| 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 | 61 | Low | 63.9 | Low | 220 Ų | 220 | 134.2 Ų | 134.2 | 100% | 1.084 | 65% | 0.651 | S | S | * | * | 0 | -38.4 | 0 | -131 | 158.3 | 77.2 | 0 | 0 | 113 | Y3 K4 | M1-Y3 PolarHBondContact O-N 2.98Å; M1-K4 PolarHBondContact O-N 3.41Å | |||
| 2 | L | 62.2 | Low | 63.8 | Low | 153 Ų | 153 | 132.2 Ų | 132.2 | 80% | 0.801 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -58.4 | -39.7 | 179.3 | -96 | 82.1 | 0 | 0 | 0 | 115.4 | K4 L5 F6 | L2-K4 VanDerWaalsContact C-N 3.32Å; L2-K4 PolarHBondContact O-N 3.28Å; L2-L5 WeakPolarHBondContact O-CB 3.41Å; L2-L5 PolarHBondContact O-N 3.16Å; L2-L5 VanDerWaalsContact O-N 3.14Å; L2-F6 PolarHBondContact O-N 3.31Å |
| 3 | Y | 61.5 | Low | 63.4 | Low | 203 Ų | 203 | 133.5 Ų | 133.5 | 80% | 0.796 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -64.6 | -31.6 | -176.6 | -111.6 | -91.1 | 0 | 0 | 0 | 114.1 | M1 L7 | M1-Y3 PolarHBondContact O-N 2.98Å; Y3-L7 PolarHBondContact O-N 2.82Å |
| 4 | K | 64.2 | Low | 62.7 | Low | 169 Ų | 169 | 131.4 Ų | 131.4 | 74% | 0.735 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -71.9 | -32.9 | 175.5 | -78.3 | -171.6 | 175.3 | -175.3 | 0 | 111.9 | M1 L2 I8 | M1-K4 PolarHBondContact O-N 3.41Å; L2-K4 VanDerWaalsContact C-N 3.32Å; L2-K4 PolarHBondContact O-N 3.28Å; K4-I8 WeakPolarHBondContact O-CD1 3.16Å; K4-I8 VanDerWaalsContact O-CG1 3.26Å; K4-I8 WeakPolarHBondContact O-CG1 3.46Å; K4-I8 PolarHBondContact O-N 3.42Å |
| 5 | L | 63 | Low | 62 | Low | 121 Ų | 121 | 133.1 Ų | 133.1 | 63% | 0.634 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -68 | -40.8 | 177.9 | -137.1 | 82.6 | 0 | 0 | 0 | 111.1 | L2 I8 C9 | L2-L5 WeakPolarHBondContact O-CB 3.41Å; L2-L5 PolarHBondContact O-N 3.16Å; L2-L5 VanDerWaalsContact O-N 3.14Å; L5-I8 PolarHBondContact O-N 3.02Å; L5-C9 PolarHBondContact O-N 3.29Å; L5-C9 PolarHBondContact O-SG 3.17Å; L5-C9 VanDerWaalsContact O-SG 3.34Å |
| 6 | F | 67.3 | Low | 61.3 | Low | 155 Ų | 155 | 128.9 Ų | 128.9 | 68% | 0.68 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -65.8 | -42.2 | -178.5 | -144.1 | -92.8 | 0 | 0 | 0 | 112.5 | L2 C9 T10 | L2-F6 PolarHBondContact O-N 3.31Å; F6-C9 PolarHBondContact O-N 2.82Å; F6-T10 HydrophobicContact CD1-CG2 4.33Å; F6-T10 HydrophobicContact CE1-CG2 4.44Å; F6-T10 PolarHBondContact O-N 2.99Å; F6-T10 PolarHBondContact O-OG1 2.87Å |
| 7 | L | 69.4 | Low | 60.4 | Low | 97 Ų | 97 | 128.9 Ų | 128.9 | 51% | 0.508 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -63.6 | -40 | 176.8 | -100.3 | 142.9 | 0 | 0 | 0 | 112.6 | Y3 T10 F11 | Y3-L7 PolarHBondContact O-N 2.82Å; L7-T10 WeakPolarHBondContact CA-OG1 3.34Å; L7-T10 PolarHBondContact O-N 2.89Å; L7-T10 PolarHBondContact O-OG1 3.46Å; L7-F11 HydrophobicContact CD2-CD2 4.46Å; L7-F11 HydrophobicContact CD2-CE2 4.31Å; L7-F11 WeakPolarHBondContact O-CD2 3.36Å; L7-F11 PolarHBondContact O-N 3.49Å |
| 8 | I | 68.7 | Low | 59.3 | Low | 100 Ų | 100 | 126.1 Ų | 126.1 | 51% | 0.513 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -67.1 | -42.9 | 176.9 | -65.4 | 166.6 | 0 | 0 | 0 | 110.2 | K4 L5 T10 F11 I12 | K4-I8 WeakPolarHBondContact O-CD1 3.16Å; K4-I8 VanDerWaalsContact O-CG1 3.26Å; K4-I8 WeakPolarHBondContact O-CG1 3.46Å; K4-I8 PolarHBondContact O-N 3.42Å; L5-I8 PolarHBondContact O-N 3.02Å; I8-T10 PolarHBondContact O-N 3.04Å; I8-F11 PolarHBondContact O-N 3.28Å; I8-I12 HydrophobicContact CG2-CD1 3.76Å; I8-I12 HydrophobicContact CG2-CG1 4.43Å; I8-I12 VanDerWaalsContact O-CG1 3.28Å; I8-I12 WeakPolarHBondContact O-CG1 3.49Å; I8-I12 PolarHBondContact O-N 2.85Å |
| 9 | C | 63.1 | Low | 58.3 | Low | 77 Ų | 77 | 126 Ų | 126 | 52% | 0.52 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -62.8 | -39.8 | 176.2 | -70.2 | 0 | 0 | 0 | 0 | 112.7 | L5 F6 I12 Y13 | L5-C9 PolarHBondContact O-N 3.29Å; L5-C9 PolarHBondContact O-SG 3.17Å; L5-C9 VanDerWaalsContact O-SG 3.34Å; F6-C9 PolarHBondContact O-N 2.82Å; C9-I12 PolarHBondContact O-N 3.5Å; C9-Y13 WeakPolarHBondContact O-CB 3.5Å; C9-Y13 PolarHBondContact O-N 3.47Å |
| 10 | T | 64.7 | Low | 57.3 | Low | 55 Ų | 55 | 123.9 Ų | 123.9 | 34% | 0.337 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -69 | -37.1 | 176.1 | 48.8 | 0 | 0 | 0 | 0 | 112.5 | F6 L7 I8 Y13 I14 | F6-T10 HydrophobicContact CD1-CG2 4.33Å; F6-T10 HydrophobicContact CE1-CG2 4.44Å; F6-T10 PolarHBondContact O-N 2.99Å; F6-T10 PolarHBondContact O-OG1 2.87Å; L7-T10 WeakPolarHBondContact CA-OG1 3.34Å; L7-T10 PolarHBondContact O-N 2.89Å; L7-T10 PolarHBondContact O-OG1 3.46Å; I8-T10 PolarHBondContact O-N 3.04Å; T10-Y13 PolarHBondContact O-N 2.89Å; T10-I14 WeakPolarHBondContact O-CB 3.25Å; T10-I14 WeakPolarHBondContact O-CD1 3.47Å; T10-I14 WeakPolarHBondContact O-CG1 3.31Å; T10-I14 PolarHBondContact O-N 3.41Å |
| 11 | F | 57.9 | Low | 56.6 | Low | 126 Ų | 126 | 120.5 Ų | 120.5 | 55% | 0.553 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -67.8 | -38.7 | 175.8 | -98.8 | -86.5 | 0 | 0 | 0 | 111.9 | L7 I8 I14 Y15 | L7-F11 HydrophobicContact CD2-CD2 4.46Å; L7-F11 HydrophobicContact CD2-CE2 4.31Å; L7-F11 WeakPolarHBondContact O-CD2 3.36Å; L7-F11 PolarHBondContact O-N 3.49Å; I8-F11 PolarHBondContact O-N 3.28Å; F11-I14 PolarHBondContact O-N 3.5Å; F11-Y15 WeakPolarHBondContact O-CB 3.16Å; F11-Y15 PolarHBondContact O-N 3.33Å |
| 12 | I | 62.3 | Low | 55.8 | Low | 110 Ų | 110 | 115 Ų | 115 | 56% | 0.564 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -66.4 | -39.2 | 173.6 | -65.8 | 167.7 | 0 | 0 | 0 | 110.7 | I8 C9 Y15 A16 | I8-I12 HydrophobicContact CG2-CD1 3.76Å; I8-I12 HydrophobicContact CG2-CG1 4.43Å; I8-I12 VanDerWaalsContact O-CG1 3.28Å; I8-I12 WeakPolarHBondContact O-CG1 3.49Å; I8-I12 PolarHBondContact O-N 2.85Å; C9-I12 PolarHBondContact O-N 3.5Å; I12-Y15 PolarHBondContact O-N 3.15Å; I12-A16 WeakPolarHBondContact O-CB 3.38Å; I12-A16 PolarHBondContact O-N 3.35Å |
| 13 | Y | 58.6 | Low | 54.9 | Low | 149 Ų | 149 | 112.3 Ų | 112.3 | 58% | 0.584 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -67.5 | -41.8 | 177 | -167.5 | -96.2 | 0 | 0 | 0 | 112.1 | C9 T10 A16 Q17 | C9-Y13 WeakPolarHBondContact O-CB 3.5Å; C9-Y13 PolarHBondContact O-N 3.47Å; T10-Y13 PolarHBondContact O-N 2.89Å; Y13-A16 PolarHBondContact O-N 3.19Å; Y13-Q17 HydrophobicContact CD1-CG 4.45Å; Y13-Q17 HydrophobicContact CE1-CG 4.19Å; Y13-Q17 WeakPolarHBondContact O-CG 3.5Å; Y13-Q17 PolarHBondContact O-N 3.3Å; Y13-Q17 PolarHBondContact OH-NE2 2.82Å |
| 14 | I | 53.8 | Low | 53.8 | Low | 104 Ų | 104 | 110.6 Ų | 110.6 | 53% | 0.533 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -68.3 | -39.6 | 176.3 | -65.5 | 165.1 | 0 | 0 | 0 | 110.7 | T10 F11 Q17 S18 | T10-I14 WeakPolarHBondContact O-CB 3.25Å; T10-I14 WeakPolarHBondContact O-CD1 3.47Å; T10-I14 WeakPolarHBondContact O-CG1 3.31Å; T10-I14 PolarHBondContact O-N 3.41Å; F11-I14 PolarHBondContact O-N 3.5Å; I14-Q17 PolarHBondContact O-N 3.18Å; I14-S18 WeakPolarHBondContact O-CB 3.48Å; I14-S18 PolarHBondContact O-N 3.06Å; I14-S18 PolarHBondContact O-OG 2.85Å; I14-S18 VanDerWaalsContact O-OG 3.08Å |
| 15 | Y | 51.9 | Low | 52.3 | Low | 157 Ų | 157 | 106 Ų | 106 | 62% | 0.616 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -66 | -36.3 | 172.6 | -105.4 | -92 | 0 | 0 | 0 | 112.6 | F11 I12 Q17 S18 I19 | F11-Y15 WeakPolarHBondContact O-CB 3.16Å; F11-Y15 PolarHBondContact O-N 3.33Å; I12-Y15 PolarHBondContact O-N 3.15Å; Y15-Q17 VanDerWaalsContact C-N 3.28Å; Y15-Q17 PolarHBondContact O-N 3.23Å; Y15-S18 WeakPolarHBondContact CA-OG 3.46Å; Y15-S18 PolarHBondContact O-N 2.87Å; Y15-S18 PolarHBondContact O-OG 2.92Å; Y15-I19 WeakPolarHBondContact O-CG1 3.46Å; Y15-I19 PolarHBondContact O-N 3.44Å |
| 16 | A | 51.2 | Low | 50.8 | Low | 66 Ų | 66 | 105 Ų | 105 | 55% | 0.545 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -69.8 | -25.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | I12 Y13 | I12-A16 WeakPolarHBondContact O-CB 3.38Å; I12-A16 PolarHBondContact O-N 3.35Å; Y13-A16 PolarHBondContact O-N 3.19Å |
| 17 | Q | 45.8 | Very low | 49.3 | Very low | 130 Ų | 130 | 101.8 Ų | 101.8 | 61% | 0.607 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -88.9 | -20.8 | 173.5 | -64.4 | -143.3 | -28.3 | 0 | 0 | 113.8 | Y13 I14 Y15 | Y13-Q17 HydrophobicContact CD1-CG 4.45Å; Y13-Q17 HydrophobicContact CE1-CG 4.19Å; Y13-Q17 WeakPolarHBondContact O-CG 3.5Å; Y13-Q17 PolarHBondContact O-N 3.3Å; Y13-Q17 PolarHBondContact OH-NE2 2.82Å; I14-Q17 PolarHBondContact O-N 3.18Å; Y15-Q17 VanDerWaalsContact C-N 3.28Å; Y15-Q17 PolarHBondContact O-N 3.23Å |
| 18 | S | 41.5 | Very low | 47.5 | Very low | 78 Ų | 78 | 103.3 Ų | 103.3 | 55% | 0.545 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -88.9 | -9.5 | 177.5 | 60.8 | 0 | 0 | 0 | 0 | 114.3 | I14 Y15 C20 | I14-S18 WeakPolarHBondContact O-CB 3.48Å; I14-S18 PolarHBondContact O-N 3.06Å; I14-S18 PolarHBondContact O-OG 2.85Å; I14-S18 VanDerWaalsContact O-OG 3.08Å; Y15-S18 WeakPolarHBondContact CA-OG 3.46Å; Y15-S18 PolarHBondContact O-N 2.87Å; Y15-S18 PolarHBondContact O-OG 2.92Å; S18-C20 PolarHBondContact O-N 3.42Å |
| 19 | I | 39.6 | Very low | 45.5 | Very low | 124 Ų | 124 | 100.7 Ų | 100.7 | 64% | 0.636 | 51% | 0.514 | S | S | * | . | trans | -80 | 60.6 | 158.8 | -52.3 | 161.4 | 0 | 0 | 0 | 107.6 | Y15 S21 | Y15-I19 WeakPolarHBondContact O-CG1 3.46Å; Y15-I19 PolarHBondContact O-N 3.44Å; I19-S21 PolarHBondContact O-N 2.71Å | ||
| 20 | C | 38.8 | Very low | 44.7 | Very low | 83 Ų | 83 | 97.1 Ų | 97.1 | 56% | 0.561 | 49% | 0.49 | S | S | * | . | trans | -71.6 | 79.7 | 150.7 | -159.5 | 0 | 0 | 0 | 0 | 104.5 | S18 S22 Y237 | S18-C20 PolarHBondContact O-N 3.42Å; C20-S22 PolarHBondContact O-N 3.15Å; C20-Y237 VanDerWaalsContact CB-OH 3.32Å; C20-Y237 WeakPolarHBondContact CB-OH 3.34Å; C20-Y237 PolarHBondContact O-OH 3.16Å; C20-Y237 PolarHBondContact SG-OH 2.59Å | ||
| 21 | S | 42.3 | Very low | 44 | Very low | 54 Ų | 54 | 95.2 Ų | 95.2 | 38% | 0.378 | 48% | 0.477 | S | S | . | . | trans | -47.6 | 133.2 | 178.3 | 49.9 | 0 | 0 | 0 | 0 | 108 | I19 E23 | I19-S21 PolarHBondContact O-N 2.71Å; S21-E23 WeakPolarHBondContact O-CG 3.44Å; S21-E23 PolarHBondContact O-N 3.36Å; S21-E23 WeakPolarHBondContact OG-CG 3.24Å | ||
| 22 | S | 44.6 | Very low | 43.8 | Very low | 104 Ų | 104 | 90.8 Ų | 90.8 | 73% | 0.727 | 46% | 0.459 | S | S | * | . | trans | -51.9 | 93.6 | 157.8 | 167.4 | 0 | 0 | 0 | 0 | 107.4 | C20 R24 | C20-S22 PolarHBondContact O-N 3.15Å; S22-R24 PolarHBondContact O-N 2.83Å | ||
| 23 | E | 42.2 | Very low | 43.7 | Very low | 97 Ų | 97 | 87.8 Ų | 87.8 | 45% | 0.453 | 46% | 0.455 | S | S | . | . | trans | -80.3 | 112.8 | -173.7 | -72.1 | -169.3 | 167.1 | 0 | 0 | 108.3 | S21 K286 | S21-E23 WeakPolarHBondContact O-CG 3.44Å; S21-E23 PolarHBondContact O-N 3.36Å; S21-E23 WeakPolarHBondContact OG-CG 3.24Å; E23-K286 IonicContact OE1-NZ 3.76Å; E23-K286 PolarHBondContact OE1-NZ 3.29Å; E23-K286 VanDerWaalsContact OE2-CE 3.31Å; E23-K286 WeakPolarHBondContact OE2-CE 2.9Å; E23-K286 IonicContact OE2-NZ 2.68Å; E23-K286 PolarHBondContact OE2-NZ 3.42Å | ||
| 24 | R | 38.7 | Very low | 44.2 | Very low | 167 Ų | 167 | 81.8 Ų | 81.8 | 63% | 0.63 | 44% | 0.439 | S | S | * | . | trans | -52 | 142 | 174.5 | -74.9 | -173 | -177.7 | 176 | 5 | 111 | S22 N26 D92 | S22-R24 PolarHBondContact O-N 2.83Å; R24-N26 PolarHBondContact O-N 2.84Å; R24-D92 IonicContact CZ-OD1 2.75Å; R24-D92 IonicContact NH1-OD1 2.65Å; R24-D92 PolarHBondContact NH1-OD1 2.89Å; R24-D92 IonicContact NH2-OD1 3.62Å; R24-D92 PolarHBondContact NH2-OD1 2.8Å; R24-D92 IonicContact NH2-OD2 3.6Å; R24-D92 PolarHBondContact NH2-OD2 3.5Å | ||
| 25 | L | 34.1 | Very low | 45.4 | Very low | 72 Ų | 72 | 84 Ų | 84 | 38% | 0.377 | 45% | 0.447 | S | S | . | . | trans | -69 | 73.3 | 177.7 | -65.8 | 175.7 | 0 | 0 | 0 | 111.7 | R27 L157 A282 | L25-R27 PolarHBondContact O-N 2.96Å; L25-L157 HydrophobicContact CD1-CD1 4.07Å; L25-L157 HydrophobicContact CD1-CD2 3.9Å; L25-L157 HydrophobicContact CD1-CG 4.31Å; L25-A282 HydrophobicContact CD1-CB 4.22Å | ||
| 26 | N | 31.2 | Very low | 46.7 | Very low | 100 Ų | 100 | 80 Ų | 80 | 54% | 0.535 | 44% | 0.441 | S | S | . | . | trans | -68.2 | 124.1 | -173.6 | -160.1 | -29 | 0 | 0 | 0 | 111.1 | R24 F28 S285 | R24-N26 PolarHBondContact O-N 2.84Å; N26-F28 VanDerWaalsContact C-N 3.29Å; N26-F28 PolarHBondContact O-N 3.4Å; N26-F28 WeakPolarHBondContact OD1-CD2 3.25Å; N26-F28 WeakPolarHBondContact OD1-CE2 3.14Å; N26-S285 VanDerWaalsContact O-CB 3.29Å; N26-S285 WeakPolarHBondContact O-CB 3.5Å | ||
| 27 | R | 35.1 | Very low | 48.1 | Very low | 88 Ų | 88 | 77.9 Ų | 77.9 | 33% | 0.332 | 42% | 0.422 | S | S | . | . | trans | -79.8 | 71.9 | -169.5 | -73.3 | 175.7 | -75.6 | 167.8 | 3.9 | 111.7 | L25 Y86 D87 P259 | L25-R27 PolarHBondContact O-N 2.96Å; R27-Y86 PolarHBondContact NH1-O 2.81Å; R27-D87 IonicContact CZ-OD1 2.75Å; R27-D87 IonicContact NH1-OD1 2.99Å; R27-D87 IonicContact NH2-OD1 3.7Å; R27-D87 PolarHBondContact NH2-OD1 3.31Å; R27-P259 HydrophobicContact CB-CG 4.42Å | ||
| 28 | F | 30.7 | Very low | 49.7 | Very low | 129 Ų | 129 | 75.9 Ų | 75.9 | 57% | 0.566 | 42% | 0.42 | S | S | * | . | trans | -130 | 161.7 | 158.3 | -64.9 | -81.1 | 0 | 0 | 0 | 109.5 | N26 P259 | N26-F28 VanDerWaalsContact C-N 3.29Å; N26-F28 PolarHBondContact O-N 3.4Å; N26-F28 WeakPolarHBondContact OD1-CD2 3.25Å; N26-F28 WeakPolarHBondContact OD1-CE2 3.14Å; F28-P259 WeakPolarHBondContact O-CD 3.31Å | ||
| 29 | K | 28.3 | Very low | 51.3 | Low | 44 Ų | 44 | 76.9 Ų | 76.9 | 19% | 0.191 | 41% | 0.412 | C | S | . | . | trans | 153.8 | 171.3 | 179.8 | -40 | 169.1 | -146.1 | -179.4 | 0 | 110.2 | V209 D210 C258 K286 P288 | K29-V209 HydrophobicContact CD-CG1 4.1Å; K29-V209 HydrophobicContact CD-CG2 4.39Å; K29-D210 VanDerWaalsContact CE-OD2 3.23Å; K29-D210 WeakPolarHBondContact CE-OD2 3.33Å; K29-D210 WeakPolarHBondContact CG-OD1 3.33Å; K29-C258 VanDerWaalsContact C-SG 3.56Å; K29-K286 PolarHBondContact NZ-O 3.33Å; K29-P288 HydrophobicContact CB-CG 3.53Å; K29-P288 HydrophobicContact CD-CG 4.48Å | ||
| 30 | R | 45.5 | Very low | 53.3 | Low | 3 Ų | 3 | 72.4 Ų | 72.4 | 1% | 0.011 | 40% | 0.397 | C | S | . | . | trans | -166.5 | 118.1 | 172.7 | -71.3 | -135.5 | -157.2 | 143.5 | -107.4 | 115.5 | I32 C206 F208 V209 D210 G211 P212 C258 | R30-I32 WeakPolarHBondContact O-CG1 3.19Å; R30-C206 CarbonylContact C-O 3.58Å; R30-C206 WeakPolarHBondContact CA-O 3.17Å; R30-C206 VanDerWaalsContact CB-C 3.42Å; R30-C206 HydrophobicContact CB-CB 3.98Å; R30-C206 WeakPolarHBondContact CB-O 3.43Å; R30-C206 HydrophobicContact CG-CB 3.35Å; R30-F208 WeakPolarHBondContact CB-O 3.27Å; R30-F208 WeakPolarHBondContact CD-O 3.43Å; R30-F208 WeakPolarHBondContact CG-O 3.49Å; R30-F208 VanDerWaalsContact CZ-O 3.23Å; R30-F208 PolarHBondContact NE-O 3.01Å; R30-F208 VanDerWaalsContact NE-O 3.15Å; R30-F208 PolarHBondContact NH1-O 3.19Å; R30-F208 PolarHBondContact O-N 3Å; R30-V209 PolarHBondContact NH1-O 3.24Å; R30-D210 VanDerWaalsContact NE-C 3.32Å; R30-D210 PolarHBondContact NH1-O 3.37Å; R30-G211 PolarHBondContact NE-O 2.67Å; R30-P212 VanDerWaalsContact CZ-N 3.34Å; R30-P212 PolarHBondContact NH2-O 3.03Å; R30-C258 VanDerWaalsContact CA-CB 3.45Å; R30-C258 VanDerWaalsContact CA-SG 3.57Å; R30-C258 PolarHBondContact N-SG 3.38Å | ||
| 31 | I | 49.5 | Very low | 55.7 | Low | 15 Ų | 15 | 71.6 Ų | 71.6 | 8% | 0.077 | 39% | 0.389 | C | S | . | . | trans | 72.4 | 46.3 | 130.5 | -41.7 | -59.3 | 0 | 0 | 0 | 121.3 | C206 Q218 G256 D261 | I31-C206 WeakPolarHBondContact CA-O 3.36Å; I31-C206 WeakPolarHBondContact CB-O 3.44Å; I31-C206 PolarHBondContact N-O 3.35Å; I31-Q218 HydrophobicContact CG2-CB 3.86Å; I31-Q218 HydrophobicContact CG2-CG 3.76Å; I31-G256 WeakPolarHBondContact CD1-O 3.04Å; I31-D261 WeakPolarHBondContact CD1-OD2 2.98Å; I31-D261 WeakPolarHBondContact CG1-OD2 3Å | ||
| 32 | I | 55 | Low | 58 | Low | 32 Ų | 32 | 70.7 Ų | 70.7 | 16% | 0.164 | 38% | 0.377 | C | S | . | . | B | Isolated β-bridge | trans | -107.3 | 114.7 | -157.2 | -39.9 | -171.3 | 0 | 0 | 0 | 112.2 | R30 G34 G254 K255 G256 P288 A289 | R30-I32 WeakPolarHBondContact O-CG1 3.19Å; I32-G34 VanDerWaalsContact C-N 3.33Å; I32-G34 PolarHBondContact O-N 2.9Å; I32-G254 VanDerWaalsContact CG2-O 3.23Å; I32-G254 WeakPolarHBondContact CG2-O 3.49Å; I32-K255 VanDerWaalsContact O-CA 3.25Å; I32-K255 WeakPolarHBondContact O-CA 3.23Å; I32-G256 PolarHBondContact N-O 2.65Å; I32-G256 PolarHBondContact O-N 2.72Å; I32-P288 HydrophobicContact CD1-CG 4Å; I32-A289 HydrophobicContact CB-CB 4.27Å; I32-A289 HydrophobicContact CD1-CB 3.48Å; I32-A289 VanDerWaalsContact CD1-CB 3.48Å; I32-A289 HydrophobicContact CG1-CB 4.38Å; I32-A289 HydrophobicContact CG2-CB 3.7Å |
| 33 | G | 60.6 | Low | 60.3 | Low | 47 Ų | 47 | 67 Ų | 67 | 49% | 0.485 | 35% | 0.351 | S | S | . | . | S | Bend | trans | 74.6 | 11.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 34 | G | 68.7 | Low | 62.8 | Low | 24 Ų | 24 | 62.9 Ų | 62.9 | 25% | 0.247 | 33% | 0.331 | C | S | . | . | trans | -79.5 | 172.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | I32 A219 | I32-G34 VanDerWaalsContact C-N 3.33Å; I32-G34 PolarHBondContact O-N 2.9Å; G34-A219 CarbonylContact C-O 3.52Å; G34-A219 WeakPolarHBondContact CA-O 3.46Å | ||
| 35 | Q | 78.9 | Confident | 65.5 | Low | 151 Ų | 151 | 55.1 Ų | 55.1 | 71% | 0.706 | 30% | 0.303 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 146 | 175 | -63 | -176.9 | 7.7 | 0 | 0 | 111.2 | V37 Q218 A219 | Q35-V37 PolarHBondContact O-N 3.1Å; Q35-Q218 WeakPolarHBondContact O-CA 3.24Å; Q35-A219 PolarHBondContact N-O 3.49Å; Q35-A219 PolarHBondContact O-N 3.25Å |
| 36 | S | 79.5 | Confident | 68.3 | Low | 71 Ų | 71 | 51.7 Ų | 51.7 | 50% | 0.497 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 129.5 | 171.3 | -60.8 | 0 | 0 | 0 | 0 | 109.3 | Q218 | S36-Q218 PolarHBondContact OG-NE2 3.26Å; S36-Q218 PolarHBondContact OG-OE1 2.65Å |
| 37 | V | 80.8 | Confident | 71.2 | Confident | 23 Ų | 23 | 47 Ų | 47 | 14% | 0.139 | 26% | 0.259 | C | S | . | . | trans | -109.4 | 149.1 | 179 | -61.2 | 0 | 0 | 0 | 0 | 112.1 | Q35 T41 Y42 I217 A219 | Q35-V37 PolarHBondContact O-N 3.1Å; V37-T41 HydrophobicContact CB-CG2 4.21Å; V37-T41 HydrophobicContact CG2-CG2 4.46Å; V37-Y42 HydrophobicContact CB-CE2 4.38Å; V37-Y42 HydrophobicContact CG1-CE2 4.08Å; V37-Y42 HydrophobicContact CG2-CD2 3.77Å; V37-Y42 HydrophobicContact CG2-CE2 3.85Å; V37-I217 HydrophobicContact CG2-CG2 3.58Å; V37-I217 PolarHBondContact N-O 2.83Å; V37-A219 HydrophobicContact CG1-CB 3.91Å | ||
| 38 | P | 77.5 | Confident | 74 | Confident | 87 Ų | 87 | 42.8 Ų | 42.8 | 57% | 0.565 | 24% | 0.244 | S | C | * | . | trans | -59.2 | 156 | 174.7 | -22.7 | 33.3 | 0 | 0 | 0 | 113.2 | G40 T41 | P38-G40 PolarHBondContact O-N 3.15Å; P38-T41 PolarHBondContact O-N 3.13Å; P38-T41 PolarHBondContact O-OG1 2.91Å | ||
| 39 | R | 75.2 | Confident | 76.8 | Confident | 100 Ų | 100 | 36.7 Ų | 36.7 | 38% | 0.377 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | 130.4 | 173 | -166.4 | 177.8 | 177.4 | -179.3 | -4.2 | 110.8 | T41 A108 E110 H177 | R39-T41 VanDerWaalsContact C-N 3.34Å; R39-A108 PolarHBondContact NE-O 2.97Å; R39-A108 PolarHBondContact NH2-O 3.4Å; R39-E110 WeakPolarHBondContact CA-OE1 3.24Å; R39-E110 HydrophobicContact CB-CG 3.67Å; R39-E110 VanDerWaalsContact CB-OE1 3.24Å; R39-E110 WeakPolarHBondContact CB-OE1 3.41Å; R39-E110 HydrophobicContact CG-CG 4.18Å; R39-E110 PolarHBondContact N-OE1 2.99Å; R39-H177 HydrophobicContact CG-CB 3.97Å; R39-H177 PolarHBondContact O-ND1 2.94Å |
| 40 | G | 83.2 | Confident | 79.4 | Confident | 30 Ų | 30 | 34.9 Ų | 34.9 | 31% | 0.309 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.8 | 3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | P38 Y42 P43 | P38-G40 PolarHBondContact O-N 3.15Å; G40-Y42 VanDerWaalsContact C-N 3.28Å; G40-P43 WeakPolarHBondContact O-CD 3.33Å |
| 41 | T | 88 | Confident | 80.5 | Confident | 65 Ų | 65 | 41 Ų | 41 | 40% | 0.399 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -61.1 | -40.3 | 167.3 | -58.4 | 0 | 0 | 0 | 0 | 111.3 | V37 P38 R39 | V37-T41 HydrophobicContact CB-CG2 4.21Å; V37-T41 HydrophobicContact CG2-CG2 4.46Å; P38-T41 PolarHBondContact O-N 3.13Å; P38-T41 PolarHBondContact O-OG1 2.91Å; R39-T41 VanDerWaalsContact C-N 3.34Å |
| 42 | Y | 91.8 | Very high | 80.6 | Confident | 35 Ų | 35 | 47.1 Ų | 47.1 | 14% | 0.137 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -123.9 | 78 | 174.5 | -57.6 | -66.9 | 0 | 0 | 0 | 109.3 | V37 G40 W44 A45 V200 V202 A219 | V37-Y42 HydrophobicContact CB-CE2 4.38Å; V37-Y42 HydrophobicContact CG1-CE2 4.08Å; V37-Y42 HydrophobicContact CG2-CD2 3.77Å; V37-Y42 HydrophobicContact CG2-CE2 3.85Å; G40-Y42 VanDerWaalsContact C-N 3.28Å; Y42-W44 AromaticContact CD1-CH2 3.87Å; Y42-W44 HydrophobicContact CD1-CH2 3.87Å; Y42-W44 AromaticContact CD1-CZ2 3.46Å; Y42-W44 HydrophobicContact CD1-CZ2 3.46Å; Y42-W44 VanDerWaalsContact CD1-CZ2 3.46Å; Y42-W44 HydrophobicContact CE1-CZ2 4.43Å; Y42-W44 AromaticContact CG-CH2 3.96Å; Y42-W44 HydrophobicContact CG-CH2 3.96Å; Y42-W44 AromaticContact CG-CZ2 3.94Å; Y42-W44 HydrophobicContact CG-CZ2 3.94Å; Y42-W44 PolarHBondContact O-N 3.22Å; Y42-A45 VanDerWaalsContact O-CB 3.28Å; Y42-A45 WeakPolarHBondContact O-CB 3.4Å; Y42-A45 PolarHBondContact O-N 2.96Å; Y42-A45 VanDerWaalsContact O-N 3.13Å; Y42-V200 HydrophobicContact CE1-CG1 4.44Å; Y42-V202 HydrophobicContact CD1-CG2 3.89Å; Y42-V202 HydrophobicContact CD2-CB 4.34Å; Y42-V202 HydrophobicContact CD2-CG1 3.7Å; Y42-V202 HydrophobicContact CD2-CG2 3.61Å; Y42-V202 HydrophobicContact CE1-CG2 4.02Å; Y42-V202 HydrophobicContact CE2-CG2 3.78Å; Y42-V202 HydrophobicContact CG-CB 4.41Å; Y42-V202 HydrophobicContact CG-CG1 3.89Å; Y42-V202 HydrophobicContact CG-CG2 3.69Å; Y42-A219 HydrophobicContact CD2-CB 4.38Å; Y42-A219 HydrophobicContact CE2-CB 3.5Å |
| 43 | P | 92.2 | Very high | 80.3 | Confident | 26 Ų | 26 | 54.2 Ų | 54.2 | 17% | 0.169 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -18.2 | -166.3 | 31.4 | -37.9 | 0 | 0 | 0 | 113.5 | G40 A45 H177 L178 D179 | G40-P43 WeakPolarHBondContact O-CD 3.33Å; P43-A45 VanDerWaalsContact C-N 3.32Å; P43-H177 WeakPolarHBondContact CA-O 3.4Å; P43-H177 WeakPolarHBondContact CB-O 3.06Å; P43-L178 WeakPolarHBondContact O-CD1 3.49Å; P43-D179 HydrophobicContact CB-CB 3.93Å; P43-D179 HydrophobicContact CG-CB 3.6Å; P43-D179 PolarHBondContact O-N 3.49Å |
| 44 | W | 94.9 | Very high | 79.5 | Confident | 12 Ų | 12 | 58.4 Ų | 58.4 | 5% | 0.045 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -9.7 | 173.7 | 44.4 | -113.3 | 0 | 0 | 0 | 113.7 | Y42 A46 A71 L72 D179 I181 V202 P265 V267 | Y42-W44 AromaticContact CD1-CH2 3.87Å; Y42-W44 HydrophobicContact CD1-CH2 3.87Å; Y42-W44 AromaticContact CD1-CZ2 3.46Å; Y42-W44 HydrophobicContact CD1-CZ2 3.46Å; Y42-W44 VanDerWaalsContact CD1-CZ2 3.46Å; Y42-W44 HydrophobicContact CE1-CZ2 4.43Å; Y42-W44 AromaticContact CG-CH2 3.96Å; Y42-W44 HydrophobicContact CG-CH2 3.96Å; Y42-W44 AromaticContact CG-CZ2 3.94Å; Y42-W44 HydrophobicContact CG-CZ2 3.94Å; Y42-W44 PolarHBondContact O-N 3.22Å; W44-A46 PolarHBondContact O-N 3.03Å; W44-A71 HydrophobicContact CE3-CB 4.23Å; W44-A71 CarbonylContact O-C 3.08Å; W44-A71 WeakPolarHBondContact O-CA 3.3Å; W44-L72 PolarHBondContact O-N 3.22Å; W44-D179 WeakPolarHBondContact CA-O 3.5Å; W44-D179 WeakPolarHBondContact CB-O 3.03Å; W44-D179 PolarHBondContact N-O 3.24Å; W44-I181 HydrophobicContact CB-CB 3.9Å; W44-I181 HydrophobicContact CB-CG2 4.32Å; W44-I181 HydrophobicContact CD2-CB 4.1Å; W44-I181 HydrophobicContact CG-CB 3.57Å; W44-I181 HydrophobicContact CG-CG1 4.44Å; W44-I181 HydrophobicContact CG-CG2 4.35Å; W44-V202 HydrophobicContact CH2-CB 3.66Å; W44-V202 HydrophobicContact CH2-CG1 4.01Å; W44-V202 HydrophobicContact CH2-CG2 3.61Å; W44-V202 HydrophobicContact CZ2-CG2 4.44Å; W44-V202 HydrophobicContact CZ3-CB 3.99Å; W44-V202 HydrophobicContact CZ3-CG1 4.05Å; W44-V202 HydrophobicContact CZ3-CG2 4.43Å; W44-P265 HydrophobicContact CE3-CB 4.45Å; W44-P265 HydrophobicContact CE3-CG 3.66Å; W44-P265 HydrophobicContact CH2-CB 4.26Å; W44-P265 HydrophobicContact CH2-CG 3.6Å; W44-P265 HydrophobicContact CZ3-CB 3.98Å; W44-P265 HydrophobicContact CZ3-CG 3.01Å; W44-V267 HydrophobicContact CH2-CG1 3.91Å; W44-V267 HydrophobicContact CH2-CG2 4.44Å; W44-V267 HydrophobicContact CZ2-CB 4.33Å; W44-V267 HydrophobicContact CZ2-CG1 3.45Å; W44-V267 VanDerWaalsContact CZ2-CG1 3.45Å; W44-V267 HydrophobicContact CZ2-CG2 3.96Å |
| 45 | A | 94.2 | Very high | 78.3 | Confident | 3 Ų | 3 | 60.6 Ų | 60.6 | 3% | 0.025 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 132.9 | -173.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y42 P43 V202 W204 I217 | Y42-A45 VanDerWaalsContact O-CB 3.28Å; Y42-A45 WeakPolarHBondContact O-CB 3.4Å; Y42-A45 PolarHBondContact O-N 2.96Å; Y42-A45 VanDerWaalsContact O-N 3.13Å; P43-A45 VanDerWaalsContact C-N 3.32Å; A45-V202 HydrophobicContact CB-CG1 4.14Å; A45-W204 HydrophobicContact CB-CH2 3.45Å; A45-W204 VanDerWaalsContact CB-CH2 3.45Å; A45-W204 HydrophobicContact CB-CZ3 3.76Å; A45-I217 HydrophobicContact CB-CD1 3.57Å |
| 46 | A | 94 | Very high | 76.8 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 150.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | W44 G69 A70 I78 V105 R106 M107 W204 | W44-A46 PolarHBondContact O-N 3.03Å; A46-G69 CarbonylContact O-C 3.52Å; A46-A70 HydrophobicContact CB-CB 3.96Å; A46-A70 PolarHBondContact N-O 3.36Å; A46-A70 PolarHBondContact O-N 3.01Å; A46-I78 HydrophobicContact CB-CD1 4.06Å; A46-V105 HydrophobicContact CB-CG1 4.03Å; A46-R106 WeakPolarHBondContact CA-O 3.4Å; A46-M107 HydrophobicContact CB-CG 3.74Å; A46-M107 HydrophobicContact CB-SD 4.34Å; A46-W204 WeakPolarHBondContact O-CZ3 3.15Å |
| 47 | S | 92.3 | Very high | 75.2 | Confident | 1 Ų | 1 | 62.6 Ų | 62.6 | 1% | 0.007 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 122 | 171.7 | 162.7 | 0 | 0 | 0 | 0 | 108.3 | Q49 H66 V105 R106 L112 | S47-Q49 VanDerWaalsContact OG-CG 3.29Å; S47-Q49 WeakPolarHBondContact OG-CG 3.49Å; S47-Q49 PolarHBondContact OG-NE2 2.71Å; S47-H66 PolarHBondContact OG-ND1 3.08Å; S47-V105 WeakPolarHBondContact O-CA 3.38Å; S47-R106 PolarHBondContact N-O 2.99Å; S47-R106 PolarHBondContact O-N 3.02Å; S47-L112 WeakPolarHBondContact OG-CD2 3.5Å |
| 48 | I | 92.1 | Very high | 73.6 | Confident | 1 Ų | 1 | 62.1 Ų | 62.1 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 130.3 | 164.4 | -66.4 | 172.1 | 0 | 0 | 0 | 108 | Y67 C68 A70 T80 W103 V105 F164 | I48-Y67 PolarHBondContact O-N 3.3Å; I48-C68 HydrophobicContact CB-CB 4.45Å; I48-C68 PolarHBondContact N-O 3.25Å; I48-C68 PolarHBondContact O-N 3.47Å; I48-A70 HydrophobicContact CD1-CB 3.83Å; I48-A70 HydrophobicContact CG1-CB 3.86Å; I48-T80 VanDerWaalsContact CD1-CB 3.49Å; I48-T80 HydrophobicContact CD1-CG2 3.51Å; I48-T80 WeakPolarHBondContact CD1-OG1 3.39Å; I48-W103 HydrophobicContact CG2-CD2 4.18Å; I48-W103 HydrophobicContact CG2-CE3 3.25Å; I48-W103 HydrophobicContact CG2-CZ3 3.58Å; I48-V105 HydrophobicContact CG1-CG2 4.45Å; I48-F164 HydrophobicContact CD1-CD2 4.08Å; I48-F164 HydrophobicContact CD1-CE2 3.75Å; I48-F164 HydrophobicContact CD1-CZ 4.05Å; I48-F164 HydrophobicContact CG1-CD2 4.4Å; I48-F164 HydrophobicContact CG1-CE2 4.14Å; I48-F164 HydrophobicContact CG2-CE2 3.91Å; I48-F164 HydrophobicContact CG2-CZ 4.46Å |
