| 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 | 38.9 | Very low | 48.4 | Very low | 248 Ų | 248 | 104.4 Ų | 104.4 | 100% | 1.222 | 58% | 0.584 | S | S | * | * | 0 | 140.6 | 0 | -67.5 | 169.3 | 176.4 | 0 | 0 | 107.7 | |||||
| 2 | G | 48.9 | Very low | 48.7 | Very low | 41 Ų | 41 | 102.3 Ų | 102.3 | 42% | 0.423 | 58% | 0.582 | S | S | . | * | trans | -73.4 | 158.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 3 | T | 54.9 | Low | 49.5 | Very low | 83 Ų | 83 | 104 Ų | 104 | 51% | 0.509 | 58% | 0.582 | S | S | . | * | trans | -73.8 | 154.2 | 173.5 | 58.1 | 0 | 0 | 0 | 0 | 110.7 | P5 Q6 I7 | T3-P5 VanDerWaalsContact C-CD 3.43Å; T3-P5 VanDerWaalsContact C-N 3.31Å; T3-Q6 WeakPolarHBondContact O-CB 3.44Å; T3-Q6 PolarHBondContact O-N 3.18Å; T3-Q6 WeakPolarHBondContact OG1-CG 3.4Å; T3-Q6 PolarHBondContact OG1-OE1 2.93Å; T3-I7 PolarHBondContact O-N 3.12Å; T3-I7 VanDerWaalsContact O-N 3.12Å | ||
| 4 | L | 44.5 | Very low | 50.1 | Low | 129 Ų | 129 | 105.1 Ų | 105.1 | 68% | 0.675 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -50.4 | -42.8 | -176.8 | -154.8 | 93.7 | 0 | 0 | 0 | 113.5 | Q6 I7 M8 | L4-Q6 VanDerWaalsContact C-N 3.34Å; L4-Q6 PolarHBondContact O-N 2.96Å; L4-I7 PolarHBondContact O-N 3.41Å; L4-M8 HydrophobicContact CD2-SD 4.09Å; L4-M8 HydrophobicContact CG-SD 4.43Å; L4-M8 WeakPolarHBondContact O-CG 3.38Å; L4-M8 PolarHBondContact O-N 3.41Å |
| 5 | P | 56 | Low | 50.7 | Low | 95 Ų | 95 | 105.7 Ų | 105.7 | 62% | 0.617 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -65.5 | -32.6 | 177 | -21.7 | 35.2 | 0 | 0 | 0 | 113.8 | T3 G9 | T3-P5 VanDerWaalsContact C-CD 3.43Å; T3-P5 VanDerWaalsContact C-N 3.31Å; P5-G9 PolarHBondContact O-N 2.91Å |
| 6 | Q | 46.4 | Very low | 52.4 | Low | 114 Ų | 114 | 105.7 Ų | 105.7 | 53% | 0.533 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -68.4 | -41.7 | 175.9 | -67.2 | 174 | -40.5 | 0 | 0 | 111 | T3 L4 G9 Q10 | T3-Q6 WeakPolarHBondContact O-CB 3.44Å; T3-Q6 PolarHBondContact O-N 3.18Å; T3-Q6 WeakPolarHBondContact OG1-CG 3.4Å; T3-Q6 PolarHBondContact OG1-OE1 2.93Å; L4-Q6 VanDerWaalsContact C-N 3.34Å; L4-Q6 PolarHBondContact O-N 2.96Å; Q6-G9 PolarHBondContact O-N 2.95Å; Q6-Q10 WeakPolarHBondContact O-CB 3.46Å; Q6-Q10 WeakPolarHBondContact O-CG 3.35Å; Q6-Q10 PolarHBondContact O-N 3.3Å |
| 7 | I | 47.1 | Very low | 54.5 | Low | 81 Ų | 81 | 106.9 Ų | 106.9 | 42% | 0.415 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -64 | -48.5 | 176.5 | -61.6 | 171.9 | 0 | 0 | 0 | 110 | T3 L4 G9 Q10 C11 | T3-I7 PolarHBondContact O-N 3.12Å; T3-I7 VanDerWaalsContact O-N 3.12Å; L4-I7 PolarHBondContact O-N 3.41Å; I7-G9 VanDerWaalsContact C-N 3.34Å; I7-G9 PolarHBondContact O-N 2.94Å; I7-Q10 PolarHBondContact O-N 3.05Å; I7-C11 PolarHBondContact O-N 3.45Å; I7-C11 PolarHBondContact O-SG 3.25Å |
| 8 | M | 41.9 | Very low | 56.5 | Low | 123 Ų | 123 | 101.3 Ų | 101.3 | 61% | 0.606 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -60.7 | -41.2 | 176.7 | -69.4 | 179.2 | 72.3 | 0 | 0 | 112.4 | L4 S12 | L4-M8 HydrophobicContact CD2-SD 4.09Å; L4-M8 HydrophobicContact CG-SD 4.43Å; L4-M8 WeakPolarHBondContact O-CG 3.38Å; L4-M8 PolarHBondContact O-N 3.41Å; M8-S12 WeakPolarHBondContact O-CB 3.35Å; M8-S12 PolarHBondContact O-N 3.42Å |
| 9 | G | 49.6 | Very low | 58.4 | Low | 33 Ų | 33 | 98.4 Ų | 98.4 | 34% | 0.34 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63 | -41.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | P5 Q6 I7 S12 Q13 | P5-G9 PolarHBondContact O-N 2.91Å; Q6-G9 PolarHBondContact O-N 2.95Å; I7-G9 VanDerWaalsContact C-N 3.34Å; I7-G9 PolarHBondContact O-N 2.94Å; G9-S12 PolarHBondContact O-N 3.44Å; G9-Q13 WeakPolarHBondContact O-CG 3.42Å; G9-Q13 PolarHBondContact O-N 3.06Å |
| 10 | Q | 52.2 | Low | 60.2 | Low | 129 Ų | 129 | 97.8 Ų | 97.8 | 60% | 0.603 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -67 | -44.8 | 176.5 | -75.6 | 177.8 | -19.4 | 0 | 0 | 112.1 | Q6 I7 S12 Q13 Q14 | Q6-Q10 WeakPolarHBondContact O-CB 3.46Å; Q6-Q10 WeakPolarHBondContact O-CG 3.35Å; Q6-Q10 PolarHBondContact O-N 3.3Å; I7-Q10 PolarHBondContact O-N 3.05Å; Q10-S12 VanDerWaalsContact C-N 3.33Å; Q10-S12 PolarHBondContact O-N 2.93Å; Q10-Q13 PolarHBondContact O-N 3.49Å; Q10-Q14 PolarHBondContact O-N 3.31Å |
| 11 | C | 51.6 | Low | 61.9 | Low | 72 Ų | 72 | 95.8 Ų | 95.8 | 49% | 0.486 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.5 | -41.7 | 174.2 | -69.8 | 0 | 0 | 0 | 0 | 112 | I7 Q14 L15 | I7-C11 PolarHBondContact O-N 3.45Å; I7-C11 PolarHBondContact O-SG 3.25Å; C11-Q14 PolarHBondContact O-N 3.44Å; C11-L15 WeakPolarHBondContact O-CB 3.25Å; C11-L15 PolarHBondContact O-N 3.28Å |
| 12 | S | 52.7 | Low | 64.6 | Low | 80 Ų | 80 | 84 Ų | 84 | 56% | 0.559 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -60.8 | -45.7 | 176.3 | -173.1 | 0 | 0 | 0 | 0 | 112 | M8 G9 Q10 Q14 L15 D16 | M8-S12 WeakPolarHBondContact O-CB 3.35Å; M8-S12 PolarHBondContact O-N 3.42Å; G9-S12 PolarHBondContact O-N 3.44Å; Q10-S12 VanDerWaalsContact C-N 3.33Å; Q10-S12 PolarHBondContact O-N 2.93Å; S12-Q14 VanDerWaalsContact C-N 3.35Å; S12-Q14 PolarHBondContact O-N 2.95Å; S12-L15 PolarHBondContact O-N 3.17Å; S12-D16 PolarHBondContact O-N 3.33Å |
| 13 | Q | 59.1 | Low | 66.9 | Low | 124 Ų | 124 | 85.5 Ų | 85.5 | 58% | 0.579 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -68.1 | -29.3 | 176.5 | -70.9 | -176.9 | 11.1 | 0 | 0 | 113.8 | G9 Q10 K17 | G9-Q13 WeakPolarHBondContact O-CG 3.42Å; G9-Q13 PolarHBondContact O-N 3.06Å; Q10-Q13 PolarHBondContact O-N 3.49Å; Q13-K17 WeakPolarHBondContact O-CD 3.36Å; Q13-K17 VanDerWaalsContact O-CG 3.25Å; Q13-K17 WeakPolarHBondContact O-CG 3.26Å; Q13-K17 PolarHBondContact O-N 3.32Å |
| 14 | Q | 57.6 | Low | 68.8 | Low | 120 Ų | 120 | 87.1 Ų | 87.1 | 56% | 0.561 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -72.6 | -41.9 | 172.2 | -78.6 | -177.9 | -40 | 0 | 0 | 111.8 | Q10 C11 S12 D16 K17 G18 | Q10-Q14 PolarHBondContact O-N 3.31Å; C11-Q14 PolarHBondContact O-N 3.44Å; S12-Q14 VanDerWaalsContact C-N 3.35Å; S12-Q14 PolarHBondContact O-N 2.95Å; Q14-D16 PolarHBondContact O-N 3.34Å; Q14-K17 PolarHBondContact O-N 2.9Å; Q14-G18 PolarHBondContact O-N 3.44Å |
| 15 | L | 59.4 | Low | 71.3 | Confident | 114 Ų | 114 | 82.6 Ų | 82.6 | 60% | 0.597 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -64.4 | -39.3 | -180 | -172.2 | 66.7 | 0 | 0 | 0 | 112.2 | C11 S12 T19 | C11-L15 WeakPolarHBondContact O-CB 3.25Å; C11-L15 PolarHBondContact O-N 3.28Å; S12-L15 PolarHBondContact O-N 3.17Å; L15-T19 VanDerWaalsContact O-CB 3.23Å; L15-T19 WeakPolarHBondContact O-CB 3.23Å; L15-T19 PolarHBondContact O-N 2.86Å; L15-T19 PolarHBondContact O-OG1 3.3Å |
| 16 | D | 77.2 | Confident | 73.2 | Confident | 105 Ų | 105 | 78 Ų | 78 | 56% | 0.561 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -61.2 | -53.3 | 171.6 | 174 | 57.9 | 0 | 0 | 0 | 111.6 | S12 Q14 G18 T19 L20 | S12-D16 PolarHBondContact O-N 3.33Å; Q14-D16 PolarHBondContact O-N 3.34Å; D16-G18 PolarHBondContact O-N 3.15Å; D16-T19 WeakPolarHBondContact O-CB 3.42Å; D16-T19 PolarHBondContact O-N 3.33Å; D16-T19 VanDerWaalsContact O-N 3.11Å; D16-L20 PolarHBondContact O-N 2.89Å |
| 17 | K | 88.4 | Confident | 75.4 | Confident | 127 Ų | 127 | 75.8 Ų | 75.8 | 55% | 0.552 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -58.3 | -45.1 | 178.3 | -73 | 170.2 | -173.9 | 171.5 | 0 | 112.5 | Q13 Q14 T19 L20 V21 | Q13-K17 WeakPolarHBondContact O-CD 3.36Å; Q13-K17 VanDerWaalsContact O-CG 3.25Å; Q13-K17 WeakPolarHBondContact O-CG 3.26Å; Q13-K17 PolarHBondContact O-N 3.32Å; Q14-K17 PolarHBondContact O-N 2.9Å; K17-T19 VanDerWaalsContact C-N 3.33Å; K17-T19 PolarHBondContact O-N 2.91Å; K17-L20 PolarHBondContact O-N 3.1Å; K17-V21 WeakPolarHBondContact O-CB 3.38Å; K17-V21 VanDerWaalsContact O-CG2 3.3Å; K17-V21 WeakPolarHBondContact O-CG2 3.29Å; K17-V21 PolarHBondContact O-N 2.82Å |
| 18 | G | 90.7 | Very high | 77.6 | Confident | 5 Ų | 5 | 76.9 Ų | 76.9 | 5% | 0.052 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -63.7 | -37.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q14 D16 V21 S22 A65 | Q14-G18 PolarHBondContact O-N 3.44Å; D16-G18 PolarHBondContact O-N 3.15Å; G18-V21 PolarHBondContact O-N 2.81Å; G18-S22 WeakPolarHBondContact O-CB 3.31Å; G18-S22 PolarHBondContact O-N 3.49Å; G18-A65 VanDerWaalsContact CA-O 3.26Å; G18-A65 WeakPolarHBondContact CA-O 3.5Å |
| 19 | T | 93.1 | Very high | 79.9 | Confident | 47 Ų | 47 | 71.3 Ų | 71.3 | 29% | 0.288 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -65.8 | -43.8 | 173.2 | -66.9 | 0 | 0 | 0 | 0 | 112.2 | L15 D16 K17 S22 Y23 R76 | L15-T19 VanDerWaalsContact O-CB 3.23Å; L15-T19 WeakPolarHBondContact O-CB 3.23Å; L15-T19 PolarHBondContact O-N 2.86Å; L15-T19 PolarHBondContact O-OG1 3.3Å; D16-T19 WeakPolarHBondContact O-CB 3.42Å; D16-T19 PolarHBondContact O-N 3.33Å; D16-T19 VanDerWaalsContact O-N 3.11Å; K17-T19 VanDerWaalsContact C-N 3.33Å; K17-T19 PolarHBondContact O-N 2.91Å; T19-S22 PolarHBondContact O-N 3.37Å; T19-Y23 HydrophobicContact CG2-CD2 4.24Å; T19-Y23 HydrophobicContact CG2-CE2 4.02Å; T19-Y23 WeakPolarHBondContact O-CD2 3.47Å; T19-Y23 PolarHBondContact O-N 3.45Å; T19-Y23 VanDerWaalsContact O-N 3.1Å; T19-R76 PolarHBondContact O-NH1 3.26Å |
| 20 | L | 93.9 | Very high | 81.6 | Confident | 86 Ų | 86 | 69.7 Ų | 69.7 | 45% | 0.45 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65 | -41.2 | 175.9 | 178.3 | 61.1 | 0 | 0 | 0 | 112.1 | D16 K17 Y23 K24 | D16-L20 PolarHBondContact O-N 2.89Å; K17-L20 PolarHBondContact O-N 3.1Å; L20-Y23 PolarHBondContact O-N 2.88Å; L20-K24 HydrophobicContact CG-CD 4.48Å; L20-K24 WeakPolarHBondContact O-CG 3.16Å; L20-K24 PolarHBondContact O-N 3.25Å; L20-K24 VanDerWaalsContact O-N 3.15Å |
| 21 | V | 95.4 | Very high | 83.1 | Confident | 55 Ų | 55 | 65.5 Ų | 65.5 | 33% | 0.333 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.1 | -43.2 | 175.3 | 169 | 0 | 0 | 0 | 0 | 110.9 | K17 G18 Y23 K24 I25 I66 | K17-V21 WeakPolarHBondContact O-CB 3.38Å; K17-V21 VanDerWaalsContact O-CG2 3.3Å; K17-V21 WeakPolarHBondContact O-CG2 3.29Å; K17-V21 PolarHBondContact O-N 2.82Å; G18-V21 PolarHBondContact O-N 2.81Å; V21-Y23 PolarHBondContact O-N 3.33Å; V21-K24 PolarHBondContact O-N 3.37Å; V21-K24 VanDerWaalsContact O-N 3.15Å; V21-I25 HydrophobicContact CG1-CD1 3.64Å; V21-I25 HydrophobicContact CG1-CG1 4.3Å; V21-I25 WeakPolarHBondContact O-CG1 3.26Å; V21-I25 PolarHBondContact O-N 2.95Å; V21-I66 HydrophobicContact CG1-CD1 3.98Å; V21-I66 HydrophobicContact CG1-CG1 4.22Å; V21-I66 HydrophobicContact CG1-CG2 3.9Å |
