336 | V | 98.8 | Very high | 98.2 | Very high | 26 Ų | 26 | 25.5 Ų | 25.5 | 16% | 0.158 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 145.9 | -171.7 | -62.5 | 0 | 0 | 0 | 0 | 112.5 | D274 W281 K340 L341 L355 | D274-V336 HydrophobicContact CB-CG2 4.49Å; W281-V336 HydrophobicContact CD2-CG1 3.62Å; W281-V336 HydrophobicContact CD2-CG2 4.34Å; W281-V336 VanDerWaalsContact CE2-CG1 3.48Å; W281-V336 HydrophobicContact CE3-CG1 3.78Å; W281-V336 HydrophobicContact CG-CG1 4.31Å; W281-V336 HydrophobicContact CG-CG2 4.48Å; W281-V336 HydrophobicContact CH2-CG1 3.69Å; W281-V336 HydrophobicContact CZ2-CB 4.4Å; W281-V336 HydrophobicContact CZ2-CG1 3.54Å; W281-V336 HydrophobicContact CZ2-CG2 4.1Å; W281-V336 HydrophobicContact CZ3-CG1 3.8Å; V336-K340 CarbonylContact C-O 3.59Å; V336-K340 WeakPolarHBondContact CA-O 3.3Å; V336-K340 WeakPolarHBondContact CB-O 3.46Å; V336-L341 HydrophobicContact CG1-CB 4.49Å; V336-L341 HydrophobicContact CG1-CD1 3.61Å; V336-L355 HydrophobicContact CB-CD1 4.27Å; V336-L355 HydrophobicContact CG1-CD1 3.67Å |
| 337 | Y | 98.6 | Very high | 98.2 | Very high | 30 Ų | 30 | 20.2 Ų | 20.2 | 12% | 0.118 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 121.9 | 173.8 | -177.4 | -104.8 | 0 | 0 | 0 | 110.3 | I57 N60 G61 L90 N91 G339 K340 | I57-Y337 HydrophobicContact CG2-CD2 4.11Å; I57-Y337 HydrophobicContact CG2-CG 4.25Å; N60-Y337 PolarHBondContact O-OH 2.83Å; G61-Y337 WeakPolarHBondContact CA-OH 3.31Å; G61-Y337 PolarHBondContact N-OH 3.49Å; L90-Y337 HydrophobicContact CB-CD1 3.56Å; L90-Y337 HydrophobicContact CB-CE1 4.05Å; L90-Y337 HydrophobicContact CB-CG 4.34Å; L90-Y337 HydrophobicContact CD1-CD1 4.22Å; L90-Y337 HydrophobicContact CD1-CG 4.19Å; N91-Y337 WeakPolarHBondContact OD1-CE1 3.17Å; N91-Y337 PolarHBondContact OD1-OH 2.99Å; Y337-G339 VanDerWaalsContact C-N 3.31Å; Y337-G339 PolarHBondContact O-N 2.87Å; Y337-K340 PolarHBondContact N-O 3.28Å; Y337-K340 VanDerWaalsContact O-CB 3.27Å; Y337-K340 WeakPolarHBondContact O-CB 3.46Å; Y337-K340 WeakPolarHBondContact O-CG 3.41Å; Y337-K340 PolarHBondContact O-N 2.9Å |
| 338 | K | 97 | Very high | 98.2 | Very high | 155 Ų | 155 | 18.1 Ų | 18.1 | 67% | 0.674 | 10% | 0.095 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 46.8 | 47.1 | 175.6 | -63.5 | -177.3 | -179.5 | 165.7 | 0 | 114.7 | N91 K340 | N91-K338 PolarHBondContact OD1-NZ 3.48Å; N91-K338 VanDerWaalsContact OD1-NZ 3.07Å; K338-K340 VanDerWaalsContact C-N 3.32Å |