| 49 | Q | 89.5 | Confident | 72.1 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 143 | -177.8 | -52.3 | -162.7 | -2.3 | 0 | 0 | 110.5 | S47 E64 Q65 H104 R106 L112 F140 | S47-Q49 VanDerWaalsContact OG-CG 3.29Å; S47-Q49 WeakPolarHBondContact OG-CG 3.49Å; S47-Q49 PolarHBondContact OG-NE2 2.71Å; Q49-E64 HydrophobicContact CB-CB 4.06Å; Q49-E64 PolarHBondContact OE1-O 3.46Å; Q49-Q65 WeakPolarHBondContact CA-O 3.4Å; Q49-Q65 WeakPolarHBondContact CB-O 3.3Å; Q49-H104 PolarHBondContact N-O 3.06Å; Q49-H104 PolarHBondContact O-N 2.78Å; Q49-R106 VanDerWaalsContact NE2-CD 3.33Å; Q49-L112 PolarHBondContact NE2-O 3.06Å; Q49-L112 VanDerWaalsContact NE2-O 3.08Å; Q49-F140 VanDerWaalsContact OE1-CE1 3.22Å |
| 50 | A | 82.9 | Confident | 70.8 | Confident | 6 Ų | 6 | 64.7 Ų | 64.7 | 5% | 0.05 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 161.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | R52 Q65 W103 | A50-R52 PolarHBondContact O-N 3.46Å; A50-Q65 PolarHBondContact N-O 2.75Å; A50-Q65 VanDerWaalsContact N-O 3.11Å; A50-Q65 PolarHBondContact O-N 2.83Å; A50-W103 HydrophobicContact CB-CE3 3.81Å; A50-W103 HydrophobicContact CB-CZ3 3.76Å |
| 51 | K | 69.2 | Low | 69.2 | Low | 133 Ų | 133 | 66.7 Ų | 66.7 | 58% | 0.578 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 107 | 172.1 | -59.9 | -173.6 | -175.7 | -175.8 | 0 | 109.2 | S63 | K51-S63 WeakPolarHBondContact CA-O 3.37Å; K51-S63 VanDerWaalsContact CE-OG 3.24Å; K51-S63 WeakPolarHBondContact CE-OG 3.48Å |
| 52 | R | 52 | Low | 67.5 | Low | 143 Ų | 143 | 64.1 Ų | 64.1 | 54% | 0.54 | 33% | 0.328 | S | S | . | . | trans | -79.8 | 155.7 | 161 | -85 | -170.5 | 174.1 | 158.2 | -0.6 | 109.7 | A50 | A50-R52 PolarHBondContact O-N 3.46Š| ||
| 53 | H | 49.7 | Very low | 65.7 | Low | 181 Ų | 181 | 64 Ų | 64 | 84% | 0.838 | 33% | 0.332 | S | S | * | . | trans | -16.7 | 129.7 | 175.3 | -102.9 | -97.4 | 0 | 0 | 0 | 114.5 | S55 | H53-S55 VanDerWaalsContact C-N 3.34Å; H53-S55 PolarHBondContact O-N 3.45Å | ||
| 54 | T | 42.8 | Very low | 64.3 | Low | 134 Ų | 134 | 64.3 Ų | 64.3 | 82% | 0.822 | 33% | 0.332 | S | S | * | . | trans | -63.3 | 88.7 | 175.4 | 48.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 55 | S | 43.9 | Very low | 63.4 | Low | 71 Ų | 71 | 67.1 Ų | 67.1 | 50% | 0.497 | 35% | 0.345 | S | S | . | . | trans | -90.9 | 160.9 | 163.9 | -175.4 | 0 | 0 | 0 | 0 | 109.8 | H53 S57 T58 | H53-S55 VanDerWaalsContact C-N 3.34Å; H53-S55 PolarHBondContact O-N 3.45Å; S55-S57 PolarHBondContact O-N 2.9Å; S55-T58 PolarHBondContact N-OG1 3.12Å; S55-T58 VanDerWaalsContact N-OG1 3.13Å; S55-T58 WeakPolarHBondContact O-CA 3.43Å; S55-T58 WeakPolarHBondContact O-CB 3.17Å; S55-T58 PolarHBondContact O-N 2.83Å; S55-T58 PolarHBondContact O-OG1 3.32Å | ||
| 56 | W | 47.4 | Very low | 62.9 | Low | 203 Ų | 203 | 68 Ų | 68 | 77% | 0.769 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -58.1 | -31.6 | 176 | 176.1 | -93.3 | 0 | 0 | 0 | 112.6 | T58 L59 | W56-T58 PolarHBondContact O-N 2.99Å; W56-L59 HydrophobicContact CD2-CD1 4.24Å; W56-L59 HydrophobicContact CE3-CD1 3.65Å; W56-L59 HydrophobicContact CZ3-CD1 3.92Å; W56-L59 WeakPolarHBondContact O-CB 3.42Å; W56-L59 PolarHBondContact O-N 3.29Å; W56-L59 VanDerWaalsContact O-N 3.15Å |
| 57 | S | 45.3 | Very low | 62.5 | Low | 60 Ų | 60 | 69.9 Ų | 69.9 | 42% | 0.42 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.1 | -30.6 | 173.8 | 57.1 | 0 | 0 | 0 | 0 | 112.5 | S55 L59 V60 T61 | S55-S57 PolarHBondContact O-N 2.9Å; S57-L59 VanDerWaalsContact C-N 3.31Å; S57-L59 PolarHBondContact O-N 3.31Å; S57-V60 PolarHBondContact O-N 2.94Å; S57-V60 VanDerWaalsContact O-N 3.15Å; S57-T61 PolarHBondContact O-N 3.13Å; S57-T61 PolarHBondContact O-OG1 2.75Å |
| 58 | T | 47.2 | Very low | 62.5 | Low | 13 Ų | 13 | 70 Ų | 70 | 8% | 0.08 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -67.6 | -24.8 | 179.2 | -40.9 | 0 | 0 | 0 | 0 | 113.1 | S55 W56 V60 G62 | S55-T58 PolarHBondContact N-OG1 3.12Å; S55-T58 VanDerWaalsContact N-OG1 3.13Å; S55-T58 WeakPolarHBondContact O-CA 3.43Å; S55-T58 WeakPolarHBondContact O-CB 3.17Å; S55-T58 PolarHBondContact O-N 2.83Å; S55-T58 PolarHBondContact O-OG1 3.32Å; W56-T58 PolarHBondContact O-N 2.99Å; T58-V60 VanDerWaalsContact C-N 3.33Å; T58-G62 CarbonylContact O-C 3.43Å; T58-G62 WeakPolarHBondContact O-CA 3.19Å; T58-G62 PolarHBondContact O-N 3.15Å; T58-G62 VanDerWaalsContact O-N 3.1Å |
| 59 | L | 47.2 | Very low | 62.5 | Low | 132 Ų | 132 | 70 Ų | 70 | 69% | 0.691 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -69.1 | -32.8 | 172.4 | -80.2 | 157.8 | 0 | 0 | 0 | 111.8 | W56 S57 | W56-L59 HydrophobicContact CD2-CD1 4.24Å; W56-L59 HydrophobicContact CE3-CD1 3.65Å; W56-L59 HydrophobicContact CZ3-CD1 3.92Å; W56-L59 WeakPolarHBondContact O-CB 3.42Å; W56-L59 PolarHBondContact O-N 3.29Å; W56-L59 VanDerWaalsContact O-N 3.15Å; S57-L59 VanDerWaalsContact C-N 3.31Å; S57-L59 PolarHBondContact O-N 3.31Å |
| 60 | V | 46.8 | Very low | 62.9 | Low | 110 Ų | 110 | 70 Ų | 70 | 67% | 0.667 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -92.4 | -48.9 | -174.2 | -174.9 | 0 | 0 | 0 | 0 | 111.1 | S57 T58 G62 | S57-V60 PolarHBondContact O-N 2.94Å; S57-V60 VanDerWaalsContact O-N 3.15Å; T58-V60 VanDerWaalsContact C-N 3.33Å; V60-G62 VanDerWaalsContact C-N 3.35Å |
| 61 | T | 49.3 | Very low | 63.6 | Low | 72 Ų | 72 | 69.8 Ų | 69.8 | 44% | 0.442 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -89.8 | -1.9 | -177.7 | 63.3 | 0 | 0 | 0 | 0 | 113.2 | S57 S113 R119 | S57-T61 PolarHBondContact O-N 3.13Å; S57-T61 PolarHBondContact O-OG1 2.75Å; T61-S113 PolarHBondContact O-OG 3.07Å; T61-R119 VanDerWaalsContact C-NH2 3.35Å; T61-R119 PolarHBondContact O-NH1 2.98Å; T61-R119 PolarHBondContact O-NH2 2.99Å |
| 62 | G | 51.9 | Low | 64.9 | Low | 10 Ų | 10 | 63.5 Ų | 63.5 | 10% | 0.103 | 33% | 0.328 | C | S | . | . | trans | 71 | 168.3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | T58 V60 R119 | T58-G62 CarbonylContact O-C 3.43Å; T58-G62 WeakPolarHBondContact O-CA 3.19Å; T58-G62 PolarHBondContact O-N 3.15Å; T58-G62 VanDerWaalsContact O-N 3.1Å; V60-G62 VanDerWaalsContact C-N 3.35Å; G62-R119 VanDerWaalsContact CA-CZ 3.47Å | ||
| 63 | S | 55.3 | Low | 67.1 | Low | 33 Ų | 33 | 56.9 Ų | 56.9 | 23% | 0.231 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -81.2 | -26.9 | -166.6 | 59.2 | 0 | 0 | 0 | 0 | 116.6 | K51 Q65 | K51-S63 WeakPolarHBondContact CA-O 3.37Å; K51-S63 VanDerWaalsContact CE-OG 3.24Å; K51-S63 WeakPolarHBondContact CE-OG 3.48Å; S63-Q65 PolarHBondContact O-N 2.83Å |
| 64 | E | 63.4 | Low | 69.3 | Low | 33 Ų | 33 | 52.7 Ų | 52.7 | 15% | 0.154 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 114.6 | -178.8 | -62.6 | 112.9 | -171.1 | 0 | 0 | 110.1 | Q49 F140 | Q49-E64 HydrophobicContact CB-CB 4.06Å; Q49-E64 PolarHBondContact OE1-O 3.46Å; E64-F140 HydrophobicContact CB-CE1 4.21Å; E64-F140 HydrophobicContact CB-CZ 4.16Å; E64-F140 HydrophobicContact CG-CZ 4.49Å; E64-F140 WeakPolarHBondContact OE2-CE2 2.97Å; E64-F140 WeakPolarHBondContact OE2-CZ 2.88Å |
| 65 | Q | 75.8 | Confident | 71.7 | Confident | 71 Ų | 71 | 48.2 Ų | 48.2 | 33% | 0.332 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 142.4 | 175.3 | -64.4 | -178.6 | 12.8 | 0 | 0 | 109.4 | Q49 A50 S63 Y67 | Q49-Q65 WeakPolarHBondContact CA-O 3.4Å; Q49-Q65 WeakPolarHBondContact CB-O 3.3Å; A50-Q65 PolarHBondContact N-O 2.75Å; A50-Q65 VanDerWaalsContact N-O 3.11Å; A50-Q65 PolarHBondContact O-N 2.83Å; S63-Q65 PolarHBondContact O-N 2.83Å; Q65-Y67 PolarHBondContact O-N 3.26Å |
| 66 | H | 83.2 | Confident | 74.1 | Confident | 21 Ų | 21 | 46.3 Ų | 46.3 | 10% | 0.097 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.9 | 129.1 | 170.4 | 176.9 | 72.2 | 0 | 0 | 0 | 110.6 | S47 C68 L112 P213 G260 | S47-H66 PolarHBondContact OG-ND1 3.08Å; H66-C68 VanDerWaalsContact CE1-C 3.41Å; H66-C68 PolarHBondContact CE1-O 3.42Å; H66-C68 VanDerWaalsContact CE1-O 3.22Å; H66-L112 HydrophobicContact CB-CD1 3.5Å; H66-L112 VanDerWaalsContact CB-CD1 3.5Å; H66-L112 HydrophobicContact CB-CD2 3.91Å; H66-L112 HydrophobicContact CB-CG 4.23Å; H66-P213 HydrophobicContact CB-CG 4.36Å; H66-G260 PolarHBondContact NE2-O 3.18Å |
| 67 | Y | 85.8 | Confident | 76.5 | Confident | 39 Ų | 39 | 36.8 Ų | 36.8 | 15% | 0.153 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | -53.1 | -178.1 | -166 | -83.4 | 0 | 0 | 0 | 110.8 | I48 Q65 C84 W103 | I48-Y67 PolarHBondContact O-N 3.3Å; Q65-Y67 PolarHBondContact O-N 3.26Å; Y67-C84 HydrophobicContact CE1-CB 4.36Å; Y67-C84 WeakPolarHBondContact CE1-O 3.37Å; Y67-W103 AromaticContact CD1-CH2 3.85Å; Y67-W103 HydrophobicContact CD1-CH2 3.85Å; Y67-W103 AromaticContact CD1-CZ3 3.84Å; Y67-W103 HydrophobicContact CD1-CZ3 3.84Å; Y67-W103 HydrophobicContact CD2-CZ3 4.43Å; Y67-W103 AromaticContact CE1-CH2 3.98Å; Y67-W103 HydrophobicContact CE1-CH2 3.98Å; Y67-W103 HydrophobicContact CE1-CZ3 4.43Å; Y67-W103 HydrophobicContact CG-CH2 4.17Å; Y67-W103 AromaticContact CG-CZ3 3.85Å; Y67-W103 HydrophobicContact CG-CZ3 3.85Å |
| 68 | C | 91.4 | Very high | 79 | Confident | 4 Ų | 4 | 34 Ų | 34 | 3% | 0.027 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 156 | 178.9 | -82.3 | 0 | 0 | 0 | 0 | 111.2 | I48 H66 C84 S262 | I48-C68 HydrophobicContact CB-CB 4.45Å; I48-C68 PolarHBondContact N-O 3.25Å; I48-C68 PolarHBondContact O-N 3.47Å; H66-C68 VanDerWaalsContact CE1-C 3.41Å; H66-C68 PolarHBondContact CE1-O 3.42Å; H66-C68 VanDerWaalsContact CE1-O 3.22Å; C68-C84 HydrophobicContact CB-CB 3.92Å; C68-C84 WeakPolarHBondContact CB-SG 2.85Å; C68-C84 WeakPolarHBondContact SG-CB 3.1Å; C68-C84 CovalentContact SG-SG 2.03Å; C68-C84 PolarHBondContact SG-SG 3.49Å; C68-S262 CarbonylContact C-O 3.44Å; C68-S262 WeakPolarHBondContact CA-O 3.28Å; C68-S262 WeakPolarHBondContact CB-O 2.94Å |
| 69 | G | 93.7 | Very high | 81.4 | Confident | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.01 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 163.8 | 161.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | A46 T80 G260 S262 G263 | A46-G69 CarbonylContact O-C 3.52Å; G69-T80 PolarHBondContact O-OG1 3.43Å; G69-G260 PolarHBondContact N-O 3.19Å; G69-S262 PolarHBondContact N-O 3.49Å; G69-G263 VanDerWaalsContact C-C 3.41Å; G69-G263 CarbonylContact C-O 3.44Å; G69-G263 CarbonylContact O-C 3.5Å; G69-G263 WeakPolarHBondContact O-CA 3.38Å |
| 70 | A | 96.7 | Very high | 83.8 | Confident | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.008 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.4 | 172 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | A46 I48 I78 I79 G263 | A46-A70 HydrophobicContact CB-CB 3.96Å; A46-A70 PolarHBondContact N-O 3.36Å; A46-A70 PolarHBondContact O-N 3.01Å; I48-A70 HydrophobicContact CD1-CB 3.83Å; I48-A70 HydrophobicContact CG1-CB 3.86Å; A70-I78 HydrophobicContact CB-CG2 3.46Å; A70-I78 VanDerWaalsContact CB-CG2 3.46Å; A70-I79 CarbonylContact C-O 3.53Å; A70-I79 VanDerWaalsContact CA-O 3.23Å; A70-I79 WeakPolarHBondContact CA-O 3.43Å; A70-I79 VanDerWaalsContact CB-O 3.27Å; A70-I79 WeakPolarHBondContact CB-O 3.4Å; A70-G263 WeakPolarHBondContact CA-O 3.48Å |
| 71 | A | 97.7 | Very high | 86.2 | Confident | 1 Ų | 1 | 21.9 Ų | 21.9 | 1% | 0.008 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 148.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | W44 I78 I79 I181 P265 | W44-A71 HydrophobicContact CE3-CB 4.23Å; W44-A71 CarbonylContact O-C 3.08Å; W44-A71 WeakPolarHBondContact O-CA 3.3Å; A71-I78 CarbonylContact O-C 3.21Å; A71-I78 VanDerWaalsContact O-CA 3.3Å; A71-I78 WeakPolarHBondContact O-CA 3.45Å; A71-I79 HydrophobicContact CB-CG2 3.85Å; A71-I79 PolarHBondContact N-O 2.82Å; A71-I79 PolarHBondContact O-N 3.03Å; A71-I181 HydrophobicContact CB-CG2 3.93Å; A71-P265 HydrophobicContact CB-CB 3.97Å; A71-P265 HydrophobicContact CB-CG 4Å |
| 72 | L | 97.3 | Very high | 88.5 | Confident | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 112.7 | 174.9 | -172.2 | 70.8 | 0 | 0 | 0 | 110.5 | W44 K74 I78 M107 L172 L178 L180 I181 | W44-L72 PolarHBondContact O-N 3.22Å; L72-K74 WeakPolarHBondContact CD1-O 3.19Å; L72-I78 HydrophobicContact CB-CD1 4.07Å; L72-I78 HydrophobicContact CD1-CD1 3.48Å; L72-I78 VanDerWaalsContact CD1-CD1 3.48Å; L72-I78 HydrophobicContact CD1-CG1 4.31Å; L72-I78 HydrophobicContact CG-CD1 4.39Å; L72-M107 HydrophobicContact CB-SD 4.17Å; L72-M107 HydrophobicContact CD1-CE 4.41Å; L72-M107 HydrophobicContact CD1-SD 3.84Å; L72-M107 HydrophobicContact CD2-SD 4.01Å; L72-M107 HydrophobicContact CG-SD 4.24Å; L72-L172 HydrophobicContact CD2-CD2 3.92Å; L72-L178 HydrophobicContact CD2-CD1 3.72Å; L72-L178 HydrophobicContact CD2-CD2 4.34Å; L72-L178 HydrophobicContact CD2-CG 4.03Å; L72-L180 HydrophobicContact CB-CD2 4.5Å; L72-L180 HydrophobicContact CD2-CD2 3.64Å; L72-L180 HydrophobicContact CG-CD2 3.58Å; L72-L180 WeakPolarHBondContact O-CA 3.44Å; L72-I181 PolarHBondContact O-N 2.94Å |
| 73 | I | 97.4 | Very high | 90.4 | Very high | 5 Ų | 5 | 19 Ų | 19 | 3% | 0.026 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | -22.9 | -176 | 56.9 | 164.1 | 0 | 0 | 0 | 113.3 | W77 I79 L163 I181 L183 L276 I305 I309 | I73-W77 HydrophobicContact CD1-CB 4.4Å; I73-W77 HydrophobicContact CG1-CB 3.97Å; I73-W77 WeakPolarHBondContact CG1-O 3.29Å; I73-W77 PolarHBondContact N-O 2.81Å; I73-I79 HydrophobicContact CD1-CB 4.2Å; I73-I79 HydrophobicContact CG1-CB 4.49Å; I73-I79 HydrophobicContact CG2-CB 4.15Å; I73-I79 HydrophobicContact CG2-CG2 3.54Å; I73-L163 HydrophobicContact CD1-CD2 3.76Å; I73-I181 HydrophobicContact CG2-CG2 3.74Å; I73-L183 HydrophobicContact CB-CD2 4.45Å; I73-L183 HydrophobicContact CG2-CD2 3.97Å; I73-L276 HydrophobicContact CG2-CD2 4.22Å; I73-I305 HydrophobicContact CD1-CG2 3.72Å; I73-I309 HydrophobicContact CD1-CD1 3.89Å |
| 74 | K | 95.8 | Very high | 92.2 | Very high | 92 Ų | 92 | 17.6 Ų | 17.6 | 40% | 0.4 | 9% | 0.085 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 163.6 | 168 | -61.7 | -68.4 | 179.3 | -172.6 | 0 | 107.9 | L72 D76 W77 I309 | L72-K74 WeakPolarHBondContact CD1-O 3.19Å; K74-D76 PolarHBondContact O-N 3.46Å; K74-W77 HydrophobicContact CB-CB 3.9Å; K74-W77 HydrophobicContact CB-CG 4.2Å; K74-W77 HydrophobicContact CG-CB 4.46Å; K74-W77 PolarHBondContact N-O 3.23Å; K74-W77 PolarHBondContact O-N 3.16Å; K74-I309 HydrophobicContact CG-CD1 4.14Å |
| 75 | P | 92.7 | Very high | 93.6 | Very high | 41 Ų | 41 | 16 Ų | 16 | 27% | 0.266 | 8% | 0.078 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -47.2 | -43.8 | -175.8 | -31.1 | 37.1 | 0 | 0 | 0 | 113.5 | T169 P170 L172 | P75-T169 HydrophobicContact CB-CG2 3.72Å; P75-P170 WeakPolarHBondContact O-CD 3.42Å; P75-P170 WeakPolarHBondContact O-CG 3.35Å; P75-L172 HydrophobicContact CG-CD1 4.15Å |
| 76 | D | 94.5 | Very high | 94.3 | Very high | 31 Ų | 31 | 13.8 Ų | 13.8 | 17% | 0.166 | 7% | 0.066 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.2 | 16.2 | 180 | 58 | -19.3 | 0 | 0 | 0 | 114.4 | K74 K165 L166 T169 | K74-D76 PolarHBondContact O-N 3.46Å; D76-K165 WeakPolarHBondContact O-CA 3.35Å; D76-L166 HydrophobicContact CB-CB 4.25Å; D76-L166 PolarHBondContact O-N 2.89Å; D76-T169 HydrophobicContact CB-CG2 4.19Å |
| 77 | W | 97.6 | Very high | 94.3 | Very high | 3 Ų | 3 | 14.9 Ų | 14.9 | 1% | 0.011 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 124.6 | -179.8 | -66.7 | 83.2 | 0 | 0 | 0 | 112.8 | I73 K74 F147 L163 K165 V308 I309 N312 | I73-W77 HydrophobicContact CD1-CB 4.4Å; I73-W77 HydrophobicContact CG1-CB 3.97Å; I73-W77 WeakPolarHBondContact CG1-O 3.29Å; I73-W77 PolarHBondContact N-O 2.81Å; K74-W77 HydrophobicContact CB-CB 3.9Å; K74-W77 HydrophobicContact CB-CG 4.2Å; K74-W77 HydrophobicContact CG-CB 4.46Å; K74-W77 PolarHBondContact N-O 3.23Å; K74-W77 PolarHBondContact O-N 3.16Å; W77-F147 HydrophobicContact CH2-CD2 4.07Å; W77-F147 AromaticContact CH2-CE2 3.66Å; W77-F147 HydrophobicContact CH2-CE2 3.66Å; W77-F147 HydrophobicContact CH2-CZ 4.36Å; W77-F147 AromaticContact CZ3-CD2 3.77Å; W77-F147 HydrophobicContact CZ3-CD2 3.77Å; W77-F147 AromaticContact CZ3-CE2 3.81Å; W77-F147 HydrophobicContact CZ3-CE2 3.81Å; W77-L163 HydrophobicContact CE3-CB 4.06Å; W77-L163 HydrophobicContact CE3-CD1 4.4Å; W77-L163 HydrophobicContact CZ3-CB 4.05Å; W77-L163 HydrophobicContact CZ3-CD1 4.37Å; W77-K165 HydrophobicContact CD2-CB 4.5Å; W77-K165 HydrophobicContact CD2-CG 4.5Å; W77-K165 HydrophobicContact CE3-CB 4.27Å; W77-K165 HydrophobicContact CH2-CB 3.97Å; W77-K165 HydrophobicContact CH2-CD 4.13Å; W77-K165 HydrophobicContact CH2-CG 4.19Å; W77-K165 HydrophobicContact CZ2-CB 4.19Å; W77-K165 HydrophobicContact CZ2-CD 3.81Å; W77-K165 HydrophobicContact CZ2-CG 3.91Å; W77-K165 HydrophobicContact CZ3-CB 4.01Å; W77-V308 HydrophobicContact CH2-CG1 4.09Å; W77-V308 HydrophobicContact CZ3-CG1 3.95Å; W77-I309 HydrophobicContact CB-CD1 4.49Å; W77-I309 HydrophobicContact CD2-CD1 4.44Å; W77-I309 HydrophobicContact CD2-CG1 3.7Å; W77-I309 HydrophobicContact CE3-CG1 3.93Å; W77-I309 HydrophobicContact CG-CD1 4.3Å; W77-I309 HydrophobicContact CG-CG1 4.02Å; W77-I309 HydrophobicContact CZ2-CG1 4.38Å; W77-I309 HydrophobicContact CZ3-CG1 4.34Å; W77-N312 HydrophobicContact CH2-CB 3.78Å; W77-N312 HydrophobicContact CZ2-CB 4.02Å |
| 78 | I | 98.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 136.7 | 178.2 | -61.8 | -71.9 | 0 | 0 | 0 | 108.5 | A46 A70 A71 L72 V105 M107 L163 F164 L166 | A46-I78 HydrophobicContact CB-CD1 4.06Å; A70-I78 HydrophobicContact CB-CG2 3.46Å; A70-I78 VanDerWaalsContact CB-CG2 3.46Å; A71-I78 CarbonylContact O-C 3.21Å; A71-I78 VanDerWaalsContact O-CA 3.3Å; A71-I78 WeakPolarHBondContact O-CA 3.45Å; L72-I78 HydrophobicContact CB-CD1 4.07Å; L72-I78 HydrophobicContact CD1-CD1 3.48Å; L72-I78 VanDerWaalsContact CD1-CD1 3.48Å; L72-I78 HydrophobicContact CD1-CG1 4.31Å; L72-I78 HydrophobicContact CG-CD1 4.39Å; I78-V105 HydrophobicContact CD1-CG1 3.83Å; I78-V105 HydrophobicContact CG1-CG1 4.02Å; I78-V105 HydrophobicContact CG1-CG2 4.35Å; I78-M107 HydrophobicContact CD1-SD 3.65Å; I78-L163 CarbonylContact O-C 3.57Å; I78-L163 VanDerWaalsContact O-CA 3.28Å; I78-L163 WeakPolarHBondContact O-CA 3.28Å; I78-F164 HydrophobicContact CB-CB 4.06Å; I78-F164 PolarHBondContact N-O 2.89Å; I78-F164 PolarHBondContact O-N 3.37Å; I78-L166 HydrophobicContact CD1-CD1 4.47Å; I78-L166 HydrophobicContact CG1-CD1 4.09Å; I78-L166 HydrophobicContact CG1-CD2 3.95Å; I78-L166 HydrophobicContact CG1-CG 4.06Å |
| 79 | I | 98.6 | Very high | 93 | Very high | 2 Ų | 2 | 17.4 Ų | 17.4 | 1% | 0.01 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 140.9 | 173.2 | -168.3 | 165.2 | 0 | 0 | 0 | 110.5 | A70 A71 I73 I161 A162 L163 L276 I279 I305 | A70-I79 CarbonylContact C-O 3.53Å; A70-I79 VanDerWaalsContact CA-O 3.23Å; A70-I79 WeakPolarHBondContact CA-O 3.43Å; A70-I79 VanDerWaalsContact CB-O 3.27Å; A70-I79 WeakPolarHBondContact CB-O 3.4Å; A71-I79 HydrophobicContact CB-CG2 3.85Å; A71-I79 PolarHBondContact N-O 2.82Å; A71-I79 PolarHBondContact O-N 3.03Å; I73-I79 HydrophobicContact CD1-CB 4.2Å; I73-I79 HydrophobicContact CG1-CB 4.49Å; I73-I79 HydrophobicContact CG2-CB 4.15Å; I73-I79 HydrophobicContact CG2-CG2 3.54Å; I79-I161 HydrophobicContact CD1-CD1 3.86Å; I79-I161 HydrophobicContact CD1-CG1 4.34Å; I79-I161 HydrophobicContact CG1-CD1 4.36Å; I79-I161 HydrophobicContact CG1-CG1 4.29Å; I79-A162 WeakPolarHBondContact CA-O 3.49Å; I79-L163 HydrophobicContact CB-CD2 3.84Å; I79-L163 HydrophobicContact CD1-CD2 4.18Å; I79-L163 HydrophobicContact CG1-CD2 3.84Å; I79-L276 HydrophobicContact CD1-CD2 3.98Å; I79-L276 HydrophobicContact CG2-CD2 3.61Å; I79-I279 HydrophobicContact CD1-CD1 3.85Å; I79-I279 HydrophobicContact CG1-CD1 3.74Å; I79-I305 HydrophobicContact CD1-CD1 3.69Å; I79-I305 HydrophobicContact CD1-CG1 4.34Å |
| 80 | T | 97.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | -175.1 | -179.5 | -166.4 | 0 | 0 | 0 | 0 | 110.4 | I48 G69 A162 F164 G263 | I48-T80 VanDerWaalsContact CD1-CB 3.49Å; I48-T80 HydrophobicContact CD1-CG2 3.51Å; I48-T80 WeakPolarHBondContact CD1-OG1 3.39Å; G69-T80 PolarHBondContact O-OG1 3.43Å; T80-A162 HydrophobicContact CG2-CB 4.07Å; T80-A162 PolarHBondContact N-O 3.49Å; T80-A162 PolarHBondContact O-N 2.97Å; T80-A162 VanDerWaalsContact O-O 3.14Å; T80-F164 HydrophobicContact CG2-CD1 4.33Å; T80-F164 HydrophobicContact CG2-CE1 4.11Å; T80-G263 WeakPolarHBondContact OG1-CA 3.13Å |
| 81 | A | 96.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | trans | -87 | 144.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | H83 C84 G263 I279 | A81-H83 WeakPolarHBondContact CB-ND1 3.33Å; A81-C84 WeakPolarHBondContact O-CB 3.39Å; A81-C84 PolarHBondContact O-N 3.13Å; A81-G263 VanDerWaalsContact N-CA 3.31Å; A81-I279 HydrophobicContact CB-CG2 3.96Å | ||
| 82 | A | 96.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -69.1 | -35.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | C84 L85 Y86 H148 Y152 D160 A162 | A82-C84 PolarHBondContact O-N 2.85Å; A82-L85 VanDerWaalsContact O-CB 3.31Å; A82-L85 WeakPolarHBondContact O-CB 3.16Å; A82-L85 WeakPolarHBondContact O-CG 3.39Å; A82-L85 PolarHBondContact O-N 2.87Å; A82-Y86 VanDerWaalsContact O-CD2 3.25Å; A82-Y86 WeakPolarHBondContact O-CD2 3.41Å; A82-H148 HydrophobicContact CB-CB 4.08Å; A82-Y152 HydrophobicContact CB-CD1 3.56Å; A82-Y152 HydrophobicContact CB-CD2 3.75Å; A82-Y152 HydrophobicContact CB-CE1 3.79Å; A82-Y152 HydrophobicContact CB-CE2 3.97Å; A82-Y152 HydrophobicContact CB-CG 3.54Å; A82-D160 WeakPolarHBondContact CA-OD1 3.18Å; A82-D160 PolarHBondContact N-OD1 3.25Å; A82-A162 HydrophobicContact CB-CB 4.4Å |
| 83 | H | 93.4 | Very high | 89.4 | Confident | 22 Ų | 22 | 45.9 Ų | 45.9 | 10% | 0.102 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -60.5 | -21.3 | 179.4 | 81.1 | -104.3 | 0 | 0 | 0 | 113.1 | A81 L85 Y86 Y152 D160 S262 S281 | A81-H83 WeakPolarHBondContact CB-ND1 3.33Å; H83-L85 PolarHBondContact O-N 3.06Å; H83-Y86 PolarHBondContact O-N 2.9Å; H83-Y86 VanDerWaalsContact O-O 3.11Å; H83-Y152 VanDerWaalsContact CA-OH 3.26Å; H83-Y152 WeakPolarHBondContact CA-OH 3.29Å; H83-Y152 WeakPolarHBondContact CB-OH 3.2Å; H83-D160 IonicContact CE1-OD2 2.74Å; H83-D160 IonicContact CG-OD1 2.72Å; H83-D160 IonicContact CG-OD2 3.13Å; H83-D160 PolarHBondContact N-OD1 2.92Å; H83-D160 IonicContact ND1-OD1 2.98Å; H83-D160 PolarHBondContact ND1-OD1 3.37Å; H83-D160 IonicContact ND1-OD2 2.69Å; H83-D160 PolarHBondContact ND1-OD2 2.68Å; H83-S262 PolarHBondContact CE1-OG 2.95Å; H83-S262 WeakPolarHBondContact NE2-CB 3.43Å; H83-S262 PolarHBondContact NE2-OG 3.31Å; H83-S281 PolarHBondContact CE1-O 3.28Å |
| 84 | C | 92.5 | Very high | 88.8 | Confident | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.014 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -62.6 | -17.6 | 172.6 | -68.5 | 0 | 0 | 0 | 0 | 112.7 | Y67 C68 A81 A82 W103 | Y67-C84 HydrophobicContact CE1-CB 4.36Å; Y67-C84 WeakPolarHBondContact CE1-O 3.37Å; C68-C84 HydrophobicContact CB-CB 3.92Å; C68-C84 WeakPolarHBondContact CB-SG 2.85Å; C68-C84 WeakPolarHBondContact SG-CB 3.1Å; C68-C84 CovalentContact SG-SG 2.03Å; C68-C84 PolarHBondContact SG-SG 3.49Å; A81-C84 WeakPolarHBondContact O-CB 3.39Å; A81-C84 PolarHBondContact O-N 3.13Å; A82-C84 PolarHBondContact O-N 2.85Å; C84-W103 WeakPolarHBondContact O-CH2 3.46Å |
| 85 | L | 92.7 | Very high | 88.3 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -97.2 | 2.3 | -177.6 | -48.1 | 176.6 | 0 | 0 | 0 | 112.9 | A82 H83 Y97 L98 W103 I146 H148 A162 F164 | A82-L85 VanDerWaalsContact O-CB 3.31Å; A82-L85 WeakPolarHBondContact O-CB 3.16Å; A82-L85 WeakPolarHBondContact O-CG 3.39Å; A82-L85 PolarHBondContact O-N 2.87Å; H83-L85 PolarHBondContact O-N 3.06Å; L85-Y97 PolarHBondContact O-N 2.84Å; L85-L98 HydrophobicContact CB-CD2 3.96Å; L85-L98 HydrophobicContact CD1-CD2 3.92Å; L85-W103 HydrophobicContact CD2-CH2 4.5Å; L85-W103 HydrophobicContact CD2-CZ2 3.81Å; L85-I146 HydrophobicContact CD1-CG2 3.55Å; L85-I146 HydrophobicContact CD2-CG2 4.49Å; L85-H148 HydrophobicContact CD1-CB 4.27Å; L85-A162 HydrophobicContact CD1-CB 3.92Å; L85-F164 HydrophobicContact CD1-CE1 4.3Å; L85-F164 HydrophobicContact CD2-CE1 3.61Å; L85-F164 HydrophobicContact CD2-CZ 3.52Å |
| 86 | Y | 90.2 | Very high | 88.1 | Confident | 24 Ų | 24 | 49.9 Ų | 49.9 | 9% | 0.094 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 148.2 | -176.3 | -58 | -91.4 | 0 | 0 | 0 | 111.3 | R27 A82 H83 I94 I95 H148 Y152 P154 | R27-Y86 PolarHBondContact NH1-O 2.81Å; A82-Y86 VanDerWaalsContact O-CD2 3.25Å; A82-Y86 WeakPolarHBondContact O-CD2 3.41Å; H83-Y86 PolarHBondContact O-N 2.9Å; H83-Y86 VanDerWaalsContact O-O 3.11Å; Y86-I94 HydrophobicContact CD1-CG2 3.93Å; Y86-I95 CarbonylContact C-O 3.54Å; Y86-I95 VanDerWaalsContact CA-O 3.28Å; Y86-I95 WeakPolarHBondContact CA-O 3.34Å; Y86-H148 PolarHBondContact OH-CD2 3.09Å; Y86-H148 PolarHBondContact OH-CE1 2.89Å; Y86-H148 VanDerWaalsContact OH-CE1 3.29Å; Y86-H148 PolarHBondContact OH-NE2 2.91Å; Y86-Y152 HydrophobicContact CD2-CD1 4.25Å; Y86-Y152 AromaticContact CD2-CE1 3.58Å; Y86-Y152 HydrophobicContact CD2-CE1 3.58Å; Y86-Y152 AromaticContact CE2-CD1 3.76Å; Y86-Y152 HydrophobicContact CE2-CD1 3.76Å; Y86-Y152 AromaticContact CE2-CE1 3.58Å; Y86-Y152 HydrophobicContact CE2-CE1 3.58Å; Y86-Y152 HydrophobicContact CG-CE1 4.47Å; Y86-P154 HydrophobicContact CD1-CB 4.13Å; Y86-P154 HydrophobicContact CD1-CG 3.53Å; Y86-P154 HydrophobicContact CD2-CG 4.34Å; Y86-P154 HydrophobicContact CE1-CG 3.71Å; Y86-P154 HydrophobicContact CG-CB 4.1Å; Y86-P154 HydrophobicContact CG-CG 3.86Å |
| 87 | D | 82.9 | Confident | 87.8 | Confident | 44 Ų | 44 | 51.7 Ų | 51.7 | 24% | 0.235 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 154.5 | 174.7 | -151.1 | -6.2 | 0 | 0 | 0 | 111 | R27 I95 Y97 | R27-D87 IonicContact CZ-OD1 2.75Å; R27-D87 IonicContact NH1-OD1 2.99Å; R27-D87 IonicContact NH2-OD1 3.7Å; R27-D87 PolarHBondContact NH2-OD1 3.31Å; D87-I95 HydrophobicContact CB-CB 4.41Å; D87-I95 PolarHBondContact N-O 2.91Å; D87-I95 PolarHBondContact O-N 3.22Å; D87-Y97 HydrophobicContact CB-CD2 4.46Å; D87-Y97 HydrophobicContact CB-CE2 3.63Å |
| 88 | S | 76.3 | Confident | 87.5 | Confident | 72 Ų | 72 | 54.4 Ų | 54.4 | 50% | 0.503 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 114.7 | 175.3 | 51.1 | 0 | 0 | 0 | 0 | 108.2 | ||
| 89 | G | 73.4 | Confident | 87.2 | Confident | 25 Ų | 25 | 59.6 Ų | 59.6 | 26% | 0.258 | 31% | 0.307 | S | S | . | . | trans | -78.5 | -165 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113 | E93 | G89-E93 PolarHBondContact N-O 3.45Š| ||
| 90 | E | 76.5 | Confident | 86.9 | Confident | 171 Ų | 171 | 61 Ų | 61 | 80% | 0.799 | 32% | 0.316 | S | S | * | . | G | 310 helix | trans | -70.4 | 151.7 | 170.9 | -66.5 | 179.9 | -178.9 | 0 | 0 | 110 | D92 E93 | E90-D92 VanDerWaalsContact C-N 3.29Å; E90-D92 PolarHBondContact O-N 2.85Å; E90-E93 WeakPolarHBondContact O-CB 3.16Å; E90-E93 PolarHBondContact O-N 3.32Å; E90-E93 VanDerWaalsContact O-N 3.08Å |