| 22 | S | 96.2 | Very high | 84.7 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64 | -35.6 | 177.5 | 173 | 0 | 0 | 0 | 0 | 113 | G18 T19 I25 S26 P67 R76 | G18-S22 WeakPolarHBondContact O-CB 3.31Å; G18-S22 PolarHBondContact O-N 3.49Å; T19-S22 PolarHBondContact O-N 3.37Å; S22-I25 PolarHBondContact O-N 3.1Å; S22-S26 VanDerWaalsContact O-CB 3.25Å; S22-S26 WeakPolarHBondContact O-CB 3.35Å; S22-S26 PolarHBondContact O-N 2.87Å; S22-S26 PolarHBondContact O-OG 3.31Å; S22-P67 WeakPolarHBondContact CB-O 3.45Å; S22-P67 PolarHBondContact OG-O 3.32Å; S22-R76 WeakPolarHBondContact OG-CD 3.17Å; S22-R76 PolarHBondContact OG-NE 2.91Å |
| 23 | Y | 96.4 | Very high | 86.1 | Confident | 74 Ų | 74 | 63.4 Ų | 63.4 | 29% | 0.29 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.4 | -47 | 169.5 | -84.2 | -65.3 | 0 | 0 | 0 | 112 | T19 L20 V21 I25 S26 K27 R76 E79 M80 | T19-Y23 HydrophobicContact CG2-CD2 4.24Å; T19-Y23 HydrophobicContact CG2-CE2 4.02Å; T19-Y23 WeakPolarHBondContact O-CD2 3.47Å; T19-Y23 PolarHBondContact O-N 3.45Å; T19-Y23 VanDerWaalsContact O-N 3.1Å; L20-Y23 PolarHBondContact O-N 2.88Å; V21-Y23 PolarHBondContact O-N 3.33Å; Y23-I25 VanDerWaalsContact C-N 3.31Å; Y23-I25 PolarHBondContact O-N 2.85Å; Y23-S26 PolarHBondContact O-N 3.4Å; Y23-K27 VanDerWaalsContact O-CB 3.27Å; Y23-K27 WeakPolarHBondContact O-CB 3.37Å; Y23-K27 PolarHBondContact O-N 3.5Å; Y23-R76 HydrophobicContact CD1-CB 3.82Å; Y23-R76 HydrophobicContact CD1-CG 3.87Å; Y23-R76 HydrophobicContact CE1-CB 3.77Å; Y23-R76 HydrophobicContact CE1-CG 3.61Å; Y23-R76 VanDerWaalsContact CE2-NH1 3.28Å; Y23-R76 VanDerWaalsContact CG-NH1 3.28Å; Y23-E79 PolarHBondContact OH-OE2 3.11Å; Y23-M80 HydrophobicContact CD1-CE 4.4Å; Y23-M80 HydrophobicContact CD1-CG 4.18Å; Y23-M80 HydrophobicContact CD1-SD 4.14Å |
| 24 | K | 96.3 | Very high | 87.5 | Confident | 117 Ų | 117 | 61.1 Ų | 61.1 | 51% | 0.509 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.5 | -39.1 | 178.3 | -70.1 | 170.7 | -179.4 | 176.2 | 0 | 112.3 | L20 V21 K27 L28 | L20-K24 HydrophobicContact CG-CD 4.48Å; L20-K24 WeakPolarHBondContact O-CG 3.16Å; L20-K24 PolarHBondContact O-N 3.25Å; L20-K24 VanDerWaalsContact O-N 3.15Å; V21-K24 PolarHBondContact O-N 3.37Å; V21-K24 VanDerWaalsContact O-N 3.15Å; K24-K27 WeakPolarHBondContact O-CB 3.32Å; K24-L28 WeakPolarHBondContact O-CG 3.3Å; K24-L28 PolarHBondContact O-N 2.9Å; K24-L28 VanDerWaalsContact O-N 3.12Å |
| 25 | I | 96 | Very high | 88.9 | Confident | 33 Ų | 33 | 57.7 Ų | 57.7 | 17% | 0.169 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -73.3 | -45.4 | 176.6 | -68.1 | 171.8 | 0 | 0 | 0 | 111.1 | V21 S22 Y23 K27 L28 I29 I43 I66 L68 | V21-I25 HydrophobicContact CG1-CD1 3.64Å; V21-I25 HydrophobicContact CG1-CG1 4.3Å; V21-I25 WeakPolarHBondContact O-CG1 3.26Å; V21-I25 PolarHBondContact O-N 2.95Å; S22-I25 PolarHBondContact O-N 3.1Å; Y23-I25 VanDerWaalsContact C-N 3.31Å; Y23-I25 PolarHBondContact O-N 2.85Å; I25-K27 PolarHBondContact O-N 3.09Å; I25-L28 PolarHBondContact O-N 3.41Å; I25-I29 HydrophobicContact CG2-CD1 3.71Å; I25-I29 HydrophobicContact CG2-CG1 4.19Å; I25-I29 WeakPolarHBondContact O-CB 3.4Å; I25-I29 VanDerWaalsContact O-CG1 3.28Å; I25-I29 WeakPolarHBondContact O-CG1 3.3Å; I25-I29 PolarHBondContact O-N 3.35Å; I25-I43 HydrophobicContact CG2-CD1 4.15Å; I25-I43 HydrophobicContact CG2-CG2 4.29Å; I25-I66 HydrophobicContact CD1-CG2 4.34Å; I25-L68 HydrophobicContact CB-CD1 4.27Å; I25-L68 HydrophobicContact CB-CD2 4.05Å; I25-L68 HydrophobicContact CD1-CD1 3.92Å; I25-L68 HydrophobicContact CG2-CD1 3.73Å; I25-L68 HydrophobicContact CG2-CD2 3.71Å; I25-L68 HydrophobicContact CG2-CG 4.41Å |
| 26 | S | 95.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -57 | -37.3 | 175.6 | -57 | 0 | 0 | 0 | 0 | 111.5 | S22 Y23 A30 R76 | S22-S26 VanDerWaalsContact O-CB 3.25Å; S22-S26 WeakPolarHBondContact O-CB 3.35Å; S22-S26 PolarHBondContact O-N 2.87Å; S22-S26 PolarHBondContact O-OG 3.31Å; Y23-S26 PolarHBondContact O-N 3.4Å; S26-A30 WeakPolarHBondContact O-CB 3.42Å; S26-A30 PolarHBondContact O-N 3.19Å; S26-R76 WeakPolarHBondContact OG-CD 3.31Å |
| 27 | K | 92.9 | Very high | 91 | Very high | 67 Ų | 67 | 52 Ų | 52 | 29% | 0.291 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.4 | -50.9 | 171.5 | 173.5 | 176.5 | 170.3 | 171.3 | 0 | 112.1 | Y23 K24 I25 I29 A30 Q31 M80 L305 | Y23-K27 VanDerWaalsContact O-CB 3.27Å; Y23-K27 WeakPolarHBondContact O-CB 3.37Å; Y23-K27 PolarHBondContact O-N 3.5Å; K24-K27 WeakPolarHBondContact O-CB 3.32Å; I25-K27 PolarHBondContact O-N 3.09Å; K27-I29 VanDerWaalsContact C-N 3.33Å; K27-I29 PolarHBondContact O-N 3.27Å; K27-A30 CarbonylContact O-C 3.42Å; K27-A30 WeakPolarHBondContact O-CA 3.44Å; K27-A30 WeakPolarHBondContact O-CB 3.38Å; K27-A30 PolarHBondContact O-N 3.43Å; K27-Q31 HydrophobicContact CG-CG 4.43Å; K27-Q31 WeakPolarHBondContact O-CG 3.35Å; K27-Q31 PolarHBondContact O-N 3.02Å; K27-M80 HydrophobicContact CB-CE 3.92Å; K27-M80 HydrophobicContact CB-SD 3.96Å; K27-L305 VanDerWaalsContact NZ-CD2 3.27Å |
| 28 | L | 94.3 | Very high | 91.2 | Very high | 104 Ų | 104 | 46.7 Ų | 46.7 | 55% | 0.545 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.2 | -40.3 | 176.8 | -71.1 | 169.8 | 0 | 0 | 0 | 112.7 | K24 I25 A30 Q31 T32 | K24-L28 WeakPolarHBondContact O-CG 3.3Å; K24-L28 PolarHBondContact O-N 2.9Å; K24-L28 VanDerWaalsContact O-N 3.12Å; I25-L28 PolarHBondContact O-N 3.41Å; L28-A30 PolarHBondContact O-N 3.18Å; L28-Q31 PolarHBondContact O-N 2.81Å; L28-T32 WeakPolarHBondContact O-CB 3.48Å; L28-T32 WeakPolarHBondContact O-CG2 3.31Å; L28-T32 PolarHBondContact O-N 3.32Å; L28-T32 VanDerWaalsContact O-N 3.15Å; L28-T32 PolarHBondContact O-OG1 2.7Å |
| 29 | I | 89.6 | Confident | 91.3 | Very high | 5 Ų | 5 | 46.5 Ų | 46.5 | 3% | 0.026 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -57.5 | -39.4 | 172 | -69.1 | 169.1 | 0 | 0 | 0 | 110.2 | I25 K27 T32 G33 N34 V38 I43 V73 R312 | I25-I29 HydrophobicContact CG2-CD1 3.71Å; I25-I29 HydrophobicContact CG2-CG1 4.19Å; I25-I29 WeakPolarHBondContact O-CB 3.4Å; I25-I29 VanDerWaalsContact O-CG1 3.28Å; I25-I29 WeakPolarHBondContact O-CG1 3.3Å; I25-I29 PolarHBondContact O-N 3.35Å; K27-I29 VanDerWaalsContact C-N 3.33Å; K27-I29 PolarHBondContact O-N 3.27Å; I29-T32 PolarHBondContact O-OG1 3.1Å; I29-T32 VanDerWaalsContact O-OG1 3.07Å; I29-G33 PolarHBondContact O-N 3.4Å; I29-N34 HydrophobicContact CG2-CB 4.44Å; I29-V38 HydrophobicContact CB-CG1 4.28Å; I29-V38 HydrophobicContact CD1-CG1 3.82Å; I29-V38 HydrophobicContact CG1-CG1 3.71Å; I29-V38 HydrophobicContact CG2-CG1 3.63Å; I29-I43 HydrophobicContact CD1-CD1 3.64Å; I29-I43 HydrophobicContact CG1-CD1 3.67Å; I29-V73 HydrophobicContact CD1-CG1 4.07Å; I29-V73 HydrophobicContact CD1-CG2 4.25Å; I29-V73 HydrophobicContact CG2-CG1 4.01Å; I29-R312 VanDerWaalsContact CG2-NH2 3.35Å |
| 30 | A | 85.6 | Confident | 91.4 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -73.1 | -45.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | S26 K27 L28 T32 G33 I77 L309 R312 | S26-A30 WeakPolarHBondContact O-CB 3.42Å; S26-A30 PolarHBondContact O-N 3.19Å; K27-A30 CarbonylContact O-C 3.42Å; K27-A30 WeakPolarHBondContact O-CA 3.44Å; K27-A30 WeakPolarHBondContact O-CB 3.38Å; K27-A30 PolarHBondContact O-N 3.43Å; L28-A30 PolarHBondContact O-N 3.18Å; A30-T32 PolarHBondContact O-N 2.86Å; A30-T32 VanDerWaalsContact O-N 3.09Å; A30-G33 PolarHBondContact O-N 2.92Å; A30-G33 VanDerWaalsContact O-N 3.14Å; A30-I77 HydrophobicContact CB-CD1 3.91Å; A30-I77 HydrophobicContact CB-CG1 3.99Å; A30-I77 HydrophobicContact CB-CG2 4.25Å; A30-L309 HydrophobicContact CB-CD2 3.71Å; A30-R312 VanDerWaalsContact CA-CD 3.46Å; A30-R312 VanDerWaalsContact O-CD 3.24Å; A30-R312 WeakPolarHBondContact O-CD 3.02Å |
| 31 | Q | 84.1 | Confident | 91.5 | Very high | 40 Ų | 40 | 47.8 Ų | 47.8 | 19% | 0.187 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.9 | -22.7 | 177.7 | -62.8 | -169.7 | -100.5 | 0 | 0 | 112.9 | K27 L28 S308 | K27-Q31 HydrophobicContact CG-CG 4.43Å; K27-Q31 WeakPolarHBondContact O-CG 3.35Å; K27-Q31 PolarHBondContact O-N 3.02Å; L28-Q31 PolarHBondContact O-N 2.81Å; Q31-S308 WeakPolarHBondContact CG-OG 3.38Å; Q31-S308 PolarHBondContact NE2-OG 3.44Å |
| 32 | T | 85.3 | Confident | 91.5 | Very high | 86 Ų | 86 | 50.1 Ų | 50.1 | 53% | 0.528 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | -6.3 | 179.7 | 51.7 | 0 | 0 | 0 | 0 | 115 | L28 I29 A30 N34 | L28-T32 WeakPolarHBondContact O-CB 3.48Å; L28-T32 WeakPolarHBondContact O-CG2 3.31Å; L28-T32 PolarHBondContact O-N 3.32Å; L28-T32 VanDerWaalsContact O-N 3.15Å; L28-T32 PolarHBondContact O-OG1 2.7Å; I29-T32 PolarHBondContact O-OG1 3.1Å; I29-T32 VanDerWaalsContact O-OG1 3.07Å; A30-T32 PolarHBondContact O-N 2.86Å; A30-T32 VanDerWaalsContact O-N 3.09Å; T32-N34 VanDerWaalsContact C-N 3.31Å; T32-N34 WeakPolarHBondContact CB-ND2 3.4Å; T32-N34 PolarHBondContact O-N 3.49Å; T32-N34 PolarHBondContact OG1-ND2 3.43Å |
| 33 | G | 82.1 | Confident | 91.5 | Very high | 22 Ų | 22 | 52.2 Ų | 52.2 | 23% | 0.227 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.1 | 8.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | I29 A30 K319 | I29-G33 PolarHBondContact O-N 3.4Å; A30-G33 PolarHBondContact O-N 2.92Å; A30-G33 VanDerWaalsContact O-N 3.14Å; G33-K319 PolarHBondContact O-NZ 2.75Å; G33-K319 VanDerWaalsContact O-NZ 3.14Å |
| 34 | N | 86.9 | Confident | 91.5 | Very high | 76 Ų | 76 | 50 Ų | 50 | 41% | 0.406 | 27% | 0.273 | S | S | . | . | trans | -62.5 | -170.3 | -175.4 | -85.7 | -65.9 | 0 | 0 | 0 | 113.9 | I29 T32 V38 R312 K319 | I29-N34 HydrophobicContact CG2-CB 4.44Å; T32-N34 VanDerWaalsContact C-N 3.31Å; T32-N34 WeakPolarHBondContact CB-ND2 3.4Å; T32-N34 PolarHBondContact O-N 3.49Å; T32-N34 PolarHBondContact OG1-ND2 3.43Å; N34-V38 HydrophobicContact CB-CG1 4.11Å; N34-R312 VanDerWaalsContact O-CZ 3.29Å; N34-R312 PolarHBondContact O-NE 3.34Å; N34-R312 PolarHBondContact O-NH2 3.35Å; N34-K319 PolarHBondContact O-NZ 3.15Å | ||