| 339 | G | 96.6 | Very high | 98.2 | Very high | 40 Ų | 40 | 20.2 Ų | 20.2 | 41% | 0.412 | 10% | 0.104 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.7 | 9.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y337 L355 | Y337-G339 VanDerWaalsContact C-N 3.31Å; Y337-G339 PolarHBondContact O-N 2.87Å; G339-L355 WeakPolarHBondContact O-CB 3.35Å; G339-L355 PolarHBondContact O-N 3.29Å |
| 340 | K | 98.1 | Very high | 98.3 | Very high | 54 Ų | 54 | 19 Ų | 19 | 24% | 0.235 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 147.6 | 175.2 | -48.7 | -72.4 | -168.6 | -169.4 | 0 | 110 | V336 Y337 K338 Y352 C353 E354 | V336-K340 CarbonylContact C-O 3.59Å; V336-K340 WeakPolarHBondContact CA-O 3.3Å; V336-K340 WeakPolarHBondContact CB-O 3.46Å; Y337-K340 PolarHBondContact N-O 3.28Å; Y337-K340 VanDerWaalsContact O-CB 3.27Å; Y337-K340 WeakPolarHBondContact O-CB 3.46Å; Y337-K340 WeakPolarHBondContact O-CG 3.41Å; Y337-K340 PolarHBondContact O-N 2.9Å; K338-K340 VanDerWaalsContact C-N 3.32Å; K340-Y352 HydrophobicContact CB-CD2 4.45Å; K340-Y352 HydrophobicContact CB-CE2 3.51Å; K340-Y352 HydrophobicContact CD-CE1 4.31Å; K340-Y352 HydrophobicContact CG-CE2 4.15Å; K340-Y352 VanDerWaalsContact CG-OH 3.24Å; K340-Y352 WeakPolarHBondContact CG-OH 3.33Å; K340-C353 CarbonylContact C-O 3.35Å; K340-C353 VanDerWaalsContact CA-O 3.3Å; K340-C353 WeakPolarHBondContact CA-O 3.42Å; K340-E354 WeakPolarHBondContact CD-OE2 3.5Å; K340-E354 IonicContact NZ-OE1 2.69Å; K340-E354 PolarHBondContact NZ-OE1 3.06Å; K340-E354 IonicContact NZ-OE2 2.67Å; K340-E354 PolarHBondContact NZ-OE2 3.13Å |
| 341 | L | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 126 | 174 | 178.6 | 68.8 | 0 | 0 | 0 | 109.3 | L39 W281 V304 V320 A334 V336 I343 Y352 C353 L355 | L39-L341 HydrophobicContact CD1-CD2 3.59Å; W281-L341 HydrophobicContact CE3-CD1 3.88Å; W281-L341 HydrophobicContact CZ3-CD1 3.9Å; V304-L341 HydrophobicContact CG1-CD1 4.44Å; V320-L341 HydrophobicContact CG1-CD2 4.48Å; A334-L341 HydrophobicContact CB-CD1 4.14Å; V336-L341 HydrophobicContact CG1-CB 4.49Å; V336-L341 HydrophobicContact CG1-CD1 3.61Å; L341-I343 HydrophobicContact CD2-CD1 3.8Å; L341-I343 HydrophobicContact CD2-CG1 3.92Å; L341-I343 HydrophobicContact CG-CD1 4.28Å; L341-I343 HydrophobicContact CG-CG1 3.84Å; L341-Y352 CarbonylContact O-C 3.29Å; L341-Y352 WeakPolarHBondContact O-CA 3.33Å; L341-C353 HydrophobicContact CB-CB 4.37Å; L341-C353 PolarHBondContact N-O 3.29Å; L341-C353 PolarHBondContact O-N 2.92Å; L341-L355 HydrophobicContact CB-CD1 4.36Å; L341-L355 HydrophobicContact CB-CD2 3.96Å; L341-L355 HydrophobicContact CB-CG 4.02Å; L341-L355 HydrophobicContact CD2-CD2 4.23Å |