| 91 | E | 79.4 | Confident | 86.5 | Confident | 198 Ų | 198 | 69.5 Ų | 69.5 | 93% | 0.925 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | 54.4 | 35.2 | 176.1 | -57.4 | -175.4 | 172.7 | 0 | 0 | 115.7 | E93 | E91-E93 PolarHBondContact O-N 3.44Š|
| 92 | D | 72 | Confident | 86.1 | Confident | 104 Ų | 104 | 72.2 Ų | 72.2 | 56% | 0.556 | 37% | 0.367 | S | S | * | . | G | 310 helix | trans | 65.4 | 15.6 | -178.6 | -59.9 | -28.2 | 0 | 0 | 0 | 115 | R24 E90 | R24-D92 IonicContact CZ-OD1 2.75Å; R24-D92 IonicContact NH1-OD1 2.65Å; R24-D92 PolarHBondContact NH1-OD1 2.89Å; R24-D92 IonicContact NH2-OD1 3.62Å; R24-D92 PolarHBondContact NH2-OD1 2.8Å; R24-D92 IonicContact NH2-OD2 3.6Å; R24-D92 PolarHBondContact NH2-OD2 3.5Å; E90-D92 VanDerWaalsContact C-N 3.29Å; E90-D92 PolarHBondContact O-N 2.85Å |
| 93 | E | 82.3 | Confident | 85.8 | Confident | 127 Ų | 127 | 72.3 Ų | 72.3 | 59% | 0.593 | 37% | 0.367 | S | S | * | . | trans | -61.9 | 138.5 | 171.1 | -172 | -179.6 | -175.7 | 0 | 0 | 110.9 | G89 E90 E91 | G89-E93 PolarHBondContact N-O 3.45Å; E90-E93 WeakPolarHBondContact O-CB 3.16Å; E90-E93 PolarHBondContact O-N 3.32Å; E90-E93 VanDerWaalsContact O-N 3.08Å; E91-E93 PolarHBondContact O-N 3.44Å | ||
| 94 | I | 83.9 | Confident | 85.7 | Confident | 96 Ų | 96 | 72 Ų | 72 | 49% | 0.492 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 114.9 | 173.2 | -64.1 | 160.6 | 0 | 0 | 0 | 109 | Y86 P154 | Y86-I94 HydrophobicContact CD1-CG2 3.93Å; I94-P154 HydrophobicContact CD1-CB 3.94Å; I94-P154 HydrophobicContact CD1-CG 4.36Å; I94-P154 HydrophobicContact CG1-CB 4.3Å; I94-P154 HydrophobicContact CG2-CB 3.71Å; I94-P154 HydrophobicContact CG2-CG 3.88Å |
| 95 | I | 85.6 | Confident | 85.8 | Confident | 60 Ų | 60 | 72 Ų | 72 | 31% | 0.308 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 129.5 | 174.1 | -57.4 | 173.8 | 0 | 0 | 0 | 108.4 | Y86 D87 Y97 | Y86-I95 CarbonylContact C-O 3.54Å; Y86-I95 VanDerWaalsContact CA-O 3.28Å; Y86-I95 WeakPolarHBondContact CA-O 3.34Å; D87-I95 HydrophobicContact CB-CB 4.41Å; D87-I95 PolarHBondContact N-O 2.91Å; D87-I95 PolarHBondContact O-N 3.22Å; I95-Y97 HydrophobicContact CG2-CD1 4.34Å; I95-Y97 HydrophobicContact CG2-CE1 3.69Å; I95-Y97 HydrophobicContact CG2-CE2 4.45Å |
| 96 | S | 88.4 | Confident | 85.6 | Confident | 67 Ų | 67 | 72.2 Ų | 72.2 | 47% | 0.469 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 136.5 | 177.7 | 66.6 | 0 | 0 | 0 | 0 | 112.2 | ||
| 97 | Y | 88.4 | Confident | 85.6 | Confident | 69 Ų | 69 | 71.6 Ų | 71.6 | 27% | 0.271 | 36% | 0.364 | S | S | . | . | trans | -114.8 | 52.9 | -177.4 | -65.9 | -47.9 | 0 | 0 | 0 | 110.7 | L85 D87 I95 M102 W103 | L85-Y97 PolarHBondContact O-N 2.84Å; D87-Y97 HydrophobicContact CB-CD2 4.46Å; D87-Y97 HydrophobicContact CB-CE2 3.63Å; I95-Y97 HydrophobicContact CG2-CD1 4.34Å; I95-Y97 HydrophobicContact CG2-CE1 3.69Å; I95-Y97 HydrophobicContact CG2-CE2 4.45Å; Y97-M102 HydrophobicContact CD1-CE 3.62Å; Y97-M102 HydrophobicContact CD1-SD 4.32Å; Y97-M102 HydrophobicContact CG-CE 3.69Å; Y97-M102 HydrophobicContact CG-SD 4.39Å; Y97-W103 WeakPolarHBondContact O-CZ2 3.3Å; Y97-W103 PolarHBondContact O-NE1 2.86Å | ||
| 98 | L | 90.9 | Very high | 85.5 | Confident | 59 Ų | 59 | 69.8 Ų | 69.8 | 31% | 0.309 | 36% | 0.355 | S | S | . | . | trans | -88.8 | -3.2 | -171.5 | -63.7 | 173.6 | 0 | 0 | 0 | 114.2 | L85 P100 | L85-L98 HydrophobicContact CB-CD2 3.96Å; L85-L98 HydrophobicContact CD1-CD2 3.92Å; L98-P100 VanDerWaalsContact O-CD 3.27Å; L98-P100 WeakPolarHBondContact O-CD 3.29Å | ||
| 99 | H | 92.6 | Very high | 85.4 | Confident | 110 Ų | 110 | 67.7 Ų | 67.7 | 51% | 0.509 | 34% | 0.339 | S | S | . | . | trans | -80 | 113.5 | -172.8 | -170.1 | -70.8 | 0 | 0 | 0 | 112.1 | K101 M102 | H99-K101 VanDerWaalsContact C-N 3.29Å; H99-K101 PolarHBondContact ND1-N 2.88Å; H99-K101 PolarHBondContact O-N 3.35Å; H99-M102 WeakPolarHBondContact O-CG 3.19Å; H99-M102 PolarHBondContact O-N 2.76Å | ||
| 100 | P | 93.2 | Very high | 85.1 | Confident | 32 Ų | 32 | 68.8 Ų | 68.8 | 21% | 0.208 | 34% | 0.338 | C | S | . | . | G | 310 helix | trans | -55.1 | -35.3 | -170.2 | -29.2 | 36.8 | 0 | 0 | 0 | 115.6 | L98 M102 W103 V143 E144 I146 | L98-P100 VanDerWaalsContact O-CD 3.27Å; L98-P100 WeakPolarHBondContact O-CD 3.29Å; P100-M102 PolarHBondContact O-N 2.84Å; P100-M102 VanDerWaalsContact O-N 3.07Å; P100-W103 PolarHBondContact O-N 2.84Å; P100-W103 VanDerWaalsContact O-N 3.09Å; P100-V143 HydrophobicContact CB-CB 4.19Å; P100-V143 HydrophobicContact CB-CG1 4.08Å; P100-V143 WeakPolarHBondContact CB-O 3.5Å; P100-E144 WeakPolarHBondContact CG-O 3.42Å; P100-I146 HydrophobicContact CG-CG1 4.42Å |
| 101 | K | 89.1 | Confident | 84.8 | Confident | 177 Ų | 177 | 66.1 Ų | 66.1 | 77% | 0.77 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -63.3 | -14.3 | -179 | -63 | -176.4 | -167.9 | 167.2 | 0 | 115.1 | H99 W103 | H99-K101 VanDerWaalsContact C-N 3.29Å; H99-K101 PolarHBondContact ND1-N 2.88Å; H99-K101 PolarHBondContact O-N 3.35Å; K101-W103 VanDerWaalsContact C-N 3.32Å |
| 102 | M | 86.9 | Confident | 84.2 | Confident | 58 Ų | 58 | 57.3 Ų | 57.3 | 29% | 0.286 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -82.5 | -16.5 | 177.7 | 77.2 | -170 | -81.3 | 0 | 0 | 112.9 | Y97 H99 P100 | Y97-M102 HydrophobicContact CD1-CE 3.62Å; Y97-M102 HydrophobicContact CD1-SD 4.32Å; Y97-M102 HydrophobicContact CG-CE 3.69Å; Y97-M102 HydrophobicContact CG-SD 4.39Å; H99-M102 WeakPolarHBondContact O-CG 3.19Å; H99-M102 PolarHBondContact O-N 2.76Å; P100-M102 PolarHBondContact O-N 2.84Å; P100-M102 VanDerWaalsContact O-N 3.07Å |
| 103 | W | 91.9 | Very high | 84 | Confident | 1 Ų | 1 | 54.4 Ų | 54.4 | 0% | 0.004 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 139.2 | -170 | -61.3 | 106.8 | 0 | 0 | 0 | 111.8 | I48 A50 Y67 C84 L85 Y97 P100 K101 V143 I146 F164 | I48-W103 HydrophobicContact CG2-CD2 4.18Å; I48-W103 HydrophobicContact CG2-CE3 3.25Å; I48-W103 HydrophobicContact CG2-CZ3 3.58Å; A50-W103 HydrophobicContact CB-CE3 3.81Å; A50-W103 HydrophobicContact CB-CZ3 3.76Å; Y67-W103 AromaticContact CD1-CH2 3.85Å; Y67-W103 HydrophobicContact CD1-CH2 3.85Å; Y67-W103 AromaticContact CD1-CZ3 3.84Å; Y67-W103 HydrophobicContact CD1-CZ3 3.84Å; Y67-W103 HydrophobicContact CD2-CZ3 4.43Å; Y67-W103 AromaticContact CE1-CH2 3.98Å; Y67-W103 HydrophobicContact CE1-CH2 3.98Å; Y67-W103 HydrophobicContact CE1-CZ3 4.43Å; Y67-W103 HydrophobicContact CG-CH2 4.17Å; Y67-W103 AromaticContact CG-CZ3 3.85Å; Y67-W103 HydrophobicContact CG-CZ3 3.85Å; C84-W103 WeakPolarHBondContact O-CH2 3.46Å; L85-W103 HydrophobicContact CD2-CH2 4.5Å; L85-W103 HydrophobicContact CD2-CZ2 3.81Å; Y97-W103 WeakPolarHBondContact O-CZ2 3.3Å; Y97-W103 PolarHBondContact O-NE1 2.86Å; P100-W103 PolarHBondContact O-N 2.84Å; P100-W103 VanDerWaalsContact O-N 3.09Å; K101-W103 VanDerWaalsContact C-N 3.32Å; W103-V143 HydrophobicContact CB-CB 4.37Å; W103-V143 HydrophobicContact CB-CG2 3.7Å; W103-I146 HydrophobicContact CG-CD1 4.26Å; W103-F164 HydrophobicContact CB-CE2 3.86Å; W103-F164 HydrophobicContact CD2-CE2 4.15Å; W103-F164 HydrophobicContact CD2-CZ 4.17Å; W103-F164 AromaticContact CG-CE2 3.86Å; W103-F164 HydrophobicContact CG-CE2 3.86Å; W103-F164 HydrophobicContact CG-CZ 4.12Å |
| 104 | H | 91.5 | Very high | 83.2 | Confident | 17 Ų | 17 | 48.5 Ų | 48.5 | 8% | 0.079 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 143 | 174.9 | -60 | -80.1 | 0 | 0 | 0 | 109.3 | Q49 F140 Y141 H142 | Q49-H104 PolarHBondContact N-O 3.06Å; Q49-H104 PolarHBondContact O-N 2.78Å; H104-F140 HydrophobicContact CB-CB 4.32Å; H104-F140 HydrophobicContact CB-CD1 4.23Å; H104-Y141 CarbonylContact C-O 2.93Å; H104-Y141 WeakPolarHBondContact CA-O 3.08Å; H104-H142 AromaticContact CE1-CD2 3.49Å; H104-H142 PolarHBondContact CE1-CD2 2.72Å; H104-H142 VanDerWaalsContact CE1-CD2 3.49Å; H104-H142 AromaticContact CE1-NE2 3.76Å; H104-H142 AromaticContact ND1-CD2 3.43Å; H104-H142 PolarHBondContact ND1-CD2 3.16Å; H104-H142 AromaticContact ND1-NE2 3.76Å |
| 105 | V | 92.9 | Very high | 82.6 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 129.6 | 177.8 | -177.3 | 0 | 0 | 0 | 0 | 109.3 | A46 S47 I48 I78 M107 Y141 V143 F164 L166 | A46-V105 HydrophobicContact CB-CG1 4.03Å; S47-V105 WeakPolarHBondContact O-CA 3.38Å; I48-V105 HydrophobicContact CG1-CG2 4.45Å; I78-V105 HydrophobicContact CD1-CG1 3.83Å; I78-V105 HydrophobicContact CG1-CG1 4.02Å; I78-V105 HydrophobicContact CG1-CG2 4.35Å; V105-M107 HydrophobicContact CG1-CG 3.85Å; V105-M107 HydrophobicContact CG1-SD 4.22Å; V105-Y141 PolarHBondContact N-O 2.88Å; V105-Y141 PolarHBondContact O-N 3.44Å; V105-V143 HydrophobicContact CG2-CG2 4.25Å; V105-F164 HydrophobicContact CG2-CD2 4.31Å; V105-L166 HydrophobicContact CB-CD2 4.03Å; V105-L166 HydrophobicContact CG2-CD2 3.78Å |
| 106 | R | 90 | Very high | 82.1 | Confident | 6 Ų | 6 | 49.8 Ų | 49.8 | 2% | 0.023 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 131.2 | 175.4 | -173.3 | 179 | 176.4 | 95.9 | -3.2 | 109.1 | A46 S47 Q49 T109 K111 L112 P114 E118 F140 | A46-R106 WeakPolarHBondContact CA-O 3.4Å; S47-R106 PolarHBondContact N-O 2.99Å; S47-R106 PolarHBondContact O-N 3.02Å; Q49-R106 VanDerWaalsContact NE2-CD 3.33Å; R106-T109 HydrophobicContact CG-CG2 3.74Å; R106-T109 VanDerWaalsContact NE-CG2 3.33Å; R106-K111 PolarHBondContact NE-O 3.09Å; R106-K111 PolarHBondContact NH2-O 3.15Å; R106-L112 WeakPolarHBondContact CD-O 3.36Å; R106-L112 PolarHBondContact NE-O 2.78Å; R106-L112 VanDerWaalsContact NE-O 3.15Å; R106-P114 VanDerWaalsContact NH1-CB 3.31Å; R106-E118 IonicContact NH2-OE2 3.74Å; R106-E118 PolarHBondContact NH2-OE2 3.45Å; R106-F140 HydrophobicContact CB-CD1 4.18Å; R106-F140 HydrophobicContact CB-CE1 4.22Å; R106-F140 HydrophobicContact CG-CE1 4.41Å |
| 107 | M | 89.2 | Confident | 81.5 | Confident | 11 Ų | 11 | 53 Ų | 53 | 5% | 0.054 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 173.2 | -174.4 | -57.5 | -176.4 | -78.7 | 0 | 0 | 111.1 | A46 L72 I78 V105 T109 Y141 L166 P170 L178 | A46-M107 HydrophobicContact CB-CG 3.74Å; A46-M107 HydrophobicContact CB-SD 4.34Å; L72-M107 HydrophobicContact CB-SD 4.17Å; L72-M107 HydrophobicContact CD1-CE 4.41Å; L72-M107 HydrophobicContact CD1-SD 3.84Å; L72-M107 HydrophobicContact CD2-SD 4.01Å; L72-M107 HydrophobicContact CG-SD 4.24Å; I78-M107 HydrophobicContact CD1-SD 3.65Å; V105-M107 HydrophobicContact CG1-CG 3.85Å; V105-M107 HydrophobicContact CG1-SD 4.22Å; M107-T109 WeakPolarHBondContact O-CG2 3.07Å; M107-T109 PolarHBondContact O-N 3.35Å; M107-T109 VanDerWaalsContact O-N 3.13Å; M107-Y141 HydrophobicContact CE-CD1 4.31Å; M107-Y141 HydrophobicContact CE-CD2 3.58Å; M107-Y141 HydrophobicContact CE-CE1 4.43Å; M107-Y141 HydrophobicContact CE-CE2 3.74Å; M107-Y141 HydrophobicContact CE-CG 3.92Å; M107-L166 HydrophobicContact CE-CD1 3.93Å; M107-P170 HydrophobicContact CE-CG 4.47Å; M107-L178 HydrophobicContact CB-CD1 3.84Å; M107-L178 HydrophobicContact SD-CD1 4.12Å |
| 108 | A | 81 | Confident | 80.9 | Confident | 6 Ų | 6 | 53.4 Ų | 53.4 | 5% | 0.05 | 28% | 0.276 | C | S | . | . | S | Bend | trans | 56.9 | 28.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | R39 I175 L178 | R39-A108 PolarHBondContact NE-O 2.97Å; R39-A108 PolarHBondContact NH2-O 3.4Å; A108-I175 HydrophobicContact CB-CG2 3.91Å; A108-L178 HydrophobicContact CB-CB 3.91Å; A108-L178 HydrophobicContact CB-CD1 4.2Å |
| 109 | T | 74 | Confident | 80.1 | Confident | 27 Ų | 27 | 53.7 Ų | 53.7 | 17% | 0.166 | 27% | 0.273 | C | S | . | . | trans | -146 | 142.9 | -175.3 | -175.9 | 0 | 0 | 0 | 0 | 111.1 | R106 M107 K111 W204 | R106-T109 HydrophobicContact CG-CG2 3.74Å; R106-T109 VanDerWaalsContact NE-CG2 3.33Å; M107-T109 WeakPolarHBondContact O-CG2 3.07Å; M107-T109 PolarHBondContact O-N 3.35Å; M107-T109 VanDerWaalsContact O-N 3.13Å; T109-K111 VanDerWaalsContact C-N 3.35Å; T109-K111 WeakPolarHBondContact CG2-O 3.16Å; T109-K111 PolarHBondContact OG1-N 3.39Å; T109-W204 WeakPolarHBondContact O-CZ2 3.09Å | ||
| 110 | E | 67.8 | Low | 79.4 | Confident | 49 Ų | 49 | 54 Ų | 54 | 23% | 0.229 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -71.7 | -34.3 | 172.1 | -65.4 | 176.9 | -166.9 | 0 | 0 | 111.2 | R39 W204 L215 K216 | R39-E110 WeakPolarHBondContact CA-OE1 3.24Å; R39-E110 HydrophobicContact CB-CG 3.67Å; R39-E110 VanDerWaalsContact CB-OE1 3.24Å; R39-E110 WeakPolarHBondContact CB-OE1 3.41Å; R39-E110 HydrophobicContact CG-CG 4.18Å; R39-E110 PolarHBondContact N-OE1 2.99Å; E110-W204 PolarHBondContact O-NE1 3.11Å; E110-L215 CarbonylContact C-O 3.15Å; E110-K216 WeakPolarHBondContact O-CA 3.35Å |
| 111 | K | 69.5 | Low | 78.8 | Confident | 115 Ų | 115 | 59 Ų | 59 | 50% | 0.5 | 30% | 0.296 | S | S | . | . | trans | -93.3 | 122.7 | -169.5 | -65.8 | -178.3 | -178.3 | 178.2 | 0 | 112 | R106 T109 L215 | R106-K111 PolarHBondContact NE-O 3.09Å; R106-K111 PolarHBondContact NH2-O 3.15Å; T109-K111 VanDerWaalsContact C-N 3.35Å; T109-K111 WeakPolarHBondContact CG2-O 3.16Å; T109-K111 PolarHBondContact OG1-N 3.39Å; K111-L215 VanDerWaalsContact CA-O 3.3Å; K111-L215 WeakPolarHBondContact CA-O 3.17Å | ||
| 112 | L | 67.6 | Low | 78.3 | Confident | 12 Ų | 12 | 50.6 Ų | 50.6 | 6% | 0.063 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -64 | -40.6 | 174.3 | -76.8 | -178.8 | 0 | 0 | 0 | 113.8 | S47 Q49 H66 R106 W204 P213 T214 | S47-L112 WeakPolarHBondContact OG-CD2 3.5Å; Q49-L112 PolarHBondContact NE2-O 3.06Å; Q49-L112 VanDerWaalsContact NE2-O 3.08Å; H66-L112 HydrophobicContact CB-CD1 3.5Å; H66-L112 VanDerWaalsContact CB-CD1 3.5Å; H66-L112 HydrophobicContact CB-CD2 3.91Å; H66-L112 HydrophobicContact CB-CG 4.23Å; R106-L112 WeakPolarHBondContact CD-O 3.36Å; R106-L112 PolarHBondContact NE-O 2.78Å; R106-L112 VanDerWaalsContact NE-O 3.15Å; L112-W204 HydrophobicContact CD1-CB 3.57Å; L112-W204 HydrophobicContact CD1-CG 4.12Å; L112-W204 HydrophobicContact CD2-CB 3.67Å; L112-W204 HydrophobicContact CD2-CD2 3.96Å; L112-W204 HydrophobicContact CD2-CG 3.49Å; L112-W204 VanDerWaalsContact CD2-CG 3.49Å; L112-W204 HydrophobicContact CG-CB 3.72Å; L112-W204 HydrophobicContact CG-CG 3.7Å; L112-P213 HydrophobicContact CD1-CB 3.4Å; L112-P213 HydrophobicContact CD1-CG 4.41Å; L112-T214 WeakPolarHBondContact CD1-O 3.35Å |
| 113 | S | 67.6 | Low | 77.9 | Confident | 43 Ų | 43 | 49.8 Ų | 49.8 | 30% | 0.301 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -101.6 | 123.1 | 178.8 | -173.2 | 0 | 0 | 0 | 0 | 110.5 | T61 | T61-S113 PolarHBondContact O-OG 3.07Š|
| 114 | P | 65.3 | Low | 77.5 | Confident | 4 Ų | 4 | 55.6 Ų | 55.6 | 3% | 0.026 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -70.9 | 136 | 173.6 | 25 | -25.4 | 0 | 0 | 0 | 110.8 | R106 E118 R119 T139 F140 | R106-P114 VanDerWaalsContact NH1-CB 3.31Å; P114-E118 WeakPolarHBondContact CA-OE2 3.4Å; P114-E118 HydrophobicContact CB-CB 3.63Å; P114-E118 WeakPolarHBondContact CB-OE2 3.48Å; P114-R119 HydrophobicContact CB-CG 3.97Å; P114-R119 HydrophobicContact CG-CG 3.77Å; P114-T139 HydrophobicContact CB-CG2 3.73Å; P114-T139 HydrophobicContact CG-CG2 3.81Å; P114-F140 HydrophobicContact CG-CE2 4.02Å; P114-F140 HydrophobicContact CG-CZ 3.82Å |
| 115 | G | 70.3 | Confident | 77 | Confident | 42 Ų | 42 | 55.3 Ų | 55.3 | 43% | 0.433 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 165.6 | 166.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L117 E118 R119 | G115-L117 PolarHBondContact O-N 3.48Å; G115-L117 VanDerWaalsContact O-N 3.16Å; G115-E118 WeakPolarHBondContact O-CB 3.23Å; G115-E118 PolarHBondContact O-N 3.1Å; G115-R119 PolarHBondContact O-N 3.01Å |
| 116 | I | 76.5 | Confident | 76.3 | Confident | 140 Ų | 140 | 60 Ų | 60 | 72% | 0.718 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -54 | -39.1 | -178.7 | -164.7 | 160.3 | 0 | 0 | 0 | 112.8 | R119 L120 | I116-R119 WeakPolarHBondContact O-CB 3.27Å; I116-R119 PolarHBondContact O-N 3.32Å; I116-L120 WeakPolarHBondContact O-CG 3.12Å; I116-L120 PolarHBondContact O-N 3.28Å |
| 117 | L | 75.6 | Confident | 75.9 | Confident | 136 Ų | 136 | 63.9 Ų | 63.9 | 71% | 0.712 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -66.6 | -38.9 | 177.5 | -174.5 | 64.1 | 0 | 0 | 0 | 112.6 | G115 R119 L120 K121 | G115-L117 PolarHBondContact O-N 3.48Å; G115-L117 VanDerWaalsContact O-N 3.16Å; L117-R119 VanDerWaalsContact C-N 3.3Å; L117-R119 PolarHBondContact O-N 2.95Å; L117-L120 PolarHBondContact O-N 2.9Å; L117-K121 VanDerWaalsContact O-CB 3.25Å; L117-K121 WeakPolarHBondContact O-CB 3.44Å; L117-K121 PolarHBondContact O-N 2.86Å |
| 118 | E | 75 | Confident | 75.5 | Confident | 76 Ų | 76 | 65.9 Ų | 65.9 | 36% | 0.355 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -67.8 | -32.7 | 176.1 | -71.8 | -173.4 | 177.3 | 0 | 0 | 111.8 | R106 P114 G115 G122 T139 | R106-E118 IonicContact NH2-OE2 3.74Å; R106-E118 PolarHBondContact NH2-OE2 3.45Å; P114-E118 WeakPolarHBondContact CA-OE2 3.4Å; P114-E118 HydrophobicContact CB-CB 3.63Å; P114-E118 WeakPolarHBondContact CB-OE2 3.48Å; G115-E118 WeakPolarHBondContact O-CB 3.23Å; G115-E118 PolarHBondContact O-N 3.1Å; E118-G122 PolarHBondContact O-N 2.86Å; E118-T139 PolarHBondContact O-OG1 2.87Å; E118-T139 VanDerWaalsContact O-OG1 3.04Å |
| 119 | R | 75.1 | Confident | 75.3 | Confident | 66 Ų | 66 | 65.9 Ų | 65.9 | 25% | 0.249 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -67.4 | -48.2 | 173.8 | -69.6 | -175 | 162.7 | 153.3 | 12.1 | 112.1 | T61 G62 P114 G115 I116 L117 G122 A123 | T61-R119 VanDerWaalsContact C-NH2 3.35Å; T61-R119 PolarHBondContact O-NH1 2.98Å; T61-R119 PolarHBondContact O-NH2 2.99Å; G62-R119 VanDerWaalsContact CA-CZ 3.47Å; P114-R119 HydrophobicContact CB-CG 3.97Å; P114-R119 HydrophobicContact CG-CG 3.77Å; G115-R119 PolarHBondContact O-N 3.01Å; I116-R119 WeakPolarHBondContact O-CB 3.27Å; I116-R119 PolarHBondContact O-N 3.32Å; L117-R119 VanDerWaalsContact C-N 3.3Å; L117-R119 PolarHBondContact O-N 2.95Å; R119-G122 PolarHBondContact O-N 2.86Å; R119-A123 PolarHBondContact O-N 3.38Å |
| 120 | L | 78.2 | Confident | 75.5 | Confident | 115 Ų | 115 | 69.6 Ų | 69.6 | 60% | 0.602 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -61.7 | -45.1 | 176.8 | -69.5 | 173.4 | 0 | 0 | 0 | 111.1 | I116 L117 G122 A123 F124 | I116-L120 WeakPolarHBondContact O-CG 3.12Å; I116-L120 PolarHBondContact O-N 3.28Å; L117-L120 PolarHBondContact O-N 2.9Å; L120-G122 VanDerWaalsContact C-N 3.3Å; L120-G122 PolarHBondContact O-N 3.03Å; L120-A123 PolarHBondContact O-N 3.18Å; L120-F124 PolarHBondContact O-N 3.34Å |
| 121 | K | 79.9 | Confident | 76.1 | Confident | 137 Ų | 137 | 72.2 Ų | 72.2 | 60% | 0.596 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -59.4 | -41.4 | 173.7 | -173 | 176.2 | -179 | 178.4 | 0 | 111.6 | L117 F124 N125 | L117-K121 VanDerWaalsContact O-CB 3.25Å; L117-K121 WeakPolarHBondContact O-CB 3.44Å; L117-K121 PolarHBondContact O-N 2.86Å; K121-F124 PolarHBondContact O-N 2.93Å; K121-N125 VanDerWaalsContact O-CB 3.31Å; K121-N125 WeakPolarHBondContact O-CB 2.96Å; K121-N125 PolarHBondContact O-N 2.81Å; K121-N125 PolarHBondContact O-OD1 3.44Å |
| 122 | G | 77.5 | Confident | 76.5 | Confident | 1 Ų | 1 | 73.1 Ų | 73.1 | 1% | 0.01 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -62.7 | -45.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | E118 R119 L120 N125 R126 T139 | E118-G122 PolarHBondContact O-N 2.86Å; R119-G122 PolarHBondContact O-N 2.86Å; L120-G122 VanDerWaalsContact C-N 3.3Å; L120-G122 PolarHBondContact O-N 3.03Å; G122-N125 PolarHBondContact O-N 2.91Å; G122-R126 WeakPolarHBondContact O-CG 2.91Å; G122-R126 PolarHBondContact O-N 2.97Å; G122-T139 WeakPolarHBondContact CA-OG1 3.41Å |
| 123 | A | 80 | Confident | 76.4 | Confident | 41 Ų | 41 | 74.2 Ų | 74.2 | 34% | 0.339 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60.5 | -46.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | R119 L120 N125 R126 V127 | R119-A123 PolarHBondContact O-N 3.38Å; L120-A123 PolarHBondContact O-N 3.18Å; A123-N125 PolarHBondContact O-N 2.99Å; A123-R126 PolarHBondContact O-N 2.81Å; A123-V127 WeakPolarHBondContact O-CG2 3.04Å; A123-V127 PolarHBondContact O-N 2.94Å; A123-V127 VanDerWaalsContact O-N 3.15Å |
| 124 | F | 83.9 | Confident | 76.3 | Confident | 123 Ų | 123 | 75.8 Ų | 75.8 | 54% | 0.539 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -60.6 | -44.7 | 174 | 178.6 | -106.1 | 0 | 0 | 0 | 112.4 | L120 K121 R126 V127 F128 K136 | L120-F124 PolarHBondContact O-N 3.34Å; K121-F124 PolarHBondContact O-N 2.93Å; F124-R126 VanDerWaalsContact C-N 3.34Å; F124-R126 PolarHBondContact O-N 2.91Å; F124-V127 PolarHBondContact O-N 3.48Å; F124-F128 WeakPolarHBondContact O-CB 3.09Å; F124-F128 PolarHBondContact O-N 2.9Å; F124-K136 VanDerWaalsContact CE1-NZ 3.28Å |
| 125 | N | 79.9 | Confident | 76.1 | Confident | 12 Ų | 12 | 78.5 Ų | 78.5 | 6% | 0.064 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -64.7 | -36 | 179.1 | -73.2 | -3.5 | 0 | 0 | 0 | 112.5 | K121 G122 A123 F128 N129 K136 L137 | K121-N125 VanDerWaalsContact O-CB 3.31Å; K121-N125 WeakPolarHBondContact O-CB 2.96Å; K121-N125 PolarHBondContact O-N 2.81Å; K121-N125 PolarHBondContact O-OD1 3.44Å; G122-N125 PolarHBondContact O-N 2.91Å; A123-N125 PolarHBondContact O-N 2.99Å; N125-F128 PolarHBondContact O-N 2.79Å; N125-N129 VanDerWaalsContact O-CB 3.24Å; N125-N129 WeakPolarHBondContact O-CB 3Å; N125-N129 PolarHBondContact O-N 2.99Å; N125-N129 PolarHBondContact O-ND2 3.24Å; N125-K136 HydrophobicContact CB-CB 3.87Å; N125-K136 HydrophobicContact CB-CD 4.39Å; N125-K136 WeakPolarHBondContact OD1-CD 3.15Å; N125-L137 PolarHBondContact ND2-O 2.85Å |
| 126 | R | 78.1 | Confident | 75.9 | Confident | 97 Ų | 97 | 79.6 Ų | 79.6 | 37% | 0.366 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -63.6 | -47.6 | 173.8 | -78.1 | -171.6 | -61.6 | -137.3 | 0.9 | 111.8 | G122 A123 F124 N129 S130 | G122-R126 WeakPolarHBondContact O-CG 2.91Å; G122-R126 PolarHBondContact O-N 2.97Å; A123-R126 PolarHBondContact O-N 2.81Å; F124-R126 VanDerWaalsContact C-N 3.34Å; F124-R126 PolarHBondContact O-N 2.91Å; R126-N129 PolarHBondContact O-N 2.79Å; R126-S130 WeakPolarHBondContact O-CB 2.99Å; R126-S130 PolarHBondContact O-N 2.8Å |
| 127 | V | 81.3 | Confident | 75.4 | Confident | 89 Ų | 89 | 75.9 Ų | 75.9 | 54% | 0.539 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61.1 | -46.7 | 176.1 | 175.7 | 0 | 0 | 0 | 0 | 110.4 | A123 F124 N129 S130 I131 | A123-V127 WeakPolarHBondContact O-CG2 3.04Å; A123-V127 PolarHBondContact O-N 2.94Å; A123-V127 VanDerWaalsContact O-N 3.15Å; F124-V127 PolarHBondContact O-N 3.48Å; V127-N129 PolarHBondContact O-N 3.41Å; V127-S130 WeakPolarHBondContact O-CB 3.46Å; V127-S130 PolarHBondContact O-N 3.2Å; V127-I131 HydrophobicContact CG1-CD1 3.86Å; V127-I131 WeakPolarHBondContact O-CG1 3.15Å; V127-I131 PolarHBondContact O-N 2.9Å |
| 128 | F | 80.6 | Confident | 75.1 | Confident | 52 Ų | 52 | 70 Ų | 70 | 23% | 0.228 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -57.2 | -47.6 | 175.9 | -174.4 | -84.2 | 0 | 0 | 0 | 111.6 | F124 N125 S130 I131 F132 V135 K136 | F124-F128 WeakPolarHBondContact O-CB 3.09Å; F124-F128 PolarHBondContact O-N 2.9Å; N125-F128 PolarHBondContact O-N 2.79Å; F128-S130 VanDerWaalsContact C-N 3.3Å; F128-S130 PolarHBondContact O-N 3.44Å; F128-I131 PolarHBondContact O-N 2.83Å; F128-F132 HydrophobicContact CD1-CB 4.26Å; F128-F132 HydrophobicContact CD1-CD2 4.09Å; F128-F132 AromaticContact CD2-CD2 3.46Å; F128-F132 HydrophobicContact CD2-CD2 3.46Å; F128-F132 VanDerWaalsContact CD2-CD2 3.46Å; F128-F132 AromaticContact CD2-CE2 3.77Å; F128-F132 HydrophobicContact CD2-CE2 3.77Å; F128-F132 HydrophobicContact CD2-CG 4.49Å; F128-F132 HydrophobicContact CE1-CB 3.84Å; F128-F132 HydrophobicContact CE1-CD2 4.03Å; F128-F132 HydrophobicContact CE1-CG 4.24Å; F128-F132 AromaticContact CE2-CD2 3.4Å; F128-F132 HydrophobicContact CE2-CD2 3.4Å; F128-F132 VanDerWaalsContact CE2-CD2 3.4Å; F128-F132 AromaticContact CE2-CE2 3.74Å; F128-F132 HydrophobicContact CE2-CE2 3.74Å; F128-F132 HydrophobicContact CE2-CG 4.12Å; F128-F132 AromaticContact CG-CD2 3.81Å; F128-F132 HydrophobicContact CG-CD2 3.81Å; F128-F132 HydrophobicContact CG-CE2 4.48Å; F128-F132 HydrophobicContact CZ-CB 4.03Å; F128-F132 AromaticContact CZ-CD2 3.7Å; F128-F132 HydrophobicContact CZ-CD2 3.7Å; F128-F132 HydrophobicContact CZ-CE2 4.42Å; F128-F132 AromaticContact CZ-CG 3.98Å; F128-F132 HydrophobicContact CZ-CG 3.98Å; F128-F132 WeakPolarHBondContact O-CB 3.03Å; F128-F132 WeakPolarHBondContact O-CD2 3.4Å; F128-F132 PolarHBondContact O-N 2.99Å; F128-V135 HydrophobicContact CE1-CB 4.28Å; F128-K136 HydrophobicContact CB-CD 4.23Å; F128-K136 HydrophobicContact CD1-CD 3.65Å; F128-K136 VanDerWaalsContact CD1-CE 3.48Å; F128-K136 HydrophobicContact CD1-CG 3.79Å; F128-K136 HydrophobicContact CE1-CD 4.14Å; F128-K136 HydrophobicContact CE1-CG 4.09Å; F128-K136 HydrophobicContact CG-CD 3.86Å; F128-K136 HydrophobicContact CG-CG 4.5Å |
| 129 | N | 77.9 | Confident | 75.1 | Confident | 6 Ų | 6 | 67.5 Ų | 67.5 | 3% | 0.032 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -67.5 | -31.2 | -179.3 | -74.5 | -14.5 | 0 | 0 | 0 | 113.1 | N125 R126 V127 I131 G133 V135 K136 | N125-N129 VanDerWaalsContact O-CB 3.24Å; N125-N129 WeakPolarHBondContact O-CB 3Å; N125-N129 PolarHBondContact O-N 2.99Å; N125-N129 PolarHBondContact O-ND2 3.24Å; R126-N129 PolarHBondContact O-N 2.79Å; V127-N129 PolarHBondContact O-N 3.41Å; N129-I131 VanDerWaalsContact C-N 3.28Å; N129-G133 VanDerWaalsContact CA-O 3.25Å; N129-G133 WeakPolarHBondContact CA-O 3.35Å; N129-G133 CarbonylContact O-C 3.58Å; N129-G133 WeakPolarHBondContact O-CA 3.4Å; N129-G133 PolarHBondContact O-N 2.91Å; N129-G133 PolarHBondContact OD1-O 2.76Å; N129-V135 PolarHBondContact OD1-N 3.09Å; N129-K136 PolarHBondContact ND2-O 3.46Å; N129-K136 PolarHBondContact OD1-N 2.78Å |
| 130 | S | 78.3 | Confident | 75.5 | Confident | 106 Ų | 106 | 64.7 Ų | 64.7 | 74% | 0.741 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -67.7 | -29.5 | 174.3 | -170.5 | 0 | 0 | 0 | 0 | 112.5 | R126 V127 F128 | R126-S130 WeakPolarHBondContact O-CB 2.99Å; R126-S130 PolarHBondContact O-N 2.8Å; V127-S130 WeakPolarHBondContact O-CB 3.46Å; V127-S130 PolarHBondContact O-N 3.2Å; F128-S130 VanDerWaalsContact C-N 3.3Å; F128-S130 PolarHBondContact O-N 3.44Å |
| 131 | I | 79.5 | Confident | 76 | Confident | 104 Ų | 104 | 59.6 Ų | 59.6 | 53% | 0.533 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -92.6 | -44.9 | -177.5 | -63.2 | 168.2 | 0 | 0 | 0 | 111.3 | V127 F128 N129 | V127-I131 HydrophobicContact CG1-CD1 3.86Å; V127-I131 WeakPolarHBondContact O-CG1 3.15Å; V127-I131 PolarHBondContact O-N 2.9Å; F128-I131 PolarHBondContact O-N 2.83Å; N129-I131 VanDerWaalsContact C-N 3.28Å |