| 35 | A | 89 | Confident | 91.5 | Very high | 49 Ų | 49 | 47.1 Ų | 47.1 | 41% | 0.405 | 27% | 0.266 | S | S | . | . | trans | -83.3 | 160.6 | 163.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | N37 V38 R312 | A35-N37 WeakPolarHBondContact CB-OD1 3.41Å; A35-V38 VanDerWaalsContact O-CG1 3.22Å; A35-V38 WeakPolarHBondContact O-CG1 3.44Å; A35-R312 PolarHBondContact O-NH2 3.41Å | ||
| 36 | H | 85.3 | Confident | 91.5 | Very high | 31 Ų | 31 | 47.5 Ų | 47.5 | 14% | 0.144 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -36.4 | 177.1 | -75 | 141.4 | 0 | 0 | 0 | 113 | V38 N70 V73 I77 R312 D316 | H36-V38 PolarHBondContact O-N 3.15Å; H36-V38 VanDerWaalsContact O-N 3.13Å; H36-N70 WeakPolarHBondContact CB-OD1 3.44Å; H36-V73 HydrophobicContact CB-CG1 4.39Å; H36-I77 VanDerWaalsContact NE2-CD1 3.3Å; H36-I77 WeakPolarHBondContact NE2-CD1 3.44Å; H36-R312 PolarHBondContact CD2-NH1 3.18Å; H36-R312 PolarHBondContact CD2-NH2 2.76Å; H36-R312 PolarHBondContact NE2-NH1 3.4Å; H36-D316 IonicContact CE1-OD2 2.73Å; H36-D316 PolarHBondContact CE1-OD2 2.88Å; H36-D316 IonicContact NE2-OD2 3.74Å |
| 37 | N | 93.6 | Very high | 91.4 | Very high | 68 Ų | 68 | 49.6 Ų | 49.6 | 36% | 0.364 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -8.4 | 177.2 | 67.1 | -0.5 | 0 | 0 | 0 | 114.8 | A35 G39 E40 S41 N70 | A35-N37 WeakPolarHBondContact CB-OD1 3.41Å; N37-G39 PolarHBondContact O-N 3.47Å; N37-G39 VanDerWaalsContact O-N 3.1Å; N37-E40 HydrophobicContact CB-CG 4.22Å; N37-E40 WeakPolarHBondContact O-CG 3.49Å; N37-E40 PolarHBondContact O-N 3.11Å; N37-E40 VanDerWaalsContact O-N 3.14Å; N37-S41 WeakPolarHBondContact O-CB 3.32Å; N37-S41 PolarHBondContact O-N 3.41Å; N37-S41 PolarHBondContact O-OG 2.99Å; N37-N70 HydrophobicContact CB-CB 3.97Å; N37-N70 PolarHBondContact N-OD1 2.76Å |
| 38 | V | 94 | Very high | 91.5 | Very high | 16 Ų | 16 | 48.4 Ų | 48.4 | 10% | 0.097 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.1 | -23.1 | 178.3 | 78.2 | 0 | 0 | 0 | 0 | 112.8 | I29 N34 A35 H36 L42 I43 | I29-V38 HydrophobicContact CB-CG1 4.28Å; I29-V38 HydrophobicContact CD1-CG1 3.82Å; I29-V38 HydrophobicContact CG1-CG1 3.71Å; I29-V38 HydrophobicContact CG2-CG1 3.63Å; N34-V38 HydrophobicContact CB-CG1 4.11Å; A35-V38 VanDerWaalsContact O-CG1 3.22Å; A35-V38 WeakPolarHBondContact O-CG1 3.44Å; H36-V38 PolarHBondContact O-N 3.15Å; H36-V38 VanDerWaalsContact O-N 3.13Å; V38-L42 HydrophobicContact CG2-CB 4Å; V38-L42 HydrophobicContact CG2-CD2 3.99Å; V38-L42 PolarHBondContact O-N 3.39Å; V38-I43 HydrophobicContact CG1-CD1 4.1Å; V38-I43 WeakPolarHBondContact O-CG1 3.48Å; V38-I43 PolarHBondContact O-N 3.01Å |
| 39 | G | 93.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 29% | 0.285 | C | S | . | . | I | π-helix | trans | -59.5 | -56.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | N37 I43 L44 L68 | N37-G39 PolarHBondContact O-N 3.47Å; N37-G39 VanDerWaalsContact O-N 3.1Å; G39-I43 PolarHBondContact O-N 2.96Å; G39-L44 WeakPolarHBondContact O-CG 3.37Å; G39-L44 PolarHBondContact O-N 3.47Å; G39-L68 CarbonylContact C-O 3.57Å; G39-L68 WeakPolarHBondContact CA-O 3.35Å |
| 40 | E | 95.2 | Very high | 91.8 | Very high | 86 Ų | 86 | 52.3 Ų | 52.3 | 40% | 0.402 | 31% | 0.306 | S | S | . | . | I | π-helix | trans | -78.9 | -34.8 | -179.2 | 55.4 | -174.2 | -159.6 | 0 | 0 | 113.6 | N37 P45 L68 S69 N70 | N37-E40 HydrophobicContact CB-CG 4.22Å; N37-E40 WeakPolarHBondContact O-CG 3.49Å; N37-E40 PolarHBondContact O-N 3.11Å; N37-E40 VanDerWaalsContact O-N 3.14Å; E40-P45 WeakPolarHBondContact O-CD 3.41Å; E40-L68 PolarHBondContact N-O 3.43Å; E40-L68 VanDerWaalsContact N-O 3.11Å; E40-S69 WeakPolarHBondContact OE2-CA 3.5Å; E40-S69 WeakPolarHBondContact OE2-CB 3.48Å; E40-N70 VanDerWaalsContact CD-N 3.29Å; E40-N70 VanDerWaalsContact OE1-CB 3.32Å; E40-N70 WeakPolarHBondContact OE1-CB 3.24Å; E40-N70 PolarHBondContact OE2-N 3.18Å |
| 41 | S | 95.2 | Very high | 92.2 | Very high | 74 Ų | 74 | 53.3 Ų | 53.3 | 52% | 0.517 | 31% | 0.312 | S | S | . | . | I | π-helix | trans | -87.6 | -20.2 | -172.7 | 69.5 | 0 | 0 | 0 | 0 | 115 | N37 | N37-S41 WeakPolarHBondContact O-CB 3.32Å; N37-S41 PolarHBondContact O-N 3.41Å; N37-S41 PolarHBondContact O-OG 2.99Å |
| 42 | L | 95.8 | Very high | 92.7 | Very high | 105 Ų | 105 | 53.5 Ų | 53.5 | 55% | 0.55 | 32% | 0.318 | S | S | . | . | I | π-helix | trans | -136 | -48.9 | -176.2 | -178.9 | 61.4 | 0 | 0 | 0 | 113.3 | V38 A46 | V38-L42 HydrophobicContact CG2-CB 4Å; V38-L42 HydrophobicContact CG2-CD2 3.99Å; V38-L42 PolarHBondContact O-N 3.39Å; L42-A46 VanDerWaalsContact O-CB 3.24Å; L42-A46 WeakPolarHBondContact O-CB 3.44Å; L42-A46 PolarHBondContact O-N 2.95Å |
| 43 | I | 95.9 | Very high | 93.1 | Very high | 43 Ų | 43 | 55 Ų | 55 | 22% | 0.221 | 32% | 0.323 | C | S | . | . | I | π-helix | trans | -72 | -48.3 | -170.9 | -67.2 | 165.1 | 0 | 0 | 0 | 111.7 | I25 I29 V38 G39 A46 V47 L68 | I25-I43 HydrophobicContact CG2-CD1 4.15Å; I25-I43 HydrophobicContact CG2-CG2 4.29Å; I29-I43 HydrophobicContact CD1-CD1 3.64Å; I29-I43 HydrophobicContact CG1-CD1 3.67Å; V38-I43 HydrophobicContact CG1-CD1 4.1Å; V38-I43 WeakPolarHBondContact O-CG1 3.48Å; V38-I43 PolarHBondContact O-N 3.01Å; G39-I43 PolarHBondContact O-N 2.96Å; I43-A46 PolarHBondContact O-N 3.43Å; I43-V47 WeakPolarHBondContact O-CB 3.32Å; I43-V47 WeakPolarHBondContact O-CG2 3.49Å; I43-V47 PolarHBondContact O-N 2.66Å; I43-L68 HydrophobicContact CG2-CD1 4.21Å |
| 44 | L | 95.5 | Very high | 93.6 | Very high | 28 Ų | 28 | 59.2 Ų | 59.2 | 15% | 0.147 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.5 | -44.9 | 175.9 | -70.6 | -177.5 | 0 | 0 | 0 | 112.6 | G39 V47 S48 V63 L68 | G39-L44 WeakPolarHBondContact O-CG 3.37Å; G39-L44 PolarHBondContact O-N 3.47Å; L44-V47 PolarHBondContact O-N 2.88Å; L44-S48 WeakPolarHBondContact O-CB 3.29Å; L44-S48 PolarHBondContact O-N 3.5Å; L44-V63 HydrophobicContact CB-CG1 4.24Å; L44-V63 HydrophobicContact CD1-CG1 4.46Å; L44-V63 HydrophobicContact CD2-CG1 4.22Å; L44-L68 HydrophobicContact CD1-CB 4.09Å; L44-L68 HydrophobicContact CD2-CB 4.45Å; L44-L68 HydrophobicContact CD2-CD1 3.94Å; L44-L68 HydrophobicContact CG-CB 4.13Å; L44-L68 HydrophobicContact CG-CD1 4.27Å |
| 45 | P | 96 | Very high | 93.8 | Very high | 57 Ų | 57 | 60.8 Ų | 60.8 | 37% | 0.37 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -55.9 | -47.5 | 170.3 | -29.1 | 35.7 | 0 | 0 | 0 | 114.1 | E40 V47 S48 I49 | E40-P45 WeakPolarHBondContact O-CD 3.41Å; P45-V47 PolarHBondContact O-N 2.98Å; P45-S48 WeakPolarHBondContact O-CB 3.48Å; P45-S48 PolarHBondContact O-N 3.1Å; P45-S48 VanDerWaalsContact O-N 3.11Å; P45-I49 WeakPolarHBondContact O-CG1 3.31Å; P45-I49 PolarHBondContact O-N 3.43Å |
| 46 | A | 96 | Very high | 93.9 | Very high | 40 Ų | 40 | 65.3 Ų | 65.3 | 33% | 0.331 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63.8 | -41 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L42 I43 S48 I49 I50 | L42-A46 VanDerWaalsContact O-CB 3.24Å; L42-A46 WeakPolarHBondContact O-CB 3.44Å; L42-A46 PolarHBondContact O-N 2.95Å; I43-A46 PolarHBondContact O-N 3.43Å; A46-S48 VanDerWaalsContact C-N 3.3Å; A46-S48 PolarHBondContact O-N 3.21Å; A46-I49 PolarHBondContact O-N 3.08Å; A46-I50 VanDerWaalsContact O-CG1 3.31Å; A46-I50 WeakPolarHBondContact O-CG1 3.31Å; A46-I50 PolarHBondContact O-N 3.07Å |
| 47 | V | 94.6 | Very high | 94.1 | Very high | 44 Ų | 44 | 68.2 Ų | 68.2 | 27% | 0.267 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62 | -39.3 | 172.5 | 168.8 | 0 | 0 | 0 | 0 | 110.9 | I43 L44 P45 I50 L51 V63 | I43-V47 WeakPolarHBondContact O-CB 3.32Å; I43-V47 WeakPolarHBondContact O-CG2 3.49Å; I43-V47 PolarHBondContact O-N 2.66Å; L44-V47 PolarHBondContact O-N 2.88Å; P45-V47 PolarHBondContact O-N 2.98Å; V47-I50 PolarHBondContact O-N 2.79Å; V47-L51 HydrophobicContact CG1-CD1 3.71Å; V47-L51 HydrophobicContact CG1-CG 4.27Å; V47-L51 WeakPolarHBondContact O-CB 3.34Å; V47-L51 VanDerWaalsContact O-CG 3.32Å; V47-L51 WeakPolarHBondContact O-CG 3.18Å; V47-L51 PolarHBondContact O-N 3.17Å; V47-V63 HydrophobicContact CG1-CG2 4.32Å |
| 48 | S | 95.2 | Very high | 93.8 | Very high | 42 Ų | 42 | 69.6 Ų | 69.6 | 29% | 0.294 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63.8 | -41.5 | 178.1 | -162.1 | 0 | 0 | 0 | 0 | 112.8 | L44 P45 A46 S52 A59 | L44-S48 WeakPolarHBondContact O-CB 3.29Å; L44-S48 PolarHBondContact O-N 3.5Å; P45-S48 WeakPolarHBondContact O-CB 3.48Å; P45-S48 PolarHBondContact O-N 3.1Å; P45-S48 VanDerWaalsContact O-N 3.11Å; A46-S48 VanDerWaalsContact C-N 3.3Å; A46-S48 PolarHBondContact O-N 3.21Å; S48-S52 WeakPolarHBondContact O-CB 3.4Å; S48-S52 PolarHBondContact O-N 3.11Å; S48-S52 VanDerWaalsContact O-N 3.09Å; S48-S52 PolarHBondContact O-OG 2.62Å; S48-A59 WeakPolarHBondContact OG-CB 3.4Å |
| 49 | I | 94.6 | Very high | 93.6 | Very high | 99 Ų | 99 | 69.1 Ų | 69.1 | 51% | 0.508 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.6 | -49.1 | 175.8 | -67.2 | 164.9 | 0 | 0 | 0 | 110.1 | P45 A46 L51 S52 D53 | P45-I49 WeakPolarHBondContact O-CG1 3.31Å; P45-I49 PolarHBondContact O-N 3.43Å; A46-I49 PolarHBondContact O-N 3.08Å; I49-L51 PolarHBondContact O-N 2.91Å; I49-S52 PolarHBondContact O-N 3.06Å; I49-D53 WeakPolarHBondContact O-CB 3.18Å; I49-D53 PolarHBondContact O-N 3.01Å |
| 50 | I | 95.4 | Very high | 93.4 | Very high | 92 Ų | 92 | 76.9 Ų | 76.9 | 47% | 0.472 | 42% | 0.417 | S | S | . | . | I | π-helix | trans | -61.4 | -45.2 | -178.6 | -66.7 | 164.5 | 0 | 0 | 0 | 111.5 | A46 V47 V54 M55 | A46-I50 VanDerWaalsContact O-CG1 3.31Å; A46-I50 WeakPolarHBondContact O-CG1 3.31Å; A46-I50 PolarHBondContact O-N 3.07Å; V47-I50 PolarHBondContact O-N 2.79Å; I50-V54 VanDerWaalsContact O-CB 3.31Å; I50-V54 WeakPolarHBondContact O-CB 3.47Å; I50-V54 PolarHBondContact O-N 3.01Å; I50-M55 PolarHBondContact O-N 2.77Å |
| 51 | L | 94.3 | Very high | 92.9 | Very high | 22 Ų | 22 | 77.3 Ų | 77.3 | 12% | 0.115 | 42% | 0.422 | C | S | . | . | I | π-helix | trans | -65.9 | -39.8 | 179.6 | -71.7 | 173.1 | 0 | 0 | 0 | 112.4 | V47 I49 M55 N56 L57 A59 T62 | V47-L51 HydrophobicContact CG1-CD1 3.71Å; V47-L51 HydrophobicContact CG1-CG 4.27Å; V47-L51 WeakPolarHBondContact O-CB 3.34Å; V47-L51 VanDerWaalsContact O-CG 3.32Å; V47-L51 WeakPolarHBondContact O-CG 3.18Å; V47-L51 PolarHBondContact O-N 3.17Å; I49-L51 PolarHBondContact O-N 2.91Å; L51-M55 HydrophobicContact CD2-SD 4.02Å; L51-M55 CarbonylContact O-C 3.55Å; L51-M55 WeakPolarHBondContact O-CB 3.48Å; L51-N56 PolarHBondContact O-N 2.7Å; L51-L57 HydrophobicContact CD2-CD1 4.17Å; L51-L57 PolarHBondContact O-N 2.83Å; L51-A59 HydrophobicContact CB-CB 3.88Å; L51-A59 HydrophobicContact CD1-CB 4.29Å; L51-T62 HydrophobicContact CD1-CG2 3.75Å |