| 342 | L | 98.9 | Very high | 98.3 | Very high | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.005 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 124.9 | 171.2 | -178.6 | 64.1 | 0 | 0 | 0 | 109.2 | V45 L55 A63 I65 M88 A334 S335 L351 Y352 | V45-L342 HydrophobicContact CG2-CD1 4.03Å; L55-L342 HydrophobicContact CD1-CD2 4.22Å; L55-L342 HydrophobicContact CD2-CD2 3.81Å; L55-L342 HydrophobicContact CD2-CG 3.75Å; A63-L342 HydrophobicContact CB-CD2 4.21Å; I65-L342 HydrophobicContact CD1-CD2 4.22Å; M88-L342 HydrophobicContact CE-CD1 4.3Å; M88-L342 HydrophobicContact SD-CD1 4.41Å; A334-L342 VanDerWaalsContact CA-O 3.3Å; A334-L342 WeakPolarHBondContact CA-O 3.27Å; S335-L342 PolarHBondContact N-O 3.48Å; S335-L342 PolarHBondContact O-N 3.45Å; L342-L351 WeakPolarHBondContact CA-O 3.49Å; L342-Y352 HydrophobicContact CB-CD2 4.26Å; L342-Y352 HydrophobicContact CD1-CD2 4.21Å |
| 343 | I | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 124.5 | -177.1 | -44.6 | 176.1 | 0 | 0 | 0 | 109.3 | V304 Y321 L328 V333 L341 A350 L351 | V304-I343 HydrophobicContact CG2-CD1 3.78Å; V304-I343 HydrophobicContact CG2-CG1 4.06Å; V304-I343 HydrophobicContact CG2-CG2 4Å; Y321-I343 HydrophobicContact CD1-CD1 3.56Å; Y321-I343 HydrophobicContact CE1-CD1 3.94Å; Y321-I343 HydrophobicContact CG-CD1 3.89Å; L328-I343 HydrophobicContact CD2-CB 3.89Å; L328-I343 HydrophobicContact CD2-CG2 3.59Å; V333-I343 WeakPolarHBondContact O-CA 3.34Å; L341-I343 HydrophobicContact CD2-CD1 3.8Å; L341-I343 HydrophobicContact CD2-CG1 3.92Å; L341-I343 HydrophobicContact CG-CD1 4.28Å; L341-I343 HydrophobicContact CG-CG1 3.84Å; I343-A350 CarbonylContact O-C 3.57Å; I343-A350 VanDerWaalsContact O-CA 3.22Å; I343-A350 WeakPolarHBondContact O-CA 3.39Å; I343-A350 WeakPolarHBondContact O-CB 3.37Å; I343-L351 HydrophobicContact CB-CB 4.32Å; I343-L351 HydrophobicContact CD1-CD2 4.24Å; I343-L351 PolarHBondContact N-O 2.89Å; I343-L351 PolarHBondContact O-N 3.25Å |
| 344 | G | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 164.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | S52 S331 T332 V333 | S52-G344 CarbonylContact O-C 3.57Å; S52-G344 WeakPolarHBondContact O-CA 3.41Å; S52-G344 WeakPolarHBondContact OG-CA 3.47Å; S331-G344 VanDerWaalsContact CA-O 3.25Å; S331-G344 WeakPolarHBondContact CA-O 3.47Å; T332-G344 PolarHBondContact N-O 3.28Å; T332-G344 PolarHBondContact OG1-O 2.87Å; V333-G344 PolarHBondContact O-N 2.98Å |