| 132 | F | 78.1 | Confident | 76.6 | Confident | 133 Ų | 133 | 55.5 Ų | 55.5 | 58% | 0.583 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -107.2 | 5.5 | -170.8 | -58.8 | -74.1 | 0 | 0 | 0 | 113.8 | F128 | F128-F132 HydrophobicContact CD1-CB 4.26Å; F128-F132 HydrophobicContact CD1-CD2 4.09Å; F128-F132 AromaticContact CD2-CD2 3.46Å; F128-F132 HydrophobicContact CD2-CD2 3.46Å; F128-F132 VanDerWaalsContact CD2-CD2 3.46Å; F128-F132 AromaticContact CD2-CE2 3.77Å; F128-F132 HydrophobicContact CD2-CE2 3.77Å; F128-F132 HydrophobicContact CD2-CG 4.49Å; F128-F132 HydrophobicContact CE1-CB 3.84Å; F128-F132 HydrophobicContact CE1-CD2 4.03Å; F128-F132 HydrophobicContact CE1-CG 4.24Å; F128-F132 AromaticContact CE2-CD2 3.4Å; F128-F132 HydrophobicContact CE2-CD2 3.4Å; F128-F132 VanDerWaalsContact CE2-CD2 3.4Å; F128-F132 AromaticContact CE2-CE2 3.74Å; F128-F132 HydrophobicContact CE2-CE2 3.74Å; F128-F132 HydrophobicContact CE2-CG 4.12Å; F128-F132 AromaticContact CG-CD2 3.81Å; F128-F132 HydrophobicContact CG-CD2 3.81Å; F128-F132 HydrophobicContact CG-CE2 4.48Å; F128-F132 HydrophobicContact CZ-CB 4.03Å; F128-F132 AromaticContact CZ-CD2 3.7Å; F128-F132 HydrophobicContact CZ-CD2 3.7Å; F128-F132 HydrophobicContact CZ-CE2 4.42Å; F128-F132 AromaticContact CZ-CG 3.98Å; F128-F132 HydrophobicContact CZ-CG 3.98Å; F128-F132 WeakPolarHBondContact O-CB 3.03Å; F128-F132 WeakPolarHBondContact O-CD2 3.4Å; F128-F132 PolarHBondContact O-N 2.99Å |
| 133 | G | 65.1 | Low | 77.3 | Confident | 35 Ų | 35 | 55.9 Ų | 55.9 | 36% | 0.361 | 30% | 0.296 | S | S | . | . | trans | 82.4 | 163.1 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | N129 V135 | N129-G133 VanDerWaalsContact CA-O 3.25Å; N129-G133 WeakPolarHBondContact CA-O 3.35Å; N129-G133 CarbonylContact O-C 3.58Å; N129-G133 WeakPolarHBondContact O-CA 3.4Å; N129-G133 PolarHBondContact O-N 2.91Å; N129-G133 PolarHBondContact OD1-O 2.76Å; G133-V135 PolarHBondContact O-N 2.85Å | ||
| 134 | H | 65.8 | Low | 78 | Confident | 76 Ų | 76 | 57.3 Ų | 57.3 | 35% | 0.352 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -68.7 | 83.7 | -173.3 | -60.6 | -73 | 0 | 0 | 0 | 112.9 | V171 | H134-V171 WeakPolarHBondContact O-CG2 3.49Š|
| 135 | V | 61.7 | Low | 78.6 | Confident | 62 Ų | 62 | 54.4 Ų | 54.4 | 38% | 0.376 | 28% | 0.284 | S | S | . | . | trans | -108 | -35.6 | -177.9 | 177.2 | 0 | 0 | 0 | 0 | 112.1 | F128 N129 G133 K174 | F128-V135 HydrophobicContact CE1-CB 4.28Å; N129-V135 PolarHBondContact OD1-N 3.09Å; G133-V135 PolarHBondContact O-N 2.85Å; V135-K174 HydrophobicContact CG1-CD 4.3Å | ||
| 136 | K | 65.2 | Low | 79.5 | Confident | 64 Ų | 64 | 55 Ų | 55 | 28% | 0.278 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -98.4 | 144.3 | -173.1 | -62.4 | -171.2 | -179.8 | 173.6 | 0 | 112.1 | F124 N125 F128 N129 Q138 | F124-K136 VanDerWaalsContact CE1-NZ 3.28Å; N125-K136 HydrophobicContact CB-CB 3.87Å; N125-K136 HydrophobicContact CB-CD 4.39Å; N125-K136 WeakPolarHBondContact OD1-CD 3.15Å; F128-K136 HydrophobicContact CB-CD 4.23Å; F128-K136 HydrophobicContact CD1-CD 3.65Å; F128-K136 VanDerWaalsContact CD1-CE 3.48Å; F128-K136 HydrophobicContact CD1-CG 3.79Å; F128-K136 HydrophobicContact CE1-CD 4.14Å; F128-K136 HydrophobicContact CE1-CG 4.09Å; F128-K136 HydrophobicContact CG-CD 3.86Å; F128-K136 HydrophobicContact CG-CG 4.5Å; N129-K136 PolarHBondContact ND2-O 3.46Å; N129-K136 PolarHBondContact OD1-N 2.78Å; K136-Q138 PolarHBondContact O-N 3.1Å |
| 137 | L | 66.5 | Low | 80.4 | Confident | 63 Ų | 63 | 51.9 Ų | 51.9 | 33% | 0.33 | 28% | 0.276 | S | S | . | . | P | Polyproline II helix | trans | -53.5 | 128.5 | 172 | 178.4 | 60.7 | 0 | 0 | 0 | 110.7 | N125 Y141 I175 | N125-L137 PolarHBondContact ND2-O 2.85Å; L137-Y141 HydrophobicContact CD1-CE2 4.47Å; L137-I175 HydrophobicContact CB-CG1 4.47Å; L137-I175 HydrophobicContact CD1-CB 4.44Å; L137-I175 HydrophobicContact CD1-CD1 3.93Å; L137-I175 HydrophobicContact CD1-CG1 4.02Å; L137-I175 HydrophobicContact CD1-CG2 3.56Å; L137-I175 HydrophobicContact CD2-CG2 4.35Å; L137-I175 HydrophobicContact CG-CG2 4.44Å |
| 138 | Q | 70.2 | Confident | 81.2 | Confident | 11 Ų | 11 | 50.4 Ų | 50.4 | 5% | 0.051 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -91.7 | 143.7 | 173.3 | -55.6 | -160.1 | 34 | 0 | 0 | 110.4 | K136 F140 Y141 E168 | K136-Q138 PolarHBondContact O-N 3.1Å; Q138-F140 WeakPolarHBondContact CB-O 2.75Å; Q138-F140 PolarHBondContact O-N 3.04Å; Q138-F140 PolarHBondContact OE1-O 3.4Å; Q138-Y141 HydrophobicContact CB-CD2 4.49Å; Q138-Y141 HydrophobicContact CB-CE2 4.17Å; Q138-E168 VanDerWaalsContact NE2-CG 3.34Å |
| 139 | T | 73.9 | Confident | 82 | Confident | 25 Ų | 25 | 48.8 Ų | 48.8 | 15% | 0.153 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -67.6 | -30.8 | 172.7 | -51.5 | 0 | 0 | 0 | 0 | 111.3 | P114 E118 G122 | P114-T139 HydrophobicContact CB-CG2 3.73Å; P114-T139 HydrophobicContact CG-CG2 3.81Å; E118-T139 PolarHBondContact O-OG1 2.87Å; E118-T139 VanDerWaalsContact O-OG1 3.04Å; G122-T139 WeakPolarHBondContact CA-OG1 3.41Å |
| 140 | F | 83.7 | Confident | 82.9 | Confident | 7 Ų | 7 | 53.5 Ų | 53.5 | 3% | 0.031 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -142 | 137.1 | 177.5 | -62.3 | -69.3 | 0 | 0 | 0 | 109.4 | Q49 E64 H104 R106 P114 Q138 | Q49-F140 VanDerWaalsContact OE1-CE1 3.22Å; E64-F140 HydrophobicContact CB-CE1 4.21Å; E64-F140 HydrophobicContact CB-CZ 4.16Å; E64-F140 HydrophobicContact CG-CZ 4.49Å; E64-F140 WeakPolarHBondContact OE2-CE2 2.97Å; E64-F140 WeakPolarHBondContact OE2-CZ 2.88Å; H104-F140 HydrophobicContact CB-CB 4.32Å; H104-F140 HydrophobicContact CB-CD1 4.23Å; R106-F140 HydrophobicContact CB-CD1 4.18Å; R106-F140 HydrophobicContact CB-CE1 4.22Å; R106-F140 HydrophobicContact CG-CE1 4.41Å; P114-F140 HydrophobicContact CG-CE2 4.02Å; P114-F140 HydrophobicContact CG-CZ 3.82Å; Q138-F140 WeakPolarHBondContact CB-O 2.75Å; Q138-F140 PolarHBondContact O-N 3.04Å; Q138-F140 PolarHBondContact OE1-O 3.4Å |
| 141 | Y | 90 | Very high | 83.8 | Confident | 7 Ų | 7 | 54.6 Ų | 54.6 | 3% | 0.027 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 142.3 | 168.9 | -67.2 | -100.2 | 0 | 0 | 0 | 108.6 | H104 V105 M107 L137 Q138 L166 E168 P170 I175 | H104-Y141 CarbonylContact C-O 2.93Å; H104-Y141 WeakPolarHBondContact CA-O 3.08Å; V105-Y141 PolarHBondContact N-O 2.88Å; V105-Y141 PolarHBondContact O-N 3.44Å; M107-Y141 HydrophobicContact CE-CD1 4.31Å; M107-Y141 HydrophobicContact CE-CD2 3.58Å; M107-Y141 HydrophobicContact CE-CE1 4.43Å; M107-Y141 HydrophobicContact CE-CE2 3.74Å; M107-Y141 HydrophobicContact CE-CG 3.92Å; L137-Y141 HydrophobicContact CD1-CE2 4.47Å; Q138-Y141 HydrophobicContact CB-CD2 4.49Å; Q138-Y141 HydrophobicContact CB-CE2 4.17Å; Y141-L166 HydrophobicContact CD1-CD1 4.22Å; Y141-L166 HydrophobicContact CG-CD1 4.3Å; Y141-E168 HydrophobicContact CD1-CB 4.17Å; Y141-P170 HydrophobicContact CE1-CB 3.72Å; Y141-P170 HydrophobicContact CE1-CG 4.14Å; Y141-I175 WeakPolarHBondContact OH-CD1 3.19Å |
| 142 | H | 90.7 | Very high | 84.5 | Confident | 51 Ų | 51 | 50.4 Ų | 50.4 | 24% | 0.236 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 152.3 | 179.8 | -57.4 | 87.1 | 0 | 0 | 0 | 110.2 | H104 L166 K167 E168 | H104-H142 AromaticContact CE1-CD2 3.49Å; H104-H142 PolarHBondContact CE1-CD2 2.72Å; H104-H142 VanDerWaalsContact CE1-CD2 3.49Å; H104-H142 AromaticContact CE1-NE2 3.76Å; H104-H142 AromaticContact ND1-CD2 3.43Å; H104-H142 PolarHBondContact ND1-CD2 3.16Å; H104-H142 AromaticContact ND1-NE2 3.76Å; H142-L166 CarbonylContact O-C 3.57Å; H142-L166 WeakPolarHBondContact O-CA 3.18Å; H142-K167 HydrophobicContact CB-CB 4.23Å; H142-K167 PolarHBondContact O-N 2.02Å; H142-E168 IonicContact CE1-OE1 3.76Å; H142-E168 IonicContact CG-OE1 3.16Å; H142-E168 PolarHBondContact N-OE2 2.91Å; H142-E168 IonicContact ND1-OE1 2.68Å; H142-E168 PolarHBondContact ND1-OE1 3.07Å; H142-E168 IonicContact ND1-OE2 3.28Å |
| 143 | V | 93.9 | Very high | 85.1 | Confident | 10 Ų | 10 | 50.2 Ų | 50.2 | 6% | 0.061 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 127.5 | 177.1 | -173.4 | 0 | 0 | 0 | 0 | 109.3 | P100 W103 V105 E145 I146 F164 | P100-V143 HydrophobicContact CB-CB 4.19Å; P100-V143 HydrophobicContact CB-CG1 4.08Å; P100-V143 WeakPolarHBondContact CB-O 3.5Å; W103-V143 HydrophobicContact CB-CB 4.37Å; W103-V143 HydrophobicContact CB-CG2 3.7Å; V105-V143 HydrophobicContact CG2-CG2 4.25Å; V143-E145 WeakPolarHBondContact CG1-O 3.27Å; V143-I146 HydrophobicContact CG1-CD1 4.24Å; V143-I146 HydrophobicContact CG1-CG1 3.64Å; V143-F164 HydrophobicContact CB-CD2 4.48Å; V143-F164 HydrophobicContact CG1-CB 4.12Å; V143-F164 HydrophobicContact CG1-CD2 4.1Å; V143-F164 HydrophobicContact CG1-CG 4.12Å; V143-F164 HydrophobicContact CG2-CB 4.45Å; V143-F164 HydrophobicContact CG2-CD2 3.5Å; V143-F164 HydrophobicContact CG2-CE2 4.05Å; V143-F164 HydrophobicContact CG2-CG 4.28Å |
| 144 | E | 94.5 | Very high | 86.1 | Confident | 70 Ų | 70 | 50.8 Ų | 50.8 | 33% | 0.327 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | -49.4 | 169.7 | -173.9 | -171.7 | 169.7 | 0 | 0 | 109.6 | P100 K165 K167 K315 | P100-E144 WeakPolarHBondContact CG-O 3.42Å; E144-K165 PolarHBondContact N-O 2.9Å; E144-K165 IonicContact OE1-NZ 3.7Å; E144-K165 WeakPolarHBondContact OE2-CD 3.47Å; E144-K165 WeakPolarHBondContact OE2-CE 3.28Å; E144-K165 IonicContact OE2-NZ 3.03Å; E144-K165 PolarHBondContact OE2-NZ 2.75Å; E144-K167 HydrophobicContact CB-CB 4.32Å; E144-K315 IonicContact OE1-NZ 2.78Å; E144-K315 PolarHBondContact OE1-NZ 2.81Å |
| 145 | E | 96.3 | Very high | 86.8 | Confident | 63 Ų | 63 | 51 Ų | 51 | 29% | 0.294 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 151.1 | -167.7 | -159.6 | 164 | 178.4 | 0 | 0 | 110.9 | V143 F147 K165 K315 | V143-E145 WeakPolarHBondContact CG1-O 3.27Å; E145-F147 HydrophobicContact CB-CE2 3.84Å; E145-F147 HydrophobicContact CB-CZ 4Å; E145-F147 HydrophobicContact CG-CE1 4.12Å; E145-F147 HydrophobicContact CG-CE2 3.76Å; E145-F147 HydrophobicContact CG-CZ 3.48Å; E145-F147 VanDerWaalsContact CG-CZ 3.48Å; E145-K165 HydrophobicContact CB-CB 4.38Å; E145-K165 PolarHBondContact N-O 3.49Å; E145-K165 PolarHBondContact O-N 2.85Å; E145-K315 IonicContact OE2-NZ 3.7Å |
| 146 | I | 97.7 | Very high | 87.8 | Confident | 24 Ų | 24 | 51.2 Ų | 51.2 | 12% | 0.123 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 131.7 | -176.5 | -64 | 174.6 | 0 | 0 | 0 | 108.8 | L85 P100 W103 V143 F164 | L85-I146 HydrophobicContact CD1-CG2 3.55Å; L85-I146 HydrophobicContact CD2-CG2 4.49Å; P100-I146 HydrophobicContact CG-CG1 4.42Å; W103-I146 HydrophobicContact CG-CD1 4.26Å; V143-I146 HydrophobicContact CG1-CD1 4.24Å; V143-I146 HydrophobicContact CG1-CG1 3.64Å; I146-F164 HydrophobicContact CB-CD1 4.32Å; I146-F164 HydrophobicContact CB-CE1 4.31Å; I146-F164 HydrophobicContact CD1-CD1 4.4Å; I146-F164 HydrophobicContact CD1-CE1 3.9Å; I146-F164 HydrophobicContact CD1-CE2 4.42Å; I146-F164 HydrophobicContact CD1-CZ 3.9Å; I146-F164 HydrophobicContact CG1-CD1 3.83Å; I146-F164 HydrophobicContact CG1-CE1 3.8Å; I146-F164 HydrophobicContact CG1-CG 4.29Å; I146-F164 HydrophobicContact CG1-CZ 4.23Å; I146-F164 HydrophobicContact CG2-CD1 3.94Å; I146-F164 HydrophobicContact CG2-CE1 3.65Å |
| 147 | F | 97.9 | Very high | 88.7 | Confident | 31 Ų | 31 | 49.5 Ų | 49.5 | 14% | 0.136 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 109.3 | 179 | -53 | -90.9 | 0 | 0 | 0 | 108.7 | W77 E145 A162 L163 K165 V308 N312 | W77-F147 HydrophobicContact CH2-CD2 4.07Å; W77-F147 AromaticContact CH2-CE2 3.66Å; W77-F147 HydrophobicContact CH2-CE2 3.66Å; W77-F147 HydrophobicContact CH2-CZ 4.36Å; W77-F147 AromaticContact CZ3-CD2 3.77Å; W77-F147 HydrophobicContact CZ3-CD2 3.77Å; W77-F147 AromaticContact CZ3-CE2 3.81Å; W77-F147 HydrophobicContact CZ3-CE2 3.81Å; E145-F147 HydrophobicContact CB-CE2 3.84Å; E145-F147 HydrophobicContact CB-CZ 4Å; E145-F147 HydrophobicContact CG-CE1 4.12Å; E145-F147 HydrophobicContact CG-CE2 3.76Å; E145-F147 HydrophobicContact CG-CZ 3.48Å; E145-F147 VanDerWaalsContact CG-CZ 3.48Å; F147-A162 CarbonylContact O-C 3.57Å; F147-A162 WeakPolarHBondContact O-CA 3.49Å; F147-L163 HydrophobicContact CB-CB 4.36Å; F147-L163 PolarHBondContact N-O 2.75Å; F147-L163 PolarHBondContact O-N 2.81Å; F147-K165 HydrophobicContact CE2-CB 4.18Å; F147-V308 HydrophobicContact CB-CG1 3.87Å; F147-V308 HydrophobicContact CD1-CG1 3.96Å; F147-V308 HydrophobicContact CD2-CG1 3.95Å; F147-V308 HydrophobicContact CE2-CG1 4.5Å; F147-V308 HydrophobicContact CG-CG1 3.65Å; F147-N312 HydrophobicContact CE1-CB 4.33Å; F147-N312 HydrophobicContact CE2-CB 4.34Å; F147-N312 HydrophobicContact CZ-CB 3.73Å; F147-N312 VanDerWaalsContact CZ-CG 3.4Å |
| 148 | H | 97.1 | Very high | 89.9 | Confident | 59 Ų | 59 | 47.5 Ų | 47.5 | 27% | 0.273 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 158.2 | 166.6 | 59.1 | -83.2 | 0 | 0 | 0 | 109.4 | A82 L85 Y86 A162 | A82-H148 HydrophobicContact CB-CB 4.08Å; L85-H148 HydrophobicContact CD1-CB 4.27Å; Y86-H148 PolarHBondContact OH-CD2 3.09Å; Y86-H148 PolarHBondContact OH-CE1 2.89Å; Y86-H148 VanDerWaalsContact OH-CE1 3.29Å; Y86-H148 PolarHBondContact OH-NE2 2.91Å; H148-A162 HydrophobicContact CB-CB 4.14Å |
| 149 | H | 98.1 | Very high | 91.1 | Very high | 18 Ų | 18 | 48.6 Ų | 48.6 | 8% | 0.083 | 26% | 0.263 | C | S | . | . | trans | -60.7 | 132.7 | 178.5 | -166.5 | -84 | 0 | 0 | 0 | 110.5 | K151 Y152 Y159 I161 F301 W304 | H149-K151 PolarHBondContact ND1-N 3.37Å; H149-K151 VanDerWaalsContact ND1-N 3.19Å; H149-K151 PolarHBondContact O-N 3.46Å; H149-K151 VanDerWaalsContact O-N 3.09Å; H149-Y152 VanDerWaalsContact O-CB 3.24Å; H149-Y152 WeakPolarHBondContact O-CB 3.16Å; H149-Y152 PolarHBondContact O-N 2.87Å; H149-Y159 AromaticContact CE1-CD1 3.13Å; H149-Y159 WeakPolarHBondContact CE1-CD1 3.23Å; H149-Y159 AromaticContact CE1-CE1 3.54Å; H149-Y159 AromaticContact CE1-CG 3.99Å; H149-Y159 AromaticContact CG-CD1 3.86Å; H149-Y159 AromaticContact ND1-CD1 3.19Å; H149-Y159 WeakPolarHBondContact ND1-CD1 3.16Å; H149-Y159 AromaticContact ND1-CG 3.61Å; H149-Y159 AromaticContact NE2-CD1 3.75Å; H149-I161 HydrophobicContact CB-CG2 3.71Å; H149-I161 PolarHBondContact N-O 2.77Å; H149-F301 AromaticContact CD2-CD1 4Å; H149-W304 HydrophobicContact CB-CZ2 4.21Å; H149-W304 AromaticContact CD2-CD1 3.64Å; H149-W304 AromaticContact CD2-CD2 3.62Å; H149-W304 AromaticContact CD2-CE2 3.72Å; H149-W304 AromaticContact CD2-CG 3.59Å; H149-W304 AromaticContact CD2-NE1 3.71Å; H149-W304 AromaticContact NE2-CD1 3.86Å; H149-W304 AromaticContact NE2-CG 3.96Å | ||
| 150 | P | 96.9 | Very high | 92.2 | Very high | 105 Ų | 105 | 47.5 Ų | 47.5 | 68% | 0.682 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -16.2 | -173.2 | 25.5 | -36.2 | 0 | 0 | 0 | 114.5 | ||
| 151 | K | 96.7 | Very high | 92.9 | Very high | 128 Ų | 128 | 47.1 Ų | 47.1 | 56% | 0.557 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | 2.2 | 174.1 | -60.7 | -176 | 177 | -179.2 | 0 | 113.7 | H149 E153 Y159 | H149-K151 PolarHBondContact ND1-N 3.37Å; H149-K151 VanDerWaalsContact ND1-N 3.19Å; H149-K151 PolarHBondContact O-N 3.46Å; H149-K151 VanDerWaalsContact O-N 3.09Å; K151-E153 PolarHBondContact O-N 3.45Å; K151-Y159 HydrophobicContact CB-CD1 3.98Å; K151-Y159 HydrophobicContact CB-CD2 3.69Å; K151-Y159 HydrophobicContact CB-CE1 4.12Å; K151-Y159 HydrophobicContact CB-CE2 3.86Å; K151-Y159 HydrophobicContact CB-CG 3.77Å; K151-Y159 HydrophobicContact CD-CD1 4.35Å; K151-Y159 HydrophobicContact CD-CE1 3.67Å; K151-Y159 HydrophobicContact CD-CE2 3.95Å; K151-Y159 VanDerWaalsContact CD-CZ 3.45Å; K151-Y159 WeakPolarHBondContact CD-OH 3.39Å; K151-Y159 HydrophobicContact CG-CE1 4.47Å; K151-Y159 PolarHBondContact NZ-OH 3.18Å |
| 152 | Y | 95.2 | Very high | 93.3 | Very high | 17 Ų | 17 | 46.8 Ų | 46.8 | 7% | 0.067 | 25% | 0.253 | C | S | . | . | trans | -70.4 | 128.3 | 177.7 | -180 | -104.9 | 0 | 0 | 0 | 110.1 | A82 H83 Y86 H149 P154 N156 E158 Y159 D160 | A82-Y152 HydrophobicContact CB-CD1 3.56Å; A82-Y152 HydrophobicContact CB-CD2 3.75Å; A82-Y152 HydrophobicContact CB-CE1 3.79Å; A82-Y152 HydrophobicContact CB-CE2 3.97Å; A82-Y152 HydrophobicContact CB-CG 3.54Å; H83-Y152 VanDerWaalsContact CA-OH 3.26Å; H83-Y152 WeakPolarHBondContact CA-OH 3.29Å; H83-Y152 WeakPolarHBondContact CB-OH 3.2Å; Y86-Y152 HydrophobicContact CD2-CD1 4.25Å; Y86-Y152 AromaticContact CD2-CE1 3.58Å; Y86-Y152 HydrophobicContact CD2-CE1 3.58Å; Y86-Y152 AromaticContact CE2-CD1 3.76Å; Y86-Y152 HydrophobicContact CE2-CD1 3.76Å; Y86-Y152 AromaticContact CE2-CE1 3.58Å; Y86-Y152 HydrophobicContact CE2-CE1 3.58Å; Y86-Y152 HydrophobicContact CG-CE1 4.47Å; H149-Y152 VanDerWaalsContact O-CB 3.24Å; H149-Y152 WeakPolarHBondContact O-CB 3.16Å; H149-Y152 PolarHBondContact O-N 2.87Å; Y152-P154 HydrophobicContact CE1-CG 4.3Å; Y152-N156 WeakPolarHBondContact CE2-O 3.42Å; Y152-E158 WeakPolarHBondContact CD2-O 3.26Å; Y152-Y159 WeakPolarHBondContact CD2-O 3.25Å; Y152-D160 HydrophobicContact CD2-CB 4.28Å; Y152-D160 HydrophobicContact CE2-CB 3.91Å | ||
| 153 | E | 90.8 | Very high | 93.6 | Very high | 129 Ų | 129 | 44.4 Ų | 44.4 | 60% | 0.603 | 24% | 0.242 | S | C | * | . | trans | -114.6 | 125.2 | 174.2 | -69.7 | -180 | 174.5 | 0 | 0 | 109 | K151 G155 N156 | K151-E153 PolarHBondContact O-N 3.45Å; E153-G155 PolarHBondContact O-N 2.84Å; E153-N156 HydrophobicContact CB-CB 4.21Å; E153-N156 WeakPolarHBondContact O-CB 3.31Å; E153-N156 PolarHBondContact O-N 2.85Å | ||
| 154 | P | 86 | Confident | 93.8 | Very high | 46 Ų | 46 | 43.9 Ų | 43.9 | 30% | 0.299 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | 130.8 | -179.2 | -26 | 35.9 | 0 | 0 | 0 | 112.3 | Y86 I94 Y152 N156 | Y86-P154 HydrophobicContact CD1-CB 4.13Å; Y86-P154 HydrophobicContact CD1-CG 3.53Å; Y86-P154 HydrophobicContact CD2-CG 4.34Å; Y86-P154 HydrophobicContact CE1-CG 3.71Å; Y86-P154 HydrophobicContact CG-CB 4.1Å; Y86-P154 HydrophobicContact CG-CG 3.86Å; I94-P154 HydrophobicContact CD1-CB 3.94Å; I94-P154 HydrophobicContact CD1-CG 4.36Å; I94-P154 HydrophobicContact CG1-CB 4.3Å; I94-P154 HydrophobicContact CG2-CB 3.71Å; I94-P154 HydrophobicContact CG2-CG 3.88Å; Y152-P154 HydrophobicContact CE1-CG 4.3Å; P154-N156 VanDerWaalsContact C-N 3.33Å |
| 155 | G | 79.9 | Confident | 93.9 | Very high | 82 Ų | 82 | 40.9 Ų | 40.9 | 85% | 0.845 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 91.6 | -11.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | E153 | E153-G155 PolarHBondContact O-N 2.84Š|
| 156 | N | 82.9 | Confident | 93.8 | Very high | 65 Ų | 65 | 38 Ų | 38 | 35% | 0.348 | 21% | 0.212 | S | C | . | . | trans | -89.4 | 152.2 | 168 | -158.6 | -16.7 | 0 | 0 | 0 | 110.5 | Y152 E153 P154 E158 | Y152-N156 WeakPolarHBondContact CE2-O 3.42Å; E153-N156 HydrophobicContact CB-CB 4.21Å; E153-N156 WeakPolarHBondContact O-CB 3.31Å; E153-N156 PolarHBondContact O-N 2.85Å; P154-N156 VanDerWaalsContact C-N 3.33Å; N156-E158 WeakPolarHBondContact OD1-CB 3.45Å; N156-E158 WeakPolarHBondContact OD1-CG 3.48Å; N156-E158 PolarHBondContact OD1-N 3.5Å; N156-E158 VanDerWaalsContact OD1-N 3.07Å | ||
| 157 | L | 83.6 | Confident | 93.5 | Very high | 29 Ų | 29 | 43.9 Ų | 43.9 | 15% | 0.152 | 24% | 0.236 | C | C | . | . | trans | -88.1 | -24.5 | 172.6 | -56.5 | -178.1 | 0 | 0 | 0 | 111.2 | L25 D160 E245 A282 I294 | L25-L157 HydrophobicContact CD1-CD1 4.07Å; L25-L157 HydrophobicContact CD1-CD2 3.9Å; L25-L157 HydrophobicContact CD1-CG 4.31Å; L157-D160 WeakPolarHBondContact O-CB 3.27Å; L157-D160 PolarHBondContact O-N 2.73Å; L157-E245 WeakPolarHBondContact CA-OE1 3.45Å; L157-E245 WeakPolarHBondContact CB-OE1 3.47Å; L157-E245 VanDerWaalsContact O-OE1 3.04Å; L157-A282 HydrophobicContact CD1-CB 4.28Å; L157-A282 HydrophobicContact CD2-CB 3.49Å; L157-A282 VanDerWaalsContact CD2-CB 3.49Å; L157-I294 HydrophobicContact CD1-CD1 3.78Å; L157-I294 HydrophobicContact CD1-CG2 4.48Å | ||
| 158 | E | 91.8 | Very high | 93 | Very high | 20 Ų | 20 | 43.1 Ų | 43.1 | 9% | 0.093 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | 138 | 178.4 | -66.8 | -72 | 147.6 | 0 | 0 | 111.9 | Y152 N156 D160 T241 H244 E245 | Y152-E158 WeakPolarHBondContact CD2-O 3.26Å; N156-E158 WeakPolarHBondContact OD1-CB 3.45Å; N156-E158 WeakPolarHBondContact OD1-CG 3.48Å; N156-E158 PolarHBondContact OD1-N 3.5Å; N156-E158 VanDerWaalsContact OD1-N 3.07Å; E158-D160 PolarHBondContact O-N 2.89Å; E158-T241 VanDerWaalsContact CD-OG1 3.32Å; E158-T241 WeakPolarHBondContact OE1-CB 3.23Å; E158-T241 PolarHBondContact OE1-N 2.93Å; E158-T241 PolarHBondContact OE1-OG1 2.03Å; E158-H244 IonicContact OE2-CE1 3.6Å; E158-H244 IonicContact OE2-CG 2.74Å; E158-H244 IonicContact OE2-ND1 2.72Å; E158-H244 PolarHBondContact OE2-ND1 3.27Å; E158-E245 PolarHBondContact N-OE1 2.68Å |
| 159 | Y | 95.7 | Very high | 92.7 | Very high | 35 Ų | 35 | 43 Ų | 43 | 14% | 0.137 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 26.3 | 178.1 | -55 | -83.8 | 0 | 0 | 0 | 114.3 | H149 K151 Y152 I161 H244 F301 | H149-Y159 AromaticContact CE1-CD1 3.13Å; H149-Y159 WeakPolarHBondContact CE1-CD1 3.23Å; H149-Y159 AromaticContact CE1-CE1 3.54Å; H149-Y159 AromaticContact CE1-CG 3.99Å; H149-Y159 AromaticContact CG-CD1 3.86Å; H149-Y159 AromaticContact ND1-CD1 3.19Å; H149-Y159 WeakPolarHBondContact ND1-CD1 3.16Å; H149-Y159 AromaticContact ND1-CG 3.61Å; H149-Y159 AromaticContact NE2-CD1 3.75Å; K151-Y159 HydrophobicContact CB-CD1 3.98Å; K151-Y159 HydrophobicContact CB-CD2 3.69Å; K151-Y159 HydrophobicContact CB-CE1 4.12Å; K151-Y159 HydrophobicContact CB-CE2 3.86Å; K151-Y159 HydrophobicContact CB-CG 3.77Å; K151-Y159 HydrophobicContact CD-CD1 4.35Å; K151-Y159 HydrophobicContact CD-CE1 3.67Å; K151-Y159 HydrophobicContact CD-CE2 3.95Å; K151-Y159 VanDerWaalsContact CD-CZ 3.45Å; K151-Y159 WeakPolarHBondContact CD-OH 3.39Å; K151-Y159 HydrophobicContact CG-CE1 4.47Å; K151-Y159 PolarHBondContact NZ-OH 3.18Å; Y152-Y159 WeakPolarHBondContact CD2-O 3.25Å; Y159-I161 PolarHBondContact O-N 2.83Å; Y159-H244 AromaticContact CZ-CE1 3.64Å; Y159-H244 PolarHBondContact OH-CE1 3.13Å; Y159-F301 AromaticContact CD1-CE1 3.49Å; Y159-F301 HydrophobicContact CD1-CE1 3.49Å; Y159-F301 VanDerWaalsContact CD1-CE1 3.49Å; Y159-F301 AromaticContact CD1-CZ 3.9Å; Y159-F301 HydrophobicContact CD1-CZ 3.9Å; Y159-F301 AromaticContact CE1-CE1 3.96Å; Y159-F301 HydrophobicContact CE1-CE1 3.96Å; Y159-F301 HydrophobicContact CE1-CZ 4.4Å; Y159-F301 HydrophobicContact CG-CE1 4.46Å |
| 160 | D | 96.3 | Very high | 92.1 | Very high | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | trans | -72.6 | 65.9 | -178.1 | -175.3 | 24.9 | 0 | 0 | 0 | 113.6 | A82 H83 Y152 L157 E158 S281 T296 | A82-D160 WeakPolarHBondContact CA-OD1 3.18Å; A82-D160 PolarHBondContact N-OD1 3.25Å; H83-D160 IonicContact CE1-OD2 2.74Å; H83-D160 IonicContact CG-OD1 2.72Å; H83-D160 IonicContact CG-OD2 3.13Å; H83-D160 PolarHBondContact N-OD1 2.92Å; H83-D160 IonicContact ND1-OD1 2.98Å; H83-D160 PolarHBondContact ND1-OD1 3.37Å; H83-D160 IonicContact ND1-OD2 2.69Å; H83-D160 PolarHBondContact ND1-OD2 2.68Å; Y152-D160 HydrophobicContact CD2-CB 4.28Å; Y152-D160 HydrophobicContact CE2-CB 3.91Å; L157-D160 WeakPolarHBondContact O-CB 3.27Å; L157-D160 PolarHBondContact O-N 2.73Å; E158-D160 PolarHBondContact O-N 2.89Å; D160-S281 WeakPolarHBondContact OD2-CA 3.24Å; D160-S281 VanDerWaalsContact OD2-CB 3.23Å; D160-S281 WeakPolarHBondContact OD2-CB 3.4Å; D160-S281 PolarHBondContact OD2-OG 2.84Å; D160-T296 PolarHBondContact O-OG1 3.07Å; D160-T296 VanDerWaalsContact O-OG1 3.07Å | ||
| 161 | I | 98.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -140.7 | 137.2 | -176.5 | -175.3 | 173.7 | 0 | 0 | 0 | 111.4 | I79 H149 Y159 I279 T296 F301 W304 I305 | I79-I161 HydrophobicContact CD1-CD1 3.86Å; I79-I161 HydrophobicContact CD1-CG1 4.34Å; I79-I161 HydrophobicContact CG1-CD1 4.36Å; I79-I161 HydrophobicContact CG1-CG1 4.29Å; H149-I161 HydrophobicContact CB-CG2 3.71Å; H149-I161 PolarHBondContact N-O 2.77Å; Y159-I161 PolarHBondContact O-N 2.83Å; I161-I279 HydrophobicContact CB-CD1 4.11Å; I161-I279 HydrophobicContact CD1-CD1 3.78Å; I161-I279 HydrophobicContact CG1-CD1 3.57Å; I161-T296 HydrophobicContact CB-CG2 4.31Å; I161-F301 HydrophobicContact CD1-CB 3.82Å; I161-F301 HydrophobicContact CD1-CG 4.25Å; I161-F301 HydrophobicContact CG2-CD1 4.27Å; I161-F301 HydrophobicContact CG2-CG 4.23Å; I161-W304 HydrophobicContact CB-CZ3 4.39Å; I161-W304 HydrophobicContact CD1-CE3 4.02Å; I161-W304 HydrophobicContact CD1-CZ3 3.66Å; I161-W304 HydrophobicContact CG1-CE3 4.44Å; I161-W304 HydrophobicContact CG1-CH2 4.36Å; I161-W304 HydrophobicContact CG1-CZ3 3.67Å; I161-W304 HydrophobicContact CG2-CE3 4.2Å; I161-W304 HydrophobicContact CG2-CH2 4.31Å; I161-W304 HydrophobicContact CG2-CZ3 3.88Å; I161-I305 HydrophobicContact CD1-CD1 3.89Å; I161-I305 HydrophobicContact CD1-CG1 3.95Å | ||
| 162 | A | 98.4 | Very high | 91 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 154.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | I79 T80 A82 L85 F147 H148 | I79-A162 WeakPolarHBondContact CA-O 3.49Å; T80-A162 HydrophobicContact CG2-CB 4.07Å; T80-A162 PolarHBondContact N-O 3.49Å; T80-A162 PolarHBondContact O-N 2.97Å; T80-A162 VanDerWaalsContact O-O 3.14Å; A82-A162 HydrophobicContact CB-CB 4.4Å; L85-A162 HydrophobicContact CD1-CB 3.92Å; F147-A162 CarbonylContact O-C 3.57Å; F147-A162 WeakPolarHBondContact O-CA 3.49Å; H148-A162 HydrophobicContact CB-CB 4.14Å |
| 163 | L | 98.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 131.6 | 176.6 | -64.4 | 176.6 | 0 | 0 | 0 | 109.9 | I73 W77 I78 I79 F147 W304 I305 V308 I309 | I73-L163 HydrophobicContact CD1-CD2 3.76Å; W77-L163 HydrophobicContact CE3-CB 4.06Å; W77-L163 HydrophobicContact CE3-CD1 4.4Å; W77-L163 HydrophobicContact CZ3-CB 4.05Å; W77-L163 HydrophobicContact CZ3-CD1 4.37Å; I78-L163 CarbonylContact O-C 3.57Å; I78-L163 VanDerWaalsContact O-CA 3.28Å; I78-L163 WeakPolarHBondContact O-CA 3.28Å; I79-L163 HydrophobicContact CB-CD2 3.84Å; I79-L163 HydrophobicContact CD1-CD2 4.18Å; I79-L163 HydrophobicContact CG1-CD2 3.84Å; F147-L163 HydrophobicContact CB-CB 4.36Å; F147-L163 PolarHBondContact N-O 2.75Å; F147-L163 PolarHBondContact O-N 2.81Å; L163-W304 HydrophobicContact CD1-CH2 4.05Å; L163-W304 HydrophobicContact CD1-CZ3 3.93Å; L163-W304 HydrophobicContact CG-CH2 3.88Å; L163-W304 HydrophobicContact CG-CZ3 3.86Å; L163-I305 HydrophobicContact CD1-CG2 4.17Å; L163-I305 HydrophobicContact CD2-CG2 4.34Å; L163-V308 HydrophobicContact CD1-CB 3.91Å; L163-V308 HydrophobicContact CD1-CG1 3.78Å; L163-I309 HydrophobicContact CD1-CG1 4.5Å |