| 52 | S | 93.5 | Very high | 92.5 | Very high | 44 Ų | 44 | 76.9 Ų | 76.9 | 31% | 0.308 | 42% | 0.417 | S | S | . | . | I | π-helix | trans | -74.2 | -57.5 | -178.8 | -49.7 | 0 | 0 | 0 | 0 | 111.1 | S48 I49 N56 | S48-S52 WeakPolarHBondContact O-CB 3.4Å; S48-S52 PolarHBondContact O-N 3.11Å; S48-S52 VanDerWaalsContact O-N 3.09Å; S48-S52 PolarHBondContact O-OG 2.62Å; I49-S52 PolarHBondContact O-N 3.06Å; S52-N56 VanDerWaalsContact O-CA 3.26Å; S52-N56 WeakPolarHBondContact O-CA 3.42Å; S52-N56 PolarHBondContact O-N 3.33Å; S52-N56 VanDerWaalsContact O-N 3.1Å |
| 53 | D | 93.7 | Very high | 92.3 | Very high | 118 Ų | 118 | 73.3 Ų | 73.3 | 63% | 0.631 | 40% | 0.399 | S | S | * | . | I | π-helix | trans | -87.1 | -32.9 | -163.4 | -57.7 | -3.4 | 0 | 0 | 0 | 112.5 | I49 | I49-D53 WeakPolarHBondContact O-CB 3.18Å; I49-D53 PolarHBondContact O-N 3.01Å |
| 54 | V | 93.4 | Very high | 92.1 | Very high | 110 Ų | 110 | 77.5 Ų | 77.5 | 67% | 0.667 | 42% | 0.418 | S | S | * | . | I | π-helix | trans | -94.5 | -34.8 | -178.3 | -170.5 | 0 | 0 | 0 | 0 | 111.5 | I50 | I50-V54 VanDerWaalsContact O-CB 3.31Å; I50-V54 WeakPolarHBondContact O-CB 3.47Å; I50-V54 PolarHBondContact O-N 3.01Å |
| 55 | M | 91.2 | Very high | 91.8 | Very high | 108 Ų | 108 | 77.5 Ų | 77.5 | 53% | 0.532 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.5 | -11.1 | -174.4 | -53.1 | -167.2 | 74.5 | 0 | 0 | 114.7 | I50 L51 L57 | I50-M55 PolarHBondContact O-N 2.77Å; L51-M55 HydrophobicContact CD2-SD 4.02Å; L51-M55 CarbonylContact O-C 3.55Å; L51-M55 WeakPolarHBondContact O-CB 3.48Å; M55-L57 HydrophobicContact CB-CB 4.42Å; M55-L57 HydrophobicContact CB-CD1 3.86Å; M55-L57 HydrophobicContact CB-CG 3.83Å; M55-L57 HydrophobicContact CE-CD1 4.13Å; M55-L57 PolarHBondContact O-N 2.89Å; M55-L57 HydrophobicContact SD-CD1 4.25Å |
| 56 | N | 90.8 | Very high | 91.8 | Very high | 144 Ų | 144 | 75.8 Ų | 75.8 | 77% | 0.77 | 41% | 0.409 | S | S | * | . | trans | 52.5 | 36.7 | -172.8 | -69.3 | -81 | 0 | 0 | 0 | 113.3 | L51 S52 | L51-N56 PolarHBondContact O-N 2.7Å; S52-N56 VanDerWaalsContact O-CA 3.26Å; S52-N56 WeakPolarHBondContact O-CA 3.42Å; S52-N56 PolarHBondContact O-N 3.33Å; S52-N56 VanDerWaalsContact O-N 3.1Å | ||
| 57 | L | 89.6 | Confident | 91.7 | Very high | 92 Ų | 92 | 76.2 Ų | 76.2 | 48% | 0.482 | 41% | 0.409 | S | S | . | . | trans | -104.6 | 149.9 | 178.7 | -63.6 | 177.9 | 0 | 0 | 0 | 111.2 | L51 M55 A59 | L51-L57 HydrophobicContact CD2-CD1 4.17Å; L51-L57 PolarHBondContact O-N 2.83Å; M55-L57 HydrophobicContact CB-CB 4.42Å; M55-L57 HydrophobicContact CB-CD1 3.86Å; M55-L57 HydrophobicContact CB-CG 3.83Å; M55-L57 HydrophobicContact CE-CD1 4.13Å; M55-L57 PolarHBondContact O-N 2.89Å; M55-L57 HydrophobicContact SD-CD1 4.25Å; L57-A59 PolarHBondContact O-N 3.38Å | ||
| 58 | N | 87.7 | Confident | 91.7 | Very high | 98 Ų | 98 | 74.2 Ų | 74.2 | 52% | 0.524 | 40% | 0.397 | S | S | . | . | trans | -65.6 | 99.6 | 169.9 | 179.4 | 21.1 | 0 | 0 | 0 | 110.3 | R60 D61 | N58-R60 VanDerWaalsContact C-N 3.25Å; N58-R60 PolarHBondContact O-N 3.48Å; N58-R60 VanDerWaalsContact OD1-CB 3.29Å; N58-R60 WeakPolarHBondContact OD1-CB 3.09Å; N58-R60 PolarHBondContact OD1-N 2.92Å; N58-R60 VanDerWaalsContact OD1-N 3.15Å; N58-D61 PolarHBondContact ND2-OD1 3.24Å; N58-D61 VanDerWaalsContact ND2-OD1 3.17Å; N58-D61 PolarHBondContact ND2-OD2 2.84Å | ||
| 59 | A | 89 | Confident | 91.8 | Very high | 5 Ų | 5 | 74 Ų | 74 | 4% | 0.041 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -61.2 | -32.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | S48 L51 L57 D61 T62 V63 | S48-A59 WeakPolarHBondContact OG-CB 3.4Å; L51-A59 HydrophobicContact CB-CB 3.88Å; L51-A59 HydrophobicContact CD1-CB 4.29Å; L57-A59 PolarHBondContact O-N 3.38Å; A59-D61 PolarHBondContact O-N 3.46Å; A59-T62 PolarHBondContact O-N 3.04Å; A59-V63 HydrophobicContact CB-CG2 4.49Å; A59-V63 WeakPolarHBondContact O-CB 3.48Å; A59-V63 WeakPolarHBondContact O-CG2 3.43Å; A59-V63 PolarHBondContact O-N 3.36Å |
| 60 | R | 88.6 | Confident | 91.8 | Very high | 164 Ų | 164 | 72.6 Ų | 72.6 | 62% | 0.619 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -53.9 | -52.5 | -167.5 | -175.8 | -178.7 | -177.5 | 163.5 | 2.2 | 112.4 | N58 T62 V63 Q64 | N58-R60 VanDerWaalsContact C-N 3.25Å; N58-R60 PolarHBondContact O-N 3.48Å; N58-R60 VanDerWaalsContact OD1-CB 3.29Å; N58-R60 WeakPolarHBondContact OD1-CB 3.09Å; N58-R60 PolarHBondContact OD1-N 2.92Å; N58-R60 VanDerWaalsContact OD1-N 3.15Å; R60-T62 VanDerWaalsContact C-N 3.29Å; R60-T62 PolarHBondContact O-N 3.12Å; R60-V63 PolarHBondContact O-N 2.95Å; R60-Q64 HydrophobicContact CG-CG 4.47Å; R60-Q64 WeakPolarHBondContact O-CB 3.24Å; R60-Q64 VanDerWaalsContact O-CG 3.31Å; R60-Q64 WeakPolarHBondContact O-CG 3.23Å; R60-Q64 PolarHBondContact O-N 3.21Å |
| 61 | D | 85.8 | Confident | 91.8 | Very high | 95 Ų | 95 | 72 Ų | 72 | 51% | 0.508 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -69.1 | -34.1 | -172.3 | -46.9 | -22.3 | 0 | 0 | 0 | 110.6 | N58 A59 A65 | N58-D61 PolarHBondContact ND2-OD1 3.24Å; N58-D61 VanDerWaalsContact ND2-OD1 3.17Å; N58-D61 PolarHBondContact ND2-OD2 2.84Å; A59-D61 PolarHBondContact O-N 3.46Å; D61-A65 VanDerWaalsContact O-CB 3.3Å; D61-A65 WeakPolarHBondContact O-CB 3.31Å; D61-A65 PolarHBondContact O-N 3.22Å; D61-A65 VanDerWaalsContact O-N 3.1Å |
| 62 | T | 86.6 | Confident | 91.9 | Very high | 64 Ų | 64 | 72.1 Ų | 72.1 | 39% | 0.393 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -71.8 | -44 | 176.7 | -55.7 | 0 | 0 | 0 | 0 | 111.6 | L51 A59 R60 A65 I66 | L51-T62 HydrophobicContact CD1-CG2 3.75Å; A59-T62 PolarHBondContact O-N 3.04Å; R60-T62 VanDerWaalsContact C-N 3.29Å; R60-T62 PolarHBondContact O-N 3.12Å; T62-A65 PolarHBondContact O-N 3.16Å; T62-I66 HydrophobicContact CG2-CD1 4.19Å; T62-I66 WeakPolarHBondContact O-CG1 3.27Å |
| 63 | V | 91.3 | Very high | 91.9 | Very high | 30 Ų | 30 | 70 Ų | 70 | 18% | 0.182 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -65.2 | -42 | 177.5 | 165.8 | 0 | 0 | 0 | 0 | 110.9 | L44 V47 A59 R60 A65 I66 | L44-V63 HydrophobicContact CB-CG1 4.24Å; L44-V63 HydrophobicContact CD1-CG1 4.46Å; L44-V63 HydrophobicContact CD2-CG1 4.22Å; V47-V63 HydrophobicContact CG1-CG2 4.32Å; A59-V63 HydrophobicContact CB-CG2 4.49Å; A59-V63 WeakPolarHBondContact O-CB 3.48Å; A59-V63 WeakPolarHBondContact O-CG2 3.43Å; A59-V63 PolarHBondContact O-N 3.36Å; R60-V63 PolarHBondContact O-N 2.95Å; V63-A65 VanDerWaalsContact C-N 3.34Å; V63-A65 PolarHBondContact O-N 3.41Å; V63-I66 PolarHBondContact O-N 3.27Å |
| 64 | Q | 90.7 | Very high | 91.9 | Very high | 131 Ų | 131 | 66.4 Ų | 66.4 | 61% | 0.612 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -69.4 | -29.1 | 177.2 | -71.6 | -172.8 | -23.2 | 0 | 0 | 113.1 | R60 I66 | R60-Q64 HydrophobicContact CG-CG 4.47Å; R60-Q64 WeakPolarHBondContact O-CB 3.24Å; R60-Q64 VanDerWaalsContact O-CG 3.31Å; R60-Q64 WeakPolarHBondContact O-CG 3.23Å; R60-Q64 PolarHBondContact O-N 3.21Å; Q64-I66 VanDerWaalsContact C-N 3.31Å; Q64-I66 PolarHBondContact O-N 3.25Å |
| 65 | A | 90.7 | Very high | 92 | Very high | 28 Ų | 28 | 66.6 Ų | 66.6 | 23% | 0.231 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -73.2 | -17 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | G18 D61 T62 V63 P67 | G18-A65 VanDerWaalsContact CA-O 3.26Å; G18-A65 WeakPolarHBondContact CA-O 3.5Å; D61-A65 VanDerWaalsContact O-CB 3.3Å; D61-A65 WeakPolarHBondContact O-CB 3.31Å; D61-A65 PolarHBondContact O-N 3.22Å; D61-A65 VanDerWaalsContact O-N 3.1Å; T62-A65 PolarHBondContact O-N 3.16Å; V63-A65 VanDerWaalsContact C-N 3.34Å; V63-A65 PolarHBondContact O-N 3.41Å; A65-P67 WeakPolarHBondContact O-CD 3.25Å |
| 66 | I | 94.3 | Very high | 92.2 | Very high | 22 Ų | 22 | 61.8 Ų | 61.8 | 11% | 0.113 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -110.1 | 86.8 | -175.3 | -54.7 | 165.5 | 0 | 0 | 0 | 109.4 | V21 I25 T62 V63 Q64 L68 | V21-I66 HydrophobicContact CG1-CD1 3.98Å; V21-I66 HydrophobicContact CG1-CG1 4.22Å; V21-I66 HydrophobicContact CG1-CG2 3.9Å; I25-I66 HydrophobicContact CD1-CG2 4.34Å; T62-I66 HydrophobicContact CG2-CD1 4.19Å; T62-I66 WeakPolarHBondContact O-CG1 3.27Å; V63-I66 PolarHBondContact O-N 3.27Å; Q64-I66 VanDerWaalsContact C-N 3.31Å; Q64-I66 PolarHBondContact O-N 3.25Å; I66-L68 HydrophobicContact CG2-CD1 3.74Å; I66-L68 HydrophobicContact CG2-CG 3.99Å; I66-L68 PolarHBondContact O-N 3.23Å |
| 67 | P | 94.4 | Very high | 92.2 | Very high | 49 Ų | 49 | 55.2 Ų | 55.2 | 32% | 0.318 | 29% | 0.292 | S | S | . | . | trans | -71.5 | 108.8 | -173.7 | 29.7 | -36.7 | 0 | 0 | 0 | 110.7 | S22 A65 T72 | S22-P67 WeakPolarHBondContact CB-O 3.45Å; S22-P67 PolarHBondContact OG-O 3.32Å; A65-P67 WeakPolarHBondContact O-CD 3.25Å; P67-T72 HydrophobicContact CB-CG2 4.19Å; P67-T72 HydrophobicContact CG-CG2 4.46Å; P67-T72 WeakPolarHBondContact O-CG2 3.5Å | ||
| 68 | L | 96 | Very high | 92.1 | Very high | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | trans | -126.8 | 31.9 | -177.6 | -74.7 | 170.1 | 0 | 0 | 0 | 112.5 | I25 G39 E40 I43 L44 I66 V73 | I25-L68 HydrophobicContact CB-CD1 4.27Å; I25-L68 HydrophobicContact CB-CD2 4.05Å; I25-L68 HydrophobicContact CD1-CD1 3.92Å; I25-L68 HydrophobicContact CG2-CD1 3.73Å; I25-L68 HydrophobicContact CG2-CD2 3.71Å; I25-L68 HydrophobicContact CG2-CG 4.41Å; G39-L68 CarbonylContact C-O 3.57Å; G39-L68 WeakPolarHBondContact CA-O 3.35Å; E40-L68 PolarHBondContact N-O 3.43Å; E40-L68 VanDerWaalsContact N-O 3.11Å; I43-L68 HydrophobicContact CG2-CD1 4.21Å; L44-L68 HydrophobicContact CD1-CB 4.09Å; L44-L68 HydrophobicContact CD2-CB 4.45Å; L44-L68 HydrophobicContact CD2-CD1 3.94Å; L44-L68 HydrophobicContact CG-CB 4.13Å; L44-L68 HydrophobicContact CG-CD1 4.27Å; I66-L68 HydrophobicContact CG2-CD1 3.74Å; I66-L68 HydrophobicContact CG2-CG 3.99Å; I66-L68 PolarHBondContact O-N 3.23Å; L68-V73 HydrophobicContact CB-CG2 4.29Å; L68-V73 HydrophobicContact CD2-CG2 3.81Å | ||