| 345 | T | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 156.4 | 179.5 | 62.6 | 0 | 0 | 0 | 0 | 112.3 | S52 E53 L328 Q329 G330 T332 F347 H348 K349 | S52-T345 CarbonylContact C-O 3.42Å; S52-T345 PolarHBondContact N-O 3.47Å; S52-T345 PolarHBondContact O-N 3Å; S52-T345 PolarHBondContact OG-N 2.9Å; S52-T345 VanDerWaalsContact OG-N 3.14Å; E53-T345 VanDerWaalsContact CA-O 3.31Å; E53-T345 WeakPolarHBondContact CA-O 3.25Å; E53-T345 PolarHBondContact N-O 2.83Å; E53-T345 VanDerWaalsContact N-O 3.15Å; L328-T345 HydrophobicContact CD1-CG2 3.51Å; L328-T345 HydrophobicContact CD2-CG2 4Å; L328-T345 HydrophobicContact CG-CG2 3.49Å; L328-T345 VanDerWaalsContact CG-CG2 3.49Å; Q329-T345 WeakPolarHBondContact O-CB 3.33Å; Q329-T345 VanDerWaalsContact O-CG2 3.3Å; Q329-T345 WeakPolarHBondContact O-CG2 3.49Å; G330-T345 VanDerWaalsContact O-CA 3.26Å; G330-T345 WeakPolarHBondContact O-CA 3.34Å; G330-T345 VanDerWaalsContact O-CB 3.31Å; G330-T345 WeakPolarHBondContact O-CB 3.2Å; T332-T345 PolarHBondContact OG1-N 3.37Å; T345-F347 VanDerWaalsContact C-N 3.33Å; T345-F347 PolarHBondContact O-N 2.91Å; T345-H348 HydrophobicContact CG2-CB 4.48Å; T345-H348 VanDerWaalsContact OG1-CA 3.31Å; T345-H348 WeakPolarHBondContact OG1-CA 3.48Å; T345-H348 WeakPolarHBondContact OG1-CB 3.39Å; T345-H348 PolarHBondContact OG1-N 3.49Å; T345-H348 VanDerWaalsContact OG1-N 3.08Å; T345-K349 WeakPolarHBondContact CB-O 3.31Å; T345-K349 VanDerWaalsContact CG2-O 3.24Å; T345-K349 WeakPolarHBondContact CG2-O 3.48Å; T345-K349 PolarHBondContact OG1-N 3.3Å; T345-K349 PolarHBondContact OG1-O 3.49Å |
| 346 | V | 94.3 | Very high | 97.9 | Very high | 12 Ų | 12 | 28.7 Ų | 28.7 | 7% | 0.073 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -57.5 | -47.8 | -175.6 | -169.1 | 0 | 0 | 0 | 0 | 111.3 | E53 L69 I74 V291 G330 T332 | E53-V346 HydrophobicContact CG-CG1 4.26Å; L69-V346 HydrophobicContact CD2-CG1 4.34Å; I74-V346 HydrophobicContact CG2-CG1 3.57Å; V291-V346 HydrophobicContact CG1-CG2 4.48Å; G330-V346 PolarHBondContact O-N 2.89Å; T332-V346 HydrophobicContact CG2-CB 3.9Å; T332-V346 HydrophobicContact CG2-CG2 3.11Å |
| 347 | F | 97.6 | Very high | 97.8 | Very high | 2 Ų | 2 | 28.8 Ų | 28.8 | 1% | 0.009 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -142 | 2.2 | -169.1 | 56 | -108.4 | 0 | 0 | 0 | 114.6 | T50 G51 I74 K75 F77 Y294 P300 T345 | T50-F347 CarbonylContact C-O 3.52Å; G51-F347 VanDerWaalsContact CA-C 3.47Å; G51-F347 VanDerWaalsContact CA-CA 3.49Å; G51-F347 PolarHBondContact N-O 2.99Å; I74-F347 HydrophobicContact CG2-CD1 3.74Å; I74-F347 HydrophobicContact CG2-CE1 4.34Å; K75-F347 HydrophobicContact CB-CD1 3.94Å; K75-F347 HydrophobicContact CB-CD2 4.23Å; K75-F347 HydrophobicContact CB-CE1 3.91Å; K75-F347 HydrophobicContact CB-CE2 4.21Å; K75-F347 HydrophobicContact CB-CG 4.11Å; K75-F347 HydrophobicContact CB-CZ 4.06Å; K75-F347 HydrophobicContact CG-CD2 4.09Å; K75-F347 HydrophobicContact CG-CE2 4.14Å; K75-F347 HydrophobicContact CG-CG 4.37Å; K75-F347 HydrophobicContact