| 164 | F | 97.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 124 | 171.2 | -76.1 | 20.3 | 0 | 0 | 0 | 108.2 | I48 I78 T80 L85 W103 V105 V143 I146 | I48-F164 HydrophobicContact CD1-CD2 4.08Å; I48-F164 HydrophobicContact CD1-CE2 3.75Å; I48-F164 HydrophobicContact CD1-CZ 4.05Å; I48-F164 HydrophobicContact CG1-CD2 4.4Å; I48-F164 HydrophobicContact CG1-CE2 4.14Å; I48-F164 HydrophobicContact CG2-CE2 3.91Å; I48-F164 HydrophobicContact CG2-CZ 4.46Å; I78-F164 HydrophobicContact CB-CB 4.06Å; I78-F164 PolarHBondContact N-O 2.89Å; I78-F164 PolarHBondContact O-N 3.37Å; T80-F164 HydrophobicContact CG2-CD1 4.33Å; T80-F164 HydrophobicContact CG2-CE1 4.11Å; L85-F164 HydrophobicContact CD1-CE1 4.3Å; L85-F164 HydrophobicContact CD2-CE1 3.61Å; L85-F164 HydrophobicContact CD2-CZ 3.52Å; W103-F164 HydrophobicContact CB-CE2 3.86Å; W103-F164 HydrophobicContact CD2-CE2 4.15Å; W103-F164 HydrophobicContact CD2-CZ 4.17Å; W103-F164 AromaticContact CG-CE2 3.86Å; W103-F164 HydrophobicContact CG-CE2 3.86Å; W103-F164 HydrophobicContact CG-CZ 4.12Å; V105-F164 HydrophobicContact CG2-CD2 4.31Å; V143-F164 HydrophobicContact CB-CD2 4.48Å; V143-F164 HydrophobicContact CG1-CB 4.12Å; V143-F164 HydrophobicContact CG1-CD2 4.1Å; V143-F164 HydrophobicContact CG1-CG 4.12Å; V143-F164 HydrophobicContact CG2-CB 4.45Å; V143-F164 HydrophobicContact CG2-CD2 3.5Å; V143-F164 HydrophobicContact CG2-CE2 4.05Å; V143-F164 HydrophobicContact CG2-CG 4.28Å; I146-F164 HydrophobicContact CB-CD1 4.32Å; I146-F164 HydrophobicContact CB-CE1 4.31Å; I146-F164 HydrophobicContact CD1-CD1 4.4Å; I146-F164 HydrophobicContact CD1-CE1 3.9Å; I146-F164 HydrophobicContact CD1-CE2 4.42Å; I146-F164 HydrophobicContact CD1-CZ 3.9Å; I146-F164 HydrophobicContact CG1-CD1 3.83Å; I146-F164 HydrophobicContact CG1-CE1 3.8Å; I146-F164 HydrophobicContact CG1-CG 4.29Å; I146-F164 HydrophobicContact CG1-CZ 4.23Å; I146-F164 HydrophobicContact CG2-CD1 3.94Å; I146-F164 HydrophobicContact CG2-CE1 3.65Å |
| 165 | K | 96.7 | Very high | 89.9 | Confident | 7 Ų | 7 | 40.8 Ų | 40.8 | 3% | 0.03 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 123.2 | 168.5 | -171.5 | -177.4 | 178.3 | -162.5 | 0 | 109.1 | D76 W77 E144 E145 F147 N312 | D76-K165 WeakPolarHBondContact O-CA 3.35Å; W77-K165 HydrophobicContact CD2-CB 4.5Å; W77-K165 HydrophobicContact CD2-CG 4.5Å; W77-K165 HydrophobicContact CE3-CB 4.27Å; W77-K165 HydrophobicContact CH2-CB 3.97Å; W77-K165 HydrophobicContact CH2-CD 4.13Å; W77-K165 HydrophobicContact CH2-CG 4.19Å; W77-K165 HydrophobicContact CZ2-CB 4.19Å; W77-K165 HydrophobicContact CZ2-CD 3.81Å; W77-K165 HydrophobicContact CZ2-CG 3.91Å; W77-K165 HydrophobicContact CZ3-CB 4.01Å; E144-K165 PolarHBondContact N-O 2.9Å; E144-K165 IonicContact OE1-NZ 3.7Å; E144-K165 WeakPolarHBondContact OE2-CD 3.47Å; E144-K165 WeakPolarHBondContact OE2-CE 3.28Å; E144-K165 IonicContact OE2-NZ 3.03Å; E144-K165 PolarHBondContact OE2-NZ 2.75Å; E145-K165 HydrophobicContact CB-CB 4.38Å; E145-K165 PolarHBondContact N-O 3.49Å; E145-K165 PolarHBondContact O-N 2.85Å; F147-K165 HydrophobicContact CE2-CB 4.18Å; K165-N312 WeakPolarHBondContact CE-O 3.27Å; K165-N312 PolarHBondContact NZ-O 2.74Å |
| 166 | L | 94.6 | Very high | 90.1 | Very high | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 141.2 | 178.5 | -59.1 | -177.9 | 0 | 0 | 0 | 110.8 | D76 I78 V105 M107 Y141 H142 E168 | D76-L166 HydrophobicContact CB-CB 4.25Å; D76-L166 PolarHBondContact O-N 2.89Å; I78-L166 HydrophobicContact CD1-CD1 4.47Å; I78-L166 HydrophobicContact CG1-CD1 4.09Å; I78-L166 HydrophobicContact CG1-CD2 3.95Å; I78-L166 HydrophobicContact CG1-CG 4.06Å; V105-L166 HydrophobicContact CB-CD2 4.03Å; V105-L166 HydrophobicContact CG2-CD2 3.78Å; M107-L166 HydrophobicContact CE-CD1 3.93Å; Y141-L166 HydrophobicContact CD1-CD1 4.22Å; Y141-L166 HydrophobicContact CG-CD1 4.3Å; H142-L166 CarbonylContact O-C 3.57Å; H142-L166 WeakPolarHBondContact O-CA 3.18Å; L166-E168 VanDerWaalsContact C-N 3.29Å |
| 167 | K | 91.5 | Very high | 90.3 | Very high | 147 Ų | 147 | 43.8 Ų | 43.8 | 64% | 0.639 | 20% | 0.204 | S | C | * | . | S | Bend | trans | -67.2 | -34.6 | 172 | -176.2 | 177.9 | -179.1 | -179.9 | 0 | 111.5 | H142 E144 | H142-K167 HydrophobicContact CB-CB 4.23Å; H142-K167 PolarHBondContact O-N 2.02Å; E144-K167 HydrophobicContact CB-CB 4.32Å |
| 168 | E | 87.5 | Confident | 90.6 | Very high | 15 Ų | 15 | 43 Ų | 43 | 7% | 0.07 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -109.7 | 123.1 | 179.5 | -50.3 | 98.9 | 155.2 | 0 | 0 | 110.8 | Q138 Y141 H142 L166 P170 | Q138-E168 VanDerWaalsContact NE2-CG 3.34Å; Y141-E168 HydrophobicContact CD1-CB 4.17Å; H142-E168 IonicContact CE1-OE1 3.76Å; H142-E168 IonicContact CG-OE1 3.16Å; H142-E168 PolarHBondContact N-OE2 2.91Å; H142-E168 IonicContact ND1-OE1 2.68Å; H142-E168 PolarHBondContact ND1-OE1 3.07Å; H142-E168 IonicContact ND1-OE2 3.28Å; L166-E168 VanDerWaalsContact C-N 3.29Å; E168-P170 WeakPolarHBondContact O-CD 3.43Å |
| 169 | T | 89.4 | Confident | 90.7 | Very high | 56 Ų | 56 | 46.3 Ų | 46.3 | 34% | 0.344 | 22% | 0.218 | S | C | . | . | trans | -78.9 | 109.3 | 172.8 | -43.2 | 0 | 0 | 0 | 0 | 109.8 | P75 D76 | P75-T169 HydrophobicContact CB-CG2 3.72Å; D76-T169 HydrophobicContact CB-CG2 4.19Å | ||
| 170 | P | 85.4 | Confident | 90.7 | Very high | 8 Ų | 8 | 47.2 Ų | 47.2 | 5% | 0.052 | 23% | 0.225 | C | C | . | . | trans | -60.5 | 138.5 | 171.2 | 25 | -35.1 | 0 | 0 | 0 | 111.5 | P75 M107 Y141 E168 L172 I175 L178 | P75-P170 WeakPolarHBondContact O-CD 3.42Å; P75-P170 WeakPolarHBondContact O-CG 3.35Å; M107-P170 HydrophobicContact CE-CG 4.47Å; Y141-P170 HydrophobicContact CE1-CB 3.72Å; Y141-P170 HydrophobicContact CE1-CG 4.14Å; E168-P170 WeakPolarHBondContact O-CD 3.43Å; P170-L172 HydrophobicContact CG-CD2 4.38Å; P170-L172 PolarHBondContact O-N 3.15Å; P170-I175 HydrophobicContact CB-CD1 3.68Å; P170-L178 HydrophobicContact CB-CD2 4.1Å | ||
| 171 | V | 85.2 | Confident | 90.7 | Very high | 43 Ų | 43 | 47.4 Ų | 47.4 | 26% | 0.261 | 23% | 0.226 | S | C | . | . | trans | -88.3 | 91.7 | 171.1 | -175.2 | 0 | 0 | 0 | 0 | 107.8 | H134 W173 K174 | H134-V171 WeakPolarHBondContact O-CG2 3.49Å; V171-W173 HydrophobicContact CG1-CD2 4.06Å; V171-W173 VanDerWaalsContact CG1-CE2 3.48Å; V171-W173 HydrophobicContact CG1-CG 4.19Å; V171-W173 HydrophobicContact CG1-CZ2 4.02Å; V171-W173 PolarHBondContact O-N 2.94Å; V171-K174 HydrophobicContact CB-CB 4.41Å; V171-K174 HydrophobicContact CB-CD 4.29Å; V171-K174 HydrophobicContact CB-CG 4.37Å; V171-K174 HydrophobicContact CG1-CB 4.3Å; V171-K174 HydrophobicContact CG1-CD 3.92Å; V171-K174 HydrophobicContact CG1-CG 3.83Å; V171-K174 PolarHBondContact O-N 2.82Å | ||
| 172 | L | 86.2 | Confident | 90.7 | Very high | 36 Ų | 36 | 51.9 Ų | 51.9 | 19% | 0.188 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -50 | -49.5 | -168.9 | -59.9 | 178.8 | 0 | 0 | 0 | 113.3 | L72 P75 P170 K174 I175 L178 L180 | L72-L172 HydrophobicContact CD2-CD2 3.92Å; P75-L172 HydrophobicContact CG-CD1 4.15Å; P170-L172 HydrophobicContact CG-CD2 4.38Å; P170-L172 PolarHBondContact O-N 3.15Å; L172-K174 PolarHBondContact O-N 2.77Å; L172-I175 PolarHBondContact O-N 3Å; L172-L178 HydrophobicContact CD2-CD2 3.83Å; L172-L178 HydrophobicContact CD2-CG 3.96Å; L172-L180 HydrophobicContact CD1-CD1 3.93Å; L172-L180 HydrophobicContact CD1-CD2 3.8Å; L172-L180 HydrophobicContact CD1-CG 3.68Å; L172-L180 HydrophobicContact CD2-CD2 4.31Å |
| 173 | W | 84.3 | Confident | 90.6 | Very high | 207 Ų | 207 | 53.1 Ų | 53.1 | 78% | 0.784 | 25% | 0.253 | S | S | * | . | G | 310 helix | trans | -64.2 | -13.4 | -178.1 | 62 | -97.3 | 0 | 0 | 0 | 115.1 | V171 | V171-W173 HydrophobicContact CG1-CD2 4.06Å; V171-W173 VanDerWaalsContact CG1-CE2 3.48Å; V171-W173 HydrophobicContact CG1-CG 4.19Å; V171-W173 HydrophobicContact CG1-CZ2 4.02Å; V171-W173 PolarHBondContact O-N 2.94Å |
| 174 | K | 82.4 | Confident | 90.5 | Very high | 91 Ų | 91 | 53.2 Ų | 53.2 | 40% | 0.396 | 25% | 0.254 | S | S | . | . | G | 310 helix | trans | -93.7 | -7.8 | 173.7 | -66.5 | -172.6 | -179.1 | -178.8 | 0 | 113 | V135 V171 L172 | V135-K174 HydrophobicContact CG1-CD 4.3Å; V171-K174 HydrophobicContact CB-CB 4.41Å; V171-K174 HydrophobicContact CB-CD 4.29Å; V171-K174 HydrophobicContact CB-CG 4.37Å; V171-K174 HydrophobicContact CG1-CB 4.3Å; V171-K174 HydrophobicContact CG1-CD 3.92Å; V171-K174 HydrophobicContact CG1-CG 3.83Å; V171-K174 PolarHBondContact O-N 2.82Å; L172-K174 PolarHBondContact O-N 2.77Å |
| 175 | I | 81.4 | Confident | 90.1 | Very high | 12 Ų | 12 | 56.3 Ų | 56.3 | 6% | 0.062 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -114 | 106.4 | -173 | -59.1 | 168.6 | 0 | 0 | 0 | 108.4 | A108 L137 Y141 P170 L172 H177 L178 | A108-I175 HydrophobicContact CB-CG2 3.91Å; L137-I175 HydrophobicContact CB-CG1 4.47Å; L137-I175 HydrophobicContact CD1-CB 4.44Å; L137-I175 HydrophobicContact CD1-CD1 3.93Å; L137-I175 HydrophobicContact CD1-CG1 4.02Å; L137-I175 HydrophobicContact CD1-CG2 3.56Å; L137-I175 HydrophobicContact CD2-CG2 4.35Å; L137-I175 HydrophobicContact CG-CG2 4.44Å; Y141-I175 WeakPolarHBondContact OH-CD1 3.19Å; P170-I175 HydrophobicContact CB-CD1 3.68Å; L172-I175 PolarHBondContact O-N 3Å; I175-H177 PolarHBondContact O-N 2.86Å; I175-L178 HydrophobicContact CB-CB 4.01Å; I175-L178 HydrophobicContact CB-CD2 4.03Å; I175-L178 HydrophobicContact CD1-CD2 3.67Å; I175-L178 HydrophobicContact CG1-CD2 4.46Å; I175-L178 HydrophobicContact CG2-CB 3.55Å; I175-L178 HydrophobicContact CG2-CD2 3.82Å; I175-L178 HydrophobicContact CG2-CG 4.34Å; I175-L178 PolarHBondContact O-N 3.04Å |
| 176 | N | 83.4 | Confident | 89.5 | Confident | 121 Ų | 121 | 63 Ų | 63 | 65% | 0.647 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | 138.7 | 174.9 | -64.4 | -1.4 | 0 | 0 | 0 | 110.6 | L178 | N176-L178 VanDerWaalsContact C-N 3.3Å; N176-L178 PolarHBondContact O-N 3.42Å |
| 177 | H | 87.8 | Confident | 89.1 | Confident | 89 Ų | 89 | 71 Ų | 71 | 41% | 0.412 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64 | 29.8 | 176.7 | -46.4 | -70.2 | 0 | 0 | 0 | 114.3 | R39 P43 I175 | R39-H177 HydrophobicContact CG-CB 3.97Å; R39-H177 PolarHBondContact O-ND1 2.94Å; P43-H177 WeakPolarHBondContact CA-O 3.4Å; P43-H177 WeakPolarHBondContact CB-O 3.06Å; I175-H177 PolarHBondContact O-N 2.86Å |
| 178 | L | 90.3 | Very high | 88.6 | Confident | 12 Ų | 12 | 66.3 Ų | 66.3 | 6% | 0.063 | 32% | 0.317 | C | S | . | . | trans | -124.8 | 128.5 | 171.3 | -173.7 | 63.4 | 0 | 0 | 0 | 109.2 | P43 L72 M107 A108 P170 L172 I175 N176 | P43-L178 WeakPolarHBondContact O-CD1 3.49Å; L72-L178 HydrophobicContact CD2-CD1 3.72Å; L72-L178 HydrophobicContact CD2-CD2 4.34Å; L72-L178 HydrophobicContact CD2-CG 4.03Å; M107-L178 HydrophobicContact CB-CD1 3.84Å; M107-L178 HydrophobicContact SD-CD1 4.12Å; A108-L178 HydrophobicContact CB-CB 3.91Å; A108-L178 HydrophobicContact CB-CD1 4.2Å; P170-L178 HydrophobicContact CB-CD2 4.1Å; L172-L178 HydrophobicContact CD2-CD2 3.83Å; L172-L178 HydrophobicContact CD2-CG 3.96Å; I175-L178 HydrophobicContact CB-CB 4.01Å; I175-L178 HydrophobicContact CB-CD2 4.03Å; I175-L178 HydrophobicContact CD1-CD2 3.67Å; I175-L178 HydrophobicContact CG1-CD2 4.46Å; I175-L178 HydrophobicContact CG2-CB 3.55Å; I175-L178 HydrophobicContact CG2-CD2 3.82Å; I175-L178 HydrophobicContact CG2-CG 4.34Å; I175-L178 PolarHBondContact O-N 3.04Å; N176-L178 VanDerWaalsContact C-N 3.3Å; N176-L178 PolarHBondContact O-N 3.42Å | ||
| 179 | D | 93 | Very high | 88.3 | Confident | 91 Ų | 91 | 66.3 Ų | 66.3 | 49% | 0.487 | 32% | 0.321 | S | S | . | . | trans | -152.5 | 175.3 | 176.7 | -147.6 | -20.3 | 0 | 0 | 0 | 109.4 | P43 W44 | P43-D179 HydrophobicContact CB-CB 3.93Å; P43-D179 HydrophobicContact CG-CB 3.6Å; P43-D179 PolarHBondContact O-N 3.49Å; W44-D179 WeakPolarHBondContact CA-O 3.5Å; W44-D179 WeakPolarHBondContact CB-O 3.03Å; W44-D179 PolarHBondContact N-O 3.24Å | ||
| 180 | L | 96.5 | Very high | 88.1 | Confident | 53 Ų | 53 | 68.2 Ų | 68.2 | 28% | 0.277 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -94.7 | 147.1 | 179.3 | -52.8 | -179.1 | 0 | 0 | 0 | 110.8 | L72 L172 | L72-L180 HydrophobicContact CB-CD2 4.5Å; L72-L180 HydrophobicContact CD2-CD2 3.64Å; L72-L180 HydrophobicContact CG-CD2 3.58Å; L72-L180 WeakPolarHBondContact O-CA 3.44Å; L172-L180 HydrophobicContact CD1-CD1 3.93Å; L172-L180 HydrophobicContact CD1-CD2 3.8Å; L172-L180 HydrophobicContact CD1-CG 3.68Å; L172-L180 HydrophobicContact CD2-CD2 4.31Å |
| 181 | I | 97.4 | Very high | 88.3 | Confident | 6 Ų | 6 | 75 Ų | 75 | 3% | 0.031 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -88.8 | 138.2 | 161.1 | -172.1 | 59.2 | 0 | 0 | 0 | 109 | W44 A71 L72 I73 V267 Y274 L276 | W44-I181 HydrophobicContact CB-CB 3.9Å; W44-I181 HydrophobicContact CB-CG2 4.32Å; W44-I181 HydrophobicContact CD2-CB 4.1Å; W44-I181 HydrophobicContact CG-CB 3.57Å; W44-I181 HydrophobicContact CG-CG1 4.44Å; W44-I181 HydrophobicContact CG-CG2 4.35Å; A71-I181 HydrophobicContact CB-CG2 3.93Å; L72-I181 PolarHBondContact O-N 2.94Å; I73-I181 HydrophobicContact CG2-CG2 3.74Å; I181-V267 HydrophobicContact CD1-CG1 3.74Å; I181-V267 HydrophobicContact CG1-CG1 4.06Å; I181-Y274 WeakPolarHBondContact CD1-O 3.33Å; I181-L276 HydrophobicContact CG1-CB 3.78Å; I181-L276 HydrophobicContact CG2-CB 4.18Å; I181-L276 HydrophobicContact CG2-CD2 4.37Å |
| 182 | E | 96.7 | Very high | 88.7 | Confident | 94 Ų | 94 | 73.4 Ų | 73.4 | 44% | 0.439 | 35% | 0.346 | S | S | . | . | B | Isolated β-bridge | trans | -75.7 | 142.6 | 174.7 | -156.8 | -167.4 | 173.9 | 0 | 0 | 111 | K275 L276 | E182-K275 HydrophobicContact CB-CG 4.32Å; E182-K275 VanDerWaalsContact OE2-CE 3.24Å; E182-K275 WeakPolarHBondContact OE2-CE 3.34Å; E182-L276 PolarHBondContact O-N 2.68Å |
| 183 | L | 97.3 | Very high | 89.2 | Confident | 25 Ų | 25 | 71.8 Ų | 71.8 | 13% | 0.131 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -79.4 | 144.9 | 168.4 | -64.5 | 176.3 | 0 | 0 | 0 | 109.6 | I73 L276 V298 I305 | I73-L183 HydrophobicContact CB-CD2 4.45Å; I73-L183 HydrophobicContact CG2-CD2 3.97Å; L183-L276 HydrophobicContact CD2-CD2 4.31Å; L183-V298 HydrophobicContact CD2-CG1 4.02Å; L183-I305 HydrophobicContact CD1-CB 4.39Å; L183-I305 HydrophobicContact CD1-CG2 3.66Å; L183-I305 HydrophobicContact CD2-CD1 4.14Å |
| 184 | P | 95.7 | Very high | 89.7 | Confident | 3 Ų | 3 | 68 Ų | 68 | 2% | 0.019 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -64 | 158.2 | 176 | 26.3 | -34.6 | 0 | 0 | 0 | 112.6 | K186 W192 L276 V298 | P184-K186 PolarHBondContact O-N 3.24Å; P184-W192 HydrophobicContact CB-CE3 3.68Å; P184-W192 HydrophobicContact CB-CH2 4.28Å; P184-W192 HydrophobicContact CB-CZ3 3.45Å; P184-W192 VanDerWaalsContact CB-CZ3 3.45Å; P184-W192 HydrophobicContact CG-CE3 4.28Å; P184-W192 HydrophobicContact CG-CZ3 3.9Å; P184-L276 WeakPolarHBondContact CD-O 3.44Å; P184-L276 WeakPolarHBondContact CG-O 3.31Å; P184-V298 HydrophobicContact CG-CB 4.41Å; P184-V298 HydrophobicContact CG-CG1 4.12Å |
| 185 | D | 89.7 | Confident | 90.2 | Very high | 64 Ų | 64 | 66.6 Ų | 66.6 | 34% | 0.342 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -64.5 | 126.9 | 173.4 | -169.8 | -20 | 0 | 0 | 0 | 109.5 | K187 N188 | D185-K187 PolarHBondContact O-N 2.91Å; D185-K187 WeakPolarHBondContact OD1-CG 3.46Å; D185-K187 PolarHBondContact OD1-N 3.39Å; D185-N188 WeakPolarHBondContact O-CB 3.28Å; D185-N188 PolarHBondContact O-N 3.29Å |
| 186 | K | 83.6 | Confident | 90.9 | Very high | 148 Ų | 148 | 72 Ų | 72 | 64% | 0.643 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -52.3 | -26.6 | 173.5 | 67 | 176 | -176.9 | 177.8 | 0 | 113.3 | P184 N188 G189 T302 | P184-K186 PolarHBondContact O-N 3.24Å; K186-N188 PolarHBondContact O-N 3.13Å; K186-G189 PolarHBondContact O-N 3.44Å; K186-G189 VanDerWaalsContact O-N 3.15Å; K186-T302 HydrophobicContact CB-CG2 4.1Å |
| 187 | K | 86.4 | Confident | 91.5 | Very high | 170 Ų | 170 | 68.1 Ų | 68.1 | 74% | 0.739 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -64.9 | -27.6 | 177.8 | -67.9 | 176.9 | -171.1 | 164.7 | 0 | 112.5 | D185 G189 | D185-K187 PolarHBondContact O-N 2.91Å; D185-K187 WeakPolarHBondContact OD1-CG 3.46Å; D185-K187 PolarHBondContact OD1-N 3.39Å; K187-G189 VanDerWaalsContact C-N 3.26Å |
| 188 | N | 82.1 | Confident | 91.9 | Very high | 49 Ų | 49 | 69.9 Ų | 69.9 | 26% | 0.262 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -80.8 | -11.2 | 178.2 | -63.4 | -16.1 | 0 | 0 | 0 | 112.3 | D185 K186 E190 E191 W192 | D185-N188 WeakPolarHBondContact O-CB 3.28Å; D185-N188 PolarHBondContact O-N 3.29Å; K186-N188 PolarHBondContact O-N 3.13Å; N188-E190 PolarHBondContact O-N 3.48Å; N188-E191 PolarHBondContact O-N 2.93Å; N188-W192 HydrophobicContact CB-CB 3.64Å; N188-W192 HydrophobicContact CB-CG 4.4Å; N188-W192 PolarHBondContact O-N 2.95Å |
| 189 | G | 81.2 | Confident | 92.2 | Very high | 15 Ų | 15 | 69.4 Ų | 69.4 | 16% | 0.155 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 28.4 | -100 | 167.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | K186 K187 R297 S299 Y300 | K186-G189 PolarHBondContact O-N 3.44Å; K186-G189 VanDerWaalsContact O-N 3.15Å; K187-G189 VanDerWaalsContact C-N 3.26Å; G189-R297 WeakPolarHBondContact O-CD 3.32Å; G189-S299 CarbonylContact O-C 3.52Å; G189-S299 WeakPolarHBondContact O-CB 3.46Å; G189-S299 PolarHBondContact O-OG 3.05Å; G189-Y300 PolarHBondContact O-N 3.21Å; G189-Y300 VanDerWaalsContact O-N 3.16Å |
| 190 | E | 85.3 | Confident | 92.3 | Very high | 95 Ų | 95 | 65.7 Ų | 65.7 | 44% | 0.444 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -14 | -173.5 | -63.4 | 161.8 | -150.8 | 0 | 0 | 113.2 | N188 E243 R297 Y300 | N188-E190 PolarHBondContact O-N 3.48Å; E190-E243 HydrophobicContact CG-CB 3.82Å; E190-E243 HydrophobicContact CG-CG 3.97Å; E190-R297 PolarHBondContact O-NE 3.3Å; E190-R297 PolarHBondContact O-NH1 3.33Å; E190-Y300 HydrophobicContact CG-CD2 3.67Å; E190-Y300 HydrophobicContact CG-CE2 4.08Å |
| 191 | E | 88 | Confident | 92.2 | Very high | 150 Ų | 150 | 63.4 Ų | 63.4 | 70% | 0.701 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | -18.5 | -168.7 | -61.2 | -175.2 | -179.9 | 0 | 0 | 113.7 | N188 | N188-E191 PolarHBondContact O-N 2.93Š|
| 192 | W | 94.9 | Very high | 91.9 | Very high | 10 Ų | 10 | 63.3 Ų | 63.3 | 4% | 0.038 | 31% | 0.307 | C | S | . | . | trans | -114.3 | 140.8 | -176.8 | -171.6 | 94 | 0 | 0 | 0 | 112.2 | P184 N188 C268 D270 K275 A277 R297 S299 | P184-W192 HydrophobicContact CB-CE3 3.68Å; P184-W192 HydrophobicContact CB-CH2 4.28Å; P184-W192 HydrophobicContact CB-CZ3 3.45Å; P184-W192 VanDerWaalsContact CB-CZ3 3.45Å; P184-W192 HydrophobicContact CG-CE3 4.28Å; P184-W192 HydrophobicContact CG-CZ3 3.9Å; N188-W192 HydrophobicContact CB-CB 3.64Å; N188-W192 HydrophobicContact CB-CG 4.4Å; N188-W192 PolarHBondContact O-N 2.95Å; W192-C268 HydrophobicContact CH2-CB 4.14Å; W192-C268 HydrophobicContact CZ2-CB 3.73Å; W192-D270 HydrophobicContact CZ2-CB 3.95Å; W192-K275 HydrophobicContact CH2-CB 3.73Å; W192-K275 HydrophobicContact CZ2-CB 4.29Å; W192-A277 HydrophobicContact CE3-CB 4.32Å; W192-A277 HydrophobicContact CH2-CB 3.56Å; W192-A277 HydrophobicContact CZ2-CB 4.39Å; W192-A277 HydrophobicContact CZ3-CB 3.55Å; W192-R297 WeakPolarHBondContact O-CG 3.34Å; W192-R297 PolarHBondContact O-NH1 3.45Å; W192-S299 PolarHBondContact O-OG 3.24Å | ||
| 193 | P | 96.1 | Very high | 91.5 | Very high | 2 Ų | 2 | 58.9 Ų | 58.9 | 1% | 0.013 | 29% | 0.287 | C | S | . | . | S | Bend | cis | -71.7 | 156.1 | -2.7 | 34.9 | -38.5 | 0 | 0 | 0 | 112.3 | V224 F246 C268 A277 R297 | P193-V224 HydrophobicContact CB-CG2 3.93Å; P193-V224 HydrophobicContact CG-CG1 4.39Å; P193-V224 HydrophobicContact CG-CG2 3.72Å; P193-F246 HydrophobicContact CG-CD2 3.94Å; P193-F246 HydrophobicContact CG-CE1 4.18Å; P193-F246 HydrophobicContact CG-CE2 3.48Å; P193-F246 VanDerWaalsContact CG-CE2 3.48Å; P193-F246 HydrophobicContact CG-CG 4.45Å; P193-F246 HydrophobicContact CG-CZ 3.61Å; P193-C268 HydrophobicContact CB-CB 4.46Å; P193-A277 HydrophobicContact CB-CB 4.32Å; P193-A277 HydrophobicContact CG-CB 3.99Å; P193-R297 PolarHBondContact O-NH1 3.49Å |
| 194 | K | 94.2 | Very high | 90.7 | Very high | 129 Ų | 129 | 58.1 Ų | 58.1 | 56% | 0.561 | 28% | 0.282 | S | S | * | . | P | Polyproline II helix | trans | -83.1 | 151.1 | -176.2 | -67.9 | -178.1 | -180 | 178.4 | 0 | 111.4 | N196 Q197 V224 | K194-N196 PolarHBondContact O-N 3.47Å; K194-Q197 WeakPolarHBondContact O-CB 3.4Å; K194-Q197 PolarHBondContact O-N 3.49Å; K194-Q197 VanDerWaalsContact O-N 3.07Å; K194-V224 WeakPolarHBondContact O-CB 3.42Å; K194-V224 WeakPolarHBondContact O-CG1 3.39Å |
| 195 | P | 94.3 | Very high | 89.1 | Confident | 61 Ų | 61 | 58 Ų | 58 | 40% | 0.396 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | 142.7 | 170.4 | -26.4 | 34.8 | 0 | 0 | 0 | 112.7 | Q197 Q226 | P195-Q197 PolarHBondContact O-N 2.95Å; P195-Q226 HydrophobicContact CB-CG 3.66Å; P195-Q226 HydrophobicContact CG-CG 3.76Å |
| 196 | N | 95.1 | Very high | 87.3 | Confident | 125 Ų | 125 | 55.6 Ų | 55.6 | 67% | 0.668 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.8 | -3.1 | -174.2 | -50.3 | -57.7 | 0 | 0 | 0 | 115.9 | K194 K198 V224 | K194-N196 PolarHBondContact O-N 3.47Å; N196-K198 PolarHBondContact O-N 3.05Å; N196-V224 WeakPolarHBondContact CA-O 3.24Å; N196-V224 PolarHBondContact N-O 3.24Å |
| 197 | Q | 96.2 | Very high | 85.8 | Confident | 39 Ų | 39 | 51.2 Ų | 51.2 | 18% | 0.182 | 26% | 0.258 | C | S | . | . | trans | -63.5 | 133.7 | 171.2 | -170.7 | 172.5 | -8.8 | 0 | 0 | 109.4 | K194 P195 P223 V224 C268 E269 | K194-Q197 WeakPolarHBondContact O-CB 3.4Å; K194-Q197 PolarHBondContact O-N 3.49Å; K194-Q197 VanDerWaalsContact O-N 3.07Å; P195-Q197 PolarHBondContact O-N 2.95Å; Q197-P223 WeakPolarHBondContact O-CA 3.26Å; Q197-V224 HydrophobicContact CB-CG2 4.45Å; Q197-V224 WeakPolarHBondContact O-CG2 3.27Å; Q197-V224 PolarHBondContact O-N 2.97Å; Q197-C268 HydrophobicContact CG-CB 4.46Å; Q197-E269 PolarHBondContact NE2-O 3.26Å | ||
| 198 | K | 96 | Very high | 83.7 | Confident | 127 Ų | 127 | 49 Ų | 49 | 55% | 0.552 | 25% | 0.248 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 130.8 | 176 | -70.1 | 173.6 | 164.4 | -141.5 | 0 | 109.3 | N196 E221 | N196-K198 PolarHBondContact O-N 3.05Å; K198-E221 HydrophobicContact CB-CG 4.17Å; K198-E221 VanDerWaalsContact CD-OE1 3.27Å; K198-E221 WeakPolarHBondContact CD-OE1 3.41Å; K198-E221 VanDerWaalsContact CE-OE1 3.26Å; K198-E221 WeakPolarHBondContact CE-OE1 3.42Å; K198-E221 HydrophobicContact CG-CG 4.47Å; K198-E221 IonicContact NZ-OE1 2.72Å; K198-E221 PolarHBondContact NZ-OE1 3.26Å |
| 199 | C | 97.3 | Very high | 82 | Confident | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.007 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 160.7 | -179.1 | -56.4 | 0 | 0 | 0 | 0 | 109.5 | E221 L222 V224 L266 V267 C268 | C199-E221 CarbonylContact O-C 3.56Å; C199-E221 VanDerWaalsContact O-CA 3.31Å; C199-E221 WeakPolarHBondContact O-CA 3.23Å; C199-L222 PolarHBondContact N-O 3.16Å; C199-L222 PolarHBondContact O-N 3.37Å; C199-V224 VanDerWaalsContact SG-CG2 3.59Å; C199-L266 HydrophobicContact CB-CD1 3.87Å; C199-L266 HydrophobicContact CB-CD2 3.96Å; C199-L266 HydrophobicContact CB-CG 3.79Å; C199-V267 CarbonylContact C-O 3.59Å; C199-V267 WeakPolarHBondContact CA-O 3.21Å; C199-V267 VanDerWaalsContact CB-O 3.3Å; C199-V267 WeakPolarHBondContact CB-O 3.38Å; C199-C268 HydrophobicContact CB-CB 4.04Å; C199-C268 WeakPolarHBondContact CB-SG 3.37Å; C199-C268 WeakPolarHBondContact SG-CB 3.24Å; C199-C268 CovalentContact SG-SG 2.02Å; C199-C268 PolarHBondContact SG-SG 3.47Å |
| 200 | V | 95.3 | Very high | 80.3 | Confident | 13 Ų | 13 | 53.8 Ų | 53.8 | 8% | 0.079 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 118.5 | -177.9 | -173.1 | 0 | 0 | 0 | 0 | 109.5 | Y42 V202 A219 V220 L266 V267 Y274 | Y42-V200 HydrophobicContact CE1-CG1 4.44Å; V200-V202 HydrophobicContact CG1-CG2 3.93Å; V200-A219 HydrophobicContact CG1-CB 3.82Å; V200-V220 WeakPolarHBondContact CA-O 3.43Å; V200-L266 WeakPolarHBondContact O-CA 3.36Å; V200-V267 HydrophobicContact CB-CG2 4.08Å; V200-V267 PolarHBondContact N-O 2.97Å; V200-V267 PolarHBondContact O-N 2.78Å; V200-Y274 HydrophobicContact CG2-CE1 4.41Å |
| 201 | A | 94 | Very high | 78.4 | Confident | 6 Ų | 6 | 51.7 Ų | 51.7 | 5% | 0.05 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 134.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | A219 V220 L222 V257 L266 | A201-A219 VanDerWaalsContact O-CA 3.29Å; A201-A219 WeakPolarHBondContact O-CA 3.39Å; A201-V220 HydrophobicContact CB-CG1 3.92Å; A201-V220 PolarHBondContact N-O 2.94Å; A201-V220 PolarHBondContact O-N 3.3Å; A201-L222 HydrophobicContact CB-CD1 3.84Å; A201-V257 HydrophobicContact CB-CG1 3.84Å; A201-L266 HydrophobicContact CB-CD1 3.75Å |
| 202 | V | 91.6 | Very high | 76.6 | Confident | 3 Ų | 3 | 48.7 Ų | 48.7 | 2% | 0.018 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 132.4 | -175.7 | -179.9 | 0 | 0 | 0 | 0 | 109.9 | Y42 W44 A45 V200 I217 Q218 A219 P265 | Y42-V202 HydrophobicContact CD1-CG2 3.89Å; Y42-V202 HydrophobicContact CD2-CB 4.34Å; Y42-V202 HydrophobicContact CD2-CG1 3.7Å; Y42-V202 HydrophobicContact CD2-CG2 3.61Å; Y42-V202 HydrophobicContact CE1-CG2 4.02Å; Y42-V202 HydrophobicContact CE2-CG2 3.78Å; Y42-V202 HydrophobicContact CG-CB 4.41Å; Y42-V202 HydrophobicContact CG-CG1 3.89Å; Y42-V202 HydrophobicContact CG-CG2 3.69Å; W44-V202 HydrophobicContact CH2-CB 3.66Å; W44-V202 HydrophobicContact CH2-CG1 4.01Å; W44-V202 HydrophobicContact CH2-CG2 3.61Å; W44-V202 HydrophobicContact CZ2-CG2 4.44Å; W44-V202 HydrophobicContact CZ3-CB 3.99Å; W44-V202 HydrophobicContact CZ3-CG1 4.05Å; W44-V202 HydrophobicContact CZ3-CG2 4.43Å; A45-V202 HydrophobicContact CB-CG1 4.14Å; V200-V202 HydrophobicContact CG1-CG2 3.93Å; V202-I217 HydrophobicContact CG1-CD1 3.42Å; V202-I217 VanDerWaalsContact CG1-CD1 3.42Å; V202-I217 HydrophobicContact CG1-CG1 3.72Å; V202-Q218 WeakPolarHBondContact CA-O 3.19Å; V202-A219 HydrophobicContact CG2-CB 4.23Å; V202-P265 PolarHBondContact N-O 2.72Å; V202-P265 VanDerWaalsContact N-O 3.09Å; V202-P265 WeakPolarHBondContact O-CD 3.01Å |
| 203 | G | 86.9 | Confident | 74.7 | Confident | 2 Ų | 2 | 50.6 Ų | 50.6 | 2% | 0.021 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.3 | 174.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q218 | G203-Q218 PolarHBondContact N-O 3.07Å; G203-Q218 VanDerWaalsContact N-O 3.1Å; G203-Q218 PolarHBondContact O-N 2.78Å |
| 204 | W | 81.3 | Confident | 72.7 | Confident | 8 Ų | 8 | 51.1 Ų | 51.1 | 3% | 0.03 | 29% | 0.287 | C | S | . | . | trans | -110.5 | 22.8 | 168.5 | -65 | -97.4 | 0 | 0 | 0 | 111.5 | A45 A46 T109 E110 L112 C206 T214 I217 | A45-W204 HydrophobicContact CB-CH2 3.45Å; A45-W204 VanDerWaalsContact CB-CH2 3.45Å; A45-W204 HydrophobicContact CB-CZ3 3.76Å; A46-W204 WeakPolarHBondContact O-CZ3 3.15Å; T109-W204 WeakPolarHBondContact O-CZ2 3.09Å; E110-W204 PolarHBondContact O-NE1 3.11Å; L112-W204 HydrophobicContact CD1-CB 3.57Å; L112-W204 HydrophobicContact CD1-CG 4.12Å; L112-W204 HydrophobicContact CD2-CB 3.67Å; L112-W204 HydrophobicContact CD2-CD2 3.96Å; L112-W204 HydrophobicContact CD2-CG 3.49Å; L112-W204 VanDerWaalsContact CD2-CG 3.49Å; L112-W204 HydrophobicContact CG-CB 3.72Å; L112-W204 HydrophobicContact CG-CG 3.7Å; W204-C206 PolarHBondContact O-N 2.88Å; W204-T214 PolarHBondContact O-N 3.12Å; W204-T214 PolarHBondContact O-OG1 2.8Å; W204-I217 HydrophobicContact CD2-CB 4.35Å; W204-I217 HydrophobicContact CD2-CG1 4.3Å; W204-I217 HydrophobicContact CH2-CD1 3.67Å; W204-I217 HydrophobicContact CH2-CG1 4.26Å; W204-I217 HydrophobicContact CZ2-CB 3.87Å; W204-I217 HydrophobicContact CZ2-CD1 3.63Å; W204-I217 HydrophobicContact CZ2-CG1 3.93Å; W204-I217 HydrophobicContact CZ3-CD1 4.25Å | ||
| 205 | G | 61.8 | Low | 71.2 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 29% | 0.291 | C | S | . | . | trans | -43.4 | 143.6 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | T214 D261 | G205-T214 VanDerWaalsContact O-CG2 3.3Å; G205-T214 WeakPolarHBondContact O-CG2 3.4Å; G205-T214 PolarHBondContact O-N 3.04Å; G205-T214 PolarHBondContact O-OG1 2.63Å; G205-D261 WeakPolarHBondContact CA-OD1 3.11Å; G205-D261 PolarHBondContact N-OD1 2.94Å | ||