| 69 | S | 95.8 | Very high | 92.4 | Very high | 36 Ų | 36 | 52.1 Ų | 52.1 | 25% | 0.252 | 27% | 0.274 | S | S | . | . | trans | -60.9 | 155 | 172 | 70.3 | 0 | 0 | 0 | 0 | 111.5 | E40 S71 T72 V73 | E40-S69 WeakPolarHBondContact OE2-CA 3.5Å; E40-S69 WeakPolarHBondContact OE2-CB 3.48Å; S69-S71 PolarHBondContact O-N 2.86Å; S69-S71 PolarHBondContact OG-OG 2.96Å; S69-T72 WeakPolarHBondContact O-CA 3.45Å; S69-T72 PolarHBondContact O-N 2.88Å; S69-T72 VanDerWaalsContact OG-CB 3.32Å; S69-T72 WeakPolarHBondContact OG-CB 3.42Å; S69-T72 PolarHBondContact OG-N 3.43Å; S69-T72 PolarHBondContact OG-OG1 3.1Å; S69-V73 WeakPolarHBondContact O-CG2 3.28Å; S69-V73 PolarHBondContact O-N 3.26Å | ||
| 70 | N | 95.4 | Very high | 92.6 | Very high | 70 Ų | 70 | 53.3 Ų | 53.3 | 37% | 0.374 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -49.8 | -45 | 177.5 | 178.5 | 70.4 | 0 | 0 | 0 | 112.2 | H36 N37 E40 C74 | H36-N70 WeakPolarHBondContact CB-OD1 3.44Å; N37-N70 HydrophobicContact CB-CB 3.97Å; N37-N70 PolarHBondContact N-OD1 2.76Å; E40-N70 VanDerWaalsContact CD-N 3.29Å; E40-N70 VanDerWaalsContact OE1-CB 3.32Å; E40-N70 WeakPolarHBondContact OE1-CB 3.24Å; E40-N70 PolarHBondContact OE2-N 3.18Å; N70-C74 WeakPolarHBondContact O-CB 3.48Å; N70-C74 PolarHBondContact O-N 3.49Å; N70-C74 VanDerWaalsContact O-N 3.1Å |
| 71 | S | 95.2 | Very high | 92.5 | Very high | 81 Ų | 81 | 46.2 Ų | 46.2 | 57% | 0.566 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -65.4 | -38 | 175.5 | 51 | 0 | 0 | 0 | 0 | 113.7 | S69 R75 | S69-S71 PolarHBondContact O-N 2.86Å; S69-S71 PolarHBondContact OG-OG 2.96Å; S71-R75 WeakPolarHBondContact O-CB 3.3Å; S71-R75 PolarHBondContact O-N 2.76Å; S71-R75 VanDerWaalsContact O-N 3.1Å |
| 72 | T | 96 | Very high | 92.7 | Very high | 24 Ų | 24 | 45.6 Ų | 45.6 | 15% | 0.147 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -72.4 | -42.8 | 179.8 | -61.1 | 0 | 0 | 0 | 0 | 111.8 | P67 S69 R76 | P67-T72 HydrophobicContact CB-CG2 4.19Å; P67-T72 HydrophobicContact CG-CG2 4.46Å; P67-T72 WeakPolarHBondContact O-CG2 3.5Å; S69-T72 WeakPolarHBondContact O-CA 3.45Å; S69-T72 PolarHBondContact O-N 2.88Å; S69-T72 VanDerWaalsContact OG-CB 3.32Å; S69-T72 WeakPolarHBondContact OG-CB 3.42Å; S69-T72 PolarHBondContact OG-N 3.43Å; S69-T72 PolarHBondContact OG-OG1 3.1Å; T72-R76 HydrophobicContact CG2-CG 4.41Å; T72-R76 WeakPolarHBondContact O-CB 3.28Å; T72-R76 WeakPolarHBondContact O-CD 3.42Å; T72-R76 WeakPolarHBondContact O-CG 3.47Å; T72-R76 PolarHBondContact O-N 3.37Å; T72-R76 VanDerWaalsContact O-N 3.08Å |
| 73 | V | 93.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.6 | -45.9 | 176.7 | 175.5 | 0 | 0 | 0 | 0 | 109.9 | I29 H36 L68 S69 R76 I77 | I29-V73 HydrophobicContact CD1-CG1 4.07Å; I29-V73 HydrophobicContact CD1-CG2 4.25Å; I29-V73 HydrophobicContact CG2-CG1 4.01Å; H36-V73 HydrophobicContact CB-CG1 4.39Å; L68-V73 HydrophobicContact CB-CG2 4.29Å; L68-V73 HydrophobicContact CD2-CG2 3.81Å; S69-V73 WeakPolarHBondContact O-CG2 3.28Å; S69-V73 PolarHBondContact O-N 3.26Å; V73-R76 PolarHBondContact O-N 3.08Å; V73-I77 HydrophobicContact CG1-CD1 3.75Å; V73-I77 VanDerWaalsContact O-CD1 3.3Å; V73-I77 WeakPolarHBondContact O-CD1 3.47Å; V73-I77 VanDerWaalsContact O-CG1 3.28Å; V73-I77 WeakPolarHBondContact O-CG1 3.28Å; V73-I77 PolarHBondContact O-N 3.07Å; V73-I77 VanDerWaalsContact O-N 3.16Å |
| 74 | C | 93.4 | Very high | 92.7 | Very high | 41 Ų | 41 | 47.4 Ų | 47.4 | 28% | 0.277 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -55.6 | -59.2 | 176.3 | -162.6 | 0 | 0 | 0 | 0 | 111.7 | N70 R76 I77 D78 | N70-C74 WeakPolarHBondContact O-CB 3.48Å; N70-C74 PolarHBondContact O-N 3.49Å; N70-C74 VanDerWaalsContact O-N 3.1Å; C74-R76 VanDerWaalsContact C-N 3.3Å; C74-R76 PolarHBondContact O-N 3.23Å; C74-I77 WeakPolarHBondContact O-CB 3.33Å; C74-I77 PolarHBondContact O-N 3.36Å; C74-D78 PolarHBondContact O-N 3.16Å |
| 75 | R | 96.6 | Very high | 92.7 | Very high | 115 Ų | 115 | 42.7 Ų | 42.7 | 43% | 0.434 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -53.7 | -43.9 | 179.9 | 178.8 | 179.3 | 59.9 | 77.1 | 2.7 | 112.8 | S71 I77 D78 E79 | S71-R75 WeakPolarHBondContact O-CB 3.3Å; S71-R75 PolarHBondContact O-N 2.76Å; S71-R75 VanDerWaalsContact O-N 3.1Å; R75-I77 VanDerWaalsContact C-N 3.27Å; R75-I77 PolarHBondContact O-N 2.98Å; R75-D78 PolarHBondContact O-N 3.1Å; R75-E79 WeakPolarHBondContact CD-OE1 3.42Å; R75-E79 HydrophobicContact CG-CG 4.33Å; R75-E79 VanDerWaalsContact CG-OE1 3.31Å; R75-E79 WeakPolarHBondContact CG-OE1 3.3Å; R75-E79 IonicContact CZ-OE1 2.72Å; R75-E79 IonicContact CZ-OE2 3.68Å; R75-E79 IonicContact NE-OE1 3.68Å; R75-E79 IonicContact NH1-OE1 3.63Å; R75-E79 PolarHBondContact NH1-OE1 3.33Å; R75-E79 IonicContact NH1-OE2 2.66Å; R75-E79 PolarHBondContact NH1-OE2 2.88Å; R75-E79 WeakPolarHBondContact O-CB 3.31Å; R75-E79 VanDerWaalsContact O-CG 3.29Å; R75-E79 WeakPolarHBondContact O-CG 3.23Å; R75-E79 PolarHBondContact O-N 2.84Å |
| 76 | R | 95 | Very high | 92.9 | Very high | 6 Ų | 6 | 45.3 Ų | 45.3 | 2% | 0.023 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.6 | -31.6 | -179.8 | -73.3 | 170 | 179 | -94.6 | 8.1 | 112.8 | T19 S22 Y23 S26 T72 V73 C74 E79 M80 | T19-R76 PolarHBondContact O-NH1 3.26Å; S22-R76 WeakPolarHBondContact OG-CD 3.17Å; S22-R76 PolarHBondContact OG-NE 2.91Å; Y23-R76 HydrophobicContact CD1-CB 3.82Å; Y23-R76 HydrophobicContact CD1-CG 3.87Å; Y23-R76 HydrophobicContact CE1-CB 3.77Å; Y23-R76 HydrophobicContact CE1-CG 3.61Å; Y23-R76 VanDerWaalsContact CE2-NH1 3.28Å; Y23-R76 VanDerWaalsContact CG-NH1 3.28Å; S26-R76 WeakPolarHBondContact OG-CD 3.31Å; T72-R76 HydrophobicContact CG2-CG 4.41Å; T72-R76 WeakPolarHBondContact O-CB 3.28Å; T72-R76 WeakPolarHBondContact O-CD 3.42Å; T72-R76 WeakPolarHBondContact O-CG 3.47Å; T72-R76 PolarHBondContact O-N 3.37Å; T72-R76 VanDerWaalsContact O-N 3.08Å; V73-R76 PolarHBondContact O-N 3.08Å; C74-R76 VanDerWaalsContact C-N 3.3Å; C74-R76 PolarHBondContact O-N 3.23Å; R76-E79 WeakPolarHBondContact CA-OE2 3.49Å; R76-M80 WeakPolarHBondContact O-CB 3.32Å; R76-M80 VanDerWaalsContact O-CE 3.23Å; R76-M80 WeakPolarHBondContact O-CE 3.29Å; R76-M80 VanDerWaalsContact O-CG 3.31Å; R76-M80 WeakPolarHBondContact O-CG 3.38Å; R76-M80 PolarHBondContact O-N 3.05Å; R76-M80 VanDerWaalsContact O-N 3.08Å |
| 77 | I | 89.8 | Confident | 92.8 | Very high | 6 Ų | 6 | 49.4 Ų | 49.4 | 3% | 0.031 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -74.7 | -40.6 | 176.8 | -68.5 | 160.9 | 0 | 0 | 0 | 110.2 | A30 H36 V73 C74 R75 M80 A81 | A30-I77 HydrophobicContact CB-CD1 3.91Å; A30-I77 HydrophobicContact CB-CG1 3.99Å; A30-I77 HydrophobicContact CB-CG2 4.25Å; H36-I77 VanDerWaalsContact NE2-CD1 3.3Å; H36-I77 WeakPolarHBondContact NE2-CD1 3.44Å; V73-I77 HydrophobicContact CG1-CD1 3.75Å; V73-I77 VanDerWaalsContact O-CD1 3.3Å; V73-I77 WeakPolarHBondContact O-CD1 3.47Å; V73-I77 VanDerWaalsContact O-CG1 3.28Å; V73-I77 WeakPolarHBondContact O-CG1 3.28Å; V73-I77 PolarHBondContact O-N 3.07Å; V73-I77 VanDerWaalsContact O-N 3.16Å; C74-I77 WeakPolarHBondContact O-CB 3.33Å; C74-I77 PolarHBondContact O-N 3.36Å; R75-I77 VanDerWaalsContact C-N 3.27Å; R75-I77 PolarHBondContact O-N 2.98Å; I77-M80 HydrophobicContact CG1-CE 4.19Å; I77-M80 PolarHBondContact O-N 3.32Å; I77-A81 VanDerWaalsContact O-CB 3.23Å; I77-A81 WeakPolarHBondContact O-CB 3.46Å; I77-A81 PolarHBondContact O-N 3.36Å |
| 78 | D | 88.1 | Confident | 92.7 | Very high | 59 Ų | 59 | 47.8 Ų | 47.8 | 32% | 0.316 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.9 | -42.1 | 173.1 | -74.3 | -49.8 | 0 | 0 | 0 | 112.3 | C74 R75 A81 L82 R313 | C74-D78 PolarHBondContact O-N 3.16Å; R75-D78 PolarHBondContact O-N 3.1Å; D78-A81 PolarHBondContact O-N 2.86Å; D78-L82 WeakPolarHBondContact O-CB 3.42Å; D78-L82 VanDerWaalsContact O-CG 3.28Å; D78-L82 WeakPolarHBondContact O-CG 3.4Å; D78-L82 PolarHBondContact O-N 2.93Å; D78-R313 IonicContact OD1-CZ 3.87Å; D78-R313 VanDerWaalsContact OD1-CZ 3.3Å; D78-R313 IonicContact OD1-NE 3.48Å; D78-R313 PolarHBondContact OD1-NE 3.18Å; D78-R313 IonicContact OD1-NH2 2.76Å; D78-R313 PolarHBondContact OD1-NH2 3.32Å |
| 79 | E | 93.4 | Very high | 92.7 | Very high | 67 Ų | 67 | 47.7 Ų | 47.7 | 31% | 0.313 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59.9 | -46 | 174.4 | -73.8 | 163.1 | 168.1 | 0 | 0 | 112 | Y23 R75 R76 L82 D83 | Y23-E79 PolarHBondContact OH-OE2 3.11Å; R75-E79 WeakPolarHBondContact CD-OE1 3.42Å; R75-E79 HydrophobicContact CG-CG 4.33Å; R75-E79 VanDerWaalsContact CG-OE1 3.31Å; R75-E79 WeakPolarHBondContact CG-OE1 3.3Å; R75-E79 IonicContact CZ-OE1 2.72Å; R75-E79 IonicContact CZ-OE2 3.68Å; R75-E79 IonicContact NE-OE1 3.68Å; R75-E79 IonicContact NH1-OE1 3.63Å; R75-E79 PolarHBondContact NH1-OE1 3.33Å; R75-E79 IonicContact NH1-OE2 2.66Å; R75-E79 PolarHBondContact NH1-OE2 2.88Å; R75-E79 WeakPolarHBondContact O-CB 3.31Å; R75-E79 VanDerWaalsContact O-CG 3.29Å; R75-E79 WeakPolarHBondContact O-CG 3.23Å; R75-E79 PolarHBondContact O-N 2.84Å; R76-E79 WeakPolarHBondContact CA-OE2 3.49Å; E79-L82 PolarHBondContact O-N 3.42Å; E79-D83 PolarHBondContact O-N 3.13Å; E79-D83 VanDerWaalsContact O-N 3.1Å |
| 80 | M | 93.4 | Very high | 92.7 | Very high | 30 Ų | 30 | 48.1 Ų | 48.1 | 15% | 0.148 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -68.7 | -31 | 175.3 | -72.1 | -176.6 | -66.4 | 0 | 0 | 113.1 | Y23 K27 R76 I77 V84 | Y23-M80 HydrophobicContact CD1-CE 4.4Å; Y23-M80 HydrophobicContact CD1-CG 4.18Å; Y23-M80 HydrophobicContact CD1-SD 4.14Å; K27-M80 HydrophobicContact CB-CE 3.92Å; K27-M80 HydrophobicContact CB-SD 3.96Å; R76-M80 WeakPolarHBondContact O-CB 3.32Å; R76-M80 VanDerWaalsContact O-CE 3.23Å; R76-M80 WeakPolarHBondContact O-CE 3.29Å; R76-M80 VanDerWaalsContact O-CG 3.31Å; R76-M80 WeakPolarHBondContact O-CG 3.38Å; R76-M80 PolarHBondContact O-N 3.05Å; R76-M80 VanDerWaalsContact O-N 3.08Å; I77-M80 HydrophobicContact CG1-CE 4.19Å; I77-M80 PolarHBondContact O-N 3.32Å; M80-V84 VanDerWaalsContact O-CG2 3.31Å; M80-V84 WeakPolarHBondContact O-CG2 3.4Å; M80-V84 PolarHBondContact O-N 3.04Å; M80-V84 VanDerWaalsContact O-N 3.12Å |
| 81 | A | 87.5 | Confident | 92.7 | Very high | 14 Ų | 14 | 47.1 Ų | 47.1 | 12% | 0.116 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -75.1 | -33.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I77 D78 E85 | I77-A81 VanDerWaalsContact O-CB 3.23Å; I77-A81 WeakPolarHBondContact O-CB 3.46Å; I77-A81 PolarHBondContact O-N 3.36Å; D78-A81 PolarHBondContact O-N 2.86Å; A81-E85 WeakPolarHBondContact O-CB 3.43Å; A81-E85 PolarHBondContact O-N 2.8Å |