CG-CZ 4.45Å; K75-F347 WeakPolarHBondContact O-CB 3.3Å; K75-F347 WeakPolarHBondContact O-CD1 3.27Å; K75-F347 VanDerWaalsContact O-CG 3.29Å; K75-F347 WeakPolarHBondContact O-CG 3.19Å; F77-F347 HydrophobicContact CD2-CD2 4.12Å; F77-F347 WeakPolarHBondContact CD2-O 3.32Å; F77-F347 AromaticContact CE2-CD2 3.62Å; F77-F347 HydrophobicContact CE2-CD2 3.62Å; F77-F347 AromaticContact CE2-CE2 3.96Å; F77-F347 HydrophobicContact CE2-CE2 3.96Å; F77-F347 HydrophobicContact CZ-CD2 4.5Å; F77-F347 HydrophobicContact CZ-CE2 4.49Å; Y294-F347 AromaticContact CD2-CE2 3.92Å; Y294-F347 HydrophobicContact CD2-CE2 3.92Å; Y294-F347 AromaticContact CD2-CZ 3.66Å; Y294-F347 HydrophobicContact CD2-CZ 3.66Å; Y294-F347 AromaticContact CE2-CE2 3.92Å; Y294-F347 HydrophobicContact CE2-CE2 3.92Å; Y294-F347 HydrophobicContact CE2-CZ 4.1Å; P300-F347 HydrophobicContact CG-CZ 3.97Å; T345-F347 VanDerWaalsContact C-N 3.33Å; T345-F347 PolarHBondContact O-N 2.91Å |
| 348 | H | 98.3 | Very high | 97.8 | Very high | 21 Ų | 21 | 28.7 Ų | 28.7 | 10% | 0.097 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -108.8 | -133.1 | -173.6 | -170.1 | -114.4 | 0 | 0 | 0 | 111.3 | E49 T50 G51 Q329 T345 | E49-H348 CarbonylContact C-O 3.58Å; E49-H348 VanDerWaalsContact C-O 3.29Å; T50-H348 PolarHBondContact N-O 3.48Å; G51-H348 WeakPolarHBondContact CA-O 3.43Å; G51-H348 PolarHBondContact N-O 3.42Å; Q329-H348 HydrophobicContact CB-CB 4.13Å; Q329-H348 PolarHBondContact N-ND1 2.9Å; T345-H348 HydrophobicContact CG2-CB 4.48Å; T345-H348 VanDerWaalsContact OG1-CA 3.31Å; T345-H348 WeakPolarHBondContact OG1-CA 3.48Å; T345-H348 WeakPolarHBondContact OG1-CB 3.39Å; T345-H348 PolarHBondContact OG1-N 3.49Å; T345-H348 VanDerWaalsContact OG1-N 3.08Å |
| 349 | K | 98.6 | Very high | 97.8 | Very high | 44 Ų | 44 | 21.3 Ų | 21.3 | 19% | 0.191 | 11% | 0.114 | C | C | . | . | trans | -97.7 | -178.4 | -176 | -56.8 | -178.2 | -171.4 | -125.7 | 0 | 111.3 | L44 I48 E49 S52 L328 T345 | L44-K349 HydrophobicContact CD1-CD 3.75Å; L44-K349 HydrophobicContact CD2-CB 3.94Å; L44-K349 HydrophobicContact CD2-CD 3.87Å; L44-K349 HydrophobicContact CG-CD 4.33Å; I48-K349 WeakPolarHBondContact O-CA 3.47Å; I48-K349 WeakPolarHBondContact O-CG 3.43Å; E49-K349 VanDerWaalsContact CD-NZ 3.26Å; E49-K349 IonicContact OE1-NZ 3.95Å; E49-K349 PolarHBondContact OE1-NZ 2.9Å; E49-K349 WeakPolarHBondContact OE2-CE 3.44Å; E49-K349 IonicContact OE2-NZ 3.39Å; E49-K349 PolarHBondContact OE2-NZ 2.86Å; S52-K349 PolarHBondContact OG-O 2.81Å; S52-K349 VanDerWaalsContact OG-O 3.09Å; L328-K349 HydrophobicContact CD1-CB 4.2Å; L328-K349 WeakPolarHBondContact CD1-O 3.42Å; T345-K349 WeakPolarHBondContact CB-O 3.31Å; T345-K349 VanDerWaalsContact CG2-O 3.24Å; T345-K349 WeakPolarHBondContact CG2-O 3.48Å; T345-K349 PolarHBondContact OG1-N 3.3Å; T345-K349 PolarHBondContact OG1-O 3.49Å | ||