| 206 | C | 52.6 | Low | 70.2 | Confident | 15 Ų | 15 | 53 Ų | 53 | 10% | 0.101 | 29% | 0.294 | C | S | . | . | B | Isolated β-bridge | trans | -61.9 | 153.1 | -177.8 | -44 | 0 | 0 | 0 | 0 | 108.1 | R30 I31 W204 P212 P213 | R30-C206 CarbonylContact C-O 3.58Å; R30-C206 WeakPolarHBondContact CA-O 3.17Å; R30-C206 VanDerWaalsContact CB-C 3.42Å; R30-C206 HydrophobicContact CB-CB 3.98Å; R30-C206 WeakPolarHBondContact CB-O 3.43Å; R30-C206 HydrophobicContact CG-CB 3.35Å; I31-C206 WeakPolarHBondContact CA-O 3.36Å; I31-C206 WeakPolarHBondContact CB-O 3.44Å; I31-C206 PolarHBondContact N-O 3.35Å; W204-C206 PolarHBondContact O-N 2.88Å; C206-P212 WeakPolarHBondContact CA-O 3.3Å; C206-P212 VanDerWaalsContact CB-C 3.48Å; C206-P212 WeakPolarHBondContact CB-O 3.25Å; C206-P213 WeakPolarHBondContact SG-CA 3.46Å; C206-P213 VanDerWaalsContact SG-CG 3.6Å; C206-P213 VanDerWaalsContact SG-N 3.38Å |
| 207 | S | 51.1 | Low | 69.6 | Low | 56 Ų | 56 | 47.4 Ų | 47.4 | 39% | 0.392 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -98.4 | 2 | -161.8 | 47.6 | 0 | 0 | 0 | 0 | 124.2 | T214 | S207-T214 VanDerWaalsContact CB-CG2 3.46Š|
| 208 | F | 43.2 | Very low | 69.1 | Low | 124 Ų | 124 | 46.7 Ų | 46.7 | 54% | 0.544 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -176 | 163.6 | 178.6 | 57.8 | -87 | 0 | 0 | 0 | 110.1 | R30 D210 | R30-F208 WeakPolarHBondContact CB-O 3.27Å; R30-F208 WeakPolarHBondContact CD-O 3.43Å; R30-F208 WeakPolarHBondContact CG-O 3.49Å; R30-F208 VanDerWaalsContact CZ-O 3.23Å; R30-F208 PolarHBondContact NE-O 3.01Å; R30-F208 VanDerWaalsContact NE-O 3.15Å; R30-F208 PolarHBondContact NH1-O 3.19Å; R30-F208 PolarHBondContact O-N 3Å; F208-D210 PolarHBondContact O-N 3.06Å |
| 209 | V | 45.1 | Very low | 68.8 | Low | 88 Ų | 88 | 41.2 Ų | 41.2 | 53% | 0.533 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -30.3 | 108.4 | 177.5 | -175.2 | 0 | 0 | 0 | 0 | 114.9 | K29 R30 | K29-V209 HydrophobicContact CD-CG1 4.1Å; K29-V209 HydrophobicContact CD-CG2 4.39Å; R30-V209 PolarHBondContact NH1-O 3.24Å |
| 210 | D | 46.4 | Very low | 68.4 | Low | 76 Ų | 76 | 41.5 Ų | 41.5 | 41% | 0.406 | 24% | 0.241 | S | C | . | . | S | Bend | trans | 55.7 | 118.7 | 165.7 | -50.5 | -45.3 | 0 | 0 | 0 | 119.9 | K29 R30 F208 | K29-D210 VanDerWaalsContact CE-OD2 3.23Å; K29-D210 WeakPolarHBondContact CE-OD2 3.33Å; K29-D210 WeakPolarHBondContact CG-OD1 3.33Å; R30-D210 VanDerWaalsContact NE-C 3.32Å; R30-D210 PolarHBondContact NH1-O 3.37Å; F208-D210 PolarHBondContact O-N 3.06Å |
| 211 | G | 45.3 | Very low | 68.3 | Low | 51 Ų | 51 | 44.9 Ų | 44.9 | 53% | 0.526 | 26% | 0.256 | S | S | . | . | S | Bend | trans | 136.5 | -147.5 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | R30 | R30-G211 PolarHBondContact NE-O 2.67Š|
| 212 | P | 50.4 | Low | 68.3 | Low | 86 Ų | 86 | 44.6 Ų | 44.6 | 56% | 0.558 | 25% | 0.254 | S | S | * | . | P | Polyproline II helix | trans | -83.5 | 153.2 | -162.7 | 31.3 | -39 | 0 | 0 | 0 | 118.5 | R30 C206 | R30-P212 VanDerWaalsContact CZ-N 3.34Å; R30-P212 PolarHBondContact NH2-O 3.03Å; C206-P212 WeakPolarHBondContact CA-O 3.3Å; C206-P212 VanDerWaalsContact CB-C 3.48Å; C206-P212 WeakPolarHBondContact CB-O 3.25Å |
| 213 | P | 53.6 | Low | 68.5 | Low | 50 Ų | 50 | 45.5 Ų | 45.5 | 33% | 0.325 | 26% | 0.26 | S | S | . | . | B | Isolated β-bridge | trans | -49.5 | 150.8 | 162.7 | -27.4 | 34.4 | 0 | 0 | 0 | 113.9 | H66 L112 C206 | H66-P213 HydrophobicContact CB-CG 4.36Å; L112-P213 HydrophobicContact CD1-CB 3.4Å; L112-P213 HydrophobicContact CD1-CG 4.41Å; C206-P213 WeakPolarHBondContact SG-CA 3.46Å; C206-P213 VanDerWaalsContact SG-CG 3.6Å; C206-P213 VanDerWaalsContact SG-N 3.38Å |
| 214 | T | 55.9 | Low | 68.9 | Low | 13 Ų | 13 | 45.5 Ų | 45.5 | 8% | 0.08 | 26% | 0.259 | C | S | . | . | P | Polyproline II helix | trans | -75.2 | 140.3 | 176.3 | 47.4 | 0 | 0 | 0 | 0 | 111.4 | L112 W204 G205 S207 K216 Q218 | L112-T214 WeakPolarHBondContact CD1-O 3.35Å; W204-T214 PolarHBondContact O-N 3.12Å; W204-T214 PolarHBondContact O-OG1 2.8Å; G205-T214 VanDerWaalsContact O-CG2 3.3Å; G205-T214 WeakPolarHBondContact O-CG2 3.4Å; G205-T214 PolarHBondContact O-N 3.04Å; G205-T214 PolarHBondContact O-OG1 2.63Å; S207-T214 VanDerWaalsContact CB-CG2 3.46Å; T214-K216 WeakPolarHBondContact CB-O 3.38Å; T214-K216 PolarHBondContact O-N 2.72Å; T214-K216 PolarHBondContact OG1-O 2.78Å; T214-K216 VanDerWaalsContact OG1-O 3.06Å; T214-Q218 HydrophobicContact CG2-CG 4.1Å |
| 215 | L | 62.9 | Low | 69.6 | Low | 123 Ų | 123 | 46.5 Ų | 46.5 | 64% | 0.644 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -75 | -7 | 175.2 | -67.6 | 178.8 | 0 | 0 | 0 | 113.2 | E110 K111 | E110-L215 CarbonylContact C-O 3.15Å; K111-L215 VanDerWaalsContact CA-O 3.3Å; K111-L215 WeakPolarHBondContact CA-O 3.17Å |
| 216 | K | 72.6 | Confident | 71 | Confident | 106 Ų | 106 | 51.7 Ų | 51.7 | 46% | 0.461 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -133.8 | 140.1 | 179.1 | -68.2 | -172.4 | 176.1 | -172.6 | 0 | 108.7 | E110 T214 Q218 | E110-K216 WeakPolarHBondContact O-CA 3.35Å; T214-K216 WeakPolarHBondContact CB-O 3.38Å; T214-K216 PolarHBondContact O-N 2.72Å; T214-K216 PolarHBondContact OG1-O 2.78Å; T214-K216 VanDerWaalsContact OG1-O 3.06Å; K216-Q218 PolarHBondContact O-N 3.28Å; K216-Q218 PolarHBondContact O-NE2 3.01Å |
| 217 | I | 81.9 | Confident | 72.7 | Confident | 9 Ų | 9 | 51.4 Ų | 51.4 | 5% | 0.046 | 29% | 0.287 | C | S | . | . | trans | -55.9 | 136.4 | 173.9 | -169.2 | 172.4 | 0 | 0 | 0 | 110.7 | V37 A45 V202 W204 | V37-I217 HydrophobicContact CG2-CG2 3.58Å; V37-I217 PolarHBondContact N-O 2.83Å; A45-I217 HydrophobicContact CB-CD1 3.57Å; V202-I217 HydrophobicContact CG1-CD1 3.42Å; V202-I217 VanDerWaalsContact CG1-CD1 3.42Å; V202-I217 HydrophobicContact CG1-CG1 3.72Å; W204-I217 HydrophobicContact CD2-CB 4.35Å; W204-I217 HydrophobicContact CD2-CG1 4.3Å; W204-I217 HydrophobicContact CH2-CD1 3.67Å; W204-I217 HydrophobicContact CH2-CG1 4.26Å; W204-I217 HydrophobicContact CZ2-CB 3.87Å; W204-I217 HydrophobicContact CZ2-CD1 3.63Å; W204-I217 HydrophobicContact CZ2-CG1 3.93Å; W204-I217 HydrophobicContact CZ3-CD1 4.25Å | ||
| 218 | Q | 85.9 | Confident | 74.5 | Confident | 23 Ų | 23 | 55.9 Ų | 55.9 | 11% | 0.107 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 153.7 | 177 | -55.5 | -58.5 | -64.7 | 0 | 0 | 110.1 | I31 Q35 S36 V202 G203 T214 K216 | I31-Q218 HydrophobicContact CG2-CB 3.86Å; I31-Q218 HydrophobicContact CG2-CG 3.76Å; Q35-Q218 WeakPolarHBondContact O-CA 3.24Å; S36-Q218 PolarHBondContact OG-NE2 3.26Å; S36-Q218 PolarHBondContact OG-OE1 2.65Å; V202-Q218 WeakPolarHBondContact CA-O 3.19Å; G203-Q218 PolarHBondContact N-O 3.07Å; G203-Q218 VanDerWaalsContact N-O 3.1Å; G203-Q218 PolarHBondContact O-N 2.78Å; T214-Q218 HydrophobicContact CG2-CG 4.1Å; K216-Q218 PolarHBondContact O-N 3.28Å; K216-Q218 PolarHBondContact O-NE2 3.01Å |
| 219 | A | 89.4 | Confident | 76.7 | Confident | 12 Ų | 12 | 52.7 Ų | 52.7 | 10% | 0.099 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 143.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | G34 Q35 V37 Y42 V200 A201 V202 | G34-A219 CarbonylContact C-O 3.52Å; G34-A219 WeakPolarHBondContact CA-O 3.46Å; Q35-A219 PolarHBondContact N-O 3.49Å; Q35-A219 PolarHBondContact O-N 3.25Å; V37-A219 HydrophobicContact CG1-CB 3.91Å; Y42-A219 HydrophobicContact CD2-CB 4.38Å; Y42-A219 HydrophobicContact CE2-CB 3.5Å; V200-A219 HydrophobicContact CG1-CB 3.82Å; A201-A219 VanDerWaalsContact O-CA 3.29Å; A201-A219 WeakPolarHBondContact O-CA 3.39Å; V202-A219 HydrophobicContact CG2-CB 4.23Å |
| 220 | V | 89.6 | Confident | 78.8 | Confident | 8 Ų | 8 | 48.5 Ų | 48.5 | 5% | 0.048 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 129.2 | 175.7 | 62.6 | 0 | 0 | 0 | 0 | 110 | V200 A201 L222 K255 | V200-V220 WeakPolarHBondContact CA-O 3.43Å; A201-V220 HydrophobicContact CB-CG1 3.92Å; A201-V220 PolarHBondContact N-O 2.94Å; A201-V220 PolarHBondContact O-N 3.3Å; V220-L222 HydrophobicContact CG1-CD1 4.25Å; V220-L222 HydrophobicContact CG1-CD2 4.15Å; V220-L222 HydrophobicContact CG1-CG 4.12Å; V220-L222 HydrophobicContact CG2-CD2 3.94Å; V220-K255 HydrophobicContact CG2-CB 4.43Å |
| 221 | E | 92.4 | Very high | 80.7 | Confident | 83 Ų | 83 | 46.8 Ų | 46.8 | 39% | 0.388 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 130.1 | 172.2 | -175.8 | -178.4 | 106.6 | 0 | 0 | 109.5 | K198 C199 Y250 | K198-E221 HydrophobicContact CB-CG 4.17Å; K198-E221 VanDerWaalsContact CD-OE1 3.27Å; K198-E221 WeakPolarHBondContact CD-OE1 3.41Å; K198-E221 VanDerWaalsContact CE-OE1 3.26Å; K198-E221 WeakPolarHBondContact CE-OE1 3.42Å; K198-E221 HydrophobicContact CG-CG 4.47Å; K198-E221 IonicContact NZ-OE1 2.72Å; K198-E221 PolarHBondContact NZ-OE1 3.26Å; C199-E221 CarbonylContact O-C 3.56Å; C199-E221 VanDerWaalsContact O-CA 3.31Å; C199-E221 WeakPolarHBondContact O-CA 3.23Å; E221-Y250 WeakPolarHBondContact O-CE2 3.45Å |
| 222 | L | 94.3 | Very high | 82.7 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 131.1 | -178 | -58.1 | 177.2 | 0 | 0 | 0 | 109.4 | C199 A201 V220 A248 Y250 V257 L266 F295 | C199-L222 PolarHBondContact N-O 3.16Å; C199-L222 PolarHBondContact O-N 3.37Å; A201-L222 HydrophobicContact CB-CD1 3.84Å; V220-L222 HydrophobicContact CG1-CD1 4.25Å; V220-L222 HydrophobicContact CG1-CD2 4.15Å; V220-L222 HydrophobicContact CG1-CG 4.12Å; V220-L222 HydrophobicContact CG2-CD2 3.94Å; L222-A248 HydrophobicContact CB-CB 4.04Å; L222-Y250 HydrophobicContact CD2-CD2 4.29Å; L222-Y250 HydrophobicContact CD2-CE2 4.37Å; L222-V257 HydrophobicContact CD1-CG1 3.93Å; L222-L266 HydrophobicContact CD1-CD1 4.29Å; L222-F295 HydrophobicContact CD1-CZ 4.03Å |
| 223 | P | 95.7 | Very high | 84.4 | Confident | 22 Ų | 22 | 46.4 Ų | 46.4 | 14% | 0.143 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 139.4 | 171.7 | 31.9 | -33.4 | 0 | 0 | 0 | 110.3 | Q197 A248 G249 Y250 | Q197-P223 WeakPolarHBondContact O-CA 3.26Å; P223-A248 CarbonylContact O-C 3.58Å; P223-A248 WeakPolarHBondContact O-CA 3.48Å; P223-G249 PolarHBondContact O-N 3.1Å; P223-Y250 HydrophobicContact CG-CD1 4.11Å; P223-Y250 HydrophobicContact CG-CE1 3.75Å; P223-Y250 HydrophobicContact CG-CE2 4.48Å |
| 224 | V | 96.5 | Very high | 85.7 | Confident | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.012 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 135.4 | 170.4 | 176.4 | 0 | 0 | 0 | 0 | 109.5 | P193 K194 N196 Q197 C199 F246 C247 A248 | P193-V224 HydrophobicContact CB-CG2 3.93Å; P193-V224 HydrophobicContact CG-CG1 4.39Å; P193-V224 HydrophobicContact CG-CG2 3.72Å; K194-V224 WeakPolarHBondContact O-CB 3.42Å; K194-V224 WeakPolarHBondContact O-CG1 3.39Å; N196-V224 WeakPolarHBondContact CA-O 3.24Å; N196-V224 PolarHBondContact N-O 3.24Å; Q197-V224 HydrophobicContact CB-CG2 4.45Å; Q197-V224 WeakPolarHBondContact O-CG2 3.27Å; Q197-V224 PolarHBondContact O-N 2.97Å; C199-V224 VanDerWaalsContact SG-CG2 3.59Å; V224-F246 HydrophobicContact CG1-CD2 4.05Å; V224-F246 HydrophobicContact CG2-CD2 4.34Å; V224-F246 HydrophobicContact CG2-CE2 4.15Å; V224-C247 WeakPolarHBondContact CA-O 3.48Å; V224-A248 HydrophobicContact CG2-CB 4.42Å |
| 225 | L | 94.4 | Very high | 86.4 | Confident | 29 Ų | 29 | 48.5 Ų | 48.5 | 15% | 0.152 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 153.5 | 178.8 | -58.7 | -177.3 | 0 | 0 | 0 | 110.8 | M233 C247 P292 | L225-M233 HydrophobicContact CD1-SD 4.31Å; L225-C247 HydrophobicContact CB-CB 4.24Å; L225-C247 PolarHBondContact N-O 2.72Å; L225-P292 HydrophobicContact CD1-CB 3.49Å; L225-P292 VanDerWaalsContact CD1-CB 3.49Å; L225-P292 HydrophobicContact CD1-CG 3.68Å |
| 226 | Q | 92.4 | Very high | 86.3 | Confident | 109 Ų | 109 | 46.4 Ų | 46.4 | 51% | 0.509 | 26% | 0.257 | S | S | . | . | trans | -66.4 | 138.2 | 166.9 | -63.2 | -179.8 | 21.1 | 0 | 0 | 109.4 | P195 K228 T229 C230 | P195-Q226 HydrophobicContact CB-CG 3.66Å; P195-Q226 HydrophobicContact CG-CG 3.76Å; Q226-K228 VanDerWaalsContact C-N 3.3Å; Q226-K228 PolarHBondContact O-N 3.42Å; Q226-T229 WeakPolarHBondContact O-CB 3.19Å; Q226-T229 PolarHBondContact O-N 3.18Å; Q226-C230 PolarHBondContact O-N 2.86Å | ||
| 227 | S | 88.1 | Confident | 85.8 | Confident | 9 Ų | 9 | 47.2 Ų | 47.2 | 6% | 0.063 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -56.9 | -42.8 | -177 | -54.6 | 0 | 0 | 0 | 0 | 112.2 | T229 C230 M231 E242 | S227-T229 PolarHBondContact O-N 3.08Å; S227-C230 WeakPolarHBondContact O-CB 3.26Å; S227-C230 PolarHBondContact O-N 3.22Å; S227-C230 VanDerWaalsContact O-N 3.15Å; S227-M231 WeakPolarHBondContact O-CB 3.27Å; S227-M231 WeakPolarHBondContact O-CG 3.45Å; S227-M231 PolarHBondContact O-N 3.29Å; S227-E242 VanDerWaalsContact CB-CG 3.48Å; S227-E242 WeakPolarHBondContact CB-OE1 3.09Å; S227-E242 WeakPolarHBondContact OG-CG 3.49Å |
| 228 | K | 88.5 | Confident | 85.1 | Confident | 151 Ų | 151 | 47.5 Ų | 47.5 | 66% | 0.657 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -57.2 | -44.3 | 174.5 | -67.2 | -179.3 | -178.3 | 175.8 | 0 | 113.3 | Q226 M231 S232 | Q226-K228 VanDerWaalsContact C-N 3.3Å; Q226-K228 PolarHBondContact O-N 3.42Å; K228-M231 HydrophobicContact CG-CE 4.17Å; K228-S232 WeakPolarHBondContact O-CB 3.38Å; K228-S232 PolarHBondContact O-N 2.74Å; K228-S232 PolarHBondContact O-OG 3.17Å |
| 229 | T | 89.7 | Confident | 84.5 | Confident | 57 Ų | 57 | 53.2 Ų | 53.2 | 35% | 0.35 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.5 | -45.8 | 176.2 | -56.5 | 0 | 0 | 0 | 0 | 110.3 | Q226 S227 S232 M233 | Q226-T229 WeakPolarHBondContact O-CB 3.19Å; Q226-T229 PolarHBondContact O-N 3.18Å; S227-T229 PolarHBondContact O-N 3.08Å; T229-S232 PolarHBondContact O-N 3.27Å; T229-S232 PolarHBondContact O-OG 2.89Å; T229-M233 HydrophobicContact CG2-CE 3.94Å; T229-M233 WeakPolarHBondContact O-CG 3.16Å; T229-M233 PolarHBondContact O-N 3.43Å |
| 230 | C | 89.4 | Confident | 84 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.2 | -49.1 | 177.6 | -171.1 | 0 | 0 | 0 | 0 | 112.7 | Q226 S227 S232 M233 Y234 L240 C247 | Q226-C230 PolarHBondContact O-N 2.86Å; S227-C230 WeakPolarHBondContact O-CB 3.26Å; S227-C230 PolarHBondContact O-N 3.22Å; S227-C230 VanDerWaalsContact O-N 3.15Å; C230-S232 PolarHBondContact O-N 3.07Å; C230-M233 WeakPolarHBondContact O-CB 3.25Å; C230-M233 PolarHBondContact O-N 3.3Å; C230-Y234 PolarHBondContact O-N 2.89Å; C230-L240 HydrophobicContact CB-CD1 4.25Å; C230-C247 HydrophobicContact CB-CB 3.47Å; C230-C247 VanDerWaalsContact CB-CB 3.47Å; C230-C247 WeakPolarHBondContact CB-SG 3.33Å; C230-C247 WeakPolarHBondContact SG-CB 3.21Å; C230-C247 CovalentContact SG-SG 2.02Å; C230-C247 PolarHBondContact SG-SG 2.96Å |
| 231 | M | 86.3 | Confident | 83.9 | Confident | 39 Ų | 39 | 54.7 Ų | 54.7 | 19% | 0.192 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -57.6 | -38.8 | 177.8 | -71.5 | -173.9 | -71.6 | 0 | 0 | 112 | S227 K228 M233 Y234 A236 I238 L240 | S227-M231 WeakPolarHBondContact O-CB 3.27Å; S227-M231 WeakPolarHBondContact O-CG 3.45Å; S227-M231 PolarHBondContact O-N 3.29Å; K228-M231 HydrophobicContact CG-CE 4.17Å; M231-M233 VanDerWaalsContact C-N 3.3Å; M231-M233 PolarHBondContact O-N 2.84Å; M231-Y234 PolarHBondContact O-N 3.06Å; M231-A236 PolarHBondContact O-N 2.95Å; M231-I238 HydrophobicContact CG-CG1 4.37Å; M231-L240 HydrophobicContact CG-CB 4.17Å; M231-L240 HydrophobicContact CG-CD1 3.96Å; M231-L240 HydrophobicContact CG-CG 4.09Å; M231-L240 HydrophobicContact SD-CB 4.21Å |
| 232 | S | 86.7 | Confident | 83.5 | Confident | 83 Ų | 83 | 55.2 Ų | 55.2 | 58% | 0.58 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -65.2 | -31.6 | 176.4 | 75.1 | 0 | 0 | 0 | 0 | 113.4 | K228 T229 C230 S235 | K228-S232 WeakPolarHBondContact O-CB 3.38Å; K228-S232 PolarHBondContact O-N 2.74Å; K228-S232 PolarHBondContact O-OG 3.17Å; T229-S232 PolarHBondContact O-N 3.27Å; T229-S232 PolarHBondContact O-OG 2.89Å; C230-S232 PolarHBondContact O-N 3.07Å; S232-S235 PolarHBondContact O-N 3.05Å |
| 233 | M | 85.8 | Confident | 83.3 | Confident | 47 Ų | 47 | 59.1 Ų | 59.1 | 23% | 0.232 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -70 | -36.8 | 177.1 | -69 | 172.1 | 172.2 | 0 | 0 | 111.6 | L225 T229 C230 M231 S235 H251 Y291 P292 | L225-M233 HydrophobicContact CD1-SD 4.31Å; T229-M233 HydrophobicContact CG2-CE 3.94Å; T229-M233 WeakPolarHBondContact O-CG 3.16Å; T229-M233 PolarHBondContact O-N 3.43Å; C230-M233 WeakPolarHBondContact O-CB 3.25Å; C230-M233 PolarHBondContact O-N 3.3Å; M231-M233 VanDerWaalsContact C-N 3.3Å; M231-M233 PolarHBondContact O-N 2.84Å; M233-S235 PolarHBondContact O-N 3.32Å; M233-H251 HydrophobicContact CE-CB 3.76Å; M233-H251 HydrophobicContact SD-CB 3.94Å; M233-Y291 WeakPolarHBondContact O-CE1 3.4Å; M233-P292 HydrophobicContact SD-CG 3.89Å |
| 234 | Y | 80.5 | Confident | 83.2 | Confident | 16 Ų | 16 | 58.6 Ų | 58.6 | 6% | 0.063 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | 18.2 | 176.1 | -78.3 | -89.9 | 0 | 0 | 0 | 113.3 | C230 M231 A236 Y237 I238 H284 Y291 P292 | C230-Y234 PolarHBondContact O-N 2.89Å; M231-Y234 PolarHBondContact O-N 3.06Å; Y234-A236 PolarHBondContact O-N 2.81Å; Y234-A236 VanDerWaalsContact O-N 3.1Å; Y234-Y237 WeakPolarHBondContact O-CB 3.29Å; Y234-Y237 WeakPolarHBondContact O-CD2 3.31Å; Y234-Y237 PolarHBondContact O-N 2.84Å; Y234-I238 HydrophobicContact CD1-CD1 4.28Å; Y234-I238 HydrophobicContact CD1-CG2 4.2Å; Y234-I238 HydrophobicContact CD2-CD1 3.29Å; Y234-I238 HydrophobicContact CD2-CG1 4.27Å; Y234-I238 HydrophobicContact CE2-CD1 3.91Å; Y234-I238 HydrophobicContact CG-CD1 3.5Å; Y234-I238 VanDerWaalsContact CG-CD1 3.5Å; Y234-I238 HydrophobicContact CG-CG1 4.04Å; Y234-I238 HydrophobicContact CG-CG2 4.26Å; Y234-H284 HydrophobicContact CE1-CB 3.89Å; Y234-H284 PolarHBondContact OH-N 3.1Å; Y234-H284 VanDerWaalsContact OH-N 3.14Å; Y234-Y291 HydrophobicContact CD1-CD1 4.31Å; Y234-Y291 HydrophobicContact CD2-CD1 4.39Å; Y234-Y291 HydrophobicContact CE1-CD1 4.16Å; Y234-Y291 HydrophobicContact CE2-CD1 4.26Å; Y234-Y291 HydrophobicContact CG-CD1 4.44Å; Y234-P292 HydrophobicContact CE2-CG 4.19Å; Y234-P292 WeakPolarHBondContact CE2-O 3.46Å; Y234-P292 PolarHBondContact OH-O 3.37Å |
| 235 | S | 70.8 | Confident | 83.1 | Confident | 90 Ų | 90 | 58.7 Ų | 58.7 | 63% | 0.629 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | 32.7 | -179.1 | -56.2 | 0 | 0 | 0 | 0 | 114.1 | S232 M233 Y237 | S232-S235 PolarHBondContact O-N 3.05Å; M233-S235 PolarHBondContact O-N 3.32Å; S235-Y237 PolarHBondContact O-N 3.26Å |
| 236 | A | 61.8 | Low | 83.1 | Confident | 80 Ų | 80 | 57.3 Ų | 57.3 | 66% | 0.661 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.7 | 15.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 116 | M231 Y234 I238 | M231-A236 PolarHBondContact O-N 2.95Å; Y234-A236 PolarHBondContact O-N 2.81Å; Y234-A236 VanDerWaalsContact O-N 3.1Å; A236-I238 PolarHBondContact O-N 3.42Å |
| 237 | Y | 62.5 | Low | 83.2 | Confident | 122 Ų | 122 | 52.1 Ų | 52.1 | 48% | 0.478 | 28% | 0.283 | S | S | . | . | trans | -68.1 | -22.9 | 172 | -80 | -79.9 | 0 | 0 | 0 | 113 | C20 Y234 S235 | C20-Y237 VanDerWaalsContact CB-OH 3.32Å; C20-Y237 WeakPolarHBondContact CB-OH 3.34Å; C20-Y237 PolarHBondContact O-OH 3.16Å; C20-Y237 PolarHBondContact SG-OH 2.59Å; Y234-Y237 WeakPolarHBondContact O-CB 3.29Å; Y234-Y237 WeakPolarHBondContact O-CD2 3.31Å; Y234-Y237 PolarHBondContact O-N 2.84Å; S235-Y237 PolarHBondContact O-N 3.26Å | ||
| 238 | I | 67.1 | Low | 83.5 | Confident | 15 Ų | 15 | 51.7 Ų | 51.7 | 8% | 0.077 | 28% | 0.28 | C | S | . | . | trans | -102.2 | 128 | 175.3 | 65.8 | 178.7 | 0 | 0 | 0 | 109.3 | M231 Y234 A236 L240 I294 | M231-I238 HydrophobicContact CG-CG1 4.37Å; Y234-I238 HydrophobicContact CD1-CD1 4.28Å; Y234-I238 HydrophobicContact CD1-CG2 4.2Å; Y234-I238 HydrophobicContact CD2-CD1 3.29Å; Y234-I238 HydrophobicContact CD2-CG1 4.27Å; Y234-I238 HydrophobicContact CE2-CD1 3.91Å; Y234-I238 HydrophobicContact CG-CD1 3.5Å; Y234-I238 VanDerWaalsContact CG-CD1 3.5Å; Y234-I238 HydrophobicContact CG-CG1 4.04Å; Y234-I238 HydrophobicContact CG-CG2 4.26Å; A236-I238 PolarHBondContact O-N 3.42Å; I238-L240 HydrophobicContact CB-CG 4.48Å; I238-L240 HydrophobicContact CD1-CD1 3.77Å; I238-L240 HydrophobicContact CD1-CD2 4.1Å; I238-L240 HydrophobicContact CD1-CG 3.82Å; I238-L240 HydrophobicContact CG1-CD1 4.43Å; I238-L240 HydrophobicContact CG1-CG 4.07Å; I238-I294 HydrophobicContact CD1-CD1 3.84Å; I238-I294 HydrophobicContact CD1-CG1 4.46Å; I238-I294 HydrophobicContact CG2-CD1 4.33Å | ||
| 239 | N | 73.4 | Confident | 83.7 | Confident | 144 Ų | 144 | 44.6 Ų | 44.6 | 77% | 0.77 | 25% | 0.25 | S | S | * | . | trans | -102.2 | 88.1 | 168.9 | -173.1 | 48.7 | 0 | 0 | 0 | 107.7 | ||||
| 240 | L | 78.8 | Confident | 83.6 | Confident | 8 Ų | 8 | 44.4 Ų | 44.4 | 4% | 0.042 | 24% | 0.243 | C | C | . | . | trans | -77.6 | 127.9 | -179 | -65.3 | 175.2 | 0 | 0 | 0 | 110.1 | C230 M231 I238 E242 E245 C247 I294 | C230-L240 HydrophobicContact CB-CD1 4.25Å; M231-L240 HydrophobicContact CG-CB 4.17Å; M231-L240 HydrophobicContact CG-CD1 3.96Å; M231-L240 HydrophobicContact CG-CG 4.09Å; M231-L240 HydrophobicContact SD-CB 4.21Å; I238-L240 HydrophobicContact CB-CG 4.48Å; I238-L240 HydrophobicContact CD1-CD1 3.77Å; I238-L240 HydrophobicContact CD1-CD2 4.1Å; I238-L240 HydrophobicContact CD1-CG 3.82Å; I238-L240 HydrophobicContact CG1-CD1 4.43Å; I238-L240 HydrophobicContact CG1-CG 4.07Å; L240-E242 PolarHBondContact O-N 2.96Å; L240-E245 WeakPolarHBondContact CA-OE2 3.41Å; L240-E245 HydrophobicContact CD2-CB 4.39Å; L240-E245 VanDerWaalsContact CD2-OE2 3.28Å; L240-E245 WeakPolarHBondContact CD2-OE2 3.45Å; L240-C247 WeakPolarHBondContact CD1-SG 3.34Å; L240-I294 HydrophobicContact CD2-CD1 3.94Å; L240-I294 HydrophobicContact CD2-CG1 4.09Å; L240-I294 HydrophobicContact CD2-CG2 3.73Å | ||
| 241 | T | 86.1 | Confident | 83.3 | Confident | 43 Ų | 43 | 47.6 Ų | 47.6 | 26% | 0.264 | 26% | 0.258 | S | S | . | . | trans | -82.6 | 109.8 | 165.8 | -54.9 | 0 | 0 | 0 | 0 | 108.9 | E158 E243 H244 E245 | E158-T241 VanDerWaalsContact CD-OG1 3.32Å; E158-T241 WeakPolarHBondContact OE1-CB 3.23Å; E158-T241 PolarHBondContact OE1-N 2.93Å; E158-T241 PolarHBondContact OE1-OG1 2.03Å; T241-E243 HydrophobicContact CG2-CB 4.09Å; T241-E243 HydrophobicContact CG2-CG 4.43Å; T241-E243 PolarHBondContact O-N 3.33Å; T241-H244 PolarHBondContact O-N 3.06Å; T241-E245 PolarHBondContact N-OE2 2.78Å; T241-E245 PolarHBondContact O-N 3.02Å | ||
| 242 | E | 85.5 | Confident | 82.9 | Confident | 93 Ų | 93 | 50.7 Ų | 50.7 | 44% | 0.435 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -25.5 | -174.4 | -49.4 | -165.4 | 166.9 | 0 | 0 | 113.2 | S227 L240 R297 | S227-E242 VanDerWaalsContact CB-CG 3.48Å; S227-E242 WeakPolarHBondContact CB-OE1 3.09Å; S227-E242 WeakPolarHBondContact OG-CG 3.49Å; L240-E242 PolarHBondContact O-N 2.96Å; E242-R297 PolarHBondContact O-NE 2.77Å; E242-R297 VanDerWaalsContact O-NE 3.14Å; E242-R297 PolarHBondContact O-NH2 3.38Å |
| 243 | E | 90.1 | Very high | 82.5 | Confident | 83 Ų | 83 | 53.6 Ų | 53.6 | 39% | 0.388 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -40.6 | 177.5 | -58.2 | -178 | -169.4 | 0 | 0 | 112.6 | E190 T241 R297 Y300 | E190-E243 HydrophobicContact CG-CB 3.82Å; E190-E243 HydrophobicContact CG-CG 3.97Å; T241-E243 HydrophobicContact CG2-CB 4.09Å; T241-E243 HydrophobicContact CG2-CG 4.43Å; T241-E243 PolarHBondContact O-N 3.33Å; E243-R297 WeakPolarHBondContact O-CD 3.39Å; E243-Y300 HydrophobicContact CB-CD2 4.23Å; E243-Y300 HydrophobicContact CB-CE2 4.08Å; E243-Y300 WeakPolarHBondContact O-CB 3.43Å; E243-Y300 WeakPolarHBondContact O-CD2 3.37Å |
| 244 | H | 93.4 | Very high | 82 | Confident | 11 Ų | 11 | 52.9 Ų | 52.9 | 5% | 0.051 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | -20.3 | -172 | -55.8 | 156.3 | 0 | 0 | 0 | 112.8 | E158 Y159 T241 R297 Y300 F301 | E158-H244 IonicContact OE2-CE1 3.6Å; E158-H244 IonicContact OE2-CG 2.74Å; E158-H244 IonicContact OE2-ND1 2.72Å; E158-H244 PolarHBondContact OE2-ND1 3.27Å; Y159-H244 AromaticContact CZ-CE1 3.64Å; Y159-H244 PolarHBondContact OH-CE1 3.13Å; T241-H244 PolarHBondContact O-N 3.06Å; H244-R297 WeakPolarHBondContact O-CB 3.45Å; H244-R297 PolarHBondContact O-N 2.92Å; H244-Y300 AromaticContact CD2-CD1 3.54Å; H244-Y300 AromaticContact CD2-CD2 3.94Å; H244-Y300 AromaticContact CD2-CE1 3.24Å; H244-Y300 WeakPolarHBondContact CD2-CE1 3.18Å; H244-Y300 AromaticContact CD2-CE2 3.65Å; H244-Y300 AromaticContact CD2-CG 3.88Å; H244-Y300 AromaticContact CD2-CZ 3.29Å; H244-Y300 AromaticContact NE2-CE1 3.38Å; H244-Y300 WeakPolarHBondContact NE2-CE1 3.41Å; H244-Y300 AromaticContact NE2-CE2 3.78Å; H244-Y300 AromaticContact NE2-CZ 3.14Å; H244-Y300 PolarHBondContact NE2-OH 3.34Å; H244-Y300 VanDerWaalsContact NE2-OH 3.09Å; H244-F301 HydrophobicContact CB-CE2 4.29Å; H244-F301 HydrophobicContact CB-CZ 4.04Å |
| 245 | E | 93.6 | Very high | 81.8 | Confident | 3 Ų | 3 | 56 Ų | 56 | 1% | 0.014 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 153.8 | -168.2 | -55.6 | 177.7 | 138.9 | 0 | 0 | 111.4 | L157 E158 L240 T241 I294 F295 | L157-E245 WeakPolarHBondContact CA-OE1 3.45Å; L157-E245 WeakPolarHBondContact CB-OE1 3.47Å; L157-E245 VanDerWaalsContact O-OE1 3.04Å; E158-E245 PolarHBondContact N-OE1 2.68Å; L240-E245 WeakPolarHBondContact CA-OE2 3.41Å; L240-E245 HydrophobicContact CD2-CB 4.39Å; L240-E245 VanDerWaalsContact CD2-OE2 3.28Å; L240-E245 WeakPolarHBondContact CD2-OE2 3.45Å; T241-E245 PolarHBondContact N-OE2 2.78Å; T241-E245 PolarHBondContact O-N 3.02Å; E245-I294 HydrophobicContact CB-CG2 4.4Å; E245-F295 VanDerWaalsContact CA-O 3.31Å; E245-F295 WeakPolarHBondContact CA-O 3.47Å |
| 246 | F | 94.7 | Very high | 82.2 | Confident | 1 Ų | 1 | 51.8 Ų | 51.8 | 0% | 0.004 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 164 | 171.1 | 67.9 | -80.6 | 0 | 0 | 0 | 110.9 | P193 V224 A248 L266 A277 F295 R297 | P193-F246 HydrophobicContact CG-CD2 3.94Å; P193-F246 HydrophobicContact CG-CE1 4.18Å; P193-F246 HydrophobicContact CG-CE2 3.48Å; P193-F246 VanDerWaalsContact CG-CE2 3.48Å; P193-F246 HydrophobicContact CG-CG 4.45Å; P193-F246 HydrophobicContact CG-CZ 3.61Å; V224-F246 HydrophobicContact CG1-CD2 4.05Å; V224-F246 HydrophobicContact CG2-CD2 4.34Å; V224-F246 HydrophobicContact CG2-CE2 4.15Å; F246-A248 HydrophobicContact CE2-CB 4.46Å; F246-L266 HydrophobicContact CE2-CD2 3.49Å; F246-L266 VanDerWaalsContact CE2-CD2 3.49Å; F246-L266 HydrophobicContact CZ-CD2 3.62Å; F246-A277 WeakPolarHBondContact CE1-O 2.99Å; F246-A277 HydrophobicContact CZ-CB 4.37Å; F246-F295 HydrophobicContact CD1-CB 4.23Å; F246-F295 HydrophobicContact CE1-CB 3.76Å; F246-F295 HydrophobicContact CE2-CB 4.13Å; F246-F295 HydrophobicContact CE2-CD2 4.33Å; F246-F295 HydrophobicContact CE2-CG 4.39Å; F246-F295 HydrophobicContact CZ-CB 3.73Å; F246-F295 HydrophobicContact CZ-CG 4.28Å; F246-F295 PolarHBondContact N-O 3.4Å; F246-F295 PolarHBondContact O-N 3.1Å; F246-R297 HydrophobicContact CD1-CB 3.91Å; F246-R297 HydrophobicContact CD1-CG 4.18Å; F246-R297 HydrophobicContact CE1-CB 4.27Å; F246-R297 HydrophobicContact CE1-CG 4.46Å |