| 82 | L | 89.5 | Confident | 92.7 | Very high | 82 Ų | 82 | 43.2 Ų | 43.2 | 43% | 0.429 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -67.7 | -42.1 | 171.5 | -71.8 | 166.1 | 0 | 0 | 0 | 111.7 | D78 E79 V84 E85 D86 | D78-L82 WeakPolarHBondContact O-CB 3.42Å; D78-L82 VanDerWaalsContact O-CG 3.28Å; D78-L82 WeakPolarHBondContact O-CG 3.4Å; D78-L82 PolarHBondContact O-N 2.93Å; E79-L82 PolarHBondContact O-N 3.42Å; L82-V84 PolarHBondContact O-N 3.1Å; L82-E85 PolarHBondContact O-N 3.05Å; L82-D86 PolarHBondContact O-N 3.4Å |
| 83 | D | 90.5 | Very high | 92.8 | Very high | 91 Ų | 91 | 47.1 Ų | 47.1 | 49% | 0.487 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -58.4 | -46.2 | 173 | 174.1 | 51.5 | 0 | 0 | 0 | 112.1 | E79 D86 Q87 | E79-D83 PolarHBondContact O-N 3.13Å; E79-D83 VanDerWaalsContact O-N 3.1Å; D83-D86 PolarHBondContact O-N 2.94Å; D83-Q87 WeakPolarHBondContact O-CB 3Å; D83-Q87 VanDerWaalsContact O-CG 3.24Å; D83-Q87 WeakPolarHBondContact O-CG 3.43Å; D83-Q87 PolarHBondContact O-N 2.83Å; D83-Q87 PolarHBondContact OD1-NE2 3.13Å; D83-Q87 PolarHBondContact OD2-NE2 2.95Å |
| 84 | V | 87.9 | Confident | 92.9 | Very high | 42 Ų | 42 | 54.1 Ų | 54.1 | 26% | 0.255 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.3 | -40.2 | 175.4 | 169.5 | 0 | 0 | 0 | 0 | 112 | M80 L82 L88 L309 | M80-V84 VanDerWaalsContact O-CG2 3.31Å; M80-V84 WeakPolarHBondContact O-CG2 3.4Å; M80-V84 PolarHBondContact O-N 3.04Å; M80-V84 VanDerWaalsContact O-N 3.12Å; L82-V84 PolarHBondContact O-N 3.1Å; V84-L88 WeakPolarHBondContact O-CB 3.5Å; V84-L88 PolarHBondContact O-N 2.87Å; V84-L309 HydrophobicContact CG2-CD1 4.32Å |
| 85 | E | 90.5 | Very high | 92.8 | Very high | 32 Ų | 32 | 55.1 Ų | 55.1 | 15% | 0.15 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.7 | -50.6 | 176.1 | -175 | -173.4 | -151.3 | 0 | 0 | 111.4 | A81 L82 Q87 L88 V89 Y151 K155 | A81-E85 WeakPolarHBondContact O-CB 3.43Å; A81-E85 PolarHBondContact O-N 2.8Å; L82-E85 PolarHBondContact O-N 3.05Å; E85-Q87 VanDerWaalsContact C-N 3.32Å; E85-Q87 PolarHBondContact O-N 2.95Å; E85-L88 WeakPolarHBondContact O-CB 3.33Å; E85-L88 PolarHBondContact O-N 3.14Å; E85-L88 VanDerWaalsContact O-N 3.1Å; E85-V89 HydrophobicContact CG-CG2 4.18Å; E85-V89 WeakPolarHBondContact O-CB 3.48Å; E85-V89 VanDerWaalsContact O-CG2 3.26Å; E85-V89 WeakPolarHBondContact O-CG2 3.46Å; E85-V89 PolarHBondContact O-N 3.49Å; E85-Y151 WeakPolarHBondContact CG-OH 3.46Å; E85-Y151 VanDerWaalsContact OE1-CE2 3.24Å; E85-Y151 WeakPolarHBondContact OE1-CE2 3.4Å; E85-Y151 PolarHBondContact OE1-OH 3.44Å; E85-K155 VanDerWaalsContact OE1-CE 3.24Å; E85-K155 WeakPolarHBondContact OE1-CE 3.28Å; E85-K155 IonicContact OE1-NZ 2.88Å; E85-K155 VanDerWaalsContact OE2-CE 3.24Å; E85-K155 WeakPolarHBondContact OE2-CE 3.4Å; E85-K155 IonicContact OE2-NZ 3.97Å; E85-K155 PolarHBondContact OE2-NZ 3.1Å |
| 86 | D | 93.6 | Very high | 92.6 | Very high | 82 Ų | 82 | 55 Ų | 55 | 44% | 0.439 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -68.7 | -31.4 | -176.5 | -77.7 | -13.9 | 0 | 0 | 0 | 112.3 | L82 D83 A90 K155 | L82-D86 PolarHBondContact O-N 3.4Å; D83-D86 PolarHBondContact O-N 2.94Å; D86-A90 VanDerWaalsContact O-CB 3.31Å; D86-A90 WeakPolarHBondContact O-CB 3.36Å; D86-A90 PolarHBondContact O-N 3.1Å; D86-K155 IonicContact OD1-NZ 3.11Å; D86-K155 PolarHBondContact OD1-NZ 3.12Å |
| 87 | Q | 93.3 | Very high | 92.4 | Very high | 108 Ų | 108 | 54.7 Ų | 54.7 | 51% | 0.505 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.7 | -42.6 | 168.3 | -73.4 | 175.6 | 42.4 | 0 | 0 | 112.4 | D83 E85 L91 | D83-Q87 WeakPolarHBondContact O-CB 3Å; D83-Q87 VanDerWaalsContact O-CG 3.24Å; D83-Q87 WeakPolarHBondContact O-CG 3.43Å; D83-Q87 PolarHBondContact O-N 2.83Å; D83-Q87 PolarHBondContact OD1-NE2 3.13Å; D83-Q87 PolarHBondContact OD2-NE2 2.95Å; E85-Q87 VanDerWaalsContact C-N 3.32Å; E85-Q87 PolarHBondContact O-N 2.95Å; Q87-L91 PolarHBondContact O-N 3.22Å |
| 88 | L | 92.1 | Very high | 92.4 | Very high | 16 Ų | 16 | 56.1 Ų | 56.1 | 8% | 0.084 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66 | -48.1 | 175.9 | 176.3 | 59.6 | 0 | 0 | 0 | 111.2 | V84 E85 A90 L91 L92 V117 F119 E128 M129 L130 | V84-L88 WeakPolarHBondContact O-CB 3.5Å; V84-L88 PolarHBondContact O-N 2.87Å; E85-L88 WeakPolarHBondContact O-CB 3.33Å; E85-L88 PolarHBondContact O-N 3.14Å; E85-L88 VanDerWaalsContact O-N 3.1Å; L88-A90 VanDerWaalsContact C-N 3.3Å; L88-A90 PolarHBondContact O-N 2.96Å; L88-L91 WeakPolarHBondContact O-CB 3.39Å; L88-L91 PolarHBondContact O-N 3.39Å; L88-L92 HydrophobicContact CD1-CD1 4.13Å; L88-L92 HydrophobicContact CD1-CG 4.18Å; L88-L92 HydrophobicContact CG-CD1 3.92Å; L88-L92 HydrophobicContact CG-CG 4.41Å; L88-L92 WeakPolarHBondContact O-CG 3.48Å; L88-L92 PolarHBondContact O-N 3.37Å; L88-V117 HydrophobicContact CD1-CG2 4.17Å; L88-V117 HydrophobicContact CD2-CG2 4.23Å; L88-F119 HydrophobicContact CD1-CE1 3.64Å; L88-F119 HydrophobicContact CD1-CZ 3.78Å; L88-E128 HydrophobicContact CD1-CB 4.15Å; L88-E128 HydrophobicContact CD1-CG 4.26Å; L88-E128 HydrophobicContact CD2-CB 3.95Å; L88-M129 WeakPolarHBondContact CD2-O 3.39Å; L88-L130 HydrophobicContact CD2-CD1 4.16Å; L88-L130 HydrophobicContact CG-CD1 4.48Å |
| 89 | V | 95.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -55 | -44.6 | 175.3 | 166.1 | 0 | 0 | 0 | 0 | 111 | E85 L91 L92 R93 K155 I157 | E85-V89 HydrophobicContact CG-CG2 4.18Å; E85-V89 WeakPolarHBondContact O-CB 3.48Å; E85-V89 VanDerWaalsContact O-CG2 3.26Å; E85-V89 WeakPolarHBondContact O-CG2 3.46Å; E85-V89 PolarHBondContact O-N 3.49Å; V89-L91 VanDerWaalsContact C-N 3.28Å; V89-L91 PolarHBondContact O-N 2.84Å; V89-L92 PolarHBondContact O-N 3.02Å; V89-L92 VanDerWaalsContact O-N 3.16Å; V89-R93 HydrophobicContact CG1-CG 4.41Å; V89-R93 WeakPolarHBondContact O-CG 3.44Å; V89-R93 PolarHBondContact O-N 3.43Å; V89-K155 HydrophobicContact CG1-CB 3.88Å; V89-K155 HydrophobicContact CG1-CD 4.45Å; V89-K155 WeakPolarHBondContact CG1-O 3.25Å; V89-K155 HydrophobicContact CG2-CB 4.05Å; V89-K155 HydrophobicContact CG2-CD 4.04Å; V89-K155 HydrophobicContact CG2-CG 4.02Å; V89-I157 HydrophobicContact CG1-CG1 4.25Å; V89-I157 HydrophobicContact CG2-CD1 4.34Å |
| 90 | A | 96.7 | Very high | 92.3 | Very high | 45 Ų | 45 | 53 Ų | 53 | 37% | 0.372 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59.5 | -36.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | D86 L88 | D86-A90 VanDerWaalsContact O-CB 3.31Å; D86-A90 WeakPolarHBondContact O-CB 3.36Å; D86-A90 PolarHBondContact O-N 3.1Å; L88-A90 VanDerWaalsContact C-N 3.3Å; L88-A90 PolarHBondContact O-N 2.96Å |
| 91 | L | 95.4 | Very high | 92 | Very high | 48 Ų | 48 | 51.6 Ų | 51.6 | 25% | 0.251 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -70.1 | -44 | 173.3 | -66.9 | 167.5 | 0 | 0 | 0 | 111.7 | Q87 L88 V89 R93 L94 K95 F119 | Q87-L91 PolarHBondContact O-N 3.22Å; L88-L91 WeakPolarHBondContact O-CB 3.39Å; L88-L91 PolarHBondContact O-N 3.39Å; V89-L91 VanDerWaalsContact C-N 3.28Å; V89-L91 PolarHBondContact O-N 2.84Å; L91-R93 VanDerWaalsContact C-N 3.33Å; L91-R93 PolarHBondContact O-N 2.75Å; L91-L94 PolarHBondContact O-N 3.25Å; L91-L94 VanDerWaalsContact O-N 3.13Å; L91-K95 WeakPolarHBondContact O-CB 3.33Å; L91-K95 WeakPolarHBondContact O-CG 3.24Å; L91-K95 PolarHBondContact O-N 3.35Å; L91-F119 HydrophobicContact CB-CE2 4.22Å; L91-F119 HydrophobicContact CD1-CE2 4.11Å; L91-F119 HydrophobicContact CD1-CZ 4.2Å |
| 92 | L | 95.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -69 | -27.3 | -178.5 | -62.5 | 170.8 | 0 | 0 | 0 | 113.4 | L88 V89 L94 F97 V117 F119 L130 I157 N161 | L88-L92 HydrophobicContact CD1-CD1 4.13Å; L88-L92 HydrophobicContact CD1-CG 4.18Å; L88-L92 HydrophobicContact CG-CD1 3.92Å; L88-L92 HydrophobicContact CG-CG 4.41Å; L88-L92 WeakPolarHBondContact O-CG 3.48Å; L88-L92 PolarHBondContact O-N 3.37Å; V89-L92 PolarHBondContact O-N 3.02Å; V89-L92 VanDerWaalsContact O-N 3.16Å; L92-L94 PolarHBondContact O-N 3.04Å; L92-F97 HydrophobicContact CB-CD1 4.21Å; L92-F97 HydrophobicContact CB-CE1 3.92Å; L92-F97 HydrophobicContact CB-CZ 4.48Å; L92-F97 HydrophobicContact CD2-CB 3.91Å; L92-F97 HydrophobicContact CD2-CD1 3.54Å; L92-F97 HydrophobicContact CD2-CD2 4.07Å; L92-F97 HydrophobicContact CD2-CE1 3.95Å; L92-F97 HydrophobicContact CD2-CE2 4.42Å; L92-F97 HydrophobicContact CD2-CG 3.61Å; L92-F97 HydrophobicContact CD2-CZ 4.36Å; L92-F97 HydrophobicContact CG-CD1 4.45Å; L92-F97 HydrophobicContact CG-CE1 4.45Å; L92-V117 HydrophobicContact CD1-CG1 4.26Å; L92-V117 HydrophobicContact CD1-CG2 4.1Å; L92-V117 HydrophobicContact CD2-CB 4.09Å; L92-V117 HydrophobicContact CD2-CG1 4.27Å; L92-V117 HydrophobicContact CD2-CG2 4.07Å; L92-F119 HydrophobicContact CD2-CD1 4.21Å; L92-L130 HydrophobicContact CD1-CD1 3.43Å; L92-L130 VanDerWaalsContact CD1-CD1 3.43Å; L92-L130 HydrophobicContact CD1-CD2 4.45Å; L92-I157 HydrophobicContact CB-CD1 4.47Å; L92-I157 HydrophobicContact CB-CG2 4.24Å; L92-I157 HydrophobicContact CD1-CD1 4.35Å; L92-N161 PolarHBondContact O-ND2 2.77Å |
| 93 | R | 97.2 | Very high | 91.4 | Very high | 105 Ų | 105 | 50.8 Ų | 50.8 | 40% | 0.396 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.3 | -33.3 | 169.9 | -74.8 | 175.9 | -175.1 | 159.6 | 3.6 | 112.5 | V89 L91 K155 S156 N161 | V89-R93 HydrophobicContact CG1-CG 4.41Å; V89-R93 WeakPolarHBondContact O-CG 3.44Å; V89-R93 PolarHBondContact O-N 3.43Å; L91-R93 VanDerWaalsContact C-N 3.33Å; L91-R93 PolarHBondContact O-N 2.75Å; R93-K155 VanDerWaalsContact CZ-O 3.23Å; R93-K155 PolarHBondContact NE-O 3.15Å; R93-K155 PolarHBondContact NH2-O 2.73Å; R93-S156 WeakPolarHBondContact CG-O 3.43Å; R93-N161 PolarHBondContact O-ND2 3.12Å |
| 94 | L | 95.5 | Very high | 90.9 | Very high | 148 Ų | 148 | 48.9 Ų | 48.9 | 78% | 0.775 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -101.6 | -21.3 | -173.3 | -61.7 | 176.4 | 0 | 0 | 0 | 114.2 | L91 L92 | L91-L94 PolarHBondContact O-N 3.25Å; L91-L94 VanDerWaalsContact O-N 3.13Å; L92-L94 PolarHBondContact O-N 3.04Å |
| 95 | K | 92.8 | Very high | 90.4 | Very high | 61 Ų | 61 | 51.5 Ų | 51.5 | 27% | 0.265 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -118.7 | 151.1 | -167.9 | -62.6 | -172.4 | 174.2 | -158.2 | 0 | 112.6 | L91 F97 F119 N121 N161 | L91-K95 WeakPolarHBondContact O-CB 3.33Å; L91-K95 WeakPolarHBondContact O-CG 3.24Å; L91-K95 PolarHBondContact O-N 3.35Å; K95-F97 WeakPolarHBondContact O-CD1 3.24Å; K95-F119 HydrophobicContact CD-CD2 4.41Å; K95-N121 PolarHBondContact NZ-OD1 3.22Å; K95-N161 WeakPolarHBondContact O-CB 3.41Å; K95-N161 PolarHBondContact O-ND2 2.9Å |