| 350 | A | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.096 | C | C | . | . | trans | -116.4 | 155.8 | 163.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | L44 V45 I48 I343 | L44-A350 WeakPolarHBondContact CA-O 3.39Å; V45-A350 HydrophobicContact CB-CB 4.11Å; V45-A350 HydrophobicContact CG2-CB 3.96Å; V45-A350 PolarHBondContact N-O 2.89Å; I48-A350 HydrophobicContact CB-CB 4.33Å; I48-A350 HydrophobicContact CD1-CB 3.68Å; I48-A350 HydrophobicContact CG2-CB 4.11Å; I343-A350 CarbonylContact O-C 3.57Å; I343-A350 VanDerWaalsContact O-CA 3.22Å; I343-A350 WeakPolarHBondContact O-CA 3.39Å; I343-A350 WeakPolarHBondContact O-CB 3.37Å | ||
| 351 | L | 98.6 | Very high | 97.9 | Very high | 1 Ų | 1 | 17.9 Ų | 17.9 | 1% | 0.005 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 136.8 | 179 | -164.3 | 74 | 0 | 0 | 0 | 110.6 | C42 L44 Y321 V327 L328 L342 I343 C353 | C42-L351 HydrophobicContact CB-CD1 4.1Å; C42-L351 HydrophobicContact CB-CD2 3.92Å; C42-L351 HydrophobicContact CB-CG 4.04Å; L44-L351 HydrophobicContact CD2-CD1 3.79Å; L44-L351 HydrophobicContact CG-CD1 4.18Å; Y321-L351 HydrophobicContact CE1-CD2 4.15Å; Y321-L351 HydrophobicContact CE2-CD2 3.91Å; Y321-L351 WeakPolarHBondContact OH-CD2 3.44Å; V327-L351 HydrophobicContact CG1-CD1 4.02Å; L328-L351 HydrophobicContact CD1-CB 4.08Å; L328-L351 HydrophobicContact CD2-CB 3.75Å; L328-L351 HydrophobicContact CD2-CD2 4.36Å; L328-L351 HydrophobicContact CG-CB 4.38Å; L342-L351 WeakPolarHBondContact CA-O 3.49Å; I343-L351 HydrophobicContact CB-CB 4.32Å; I343-L351 HydrophobicContact CD1-CD2 4.24Å; I343-L351 PolarHBondContact N-O 2.89Å; I343-L351 PolarHBondContact O-N 3.25Å; L351-C353 VanDerWaalsContact CD2-SG 3.59Å |
| 352 | Y | 98.6 | Very high | 97.8 | Very high | 21 Ų | 21 | 19.1 Ų | 19.1 | 8% | 0.082 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 123.4 | 177.4 | -173.4 | -121.2 | 0 | 0 | 0 | 110 | C42 N43 M88 L90 P95 K340 L341 L342 | C42-Y352 CarbonylContact C-O 3.52Å; C42-Y352 WeakPolarHBondContact CA-O 3.49Å; N43-Y352 PolarHBondContact N-O 3.39Å; N43-Y352 PolarHBondContact O-N 3.3Å; M88-Y352 HydrophobicContact CE-CD1 4.33Å; M88-Y352 HydrophobicContact CE-CD2 3.91Å; M88-Y352 HydrophobicContact CE-CE1 4.47Å; M88-Y352 HydrophobicContact CE-CE2 4.06Å; M88-Y352 HydrophobicContact CE-CG 4.02Å; L90-Y352 HydrophobicContact CD2-CE2 3.9Å; P95-Y352 HydrophobicContact CG-CD1 3.99Å; P95-Y352 HydrophobicContact CG-CE1 