| 247 | C | 93.6 | Very high | 83.1 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 145.5 | 176.2 | -63.8 | 0 | 0 | 0 | 0 | 111.9 | V224 L225 C230 L240 P292 A293 | V224-C247 WeakPolarHBondContact CA-O 3.48Å; L225-C247 HydrophobicContact CB-CB 4.24Å; L225-C247 PolarHBondContact N-O 2.72Å; C230-C247 HydrophobicContact CB-CB 3.47Å; C230-C247 VanDerWaalsContact CB-CB 3.47Å; C230-C247 WeakPolarHBondContact CB-SG 3.33Å; C230-C247 WeakPolarHBondContact SG-CB 3.21Å; C230-C247 CovalentContact SG-SG 2.02Å; C230-C247 PolarHBondContact SG-SG 2.96Å; L240-C247 WeakPolarHBondContact CD1-SG 3.34Å; C247-P292 HydrophobicContact CB-CB 4.28Å; C247-A293 CarbonylContact C-O 3.57Å; C247-A293 WeakPolarHBondContact CA-O 3.32Å |
| 248 | A | 95.2 | Very high | 83.6 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 142.8 | 165.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | L222 P223 V224 F246 L266 A293 F295 | L222-A248 HydrophobicContact CB-CB 4.04Å; P223-A248 CarbonylContact O-C 3.58Å; P223-A248 WeakPolarHBondContact O-CA 3.48Å; V224-A248 HydrophobicContact CG2-CB 4.42Å; F246-A248 HydrophobicContact CE2-CB 4.46Å; A248-L266 HydrophobicContact CB-CD2 4.04Å; A248-A293 PolarHBondContact N-O 3.37Å; A248-A293 PolarHBondContact O-N 2.65Å; A248-F295 HydrophobicContact CB-CD2 4.09Å; A248-F295 HydrophobicContact CB-CE2 3.64Å; A248-F295 HydrophobicContact CB-CZ 4.42Å |
| 249 | G | 92.4 | Very high | 83.6 | Confident | 2 Ų | 2 | 42.9 Ų | 42.9 | 2% | 0.021 | 22% | 0.218 | C | C | . | . | S | Bend | trans | 131.9 | -163.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | P223 | P223-G249 PolarHBondContact O-N 3.1Š|
| 250 | Y | 87.3 | Confident | 83.6 | Confident | 53 Ų | 53 | 36.5 Ų | 36.5 | 21% | 0.208 | 19% | 0.186 | C | C | . | . | trans | -120.7 | 158.8 | -171.3 | -60.2 | -84.6 | 0 | 0 | 0 | 110.5 | E221 L222 P223 F253 K255 Y291 | E221-Y250 WeakPolarHBondContact O-CE2 3.45Å; L222-Y250 HydrophobicContact CD2-CD2 4.29Å; L222-Y250 HydrophobicContact CD2-CE2 4.37Å; P223-Y250 HydrophobicContact CG-CD1 4.11Å; P223-Y250 HydrophobicContact CG-CE1 3.75Å; P223-Y250 HydrophobicContact CG-CE2 4.48Å; Y250-F253 HydrophobicContact CD1-CD2 4.19Å; Y250-F253 HydrophobicContact CD1-CG 4.22Å; Y250-F253 HydrophobicContact CG-CB 4.05Å; Y250-F253 HydrophobicContact CG-CD2 4.28Å; Y250-F253 HydrophobicContact CG-CG 4.15Å; Y250-K255 HydrophobicContact CD2-CB 3.81Å; Y250-K255 HydrophobicContact CD2-CD 4.11Å; Y250-K255 HydrophobicContact CE2-CB 4.34Å; Y250-K255 HydrophobicContact CE2-CD 3.91Å; Y250-Y291 CarbonylContact O-C 3.55Å | ||
| 251 | H | 83 | Confident | 84 | Confident | 66 Ų | 66 | 36.4 Ų | 36.4 | 31% | 0.306 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -106.8 | 122.3 | 172.1 | -172.7 | 55.7 | 0 | 0 | 0 | 110.7 | M233 F253 D290 | M233-H251 HydrophobicContact CE-CB 3.76Å; M233-H251 HydrophobicContact SD-CB 3.94Å; H251-F253 WeakPolarHBondContact O-CD2 3.17Å; H251-F253 PolarHBondContact O-N 2.83Å; H251-D290 CarbonylContact C-O 3.57Å; H251-D290 VanDerWaalsContact CA-O 3.23Å; H251-D290 WeakPolarHBondContact CA-O 3.49Å; H251-D290 PolarHBondContact ND1-O 3.33Å |
| 252 | N | 78.3 | Confident | 84.2 | Confident | 104 Ų | 104 | 34.9 Ų | 34.9 | 56% | 0.556 | 18% | 0.177 | S | C | * | . | S | Bend | trans | 58.1 | 37.6 | -176.9 | -54.2 | -43.3 | 0 | 0 | 0 | 115.6 | D290 | N252-D290 PolarHBondContact N-O 2.55Š|
| 253 | F | 77.8 | Confident | 84.7 | Confident | 145 Ų | 145 | 30.5 Ų | 30.5 | 64% | 0.636 | 16% | 0.157 | S | C | * | . | S | Bend | trans | -110.6 | -1.8 | 179.8 | -88.1 | -95.2 | 0 | 0 | 0 | 114.4 | Y250 H251 K255 | Y250-F253 HydrophobicContact CD1-CD2 4.19Å; Y250-F253 HydrophobicContact CD1-CG 4.22Å; Y250-F253 HydrophobicContact CG-CB 4.05Å; Y250-F253 HydrophobicContact CG-CD2 4.28Å; Y250-F253 HydrophobicContact CG-CG 4.15Å; H251-F253 WeakPolarHBondContact O-CD2 3.17Å; H251-F253 PolarHBondContact O-N 2.83Å; F253-K255 VanDerWaalsContact C-N 3.29Å; F253-K255 PolarHBondContact O-N 3Å |
| 254 | G | 75.6 | Confident | 84.9 | Confident | 31 Ų | 31 | 26.5 Ų | 26.5 | 32% | 0.32 | 14% | 0.138 | S | C | . | . | S | Bend | trans | 66.6 | 32.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | I32 A289 | I32-G254 VanDerWaalsContact CG2-O 3.23Å; I32-G254 WeakPolarHBondContact CG2-O 3.49Å; G254-A289 PolarHBondContact N-O 2.76Å |
| 255 | K | 77.6 | Confident | 85.1 | Confident | 82 Ų | 82 | 26.1 Ų | 26.1 | 36% | 0.357 | 14% | 0.137 | S | C | . | . | trans | -139.3 | 123.8 | -178.3 | -74 | -174.1 | 179.5 | -176.7 | 0 | 111.2 | I32 V220 Y250 F253 A289 | I32-K255 VanDerWaalsContact O-CA 3.25Å; I32-K255 WeakPolarHBondContact O-CA 3.23Å; V220-K255 HydrophobicContact CG2-CB 4.43Å; Y250-K255 HydrophobicContact CD2-CB 3.81Å; Y250-K255 HydrophobicContact CD2-CD 4.11Å; Y250-K255 HydrophobicContact CE2-CB 4.34Å; Y250-K255 HydrophobicContact CE2-CD 3.91Å; F253-K255 VanDerWaalsContact C-N 3.29Å; F253-K255 PolarHBondContact O-N 3Å; K255-A289 PolarHBondContact N-O 2.99Å; K255-A289 VanDerWaalsContact N-O 3.1Å | ||
| 256 | G | 79.5 | Confident | 85.3 | Confident | 2 Ų | 2 | 26 Ų | 26 | 2% | 0.021 | 14% | 0.136 | C | C | . | . | B | Isolated β-bridge | trans | 179.8 | 179.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | I31 I32 | I31-G256 WeakPolarHBondContact CD1-O 3.04Å; I32-G256 PolarHBondContact N-O 2.65Å; I32-G256 PolarHBondContact O-N 2.72Å |
| 257 | V | 80.2 | Confident | 85.4 | Confident | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.006 | 14% | 0.136 | C | C | . | . | trans | -97.2 | 169.9 | 173.3 | -45.1 | 0 | 0 | 0 | 0 | 110.4 | A201 L222 D261 V280 A293 F295 | A201-V257 HydrophobicContact CB-CG1 3.84Å; L222-V257 HydrophobicContact CD1-CG1 3.93Å; V257-D261 HydrophobicContact CB-CB 4.35Å; V257-V280 HydrophobicContact CB-CG1 4.23Å; V257-V280 HydrophobicContact CB-CG2 4.5Å; V257-V280 HydrophobicContact CG1-CG2 4.3Å; V257-V280 HydrophobicContact CG2-CG1 3.68Å; V257-A293 HydrophobicContact CB-CB 4.29Å; V257-A293 HydrophobicContact CG1-CB 4.12Å; V257-A293 HydrophobicContact CG2-CB 3.28Å; V257-F295 HydrophobicContact CG1-CE1 4.33Å; V257-F295 HydrophobicContact CG1-CZ 3.88Å | ||
| 258 | C | 73.4 | Confident | 85.6 | Confident | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.007 | 14% | 0.136 | C | C | . | . | trans | -150 | 171.2 | 170.8 | -76.5 | 0 | 0 | 0 | 0 | 113.9 | K29 R30 G260 D261 P288 | K29-C258 VanDerWaalsContact C-SG 3.56Å; R30-C258 VanDerWaalsContact CA-CB 3.45Å; R30-C258 VanDerWaalsContact CA-SG 3.57Å; R30-C258 PolarHBondContact N-SG 3.38Å; C258-G260 PolarHBondContact O-N 3.14Å; C258-D261 PolarHBondContact N-OD2 3.09Å; C258-D261 WeakPolarHBondContact O-CA 3.48Å; C258-D261 WeakPolarHBondContact O-CB 3.15Å; C258-D261 PolarHBondContact O-N 3.07Å; C258-P288 WeakPolarHBondContact SG-CB 3.21Å; C258-P288 WeakPolarHBondContact SG-CG 2.96Å | ||
| 259 | P | 66.1 | Low | 85.6 | Confident | 27 Ų | 27 | 31.4 Ų | 31.4 | 18% | 0.175 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47.7 | 138 | 161.7 | -30.2 | 38.2 | 0 | 0 | 0 | 112.9 | R27 F28 | R27-P259 HydrophobicContact CB-CG 4.42Å; F28-P259 WeakPolarHBondContact O-CD 3.31Å |
| 260 | G | 74 | Confident | 85.6 | Confident | 10 Ų | 10 | 33.2 Ų | 33.2 | 10% | 0.103 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 98.7 | -47.1 | -158 | 0 | 0 | 0 | 0 | 0 | 111.3 | H66 G69 C258 S262 | H66-G260 PolarHBondContact NE2-O 3.18Å; G69-G260 PolarHBondContact N-O 3.19Å; C258-G260 PolarHBondContact O-N 3.14Å; G260-S262 PolarHBondContact O-N 3.13Å |
| 261 | D | 85.9 | Confident | 85.8 | Confident | 6 Ų | 6 | 38.4 Ų | 38.4 | 3% | 0.032 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -75.7 | -14.4 | 167.9 | -51 | -56.5 | 0 | 0 | 0 | 112.5 | I31 G205 V257 C258 G263 G264 V280 | I31-D261 WeakPolarHBondContact CD1-OD2 2.98Å; I31-D261 WeakPolarHBondContact CG1-OD2 3Å; G205-D261 WeakPolarHBondContact CA-OD1 3.11Å; G205-D261 PolarHBondContact N-OD1 2.94Å; V257-D261 HydrophobicContact CB-CB 4.35Å; C258-D261 PolarHBondContact N-OD2 3.09Å; C258-D261 WeakPolarHBondContact O-CA 3.48Å; C258-D261 WeakPolarHBondContact O-CB 3.15Å; C258-D261 PolarHBondContact O-N 3.07Å; D261-G263 PolarHBondContact O-N 3.46Å; D261-G264 WeakPolarHBondContact O-CA 3.19Å; D261-G264 PolarHBondContact O-N 2.69Å; D261-V280 HydrophobicContact CB-CG1 4.27Å; D261-V280 HydrophobicContact CB-CG2 4.3Å; D261-V280 VanDerWaalsContact O-CB 3.27Å; D261-V280 WeakPolarHBondContact O-CB 3.4Å |
| 262 | S | 91.8 | Very high | 86.2 | Confident | 11 Ų | 11 | 38 Ų | 38 | 8% | 0.077 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -40.7 | 131.6 | 172.4 | -76 | 0 | 0 | 0 | 0 | 111.8 | C68 G69 H83 G260 G264 | C68-S262 CarbonylContact C-O 3.44Å; C68-S262 WeakPolarHBondContact CA-O 3.28Å; C68-S262 WeakPolarHBondContact CB-O 2.94Å; G69-S262 PolarHBondContact N-O 3.49Å; H83-S262 PolarHBondContact CE1-OG 2.95Å; H83-S262 WeakPolarHBondContact NE2-CB 3.43Å; H83-S262 PolarHBondContact NE2-OG 3.31Å; G260-S262 PolarHBondContact O-N 3.13Å; S262-G264 PolarHBondContact O-N 3.37Å; S262-G264 VanDerWaalsContact O-N 3.16Å |
| 263 | G | 94.9 | Very high | 86.9 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.5 | -9.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | G69 A70 T80 A81 D261 V280 | G69-G263 VanDerWaalsContact C-C 3.41Å; G69-G263 CarbonylContact C-O 3.44Å; G69-G263 CarbonylContact O-C 3.5Å; G69-G263 WeakPolarHBondContact O-CA 3.38Å; A70-G263 WeakPolarHBondContact CA-O 3.48Å; T80-G263 WeakPolarHBondContact OG1-CA 3.13Å; A81-G263 VanDerWaalsContact N-CA 3.31Å; D261-G263 PolarHBondContact O-N 3.46Å; G263-V280 PolarHBondContact N-O 2.74Å |
| 264 | G | 95.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | trans | -68.9 | 155.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | D261 S262 V280 | D261-G264 WeakPolarHBondContact O-CA 3.19Å; D261-G264 PolarHBondContact O-N 2.69Å; S262-G264 PolarHBondContact O-N 3.37Å; S262-G264 VanDerWaalsContact O-N 3.16Å; G264-V280 WeakPolarHBondContact O-CG2 3.38Å; G264-V280 PolarHBondContact O-N 2.98Å | ||
| 265 | P | 97 | Very high | 88.7 | Confident | 3 Ų | 3 | 37 Ų | 37 | 2% | 0.019 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 142.2 | -175.8 | 30.8 | -34.2 | 0 | 0 | 0 | 113.2 | W44 A71 V202 V267 L276 | W44-P265 HydrophobicContact CE3-CB 4.45Å; W44-P265 HydrophobicContact CE3-CG 3.66Å; W44-P265 HydrophobicContact CH2-CB 4.26Å; W44-P265 HydrophobicContact CH2-CG 3.6Å; W44-P265 HydrophobicContact CZ3-CB 3.98Å; W44-P265 HydrophobicContact CZ3-CG 3.01Å; A71-P265 HydrophobicContact CB-CB 3.97Å; A71-P265 HydrophobicContact CB-CG 4Å; V202-P265 PolarHBondContact N-O 2.72Å; V202-P265 VanDerWaalsContact N-O 3.09Å; V202-P265 WeakPolarHBondContact O-CD 3.01Å; P265-V267 HydrophobicContact CB-CG1 4.5Å; P265-L276 HydrophobicContact CB-CD1 3.34Å |
| 266 | L | 97.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 119 | 157.4 | -175 | 80.9 | 0 | 0 | 0 | 107.9 | C199 V200 A201 L222 F246 A248 A277 G278 F295 | C199-L266 HydrophobicContact CB-CD1 3.87Å; C199-L266 HydrophobicContact CB-CD2 3.96Å; C199-L266 HydrophobicContact CB-CG 3.79Å; V200-L266 WeakPolarHBondContact O-CA 3.36Å; A201-L266 HydrophobicContact CB-CD1 3.75Å; L222-L266 HydrophobicContact CD1-CD1 4.29Å; F246-L266 HydrophobicContact CE2-CD2 3.49Å; F246-L266 VanDerWaalsContact CE2-CD2 3.49Å; F246-L266 HydrophobicContact CZ-CD2 3.62Å; A248-L266 HydrophobicContact CB-CD2 4.04Å; L266-A277 WeakPolarHBondContact O-CB 3.45Å; L266-A277 PolarHBondContact O-N 3.37Å; L266-G278 PolarHBondContact N-O 2.67Å; L266-G278 PolarHBondContact O-N 2.02Å; L266-F295 HydrophobicContact CB-CD1 3.68Å; L266-F295 HydrophobicContact CB-CE1 3.63Å; L266-F295 HydrophobicContact CB-CZ 4.44Å; L266-F295 HydrophobicContact CD1-CE1 3.92Å; L266-F295 HydrophobicContact CD1-CZ 3.92Å; L266-F295 HydrophobicContact CD2-CD1 4Å; L266-F295 HydrophobicContact CD2-CD2 4.17Å; L266-F295 HydrophobicContact CD2-CE1 4.05Å; L266-F295 HydrophobicContact CD2-CE2 4.23Å; L266-F295 HydrophobicContact CD2-CG 4.06Å; L266-F295 HydrophobicContact CD2-CZ 4.17Å; L266-F295 HydrophobicContact CG-CD1 4.3Å; L266-F295 HydrophobicContact CG-CE1 4.07Å; L266-F295 HydrophobicContact CG-CZ 4.41Å |
| 267 | V | 97.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 140.7 | 178.1 | -63.3 | 0 | 0 | 0 | 0 | 111.1 | W44 I181 C199 V200 P265 Y274 K275 | W44-V267 HydrophobicContact CH2-CG1 3.91Å; W44-V267 HydrophobicContact CH2-CG2 4.44Å; W44-V267 HydrophobicContact CZ2-CB 4.33Å; W44-V267 HydrophobicContact CZ2-CG1 3.45Å; W44-V267 VanDerWaalsContact CZ2-CG1 3.45Å; W44-V267 HydrophobicContact CZ2-CG2 3.96Å; I181-V267 HydrophobicContact CD1-CG1 3.74Å; I181-V267 HydrophobicContact CG1-CG1 4.06Å; C199-V267 CarbonylContact C-O 3.59Å; C199-V267 WeakPolarHBondContact CA-O 3.21Å; C199-V267 VanDerWaalsContact CB-O 3.3Å; C199-V267 WeakPolarHBondContact CB-O 3.38Å; V200-V267 HydrophobicContact CB-CG2 4.08Å; V200-V267 PolarHBondContact N-O 2.97Å; V200-V267 PolarHBondContact O-N 2.78Å; P265-V267 HydrophobicContact CB-CG1 4.5Å; V267-Y274 HydrophobicContact CB-CD1 3.9Å; V267-Y274 HydrophobicContact CB-CG 4.45Å; V267-Y274 HydrophobicContact CG2-CD1 3.58Å; V267-Y274 HydrophobicContact CG2-CE1 3.98Å; V267-Y274 HydrophobicContact CG2-CG 4.19Å; V267-K275 VanDerWaalsContact CA-O 3.29Å; V267-K275 WeakPolarHBondContact CA-O 3.46Å |
| 268 | C | 97.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 149.2 | 173 | -46.5 | 0 | 0 | 0 | 0 | 108.6 | W192 P193 Q197 C199 K275 A277 | W192-C268 HydrophobicContact CH2-CB 4.14Å; W192-C268 HydrophobicContact CZ2-CB 3.73Å; P193-C268 HydrophobicContact CB-CB 4.46Å; Q197-C268 HydrophobicContact CG-CB 4.46Å; C199-C268 HydrophobicContact CB-CB 4.04Å; C199-C268 WeakPolarHBondContact CB-SG 3.37Å; C199-C268 WeakPolarHBondContact SG-CB 3.24Å; C199-C268 CovalentContact SG-SG 2.02Å; C199-C268 PolarHBondContact SG-SG 3.47Å; C268-K275 PolarHBondContact N-O 3.5Å; C268-K275 VanDerWaalsContact N-O 3.07Å; C268-K275 PolarHBondContact O-N 3.45Å; C268-A277 HydrophobicContact CB-CB 4.06Å; C268-A277 WeakPolarHBondContact SG-CB 3.36Å |
| 269 | E | 94.7 | Very high | 92.6 | Very high | 115 Ų | 115 | 33 Ų | 33 | 54% | 0.537 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 133 | 174 | -167.9 | 178.8 | 169.1 | 0 | 0 | 110 | Q197 G272 E273 | Q197-E269 PolarHBondContact NE2-O 3.26Å; E269-G272 WeakPolarHBondContact OE1-CA 3.47Å; E269-E273 CarbonylContact C-O 3.38Å; E269-E273 WeakPolarHBondContact CA-O 3.49Å |
| 270 | D | 93.2 | Very high | 94 | Very high | 40 Ų | 40 | 31.9 Ų | 31.9 | 21% | 0.214 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 115.6 | 174 | -177 | 44.2 | 0 | 0 | 0 | 108.1 | W192 G272 E273 K275 | W192-D270 HydrophobicContact CZ2-CB 3.95Å; D270-G272 VanDerWaalsContact C-N 3.32Å; D270-G272 PolarHBondContact O-N 2.85Å; D270-E273 PolarHBondContact N-O 3.38Å; D270-E273 PolarHBondContact O-N 3.15Å; D270-K275 HydrophobicContact CB-CD 3.88Å; D270-K275 HydrophobicContact CB-CG 4.22Å; D270-K275 WeakPolarHBondContact OD2-CE 3.39Å; D270-K275 IonicContact OD2-NZ 3.75Å; D270-K275 PolarHBondContact OD2-NZ 3.14Å |
| 271 | D | 90.8 | Very high | 94.9 | Very high | 162 Ų | 162 | 31.7 Ų | 31.7 | 87% | 0.866 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | 41.6 | -175 | -158.7 | 28.5 | 0 | 0 | 0 | 114.6 | E273 | D271-E273 VanDerWaalsContact C-N 3.29Å; D271-E273 PolarHBondContact O-N 3.05Å |
| 272 | G | 91 | Very high | 95 | Very high | 57 Ų | 57 | 32.1 Ų | 32.1 | 59% | 0.588 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 83.4 | -2.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | E269 D270 | E269-G272 WeakPolarHBondContact OE1-CA 3.47Å; D270-G272 VanDerWaalsContact C-N 3.32Å; D270-G272 PolarHBondContact O-N 2.85Å |
| 273 | E | 93 | Very high | 94.5 | Very high | 123 Ų | 123 | 32.2 Ų | 32.2 | 58% | 0.575 | 17% | 0.173 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 144.6 | -179.9 | -62.8 | -168.4 | 161.4 | 0 | 0 | 111.8 | E269 D270 D271 K275 | E269-E273 CarbonylContact C-O 3.38Å; E269-E273 WeakPolarHBondContact CA-O 3.49Å; D270-E273 PolarHBondContact N-O 3.38Å; D270-E273 PolarHBondContact O-N 3.15Å; D271-E273 VanDerWaalsContact C-N 3.29Å; D271-E273 PolarHBondContact O-N 3.05Å; E273-K275 PolarHBondContact O-N 2.92Å |
| 274 | Y | 95.5 | Very high | 93.8 | Very high | 111 Ų | 111 | 33.8 Ų | 33.8 | 44% | 0.435 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 125.7 | 173.8 | -81.7 | -66.7 | 0 | 0 | 0 | 110.5 | I181 V200 V267 | I181-Y274 WeakPolarHBondContact CD1-O 3.33Å; V200-Y274 HydrophobicContact CG2-CE1 4.41Å; V267-Y274 HydrophobicContact CB-CD1 3.9Å; V267-Y274 HydrophobicContact CB-CG 4.45Å; V267-Y274 HydrophobicContact CG2-CD1 3.58Å; V267-Y274 HydrophobicContact CG2-CE1 3.98Å; V267-Y274 HydrophobicContact CG2-CG 4.19Å |
| 275 | K | 97.4 | Very high | 92.6 | Very high | 25 Ų | 25 | 34.6 Ų | 34.6 | 11% | 0.109 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 153.3 | 172.6 | -55.2 | -170.4 | -171.6 | 170.6 | 0 | 111 | E182 W192 V267 C268 D270 E273 A277 | E182-K275 HydrophobicContact CB-CG 4.32Å; E182-K275 VanDerWaalsContact OE2-CE 3.24Å; E182-K275 WeakPolarHBondContact OE2-CE 3.34Å; W192-K275 HydrophobicContact CH2-CB 3.73Å; W192-K275 HydrophobicContact CZ2-CB 4.29Å; V267-K275 VanDerWaalsContact CA-O 3.29Å; V267-K275 WeakPolarHBondContact CA-O 3.46Å; C268-K275 PolarHBondContact N-O 3.5Å; C268-K275 VanDerWaalsContact N-O 3.07Å; C268-K275 PolarHBondContact O-N 3.45Å; D270-K275 HydrophobicContact CB-CD 3.88Å; D270-K275 HydrophobicContact CB-CG 4.22Å; D270-K275 WeakPolarHBondContact OD2-CE 3.39Å; D270-K275 IonicContact OD2-NZ 3.75Å; D270-K275 PolarHBondContact OD2-NZ 3.14Å; E273-K275 PolarHBondContact O-N 2.92Å; K275-A277 PolarHBondContact O-N 3.3Å; K275-A277 VanDerWaalsContact O-N 3.15Å |
| 276 | L | 98.2 | Very high | 91.4 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 104.8 | 178.9 | -176.6 | 63 | 0 | 0 | 0 | 110.6 | I73 I79 I181 E182 L183 P184 P265 G278 V298 | I73-L276 HydrophobicContact CG2-CD2 4.22Å; I79-L276 HydrophobicContact CD1-CD2 3.98Å; I79-L276 HydrophobicContact CG2-CD2 3.61Å; I181-L276 HydrophobicContact CG1-CB 3.78Å; I181-L276 HydrophobicContact CG2-CB 4.18Å; I181-L276 HydrophobicContact CG2-CD2 4.37Å; E182-L276 PolarHBondContact O-N 2.68Å; L183-L276 HydrophobicContact CD2-CD2 4.31Å; P184-L276 WeakPolarHBondContact CD-O 3.44Å; P184-L276 WeakPolarHBondContact CG-O 3.31Å; P265-L276 HydrophobicContact CB-CD1 3.34Å; L276-G278 WeakPolarHBondContact CD1-O 3.4Å; L276-V298 HydrophobicContact CD2-CG1 4.1Å; L276-V298 HydrophobicContact CD2-CG2 4.18Å; L276-V298 HydrophobicContact CG-CB 4.41Å; L276-V298 HydrophobicContact CG-CG1 4.19Å; L276-V298 HydrophobicContact CG-CG2 4Å; L276-V298 WeakPolarHBondContact O-CB 3.45Å |
| 277 | A | 97.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | -44.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | W192 P193 F246 L266 C268 K275 V298 | W192-A277 HydrophobicContact CE3-CB 4.32Å; W192-A277 HydrophobicContact CH2-CB 3.56Å; W192-A277 HydrophobicContact CZ2-CB 4.39Å; W192-A277 HydrophobicContact CZ3-CB 3.55Å; P193-A277 HydrophobicContact CB-CB 4.32Å; P193-A277 HydrophobicContact CG-CB 3.99Å; F246-A277 WeakPolarHBondContact CE1-O 2.99Å; F246-A277 HydrophobicContact CZ-CB 4.37Å; L266-A277 WeakPolarHBondContact O-CB 3.45Å; L266-A277 PolarHBondContact O-N 3.37Å; C268-A277 HydrophobicContact CB-CB 4.06Å; C268-A277 WeakPolarHBondContact SG-CB 3.36Å; K275-A277 PolarHBondContact O-N 3.3Å; K275-A277 VanDerWaalsContact O-N 3.15Å; A277-V298 PolarHBondContact O-N 3.25Å |
| 278 | G | 97.7 | Very high | 89 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 155.4 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L266 L276 T296 | L266-G278 PolarHBondContact N-O 2.67Å; L266-G278 PolarHBondContact O-N 2.02Å; L276-G278 WeakPolarHBondContact CD1-O 3.4Å; G278-T296 VanDerWaalsContact CA-O 3.27Å; G278-T296 WeakPolarHBondContact CA-O 3.43Å |
| 279 | I | 98 | Very high | 87.8 | Confident | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 128.2 | 164.1 | -58 | 166.5 | 0 | 0 | 0 | 106.4 | I79 A81 I161 S281 F295 T296 V298 | I79-I279 HydrophobicContact CD1-CD1 3.85Å; I79-I279 HydrophobicContact CG1-CD1 3.74Å; A81-I279 HydrophobicContact CB-CG2 3.96Å; I161-I279 HydrophobicContact CB-CD1 4.11Å; I161-I279 HydrophobicContact CD1-CD1 3.78Å; I161-I279 HydrophobicContact CG1-CD1 3.57Å; I279-S281 PolarHBondContact O-N 3.15Å; I279-F295 CarbonylContact O-C 3.57Å; I279-F295 WeakPolarHBondContact O-CA 3.48Å; I279-T296 PolarHBondContact N-O 2.98Å; I279-T296 VanDerWaalsContact N-O 3.16Å; I279-T296 PolarHBondContact O-N 3.04Å; I279-V298 HydrophobicContact CD1-CG2 3.98Å; I279-V298 HydrophobicContact CG1-CG2 3.71Å |
| 280 | V | 95.4 | Very high | 87.2 | Confident | 3 Ų | 3 | 40.6 Ų | 40.6 | 2% | 0.018 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.7 | 113.6 | 177.7 | 176.7 | 0 | 0 | 0 | 0 | 109.1 | V257 D261 G263 G264 F295 | V257-V280 HydrophobicContact CB-CG1 4.23Å; V257-V280 HydrophobicContact CB-CG2 4.5Å; V257-V280 HydrophobicContact CG1-CG2 4.3Å; V257-V280 HydrophobicContact CG2-CG1 3.68Å; D261-V280 HydrophobicContact CB-CG1 4.27Å; D261-V280 HydrophobicContact CB-CG2 4.3Å; D261-V280 VanDerWaalsContact O-CB 3.27Å; D261-V280 WeakPolarHBondContact O-CB 3.4Å; G263-V280 PolarHBondContact N-O 2.74Å; G264-V280 WeakPolarHBondContact O-CG2 3.38Å; G264-V280 PolarHBondContact O-N 2.98Å; V280-F295 HydrophobicContact CB-CE1 4.36Å; V280-F295 HydrophobicContact CG2-CD1 4.11Å; V280-F295 HydrophobicContact CG2-CE1 3.58Å |
| 281 | S | 93 | Very high | 86.9 | Confident | 7 Ų | 7 | 40.8 Ų | 40.8 | 5% | 0.049 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | -58.9 | -177.5 | 177.6 | 0 | 0 | 0 | 0 | 111 | H83 D160 I279 I294 | H83-S281 PolarHBondContact CE1-O 3.28Å; D160-S281 WeakPolarHBondContact OD2-CA 3.24Å; D160-S281 VanDerWaalsContact OD2-CB 3.23Å; D160-S281 WeakPolarHBondContact OD2-CB 3.4Å; D160-S281 PolarHBondContact OD2-OG 2.84Å; I279-S281 PolarHBondContact O-N 3.15Å; S281-I294 PolarHBondContact N-O 3.26Å |
| 282 | A | 88.2 | Confident | 86.9 | Confident | 15 Ų | 15 | 33.1 Ų | 33.1 | 12% | 0.124 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 166.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | L25 L157 I294 | L25-A282 HydrophobicContact CD1-CB 4.22Å; L157-A282 HydrophobicContact CD1-CB 4.28Å; L157-A282 HydrophobicContact CD2-CB 3.49Å; L157-A282 VanDerWaalsContact CD2-CB 3.49Å; A282-I294 HydrophobicContact CB-CB 4.37Å; A282-I294 HydrophobicContact CB-CD1 4.37Å; A282-I294 PolarHBondContact N-O 3Å; A282-I294 VanDerWaalsContact N-O 3.12Å; A282-I294 PolarHBondContact O-N 2.96Å |
| 283 | T | 81.9 | Confident | 86.9 | Confident | 13 Ų | 13 | 30.4 Ų | 30.4 | 8% | 0.08 | 15% | 0.147 | C | C | . | . | trans | -155.7 | 169.8 | 172 | -175.5 | 0 | 0 | 0 | 0 | 109 | S285 P288 | T283-S285 PolarHBondContact O-N 3.09Å; T283-P288 HydrophobicContact CG2-CB 3.61Å; T283-P288 WeakPolarHBondContact OG1-CB 3.28Å | ||
| 284 | H | 79.3 | Confident | 86.9 | Confident | 34 Ų | 34 | 24.6 Ų | 24.6 | 16% | 0.157 | 12% | 0.12 | C | C | . | . | trans | -59.7 | 123.5 | 175.4 | -168.3 | -54.4 | 0 | 0 | 0 | 110.9 | Y234 K286 L287 P288 Y291 | Y234-H284 HydrophobicContact CE1-CB 3.89Å; Y234-H284 PolarHBondContact OH-N 3.1Å; Y234-H284 VanDerWaalsContact OH-N 3.14Å; H284-K286 PolarHBondContact ND1-N 3.02Å; H284-K286 VanDerWaalsContact ND1-N 3.13Å; H284-K286 PolarHBondContact O-N 3.02Å; H284-L287 PolarHBondContact ND1-N 3.01Å; H284-P288 WeakPolarHBondContact O-CB 3Å; H284-P288 VanDerWaalsContact O-CD 3.27Å; H284-P288 WeakPolarHBondContact O-CD 3.45Å; H284-Y291 HydrophobicContact CB-CD1 4.31Å; H284-Y291 HydrophobicContact CB-CD2 3.8Å; H284-Y291 HydrophobicContact CB-CG 3.63Å; H284-Y291 AromaticContact CD2-CD1 3.74Å; H284-Y291 AromaticContact CD2-CD2 3.55Å; H284-Y291 AromaticContact CD2-CE1 3.68Å; H284-Y291 AromaticContact CD2-CE2 3.51Å; H284-Y291 AromaticContact CD2-CG 3.68Å; H284-Y291 AromaticContact CD2-CZ 3.58Å; H284-Y291 AromaticContact CG-CD2 3.73Å; H284-Y291 AromaticContact CG-CG 3.91Å | ||
| 285 | S | 69.6 | Low | 86.9 | Confident | 16 Ų | 16 | 19.3 Ų | 19.3 | 11% | 0.112 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -59.2 | -45 | -174.4 | 57.9 | 0 | 0 | 0 | 0 | 113.9 | N26 T283 | N26-S285 VanDerWaalsContact O-CB 3.29Å; N26-S285 WeakPolarHBondContact O-CB 3.5Å; T283-S285 PolarHBondContact O-N 3.09Å |
| 286 | K | 71.7 | Confident | 86.9 | Confident | 107 Ų | 107 | 18.2 Ų | 18.2 | 47% | 0.465 | 9% | 0.094 | S | C | . | . | S | Bend | trans | -82.6 | -40.8 | -178.5 | -63.9 | 174.5 | 179.6 | 163.6 | 0 | 114.2 | E23 K29 H284 P288 | E23-K286 IonicContact OE1-NZ 3.76Å; E23-K286 PolarHBondContact OE1-NZ 3.29Å; E23-K286 VanDerWaalsContact OE2-CE 3.31Å; E23-K286 WeakPolarHBondContact OE2-CE 2.9Å; E23-K286 IonicContact OE2-NZ 2.68Å; E23-K286 PolarHBondContact OE2-NZ 3.42Å; K29-K286 PolarHBondContact NZ-O 3.33Å; H284-K286 PolarHBondContact ND1-N 3.02Å; H284-K286 VanDerWaalsContact ND1-N 3.13Å; H284-K286 PolarHBondContact O-N 3.02Å; K286-P288 VanDerWaalsContact C-CD 3.48Å |
| 287 | L | 75.2 | Confident | 86.8 | Confident | 81 Ų | 81 | 18.9 Ų | 18.9 | 42% | 0.424 | 10% | 0.097 | S | C | . | . | trans | -129.9 | 55.8 | -168.5 | -61 | 175.2 | 0 | 0 | 0 | 113 | H284 A289 D290 Y291 | H284-L287 PolarHBondContact ND1-N 3.01Å; L287-A289 PolarHBondContact O-N 3.28Å; L287-D290 HydrophobicContact CB-CB 4.18Å; L287-D290 PolarHBondContact O-N 3.48Å; L287-Y291 HydrophobicContact CB-CD2 3.96Å; L287-Y291 HydrophobicContact CB-CE2 4.04Å; L287-Y291 HydrophobicContact CD1-CE2 4.16Å; L287-Y291 WeakPolarHBondContact O-CD2 3.48Å; L287-Y291 PolarHBondContact O-N 3.47Å | ||
| 288 | P | 70.8 | Confident | 86.8 | Confident | 3 Ų | 3 | 18.9 Ų | 18.9 | 2% | 0.019 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -13 | -176 | 29.4 | -36.9 | 0 | 0 | 0 | 114.3 | K29 I32 C258 T283 H284 K286 D290 | K29-P288 HydrophobicContact CB-CG 3.53Å; K29-P288 HydrophobicContact CD-CG 4.48Å; I32-P288 HydrophobicContact CD1-CG 4Å; C258-P288 WeakPolarHBondContact SG-CB 3.21Å; C258-P288 WeakPolarHBondContact SG-CG 2.96Å; T283-P288 HydrophobicContact CG2-CB 3.61Å; T283-P288 WeakPolarHBondContact OG1-CB 3.28Å; H284-P288 WeakPolarHBondContact O-CB 3Å; H284-P288 VanDerWaalsContact O-CD 3.27Å; H284-P288 WeakPolarHBondContact O-CD 3.45Å; K286-P288 VanDerWaalsContact C-CD 3.48Å; P288-D290 VanDerWaalsContact C-N 3.28Å |
| 289 | A | 71.5 | Confident | 86.7 | Confident | 14 Ų | 14 | 18.9 Ų | 18.9 | 12% | 0.116 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -28.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | I32 G254 K255 L287 | I32-A289 HydrophobicContact CB-CB 4.27Å; I32-A289 HydrophobicContact CD1-CB 3.48Å; I32-A289 VanDerWaalsContact CD1-CB 3.48Å; I32-A289 HydrophobicContact CG1-CB 4.38Å; I32-A289 HydrophobicContact CG2-CB 3.7Å; G254-A289 PolarHBondContact N-O 2.76Å; K255-A289 PolarHBondContact N-O 2.99Å; K255-A289 VanDerWaalsContact N-O 3.1Å; L287-A289 PolarHBondContact O-N 3.28Å |