| 96 | K | 91.7 | Very high | 89.6 | Confident | 112 Ų | 112 | 51.2 Ų | 51.2 | 49% | 0.487 | 27% | 0.265 | S | S | . | . | trans | -76.9 | 137.7 | 169.9 | -57.8 | -51.7 | -178.8 | -172.4 | 0 | 110.4 | Q160 N161 I163 | K96-Q160 PolarHBondContact NZ-O 2.76Å; K96-N161 WeakPolarHBondContact CA-O 3.41Å; K96-N161 HydrophobicContact CD-CB 4.24Å; K96-N161 PolarHBondContact NZ-OD1 3.32Å; K96-I163 HydrophobicContact CB-CG2 3.88Å; K96-I163 HydrophobicContact CD-CG2 4.35Å; K96-I163 HydrophobicContact CG-CG2 4.24Å | ||
| 97 | F | 90.5 | Very high | 88.4 | Confident | 1 Ų | 1 | 52 Ų | 52 | 0% | 0.004 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 155.7 | -176.8 | 64.2 | -90.3 | 0 | 0 | 0 | 112.1 | L92 K95 V117 R118 F119 F152 I157 N161 V162 I163 | L92-F97 HydrophobicContact CB-CD1 4.21Å; L92-F97 HydrophobicContact CB-CE1 3.92Å; L92-F97 HydrophobicContact CB-CZ 4.48Å; L92-F97 HydrophobicContact CD2-CB 3.91Å; L92-F97 HydrophobicContact CD2-CD1 3.54Å; L92-F97 HydrophobicContact CD2-CD2 4.07Å; L92-F97 HydrophobicContact CD2-CE1 3.95Å; L92-F97 HydrophobicContact CD2-CE2 4.42Å; L92-F97 HydrophobicContact CD2-CG 3.61Å; L92-F97 HydrophobicContact CD2-CZ 4.36Å; L92-F97 HydrophobicContact CG-CD1 4.45Å; L92-F97 HydrophobicContact CG-CE1 4.45Å; K95-F97 WeakPolarHBondContact O-CD1 3.24Å; F97-V117 HydrophobicContact CD2-CB 4.15Å; F97-V117 HydrophobicContact CD2-CG1 3.63Å; F97-V117 HydrophobicContact CE2-CG1 3.72Å; F97-R118 WeakPolarHBondContact CA-O 3.49Å; F97-F119 HydrophobicContact CB-CB 3.68Å; F97-F152 HydrophobicContact CE2-CE2 4.28Å; F97-F152 AromaticContact CE2-CZ 3.92Å; F97-F152 HydrophobicContact CE2-CZ 3.92Å; F97-F152 AromaticContact CZ-CE2 3.7Å; F97-F152 HydrophobicContact CZ-CE2 3.7Å; F97-F152 AromaticContact CZ-CZ 3.72Å; F97-F152 HydrophobicContact CZ-CZ 3.72Å; F97-I157 HydrophobicContact CE1-CG2 3.92Å; F97-I157 HydrophobicContact CZ-CG2 3.9Å; F97-N161 HydrophobicContact CD1-CB 3.94Å; F97-N161 HydrophobicContact CE1-CB 3.67Å; F97-N161 PolarHBondContact N-O 2.91Å; F97-V162 HydrophobicContact CE2-CG2 3.8Å; F97-V162 HydrophobicContact CZ-CG2 3.78Å; F97-V162 WeakPolarHBondContact O-CA 3.38Å; F97-I163 VanDerWaalsContact O-CG1 3.28Å; F97-I163 WeakPolarHBondContact O-CG1 3.26Å; F97-I163 PolarHBondContact O-N 3.09Å |
| 98 | S | 90.7 | Very high | 87.2 | Confident | 35 Ų | 35 | 53.7 Ų | 53.7 | 25% | 0.245 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 134.7 | 166.4 | 52.6 | 0 | 0 | 0 | 0 | 110.2 | V117 R118 A164 | S98-V117 WeakPolarHBondContact O-CA 3.2Å; S98-R118 PolarHBondContact N-O 3.28Å; S98-R118 PolarHBondContact O-N 3.03Å; S98-R118 PolarHBondContact OG-O 3.44Å; S98-A164 CarbonylContact C-O 3.59Å; S98-A164 VanDerWaalsContact CA-O 3.31Å; S98-A164 WeakPolarHBondContact CA-O 3.46Å |
| 99 | L | 90.1 | Very high | 86.4 | Confident | 4 Ų | 4 | 59.5 Ų | 59.5 | 2% | 0.021 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 146.9 | 174.1 | -169.2 | 70.2 | 0 | 0 | 0 | 109.5 | V101 A115 Y116 V117 I148 V162 A164 C165 S166 | L99-V101 HydrophobicContact CD2-CG2 3.54Å; L99-V101 HydrophobicContact CG-CG2 3.76Å; L99-A115 HydrophobicContact CD1-CB 4.37Å; L99-Y116 CarbonylContact C-O 3.49Å; L99-Y116 WeakPolarHBondContact CA-O 3.41Å; L99-V117 HydrophobicContact CD1-CG1 3.96Å; L99-I148 HydrophobicContact CD2-CD1 4.43Å; L99-I148 HydrophobicContact CD2-CG2 4.37Å; L99-V162 HydrophobicContact CB-CG1 4.21Å; L99-A164 PolarHBondContact N-O 3.17Å; L99-C165 CarbonylContact O-C 3.15Å; L99-C165 VanDerWaalsContact O-CA 3.27Å; L99-C165 WeakPolarHBondContact O-CA 3.24Å; L99-S166 PolarHBondContact O-N 3.09Å |
| 100 | Q | 88.6 | Confident | 85.7 | Confident | 57 Ų | 57 | 61.4 Ų | 61.4 | 27% | 0.266 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 131.4 | 160.8 | 172.7 | 168.4 | -45.2 | 0 | 0 | 108.4 | A115 Y116 S166 | Q100-A115 WeakPolarHBondContact O-CA 3.22Å; Q100-Y116 PolarHBondContact N-O 3.47Å; Q100-Y116 PolarHBondContact O-N 2.93Å; Q100-S166 CarbonylContact C-O 3.5Å; Q100-S166 VanDerWaalsContact CA-O 3.28Å; Q100-S166 WeakPolarHBondContact CA-O 3.37Å |
| 101 | V | 86.6 | Confident | 85.1 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 133.9 | -176.9 | -173.3 | 0 | 0 | 0 | 0 | 109.1 | L99 L113 M114 I148 S166 T167 F180 | L99-V101 HydrophobicContact CD2-CG2 3.54Å; L99-V101 HydrophobicContact CG-CG2 3.76Å; V101-L113 HydrophobicContact CG1-CD1 3.47Å; V101-L113 VanDerWaalsContact CG1-CD1 3.47Å; V101-L113 HydrophobicContact CG1-CG 4.45Å; V101-M114 WeakPolarHBondContact CA-O 3.42Å; V101-I148 HydrophobicContact CG1-CD1 3.94Å; V101-I148 HydrophobicContact CG2-CD1 3.72Å; V101-S166 PolarHBondContact N-O 3.1Å; V101-T167 HydrophobicContact CB-CG2 4.24Å; V101-F180 HydrophobicContact CG2-CE1 4.14Å; V101-F180 HydrophobicContact CG2-CZ 4.07Å |
| 102 | D | 84 | Confident | 84.6 | Confident | 40 Ų | 40 | 57.3 Ų | 57.3 | 21% | 0.214 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 141 | 179.1 | -159.5 | 50.5 | 0 | 0 | 0 | 109.7 | M114 | D102-M114 HydrophobicContact CB-CE 4.29Å; D102-M114 PolarHBondContact N-O 3.27Å; D102-M114 PolarHBondContact O-N 2.93Å; D102-M114 WeakPolarHBondContact OD2-CE 3.44Å |
| 103 | E | 82 | Confident | 84.2 | Confident | 40 Ų | 40 | 57.3 Ų | 57.3 | 19% | 0.187 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 115.8 | -179.1 | -177.6 | -179.6 | -163.4 | 0 | 0 | 108.4 | A111 M144 | E103-A111 HydrophobicContact CG-CB 4.09Å; E103-M144 HydrophobicContact CB-SD 4.25Å; E103-M144 WeakPolarHBondContact OE2-CE 3.48Å |
| 104 | T | 79.5 | Confident | 83.8 | Confident | 51 Ų | 51 | 53.4 Ų | 53.4 | 31% | 0.313 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 116.2 | 174.8 | -67.8 | 0 | 0 | 0 | 0 | 109.7 | A111 L112 M114 | T104-A111 CarbonylContact O-C 3.27Å; T104-A111 VanDerWaalsContact O-CA 3.28Å; T104-A111 WeakPolarHBondContact O-CA 3.17Å; T104-A111 WeakPolarHBondContact O-CB 3.35Å; T104-L112 PolarHBondContact N-O 3.49Å; T104-L112 PolarHBondContact O-N 3.15Å; T104-M114 WeakPolarHBondContact OG1-CE 3.24Å |
| 105 | T | 76.9 | Confident | 83.5 | Confident | 97 Ų | 97 | 46.4 Ų | 46.4 | 60% | 0.595 | 24% | 0.241 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 135.9 | 175.3 | 48.4 | 0 | 0 | 0 | 0 | 111.6 | ||
| 106 | L | 73.5 | Confident | 83.3 | Confident | 26 Ų | 26 | 47.4 Ų | 47.4 | 14% | 0.136 | 24% | 0.244 | C | C | . | . | P | Polyproline II helix | trans | -95.4 | 168.5 | 167.2 | -63.1 | 175.6 | 0 | 0 | 0 | 109.9 | D110 L112 K134 L318 | L106-D110 HydrophobicContact CD1-CB 4.31Å; L106-D110 PolarHBondContact N-O 3.39Å; L106-L112 HydrophobicContact CD1-CD2 4Å; L106-L112 HydrophobicContact CD1-CG 4Å; L106-L112 HydrophobicContact CD2-CD1 4.12Å; L106-L112 HydrophobicContact CD2-CG 4.05Å; L106-L112 HydrophobicContact CG-CG 4.1Å; L106-K134 HydrophobicContact CD1-CD 4.48Å; L106-L318 HydrophobicContact CD2-CD2 4.27Å |
| 107 | Q | 68.6 | Low | 83.2 | Confident | 97 Ų | 97 | 42.1 Ų | 42.1 | 45% | 0.453 | 22% | 0.221 | S | C | . | . | G | 310 helix | trans | -59.7 | 156.4 | 157 | -68.2 | 168.5 | -19.7 | 0 | 0 | 109.3 | W354 N355 | Q107-W354 PolarHBondContact NE2-O 3.3Å; Q107-N355 PolarHBondContact NE2-OD1 3.27Å |
| 108 | D | 68.4 | Low | 83.1 | Confident | 145 Ų | 145 | 45.6 Ų | 45.6 | 78% | 0.775 | 23% | 0.234 | S | C | * | . | G | 310 helix | trans | 69.5 | 31.1 | -180 | -56.9 | -29.3 | 0 | 0 | 0 | 118.8 | D110 | D108-D110 PolarHBondContact O-N 3.46Š|
| 109 | N | 74.3 | Confident | 82.8 | Confident | 138 Ų | 138 | 44.1 Ų | 44.1 | 74% | 0.738 | 22% | 0.223 | S | C | * | . | G | 310 helix | trans | 62.1 | 21.5 | 175.2 | -55 | -70.7 | 0 | 0 | 0 | 115.5 | S137 | N109-S137 WeakPolarHBondContact O-CA 3.36Å; N109-S137 WeakPolarHBondContact O-CB 3.34Å; N109-S137 PolarHBondContact O-N 3.01Å |
| 110 | D | 81.9 | Confident | 82.4 | Confident | 39 Ų | 39 | 51.6 Ų | 51.6 | 21% | 0.209 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 167.7 | 167.3 | -71.9 | -41.3 | 0 | 0 | 0 | 110.8 | L106 D108 K134 I135 | L106-D110 HydrophobicContact CD1-CB 4.31Å; L106-D110 PolarHBondContact N-O 3.39Å; D108-D110 PolarHBondContact O-N 3.46Å; D110-K134 HydrophobicContact CB-CG 4.46Å; D110-K134 WeakPolarHBondContact OD2-CE 3.39Å; D110-K134 IonicContact OD2-NZ 3.77Å; D110-K134 PolarHBondContact OD2-NZ 2.98Å; D110-I135 WeakPolarHBondContact CA-O 3.1Å |
| 111 | A | 83.5 | Confident | 82.1 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 156.6 | 174 | 0 | 0 | 0 | 0 | 0 | 110.7 | E103 T104 I135 | E103-A111 HydrophobicContact CG-CB 4.09Å; T104-A111 CarbonylContact O-C 3.27Å; T104-A111 VanDerWaalsContact O-CA 3.28Å; T104-A111 WeakPolarHBondContact O-CA 3.17Å; T104-A111 WeakPolarHBondContact O-CB 3.35Å; A111-I135 HydrophobicContact CB-CD1 4.49Å; A111-I135 HydrophobicContact CB-CG1 3.96Å; A111-I135 PolarHBondContact N-O 3.46Å; A111-I135 PolarHBondContact O-N 3.11Å; A111-I135 VanDerWaalsContact O-O 3.11Å |
| 112 | L | 85 | Confident | 82 | Confident | 7 Ų | 7 | 54.9 Ų | 54.9 | 4% | 0.037 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 118.6 | 168 | -63.1 | -178.4 | 0 | 0 | 0 | 109.1 | T104 L106 V132 K134 L318 | T104-L112 PolarHBondContact N-O 3.49Å; T104-L112 PolarHBondContact O-N 3.15Å; L106-L112 HydrophobicContact CD1-CD2 4Å; L106-L112 HydrophobicContact CD1-CG 4Å; L106-L112 HydrophobicContact CD2-CD1 4.12Å; L106-L112 HydrophobicContact CD2-CG 4.05Å; L106-L112 HydrophobicContact CG-CG 4.1Å; L112-V132 HydrophobicContact CB-CG1 3.98Å; L112-V132 HydrophobicContact CD1-CG1 4.32Å; L112-V132 HydrophobicContact CD2-CG1 4.12Å; L112-V132 HydrophobicContact CG-CG1 4.36Å; L112-K134 HydrophobicContact CD2-CB 4.16Å; L112-K134 HydrophobicContact CD2-CG 4.46Å; L112-L318 HydrophobicContact CD1-CD2 3.76Å; L112-L318 HydrophobicContact CD1-CG 4.44Å |
| 113 | L | 87 | Confident | 82 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 111.5 | 168.9 | -174.3 | 61.9 | 0 | 0 | 0 | 108.5 | V101 F131 V132 R133 I135 M144 E147 I148 | V101-L113 HydrophobicContact CG1-CD1 3.47Å; V101-L113 VanDerWaalsContact CG1-CD1 3.47Å; V101-L113 HydrophobicContact CG1-CG 4.45Å; L113-F131 HydrophobicContact CD2-CE2 4.28Å; L113-F131 HydrophobicContact CG-CE2 4.23Å; L113-V132 WeakPolarHBondContact O-CA 3.48Å; L113-R133 PolarHBondContact N-O 3.44Å; L113-R133 PolarHBondContact O-N 2.9Å; L113-I135 HydrophobicContact CB-CD1 4.14Å; L113-I135 HydrophobicContact CB-CG1 4.33Å; L113-I135 HydrophobicContact CB-CG2 3.84Å; L113-I135 HydrophobicContact CD2-CG2 4.23Å; L113-M144 HydrophobicContact CD1-CB 4.13Å; L113-M144 HydrophobicContact CD1-CG 3.82Å; L113-M144 HydrophobicContact CD1-SD 4.04Å; L113-M144 HydrophobicContact CD2-CB 4.21Å; L113-M144 HydrophobicContact CD2-CG 4.43Å; L113-E147 HydrophobicContact CD2-CB 4.02Å; L113-I148 HydrophobicContact CD2-CD1 4.36Å; L113-I148 HydrophobicContact CD2-CG1 4.22Å |