3.57Å; K340-Y352 HydrophobicContact CB-CD2 4.45Å; K340-Y352 HydrophobicContact CB-CE2 3.51Å; K340-Y352 HydrophobicContact CD-CE1 4.31Å; K340-Y352 HydrophobicContact CG-CE2 4.15Å; K340-Y352 VanDerWaalsContact CG-OH 3.24Å; K340-Y352 WeakPolarHBondContact CG-OH 3.33Å; L341-Y352 CarbonylContact O-C 3.29Å; L341-Y352 WeakPolarHBondContact O-CA 3.33Å; L342-Y352 HydrophobicContact CB-CD2 4.26Å; L342-Y352 HydrophobicContact CD1-CD2 4.21Å |
| 353 | C | 98.1 | Very high | 97.7 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 159 | -169.8 | -57.6 | 0 | 0 | 0 | 0 | 112.6 | L39 C42 K340 L341 L351 | L39-C353 HydrophobicContact CB-CB 4.28Å; L39-C353 HydrophobicContact CD1-CB 3.97Å; C42-C353 HydrophobicContact CB-CB 4.13Å; C42-C353 WeakPolarHBondContact CB-SG 3.37Å; C42-C353 WeakPolarHBondContact SG-CB 3.34Å; C42-C353 CovalentContact SG-SG 2.04Å; C42-C353 PolarHBondContact SG-SG 2.99Å; K340-C353 CarbonylContact C-O 3.35Å; K340-C353 VanDerWaalsContact CA-O 3.3Å; K340-C353 WeakPolarHBondContact CA-O 3.42Å; L341-C353 HydrophobicContact CB-CB 4.37Å; L341-C353 PolarHBondContact N-O 3.29Å; L341-C353 PolarHBondContact O-N 2.92Å; L351-C353 VanDerWaalsContact CD2-SG 3.59Å |
| 354 | E | 96.9 | Very high | 97.7 | Very high | 61 Ų | 61 | 22.3 Ų | 22.3 | 29% | 0.285 | 11% | 0.108 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 144.9 | 162.5 | -53 | -64.4 | 146.3 | 0 | 0 | 110 | P40 N41 K340 | P40-E354 HydrophobicContact CG-CB 4.32Å; P40-E354 PolarHBondContact O-N 3.02Å; N41-E354 HydrophobicContact CB-CG 3.76Å; K340-E354 WeakPolarHBondContact CD-OE2 3.5Å; K340-E354 IonicContact NZ-OE1 2.69Å; K340-E354 PolarHBondContact NZ-OE1 3.06Å; K340-E354 IonicContact NZ-OE2 2.67Å; K340-E354 PolarHBondContact NZ-OE2 3.13Å |
| 355 | L | 94.3 | Very high | 97.5 | Very high | 105 Ų | 105 | 24.3 Ų | 24.3 | 55% | 0.55 | 12% | 0.117 | S | C | . | . | trans | -95 | 0 | 174.5 | -72.7 | 172.1 | 0 | 0 | 0 | 113.8 | L39 W281 V320 V336 G339 L341 | L39-L355 HydrophobicContact CD1-CD2 4.16Å; L39-L355 HydrophobicContact CD2-CD2 4.38Å; W281-L355 HydrophobicContact CH2-CD1 4.06Å; W281-L355 HydrophobicContact CH2-CD2 4.23Å; W281-L355 HydrophobicContact CZ3-CD2 4.48Å; V320-L355 HydrophobicContact CG1-CD2 3.64Å; V336-L355 HydrophobicContact CB-CD1 4.27Å; V336-L355 HydrophobicContact CG1-CD1 3.67Å; G339-L355 WeakPolarHBondContact O-CB 3.35Å; G339-L355 PolarHBondContact O-N 3.29Å; L341-L355 HydrophobicContact CB-CD1 4.36Å; L341-L355 HydrophobicContact CB-CD2 3.96Å; L341-L355 HydrophobicContact CB-CG 4.02Å; L341-L355 HydrophobicContact CD2-CD2 4.23Å |
Retrieved 355 of 355 residues in 2997 ms
(Link to these results)