| 290 | D | 81.5 | Confident | 86.6 | Confident | 40 Ų | 40 | 22.5 Ų | 22.5 | 21% | 0.214 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.6 | -3.9 | -163.1 | -59 | -41.7 | 0 | 0 | 0 | 111.1 | H251 N252 L287 P288 | H251-D290 CarbonylContact C-O 3.57Å; H251-D290 VanDerWaalsContact CA-O 3.23Å; H251-D290 WeakPolarHBondContact CA-O 3.49Å; H251-D290 PolarHBondContact ND1-O 3.33Å; N252-D290 PolarHBondContact N-O 2.55Å; L287-D290 HydrophobicContact CB-CB 4.18Å; L287-D290 PolarHBondContact O-N 3.48Å; P288-D290 VanDerWaalsContact C-N 3.28Å |
| 291 | Y | 86.8 | Confident | 86.7 | Confident | 44 Ų | 44 | 22.5 Ų | 22.5 | 17% | 0.173 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -125.3 | 143.6 | 178.4 | -75.4 | -101.3 | 0 | 0 | 0 | 110.3 | M233 Y234 Y250 H284 L287 | M233-Y291 WeakPolarHBondContact O-CE1 3.4Å; Y234-Y291 HydrophobicContact CD1-CD1 4.31Å; Y234-Y291 HydrophobicContact CD2-CD1 4.39Å; Y234-Y291 HydrophobicContact CE1-CD1 4.16Å; Y234-Y291 HydrophobicContact CE2-CD1 4.26Å; Y234-Y291 HydrophobicContact CG-CD1 4.44Å; Y250-Y291 CarbonylContact O-C 3.55Å; H284-Y291 HydrophobicContact CB-CD1 4.31Å; H284-Y291 HydrophobicContact CB-CD2 3.8Å; H284-Y291 HydrophobicContact CB-CG 3.63Å; H284-Y291 AromaticContact CD2-CD1 3.74Å; H284-Y291 AromaticContact CD2-CD2 3.55Å; H284-Y291 AromaticContact CD2-CE1 3.68Å; H284-Y291 AromaticContact CD2-CE2 3.51Å; H284-Y291 AromaticContact CD2-CG 3.68Å; H284-Y291 AromaticContact CD2-CZ 3.58Å; H284-Y291 AromaticContact CG-CD2 3.73Å; H284-Y291 AromaticContact CG-CG 3.91Å; L287-Y291 HydrophobicContact CB-CD2 3.96Å; L287-Y291 HydrophobicContact CB-CE2 4.04Å; L287-Y291 HydrophobicContact CD1-CE2 4.16Å; L287-Y291 WeakPolarHBondContact O-CD2 3.48Å; L287-Y291 PolarHBondContact O-N 3.47Å |
| 292 | P | 90.8 | Very high | 86.9 | Confident | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.11 | C | C | . | . | P | Polyproline II helix | trans | -64.4 | 145.1 | 173.4 | 29.2 | -34.7 | 0 | 0 | 0 | 110.4 | L225 M233 Y234 C247 | L225-P292 HydrophobicContact CD1-CB 3.49Å; L225-P292 VanDerWaalsContact CD1-CB 3.49Å; L225-P292 HydrophobicContact CD1-CG 3.68Å; M233-P292 HydrophobicContact SD-CG 3.89Å; Y234-P292 HydrophobicContact CE2-CG 4.19Å; Y234-P292 WeakPolarHBondContact CE2-O 3.46Å; Y234-P292 PolarHBondContact OH-O 3.37Å; C247-P292 HydrophobicContact CB-CB 4.28Å |
| 293 | A | 91.7 | Very high | 87.2 | Confident | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.008 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 151.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | C247 A248 V257 F295 | C247-A293 CarbonylContact C-O 3.57Å; C247-A293 WeakPolarHBondContact CA-O 3.32Å; A248-A293 PolarHBondContact N-O 3.37Å; A248-A293 PolarHBondContact O-N 2.65Å; V257-A293 HydrophobicContact CB-CB 4.29Å; V257-A293 HydrophobicContact CG1-CB 4.12Å; V257-A293 HydrophobicContact CG2-CB 3.28Å; A293-F295 HydrophobicContact CB-CD2 4.41Å; A293-F295 HydrophobicContact CB-CE2 3.55Å; A293-F295 HydrophobicContact CB-CZ 3.79Å; A293-F295 WeakPolarHBondContact O-CD2 3.22Å; A293-F295 WeakPolarHBondContact O-CE2 3.16Å |
| 294 | I | 92.9 | Very high | 88 | Confident | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 133 | 176.9 | -58.3 | 162.7 | 0 | 0 | 0 | 108.1 | L157 I238 L240 E245 S281 A282 | L157-I294 HydrophobicContact CD1-CD1 3.78Å; L157-I294 HydrophobicContact CD1-CG2 4.48Å; I238-I294 HydrophobicContact CD1-CD1 3.84Å; I238-I294 HydrophobicContact CD1-CG1 4.46Å; I238-I294 HydrophobicContact CG2-CD1 4.33Å; L240-I294 HydrophobicContact CD2-CD1 3.94Å; L240-I294 HydrophobicContact CD2-CG1 4.09Å; L240-I294 HydrophobicContact CD2-CG2 3.73Å; E245-I294 HydrophobicContact CB-CG2 4.4Å; S281-I294 PolarHBondContact N-O 3.26Å; A282-I294 HydrophobicContact CB-CB 4.37Å; A282-I294 HydrophobicContact CB-CD1 4.37Å; A282-I294 PolarHBondContact N-O 3Å; A282-I294 VanDerWaalsContact N-O 3.12Å; A282-I294 PolarHBondContact O-N 2.96Å |
| 295 | F | 95.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 141.1 | -178 | -60.6 | -97.1 | 0 | 0 | 0 | 110.5 | L222 E245 F246 A248 V257 L266 I279 V280 A293 | L222-F295 HydrophobicContact CD1-CZ 4.03Å; E245-F295 VanDerWaalsContact CA-O 3.31Å; E245-F295 WeakPolarHBondContact CA-O 3.47Å; F246-F295 HydrophobicContact CD1-CB 4.23Å; F246-F295 HydrophobicContact CE1-CB 3.76Å; F246-F295 HydrophobicContact CE2-CB 4.13Å; F246-F295 HydrophobicContact CE2-CD2 4.33Å; F246-F295 HydrophobicContact CE2-CG 4.39Å; F246-F295 HydrophobicContact CZ-CB 3.73Å; F246-F295 HydrophobicContact CZ-CG 4.28Å; F246-F295 PolarHBondContact N-O 3.4Å; F246-F295 PolarHBondContact O-N 3.1Å; A248-F295 HydrophobicContact CB-CD2 4.09Å; A248-F295 HydrophobicContact CB-CE2 3.64Å; A248-F295 HydrophobicContact CB-CZ 4.42Å; V257-F295 HydrophobicContact CG1-CE1 4.33Å; V257-F295 HydrophobicContact CG1-CZ 3.88Å; L266-F295 HydrophobicContact CB-CD1 3.68Å; L266-F295 HydrophobicContact CB-CE1 3.63Å; L266-F295 HydrophobicContact CB-CZ 4.44Å; L266-F295 HydrophobicContact CD1-CE1 3.92Å; L266-F295 HydrophobicContact CD1-CZ 3.92Å; L266-F295 HydrophobicContact CD2-CD1 4Å; L266-F295 HydrophobicContact CD2-CD2 4.17Å; L266-F295 HydrophobicContact CD2-CE1 4.05Å; L266-F295 HydrophobicContact CD2-CE2 4.23Å; L266-F295 HydrophobicContact CD2-CG 4.06Å; L266-F295 HydrophobicContact CD2-CZ 4.17Å; L266-F295 HydrophobicContact CG-CD1 4.3Å; L266-F295 HydrophobicContact CG-CE1 4.07Å; L266-F295 HydrophobicContact CG-CZ 4.41Å; I279-F295 CarbonylContact O-C 3.57Å; I279-F295 WeakPolarHBondContact O-CA 3.48Å; V280-F295 HydrophobicContact CB-CE1 4.36Å; V280-F295 HydrophobicContact CG2-CD1 4.11Å; V280-F295 HydrophobicContact CG2-CE1 3.58Å; A293-F295 HydrophobicContact CB-CD2 4.41Å; A293-F295 HydrophobicContact CB-CE2 3.55Å; A293-F295 HydrophobicContact CB-CZ 3.79Å; A293-F295 WeakPolarHBondContact O-CD2 3.22Å; A293-F295 WeakPolarHBondContact O-CE2 3.16Å |
| 296 | T | 96.4 | Very high | 90.1 | Very high | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.006 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 127.9 | 167.1 | -48.7 | 0 | 0 | 0 | 0 | 109.5 | D160 I161 G278 I279 V298 F301 | D160-T296 PolarHBondContact O-OG1 3.07Å; D160-T296 VanDerWaalsContact O-OG1 3.07Å; I161-T296 HydrophobicContact CB-CG2 4.31Å; G278-T296 VanDerWaalsContact CA-O 3.27Å; G278-T296 WeakPolarHBondContact CA-O 3.43Å; I279-T296 PolarHBondContact N-O 2.98Å; I279-T296 VanDerWaalsContact N-O 3.16Å; I279-T296 PolarHBondContact O-N 3.04Å; T296-V298 PolarHBondContact O-N 3.5Å; T296-F301 HydrophobicContact CG2-CD2 3.65Å; T296-F301 HydrophobicContact CG2-CE2 3.41Å; T296-F301 VanDerWaalsContact CG2-CE2 3.41Å; T296-F301 HydrophobicContact CG2-CZ 4.4Å |
| 297 | R | 96.5 | Very high | 91.3 | Very high | 15 Ų | 15 | 26.6 Ų | 26.6 | 6% | 0.057 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 102 | -178.7 | -169.6 | -175.2 | -63.1 | -84.7 | 8.4 | 111.9 | G189 E190 W192 P193 E242 E243 H244 F246 S299 Y300 F301 | G189-R297 WeakPolarHBondContact O-CD 3.32Å; E190-R297 PolarHBondContact O-NE 3.3Å; E190-R297 PolarHBondContact O-NH1 3.33Å; W192-R297 WeakPolarHBondContact O-CG 3.34Å; W192-R297 PolarHBondContact O-NH1 3.45Å; P193-R297 PolarHBondContact O-NH1 3.49Å; E242-R297 PolarHBondContact O-NE 2.77Å; E242-R297 VanDerWaalsContact O-NE 3.14Å; E242-R297 PolarHBondContact O-NH2 3.38Å; E243-R297 WeakPolarHBondContact O-CD 3.39Å; H244-R297 WeakPolarHBondContact O-CB 3.45Å; H244-R297 PolarHBondContact O-N 2.92Å; F246-R297 HydrophobicContact CD1-CB 3.91Å; F246-R297 HydrophobicContact CD1-CG 4.18Å; F246-R297 HydrophobicContact CE1-CB 4.27Å; F246-R297 HydrophobicContact CE1-CG 4.46Å; R297-S299 VanDerWaalsContact C-N 3.33Å; R297-S299 WeakPolarHBondContact CG-OG 3.47Å; R297-S299 PolarHBondContact O-N 3.4Å; R297-Y300 WeakPolarHBondContact O-CB 3.32Å; R297-Y300 PolarHBondContact O-N 3.03Å; R297-F301 WeakPolarHBondContact O-CD2 3.47Å |
| 298 | V | 97.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -68 | -30.3 | -173.3 | 176.6 | 0 | 0 | 0 | 0 | 113.3 | L183 P184 L276 A277 I279 T296 Y300 F301 T302 I305 | L183-V298 HydrophobicContact CD2-CG1 4.02Å; P184-V298 HydrophobicContact CG-CB 4.41Å; P184-V298 HydrophobicContact CG-CG1 4.12Å; L276-V298 HydrophobicContact CD2-CG1 4.1Å; L276-V298 HydrophobicContact CD2-CG2 4.18Å; L276-V298 HydrophobicContact CG-CB 4.41Å; L276-V298 HydrophobicContact CG-CG1 4.19Å; L276-V298 HydrophobicContact CG-CG2 4Å; L276-V298 WeakPolarHBondContact O-CB 3.45Å; A277-V298 PolarHBondContact O-N 3.25Å; I279-V298 HydrophobicContact CD1-CG2 3.98Å; I279-V298 HydrophobicContact CG1-CG2 3.71Å; T296-V298 PolarHBondContact O-N 3.5Å; V298-Y300 VanDerWaalsContact C-N 3.26Å; V298-Y300 PolarHBondContact O-N 3.2Å; V298-F301 CarbonylContact O-C 3.53Å; V298-F301 PolarHBondContact O-N 2.97Å; V298-F301 VanDerWaalsContact O-N 3.1Å; V298-T302 PolarHBondContact O-N 3.03Å; V298-T302 PolarHBondContact O-OG1 2.8Å; V298-I305 HydrophobicContact CG1-CD1 3.95Å |
| 299 | S | 96.7 | Very high | 93.7 | Very high | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.007 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -59.8 | -35.3 | 176.2 | 48.4 | 0 | 0 | 0 | 0 | 112.9 | G189 W192 R297 T302 | G189-S299 CarbonylContact O-C 3.52Å; G189-S299 WeakPolarHBondContact O-CB 3.46Å; G189-S299 PolarHBondContact O-OG 3.05Å; W192-S299 PolarHBondContact O-OG 3.24Å; R297-S299 VanDerWaalsContact C-N 3.33Å; R297-S299 WeakPolarHBondContact CG-OG 3.47Å; R297-S299 PolarHBondContact O-N 3.4Å; S299-T302 PolarHBondContact O-OG1 3.35Å |
| 300 | Y | 96.2 | Very high | 94.8 | Very high | 76 Ų | 76 | 30.9 Ų | 30.9 | 30% | 0.298 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -65.6 | -44.4 | 173.6 | -173.9 | -89 | 0 | 0 | 0 | 111.5 | G189 E190 E243 H244 R297 V298 T302 | G189-Y300 PolarHBondContact O-N 3.21Å; G189-Y300 VanDerWaalsContact O-N 3.16Å; E190-Y300 HydrophobicContact CG-CD2 3.67Å; E190-Y300 HydrophobicContact CG-CE2 4.08Å; E243-Y300 HydrophobicContact CB-CD2 4.23Å; E243-Y300 HydrophobicContact CB-CE2 4.08Å; E243-Y300 WeakPolarHBondContact O-CB 3.43Å; E243-Y300 WeakPolarHBondContact O-CD2 3.37Å; H244-Y300 AromaticContact CD2-CD1 3.54Å; H244-Y300 AromaticContact CD2-CD2 3.94Å; H244-Y300 AromaticContact CD2-CE1 3.24Å; H244-Y300 WeakPolarHBondContact CD2-CE1 3.18Å; H244-Y300 AromaticContact CD2-CE2 3.65Å; H244-Y300 AromaticContact CD2-CG 3.88Å; H244-Y300 AromaticContact CD2-CZ 3.29Å; H244-Y300 AromaticContact NE2-CE1 3.38Å; H244-Y300 WeakPolarHBondContact NE2-CE1 3.41Å; H244-Y300 AromaticContact NE2-CE2 3.78Å; H244-Y300 AromaticContact NE2-CZ 3.14Å; H244-Y300 PolarHBondContact NE2-OH 3.34Å; H244-Y300 VanDerWaalsContact NE2-OH 3.09Å; R297-Y300 WeakPolarHBondContact O-CB 3.32Å; R297-Y300 PolarHBondContact O-N 3.03Å; V298-Y300 VanDerWaalsContact C-N 3.26Å; V298-Y300 PolarHBondContact O-N 3.2Å; Y300-T302 VanDerWaalsContact C-N 3.3Å; Y300-T302 PolarHBondContact O-N 3.02Å |
| 301 | F | 97 | Very high | 95.5 | Very high | 3 Ų | 3 | 35.1 Ų | 35.1 | 1% | 0.013 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -82.6 | -0.3 | -175.3 | -63.4 | -68.8 | 0 | 0 | 0 | 114.8 | H149 Y159 I161 H244 T296 R297 V298 K303 W304 I305 | H149-F301 AromaticContact CD2-CD1 4Å; Y159-F301 AromaticContact CD1-CE1 3.49Å; Y159-F301 HydrophobicContact CD1-CE1 3.49Å; Y159-F301 VanDerWaalsContact CD1-CE1 3.49Å; Y159-F301 AromaticContact CD1-CZ 3.9Å; Y159-F301 HydrophobicContact CD1-CZ 3.9Å; Y159-F301 AromaticContact CE1-CE1 3.96Å; Y159-F301 HydrophobicContact CE1-CE1 3.96Å; Y159-F301 HydrophobicContact CE1-CZ 4.4Å; Y159-F301 HydrophobicContact CG-CE1 4.46Å; I161-F301 HydrophobicContact CD1-CB 3.82Å; I161-F301 HydrophobicContact CD1-CG 4.25Å; I161-F301 HydrophobicContact CG2-CD1 4.27Å; I161-F301 HydrophobicContact CG2-CG 4.23Å; H244-F301 HydrophobicContact CB-CE2 4.29Å; H244-F301 HydrophobicContact CB-CZ 4.04Å; T296-F301 HydrophobicContact CG2-CD2 3.65Å; T296-F301 HydrophobicContact CG2-CE2 3.41Å; T296-F301 VanDerWaalsContact CG2-CE2 3.41Å; T296-F301 HydrophobicContact CG2-CZ 4.4Å; R297-F301 WeakPolarHBondContact O-CD2 3.47Å; V298-F301 CarbonylContact O-C 3.53Å; V298-F301 PolarHBondContact O-N 2.97Å; V298-F301 VanDerWaalsContact O-N 3.1Å; F301-K303 PolarHBondContact O-N 3.38Å; F301-K303 VanDerWaalsContact O-N 3.13Å; F301-W304 PolarHBondContact O-N 3.32Å; F301-I305 HydrophobicContact CB-CD1 4.35Å; F301-I305 WeakPolarHBondContact O-CG1 3.33Å; F301-I305 PolarHBondContact O-N 2.97Å |
| 302 | T | 96.6 | Very high | 95.9 | Very high | 6 Ų | 6 | 34.9 Ų | 34.9 | 4% | 0.037 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -56.7 | -35.1 | -176 | -66.1 | 0 | 0 | 0 | 0 | 112.7 | K186 V298 S299 Y300 N306 | K186-T302 HydrophobicContact CB-CG2 4.1Å; V298-T302 PolarHBondContact O-N 3.03Å; V298-T302 PolarHBondContact O-OG1 2.8Å; S299-T302 PolarHBondContact O-OG1 3.35Å; Y300-T302 VanDerWaalsContact C-N 3.3Å; Y300-T302 PolarHBondContact O-N 3.02Å; T302-N306 WeakPolarHBondContact CG2-ND2 3.19Å; T302-N306 WeakPolarHBondContact O-CB 3.28Å; T302-N306 PolarHBondContact O-N 3.24Å; T302-N306 VanDerWaalsContact O-N 3.13Å; T302-N306 PolarHBondContact O-ND2 3.5Å |
| 303 | K | 95.6 | Very high | 95.5 | Very high | 140 Ų | 140 | 36.5 Ų | 36.5 | 61% | 0.609 | 17% | 0.173 | S | C | * | . | H | α-helix | trans | -63.9 | -51.4 | 174.4 | -176.4 | -177.2 | 178.9 | -61.6 | 0 | 111.6 | F301 I305 N306 D307 | F301-K303 PolarHBondContact O-N 3.38Å; F301-K303 VanDerWaalsContact O-N 3.13Å; K303-I305 VanDerWaalsContact C-N 3.33Å; K303-I305 PolarHBondContact O-N 3.45Å; K303-N306 PolarHBondContact O-N 3.26Å; K303-D307 IonicContact NZ-OD2 2.67Å; K303-D307 PolarHBondContact NZ-OD2 2.96Å; K303-D307 WeakPolarHBondContact O-CB 3.36Å; K303-D307 VanDerWaalsContact O-CG 3.27Å; K303-D307 PolarHBondContact O-N 2.92Å |
| 304 | W | 97.3 | Very high | 94.2 | Very high | 35 Ų | 35 | 46.4 Ų | 46.4 | 13% | 0.133 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.4 | -44.6 | 179.4 | 171.8 | 82.3 | 0 | 0 | 0 | 111.5 | H149 I161 L163 F301 N306 D307 V308 | H149-W304 HydrophobicContact CB-CZ2 4.21Å; H149-W304 AromaticContact CD2-CD1 3.64Å; H149-W304 AromaticContact CD2-CD2 3.62Å; H149-W304 AromaticContact CD2-CE2 3.72Å; H149-W304 AromaticContact CD2-CG 3.59Å; H149-W304 AromaticContact CD2-NE1 3.71Å; H149-W304 AromaticContact NE2-CD1 3.86Å; H149-W304 AromaticContact NE2-CG 3.96Å; I161-W304 HydrophobicContact CB-CZ3 4.39Å; I161-W304 HydrophobicContact CD1-CE3 4.02Å; I161-W304 HydrophobicContact CD1-CZ3 3.66Å; I161-W304 HydrophobicContact CG1-CE3 4.44Å; I161-W304 HydrophobicContact CG1-CH2 4.36Å; I161-W304 HydrophobicContact CG1-CZ3 3.67Å; I161-W304 HydrophobicContact CG2-CE3 4.2Å; I161-W304 HydrophobicContact CG2-CH2 4.31Å; I161-W304 HydrophobicContact CG2-CZ3 3.88Å; L163-W304 HydrophobicContact CD1-CH2 4.05Å; L163-W304 HydrophobicContact CD1-CZ3 3.93Å; L163-W304 HydrophobicContact CG-CH2 3.88Å; L163-W304 HydrophobicContact CG-CZ3 3.86Å; F301-W304 PolarHBondContact O-N 3.32Å; W304-N306 VanDerWaalsContact C-N 3.34Å; W304-N306 PolarHBondContact O-N 3.08Å; W304-D307 PolarHBondContact O-N 3.34Å; W304-V308 HydrophobicContact CD2-CG2 4.21Å; W304-V308 HydrophobicContact CG-CG2 4.49Å; W304-V308 HydrophobicContact CZ2-CG2 3.97Å; W304-V308 WeakPolarHBondContact O-CG2 3.48Å; W304-V308 PolarHBondContact O-N 2.81Å |
| 305 | I | 97.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -56.5 | -50.2 | 177.9 | -63.7 | 164.8 | 0 | 0 | 0 | 110.5 | I73 I79 I161 L163 L183 V298 F301 K303 D307 V308 I309 | I73-I305 HydrophobicContact CD1-CG2 3.72Å; I79-I305 HydrophobicContact CD1-CD1 3.69Å; I79-I305 HydrophobicContact CD1-CG1 4.34Å; I161-I305 HydrophobicContact CD1-CD1 3.89Å; I161-I305 HydrophobicContact CD1-CG1 3.95Å; L163-I305 HydrophobicContact CD1-CG2 4.17Å; L163-I305 HydrophobicContact CD2-CG2 4.34Å; L183-I305 HydrophobicContact CD1-CB 4.39Å; L183-I305 HydrophobicContact CD1-CG2 3.66Å; L183-I305 HydrophobicContact CD2-CD1 4.14Å; V298-I305 HydrophobicContact CG1-CD1 3.95Å; F301-I305 HydrophobicContact CB-CD1 4.35Å; F301-I305 WeakPolarHBondContact O-CG1 3.33Å; F301-I305 PolarHBondContact O-N 2.97Å; K303-I305 VanDerWaalsContact C-N 3.33Å; K303-I305 PolarHBondContact O-N 3.45Å; I305-D307 PolarHBondContact O-N 3.48Å; I305-V308 PolarHBondContact O-N 3.31Å; I305-I309 HydrophobicContact CG2-CD1 3.77Å; I305-I309 VanDerWaalsContact O-CG1 3.27Å; I305-I309 WeakPolarHBondContact O-CG1 3.38Å; I305-I309 PolarHBondContact O-N 3.49Å |
| 306 | N | 96.8 | Very high | 90 | Very high | 69 Ų | 69 | 60.4 Ų | 60.4 | 37% | 0.369 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -66.5 | -37.3 | -179 | -75.6 | -51 | 0 | 0 | 0 | 112.8 | T302 K303 W304 R310 | T302-N306 WeakPolarHBondContact CG2-ND2 3.19Å; T302-N306 WeakPolarHBondContact O-CB 3.28Å; T302-N306 PolarHBondContact O-N 3.24Å; T302-N306 VanDerWaalsContact O-N 3.13Å; T302-N306 PolarHBondContact O-ND2 3.5Å; K303-N306 PolarHBondContact O-N 3.26Å; W304-N306 VanDerWaalsContact C-N 3.34Å; W304-N306 PolarHBondContact O-N 3.08Å; N306-R310 VanDerWaalsContact O-CB 3.25Å; N306-R310 WeakPolarHBondContact O-CB 3.48Å; N306-R310 PolarHBondContact O-N 2.86Å |
| 307 | D | 96.8 | Very high | 87.6 | Confident | 29 Ų | 29 | 67.5 Ų | 67.5 | 16% | 0.155 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.8 | -48.6 | 177.2 | -72 | -25.7 | 0 | 0 | 0 | 110.9 | K303 W304 I305 I309 R310 E311 | K303-D307 IonicContact NZ-OD2 2.67Å; K303-D307 PolarHBondContact NZ-OD2 2.96Å; K303-D307 WeakPolarHBondContact O-CB 3.36Å; K303-D307 VanDerWaalsContact O-CG 3.27Å; K303-D307 PolarHBondContact O-N 2.92Å; W304-D307 PolarHBondContact O-N 3.34Å; I305-D307 PolarHBondContact O-N 3.48Å; D307-I309 PolarHBondContact O-N 2.87Å; D307-R310 PolarHBondContact O-N 3.34Å; D307-R310 IonicContact OD1-CZ 2.83Å; D307-R310 IonicContact OD1-NH1 3.51Å; D307-R310 PolarHBondContact OD1-NH1 2.88Å; D307-R310 IonicContact OD1-NH2 3.62Å; D307-R310 PolarHBondContact OD1-NH2 3.17Å; D307-E311 WeakPolarHBondContact O-CB 3.41Å; D307-E311 WeakPolarHBondContact O-CG 3.41Å; D307-E311 PolarHBondContact O-N 3.46Å |
| 308 | V | 97.9 | Very high | 85 | Confident | 13 Ų | 13 | 72.4 Ų | 72.4 | 8% | 0.079 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -58.8 | -46.7 | 176.4 | 172.9 | 0 | 0 | 0 | 0 | 111.2 | W77 F147 L163 W304 I305 R310 E311 N312 | W77-V308 HydrophobicContact CH2-CG1 4.09Å; W77-V308 HydrophobicContact CZ3-CG1 3.95Å; F147-V308 HydrophobicContact CB-CG1 3.87Å; F147-V308 HydrophobicContact CD1-CG1 3.96Å; F147-V308 HydrophobicContact CD2-CG1 3.95Å; F147-V308 HydrophobicContact CE2-CG1 4.5Å; F147-V308 HydrophobicContact CG-CG1 3.65Å; L163-V308 HydrophobicContact CD1-CB 3.91Å; L163-V308 HydrophobicContact CD1-CG1 3.78Å; W304-V308 HydrophobicContact CD2-CG2 4.21Å; W304-V308 HydrophobicContact CG-CG2 4.49Å; W304-V308 HydrophobicContact CZ2-CG2 3.97Å; W304-V308 WeakPolarHBondContact O-CG2 3.48Å; W304-V308 PolarHBondContact O-N 2.81Å; I305-V308 PolarHBondContact O-N 3.31Å; V308-R310 PolarHBondContact O-N 3.31Å; V308-E311 PolarHBondContact O-N 3.46Å; V308-N312 WeakPolarHBondContact O-CB 3.26Å; V308-N312 PolarHBondContact O-N 2.99Å; V308-N312 VanDerWaalsContact O-N 3.09Å; V308-N312 PolarHBondContact O-ND2 3.42Å |
| 309 | I | 97.1 | Very high | 82.3 | Confident | 23 Ų | 23 | 79.2 Ų | 79.2 | 12% | 0.118 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -62.9 | -43.6 | 178.9 | -68.8 | 171 | 0 | 0 | 0 | 111 | I73 K74 W77 L163 I305 D307 G313 | I73-I309 HydrophobicContact CD1-CD1 3.89Å; K74-I309 HydrophobicContact CG-CD1 4.14Å; W77-I309 HydrophobicContact CB-CD1 4.49Å; W77-I309 HydrophobicContact CD2-CD1 4.44Å; W77-I309 HydrophobicContact CD2-CG1 3.7Å; W77-I309 HydrophobicContact CE3-CG1 3.93Å; W77-I309 HydrophobicContact CG-CD1 4.3Å; W77-I309 HydrophobicContact CG-CG1 4.02Å; W77-I309 HydrophobicContact CZ2-CG1 4.38Å; W77-I309 HydrophobicContact CZ3-CG1 4.34Å; L163-I309 HydrophobicContact CD1-CG1 4.5Å; I305-I309 HydrophobicContact CG2-CD1 3.77Å; I305-I309 VanDerWaalsContact O-CG1 3.27Å; I305-I309 WeakPolarHBondContact O-CG1 3.38Å; I305-I309 PolarHBondContact O-N 3.49Å; D307-I309 PolarHBondContact O-N 2.87Å; I309-G313 VanDerWaalsContact O-CA 3.26Å; I309-G313 WeakPolarHBondContact O-CA 3.46Å; I309-G313 PolarHBondContact O-N 3.34Å |
| 310 | R | 95.7 | Very high | 79.5 | Confident | 152 Ų | 152 | 81.6 Ų | 81.6 | 57% | 0.574 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -62.9 | -45.7 | 179.9 | -179.8 | -172 | 63.9 | -124.8 | -7.7 | 111.4 | N306 D307 V308 N312 | N306-R310 VanDerWaalsContact O-CB 3.25Å; N306-R310 WeakPolarHBondContact O-CB 3.48Å; N306-R310 PolarHBondContact O-N 2.86Å; D307-R310 PolarHBondContact O-N 3.34Å; D307-R310 IonicContact OD1-CZ 2.83Å; D307-R310 IonicContact OD1-NH1 3.51Å; D307-R310 PolarHBondContact OD1-NH1 2.88Å; D307-R310 IonicContact OD1-NH2 3.62Å; D307-R310 PolarHBondContact OD1-NH2 3.17Å; V308-R310 PolarHBondContact O-N 3.31Å; R310-N312 VanDerWaalsContact C-N 3.32Å; R310-N312 PolarHBondContact O-N 3.01Å |
| 311 | E | 95.8 | Very high | 77.1 | Confident | 129 Ų | 129 | 85.3 Ų | 85.3 | 60% | 0.603 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -71.1 | -27.9 | -175.5 | -73.6 | 160.1 | -156.8 | 0 | 0 | 112.6 | D307 V308 | D307-E311 WeakPolarHBondContact O-CB 3.41Å; D307-E311 WeakPolarHBondContact O-CG 3.41Å; D307-E311 PolarHBondContact O-N 3.46Å; V308-E311 PolarHBondContact O-N 3.46Å |
| 312 | N | 95 | Very high | 74.5 | Confident | 38 Ų | 38 | 92.8 Ų | 92.8 | 20% | 0.203 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -116.2 | -9.6 | -172.3 | -62.8 | -76.6 | 0 | 0 | 0 | 114.5 | W77 F147 K165 V308 R310 | W77-N312 HydrophobicContact CH2-CB 3.78Å; W77-N312 HydrophobicContact CZ2-CB 4.02Å; F147-N312 HydrophobicContact CE1-CB 4.33Å; F147-N312 HydrophobicContact CE2-CB 4.34Å; F147-N312 HydrophobicContact CZ-CB 3.73Å; F147-N312 VanDerWaalsContact CZ-CG 3.4Å; K165-N312 WeakPolarHBondContact CE-O 3.27Å; K165-N312 PolarHBondContact NZ-O 2.74Å; V308-N312 WeakPolarHBondContact O-CB 3.26Å; V308-N312 PolarHBondContact O-N 2.99Å; V308-N312 VanDerWaalsContact O-N 3.09Å; V308-N312 PolarHBondContact O-ND2 3.42Å; R310-N312 VanDerWaalsContact C-N 3.32Å; R310-N312 PolarHBondContact O-N 3.01Å |
| 313 | G | 82.8 | Confident | 71.7 | Confident | 35 Ų | 35 | 96.6 Ų | 96.6 | 36% | 0.361 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -77.4 | -29.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | I309 K315 | I309-G313 VanDerWaalsContact O-CA 3.26Å; I309-G313 WeakPolarHBondContact O-CA 3.46Å; I309-G313 PolarHBondContact O-N 3.34Å; G313-K315 PolarHBondContact O-N 3.23Å |
| 314 | Y | 64 | Low | 69.1 | Low | 209 Ų | 209 | 98.4 Ų | 98.4 | 82% | 0.82 | 49% | 0.49 | S | S | * | . | trans | -91.4 | 72.6 | -178 | -149.9 | -93.7 | 0 | 0 | 0 | 112.3 | ||||
| 315 | K | 57.6 | Low | 66.2 | Low | 117 Ų | 117 | 103.3 Ų | 103.3 | 51% | 0.509 | 52% | 0.518 | S | S | . | . | trans | -96.4 | 104.4 | 157.4 | -69.8 | -174.4 | -170 | 165 | 0 | 107.6 | E144 E145 G313 K317 | E144-K315 IonicContact OE1-NZ 2.78Å; E144-K315 PolarHBondContact OE1-NZ 2.81Å; E145-K315 IonicContact OE2-NZ 3.7Å; G313-K315 PolarHBondContact O-N 3.23Å; K315-K317 PolarHBondContact O-N 3.03Å | ||
| 316 | K | 41.7 | Very low | 63.3 | Low | 178 Ų | 178 | 112.4 Ų | 112.4 | 77% | 0.774 | 56% | 0.558 | S | S | * | * | trans | -50.9 | 108.1 | 165 | -166.3 | 178 | -173.6 | 179.1 | 0 | 106 | P318 | K316-P318 VanDerWaalsContact O-N 3.16Š| ||
| 317 | K | 46.2 | Very low | 60.6 | Low | 149 Ų | 149 | 116.3 Ų | 116.3 | 65% | 0.648 | 58% | 0.578 | S | S | * | * | trans | -50.6 | 128 | 175 | -78.2 | -175.7 | 177.7 | 178 | 0 | 106.4 | K315 N319 | K315-K317 PolarHBondContact O-N 3.03Å; K317-N319 PolarHBondContact O-N 3.39Å; K317-N319 VanDerWaalsContact O-N 3.12Å | ||
| 318 | P | 42.2 | Very low | 57.7 | Low | 119 Ų | 119 | 124.1 Ų | 124.1 | 77% | 0.773 | 61% | 0.613 | S | S | * | * | trans | -53.3 | 128.9 | 166.5 | 21.9 | -29.2 | 0 | 0 | 0 | 105.9 | K316 G320 | K316-P318 VanDerWaalsContact O-N 3.16Å; P318-G320 PolarHBondContact O-N 3.32Å | ||
| 319 | N | 40.7 | Very low | 55 | Low | 142 Ų | 142 | 135.1 Ų | 135.1 | 76% | 0.759 | 67% | 0.672 | S | S | * | * | trans | -40.3 | 119.5 | 177.6 | -75.7 | -22.9 | 0 | 0 | 0 | 107.7 | K317 | K317-N319 PolarHBondContact O-N 3.39Å; K317-N319 VanDerWaalsContact O-N 3.12Å | ||
| 320 | G | 38.6 | Very low | 52.9 | Low | 52 Ų | 52 | 140.8 Ų | 140.8 | 54% | 0.536 | 70% | 0.7 | S | S | . | * | trans | -50.9 | 154.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | P318 F322 S323 | P318-G320 PolarHBondContact O-N 3.32Å; G320-F322 PolarHBondContact O-N 3.14Å; G320-S323 PolarHBondContact O-N 3.33Å | ||
| 321 | L | 46.5 | Very low | 50.6 | Low | 153 Ų | 153 | 140.2 Ų | 140.2 | 80% | 0.801 | 71% | 0.706 | S | S | * | * | G | 310 helix | trans | -43.1 | -9 | -179.7 | -166.6 | 65.4 | 0 | 0 | 0 | 116.2 | S323 F324 | L321-S323 VanDerWaalsContact C-N 3.27Å; L321-S323 PolarHBondContact O-N 3.45Å; L321-F324 PolarHBondContact O-N 3.39Å |
| 322 | F | 42.6 | Very low | 48.1 | Very low | 161 Ų | 161 | 140.8 Ų | 140.8 | 71% | 0.706 | 71% | 0.712 | S | S | * | * | G | 310 helix | trans | -74.4 | -1.5 | 172.2 | -70.4 | -76.4 | 0 | 0 | 0 | 115.6 | G320 L325 | G320-F322 PolarHBondContact O-N 3.14Å; F322-L325 HydrophobicContact CD1-CD1 3.93Å; F322-L325 HydrophobicContact CE1-CD1 4.07Å |
| 323 | S | 37.8 | Very low | 45.4 | Very low | 86 Ų | 86 | 146.8 Ų | 146.8 | 60% | 0.601 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -74.5 | -15.4 | 163.7 | 91.2 | 0 | 0 | 0 | 0 | 112.9 | G320 L321 L325 | G320-S323 PolarHBondContact O-N 3.33Å; L321-S323 VanDerWaalsContact C-N 3.27Å; L321-S323 PolarHBondContact O-N 3.45Å; S323-L325 VanDerWaalsContact C-N 3.33Å |
| 324 | F | 40 | Very low | 43 | Very low | 177 Ų | 177 | 153.8 Ų | 153.8 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | -12.8 | 177.3 | -127.9 | -88.4 | 0 | 0 | 0 | 113.3 | L321 | L321-F324 PolarHBondContact O-N 3.39Š|
| 325 | L | 36.6 | Very low | 41.6 | Very low | 138 Ų | 138 | 150.1 Ų | 150.1 | 72% | 0.723 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97 | 12.5 | 178.5 | -77.2 | 167.8 | 0 | 0 | 0 | 113.9 | F322 S323 | F322-L325 HydrophobicContact CD1-CD1 3.93Å; F322-L325 HydrophobicContact CE1-CD1 4.07Å; S323-L325 VanDerWaalsContact C-N 3.33Å |
| 326 | K | 35.9 | Very low | 40.5 | Very low | 191 Ų | 191 | 152.5 Ų | 152.5 | 83% | 0.83 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -106.7 | 13.9 | 175.4 | -113 | -174.4 | -177.9 | -174.2 | 0 | 115.6 | ||
| 327 | L | 41.1 | Very low | 40.4 | Very low | 152 Ų | 152 | 150.5 Ų | 150.5 | 80% | 0.796 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -126.1 | 75.1 | 168.9 | -71.7 | 169.9 | 0 | 0 | 0 | 108.7 | ||
| 328 | H | 35.6 | Very low | 39.9 | Very low | 193 Ų | 193 | 150.7 Ų | 150.7 | 89% | 0.894 | 79% | 0.792 | S | S | * | * | trans | -177 | 79.8 | 151.8 | -87.3 | -55.4 | 0 | 0 | 0 | 108 | ||||
| 329 | N | 41.5 | Very low | 39.7 | Very low | 244 Ų | 244 | 153.5 Ų | 153.5 | 100% | 1.305 | 79% | 0.793 | S | S | * | * | trans | -163.6 | 0 | 141.6 | -100.4 | -11.5 | 0 | 0 | 0 | 108.7 |
Retrieved 329 of 329 residues in 128.1 ms
(Link to these results)