| 114 | M | 88.9 | Confident | 81.9 | Confident | 24 Ų | 24 | 61.1 Ų | 61.1 | 12% | 0.118 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 127.7 | 179.4 | -61 | -173.8 | -71.9 | 0 | 0 | 110 | V101 D102 T104 Y116 V132 | V101-M114 WeakPolarHBondContact CA-O 3.42Å; D102-M114 HydrophobicContact CB-CE 4.29Å; D102-M114 PolarHBondContact N-O 3.27Å; D102-M114 PolarHBondContact O-N 2.93Å; D102-M114 WeakPolarHBondContact OD2-CE 3.44Å; T104-M114 WeakPolarHBondContact OG1-CE 3.24Å; M114-Y116 HydrophobicContact CB-CE2 4.22Å; M114-V132 HydrophobicContact CB-CG2 4.4Å; M114-V132 HydrophobicContact CG-CG1 4.08Å; M114-V132 HydrophobicContact CG-CG2 3.82Å |
| 115 | A | 88.8 | Confident | 82 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 124 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | L99 Q100 M129 L130 F131 | L99-A115 HydrophobicContact CD1-CB 4.37Å; Q100-A115 WeakPolarHBondContact O-CA 3.22Å; A115-M129 WeakPolarHBondContact O-CG 3.39Å; A115-L130 HydrophobicContact CB-CB 4.29Å; A115-L130 PolarHBondContact O-N 2.93Å; A115-F131 HydrophobicContact CB-CD1 3.89Å; A115-F131 HydrophobicContact CB-CD2 3.98Å; A115-F131 HydrophobicContact CB-CE1 3.69Å; A115-F131 HydrophobicContact CB-CE2 3.79Å; A115-F131 HydrophobicContact CB-CG 4.04Å; A115-F131 HydrophobicContact CB-CZ 3.65Å; A115-F131 PolarHBondContact N-O 3.4Å; A115-F131 PolarHBondContact O-N 2.83Å |
| 116 | Y | 89.6 | Confident | 82.3 | Confident | 82 Ų | 82 | 58.2 Ų | 58.2 | 32% | 0.322 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 150.7 | 173.3 | -63.9 | -104.9 | 0 | 0 | 0 | 110.4 | L99 Q100 M114 E128 M129 | L99-Y116 CarbonylContact C-O 3.49Å; L99-Y116 WeakPolarHBondContact CA-O 3.41Å; Q100-Y116 PolarHBondContact N-O 3.47Å; Q100-Y116 PolarHBondContact O-N 2.93Å; M114-Y116 HydrophobicContact CB-CE2 4.22Å; Y116-E128 CarbonylContact C-O 3.59Å; Y116-E128 WeakPolarHBondContact CA-O 3.4Å; Y116-M129 HydrophobicContact CD1-CB 3.97Å; Y116-M129 HydrophobicContact CD1-CE 4.24Å; Y116-M129 HydrophobicContact CD2-CE 4.33Å; Y116-M129 HydrophobicContact CE1-CB 4.12Å; Y116-M129 HydrophobicContact CE1-CE 3.51Å; Y116-M129 HydrophobicContact CE2-CE 3.61Å; Y116-M129 WeakPolarHBondContact OH-CE 3.19Å |
| 117 | V | 89.2 | Confident | 82.9 | Confident | 1 Ų | 1 | 61.5 Ų | 61.5 | 1% | 0.006 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 134.4 | 178.1 | -71.5 | 0 | 0 | 0 | 0 | 111 | L88 L92 F97 S98 L99 F119 E127 E128 L130 | L88-V117 HydrophobicContact CD1-CG2 4.17Å; L88-V117 HydrophobicContact CD2-CG2 4.23Å; L92-V117 HydrophobicContact CD1-CG1 4.26Å; L92-V117 HydrophobicContact CD1-CG2 4.1Å; L92-V117 HydrophobicContact CD2-CB 4.09Å; L92-V117 HydrophobicContact CD2-CG1 4.27Å; L92-V117 HydrophobicContact CD2-CG2 4.07Å; F97-V117 HydrophobicContact CD2-CB 4.15Å; F97-V117 HydrophobicContact CD2-CG1 3.63Å; F97-V117 HydrophobicContact CE2-CG1 3.72Å; S98-V117 WeakPolarHBondContact O-CA 3.2Å; L99-V117 HydrophobicContact CD1-CG1 3.96Å; V117-F119 HydrophobicContact CG2-CD1 4.41Å; V117-F119 HydrophobicContact CG2-CE1 4.4Å; V117-E127 WeakPolarHBondContact O-CA 3.49Å; V117-E128 HydrophobicContact CG2-CB 4.33Å; V117-E128 WeakPolarHBondContact CG2-O 3.06Å; V117-E128 PolarHBondContact N-O 2.96Å; V117-E128 PolarHBondContact O-N 2.97Å; V117-L130 HydrophobicContact CG1-CB 4.08Å; V117-L130 HydrophobicContact CG1-CD2 3.93Å; V117-L130 HydrophobicContact CG1-CG 4.49Å; V117-L130 HydrophobicContact CG2-CB 4.29Å |
| 118 | R | 88 | Confident | 83.7 | Confident | 75 Ų | 75 | 57.5 Ų | 57.5 | 28% | 0.283 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 124.4 | 177.6 | -175.1 | -178.4 | 176.3 | 134.5 | -16.6 | 109.4 | F97 S98 L125 M126 E127 E370 | F97-R118 WeakPolarHBondContact CA-O 3.49Å; S98-R118 PolarHBondContact N-O 3.28Å; S98-R118 PolarHBondContact O-N 3.03Å; S98-R118 PolarHBondContact OG-O 3.44Å; R118-L125 HydrophobicContact CG-CD1 3.93Å; R118-L125 HydrophobicContact CG-CG 4.22Å; R118-M126 CarbonylContact C-O 3.51Å; R118-M126 VanDerWaalsContact CA-O 3.25Å; R118-M126 WeakPolarHBondContact CA-O 3.32Å; R118-E127 HydrophobicContact CB-CB 4.5Å; R118-E127 HydrophobicContact CB-CG 4.29Å; R118-E127 VanDerWaalsContact CD-OE2 3.26Å; R118-E127 WeakPolarHBondContact CD-OE2 3.38Å; R118-E127 HydrophobicContact CG-CB 4.34Å; R118-E127 HydrophobicContact CG-CG 4.45Å; R118-E127 IonicContact CZ-OE2 3.12Å; R118-E127 IonicContact NE-OE2 2.65Å; R118-E127 IonicContact NH1-OE2 2.77Å; R118-E127 PolarHBondContact NH1-OE2 3.38Å; R118-E370 IonicContact NH2-OE1 3.3Å; R118-E370 PolarHBondContact NH2-OE1 3.09Å |
| 119 | F | 84.7 | Confident | 84.5 | Confident | 3 Ų | 3 | 51.6 Ų | 51.6 | 1% | 0.013 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 158 | -167.6 | 67.2 | -82.2 | 0 | 0 | 0 | 113 | L88 L91 L92 K95 F97 V117 N121 M126 E128 | L88-F119 HydrophobicContact CD1-CE1 3.64Å; L88-F119 HydrophobicContact CD1-CZ 3.78Å; L91-F119 HydrophobicContact CB-CE2 4.22Å; L91-F119 HydrophobicContact CD1-CE2 4.11Å; L91-F119 HydrophobicContact CD1-CZ 4.2Å; L92-F119 HydrophobicContact CD2-CD1 4.21Å; K95-F119 HydrophobicContact CD-CD2 4.41Å; F97-F119 HydrophobicContact CB-CB 3.68Å; V117-F119 HydrophobicContact CG2-CD1 4.41Å; V117-F119 HydrophobicContact CG2-CE1 4.4Å; F119-N121 HydrophobicContact CD2-CB 4.33Å; F119-N121 HydrophobicContact CE2-CB 3.92Å; F119-M126 HydrophobicContact CD1-CB 4.2Å; F119-M126 HydrophobicContact CE1-CB 3.82Å; F119-M126 HydrophobicContact CE2-CB 4.16Å; F119-M126 HydrophobicContact CE2-SD 4.13Å; F119-M126 HydrophobicContact CZ-CB 3.81Å; F119-M126 HydrophobicContact CZ-CE 4.16Å; F119-M126 HydrophobicContact CZ-CG 4.44Å; F119-M126 HydrophobicContact CZ-SD 3.95Å; F119-M126 PolarHBondContact N-O 3.08Å; F119-M126 PolarHBondContact O-N 3.01Å; F119-E128 HydrophobicContact CE1-CG 4.17Å |
| 120 | W | 81.7 | Confident | 85.3 | Confident | 162 Ų | 162 | 45.3 Ų | 45.3 | 61% | 0.614 | 23% | 0.227 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 119.5 | 177.6 | -77.5 | 96.8 | 0 | 0 | 0 | 111.9 | L125 | W120-L125 HydrophobicContact CD2-CB 4.43Å; W120-L125 HydrophobicContact CD2-CD1 4.21Å; W120-L125 HydrophobicContact CE3-CB 4.35Å; W120-L125 HydrophobicContact CG-CD1 4.33Å; W120-L125 HydrophobicContact CH2-CB 4.09Å; W120-L125 HydrophobicContact CZ2-CB 4.17Å; W120-L125 HydrophobicContact CZ2-CD1 4.39Å; W120-L125 HydrophobicContact CZ2-CD2 4.36Å; W120-L125 HydrophobicContact CZ3-CB 4.18Å |
| 121 | N | 82.3 | Confident | 85.6 | Confident | 42 Ų | 42 | 43.9 Ų | 43.9 | 23% | 0.225 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 117 | 173.2 | -156.8 | 14.6 | 0 | 0 | 0 | 111.3 | K95 F119 N123 T124 M126 | K95-N121 PolarHBondContact NZ-OD1 3.22Å; F119-N121 HydrophobicContact CD2-CB 4.33Å; F119-N121 HydrophobicContact CE2-CB 3.92Å; N121-N123 PolarHBondContact O-N 2.63Å; N121-T124 PolarHBondContact N-O 3.44Å; N121-T124 PolarHBondContact O-N 2.73Å; N121-T124 VanDerWaalsContact O-O 3.1Å; N121-T124 PolarHBondContact O-OG1 2.89Å; N121-M126 HydrophobicContact CB-CG 3.9Å; N121-M126 HydrophobicContact CB-SD 3.4Å; N121-M126 WeakPolarHBondContact CB-SD 3.17Å; N121-M126 PolarHBondContact ND2-SD 3.48Å |
| 122 | A | 84.8 | Confident | 85.7 | Confident | 84 Ų | 84 | 45.3 Ų | 45.3 | 69% | 0.694 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 44.3 | -124.1 | -159.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | T124 | A122-T124 VanDerWaalsContact C-N 3.34Š|
| 123 | N | 83.8 | Confident | 85.9 | Confident | 156 Ų | 156 | 47.8 Ų | 47.8 | 83% | 0.834 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | 21.1 | 179.2 | -59.9 | -15.1 | 0 | 0 | 0 | 112.9 | N121 | N121-N123 PolarHBondContact O-N 2.63Š|
| 124 | T | 80.4 | Confident | 85.8 | Confident | 55 Ų | 55 | 52.1 Ų | 52.1 | 34% | 0.337 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 134.5 | -176.9 | 74.7 | 0 | 0 | 0 | 0 | 111.7 | N121 A122 M126 R303 | N121-T124 PolarHBondContact N-O 3.44Å; N121-T124 PolarHBondContact O-N 2.73Å; N121-T124 VanDerWaalsContact O-O 3.1Å; N121-T124 PolarHBondContact O-OG1 2.89Å; A122-T124 VanDerWaalsContact C-N 3.34Å; T124-M126 PolarHBondContact O-N 3.03Å; T124-R303 VanDerWaalsContact CB-NH2 3.27Å; T124-R303 PolarHBondContact OG1-NH2 2.71Å |
| 125 | L | 81 | Confident | 85.7 | Confident | 58 Ų | 58 | 51.4 Ų | 51.4 | 30% | 0.304 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 115.8 | 171.2 | -170.9 | 53 | 0 | 0 | 0 | 108 | R118 W120 R303 | R118-L125 HydrophobicContact CG-CD1 3.93Å; R118-L125 HydrophobicContact CG-CG 4.22Å; W120-L125 HydrophobicContact CD2-CB 4.43Å; W120-L125 HydrophobicContact CD2-CD1 4.21Å; W120-L125 HydrophobicContact CE3-CB 4.35Å; W120-L125 HydrophobicContact CG-CD1 4.33Å; W120-L125 HydrophobicContact CH2-CB 4.09Å; W120-L125 HydrophobicContact CZ2-CB 4.17Å; W120-L125 HydrophobicContact CZ2-CD1 4.39Å; W120-L125 HydrophobicContact CZ2-CD2 4.36Å; W120-L125 HydrophobicContact CZ3-CB 4.18Å; L125-R303 VanDerWaalsContact O-CZ 3.29Å; L125-R303 PolarHBondContact O-NH1 3.35Å; L125-R303 PolarHBondContact O-NH2 2.92Å |
| 126 | M | 82.3 | Confident | 85.4 | Confident | 28 Ų | 28 | 60.6 Ų | 60.6 | 14% | 0.138 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 147.4 | 174.1 | -73.4 | -172.8 | 68.4 | 0 | 0 | 109.7 | R118 F119 N121 T124 E128 R303 | R118-M126 CarbonylContact C-O 3.51Å; R118-M126 VanDerWaalsContact CA-O 3.25Å; R118-M126 WeakPolarHBondContact CA-O 3.32Å; F119-M126 HydrophobicContact CD1-CB 4.2Å; F119-M126 HydrophobicContact CE1-CB 3.82Å; F119-M126 HydrophobicContact CE2-CB 4.16Å; F119-M126 HydrophobicContact CE2-SD 4.13Å; F119-M126 HydrophobicContact CZ-CB 3.81Å; F119-M126 HydrophobicContact CZ-CE 4.16Å; F119-M126 HydrophobicContact CZ-CG 4.44Å; F119-M126 HydrophobicContact CZ-SD 3.95Å; F119-M126 PolarHBondContact N-O 3.08Å; F119-M126 PolarHBondContact O-N 3.01Å; N121-M126 HydrophobicContact CB-CG 3.9Å; N121-M126 HydrophobicContact CB-SD 3.4Å; N121-M126 WeakPolarHBondContact CB-SD 3.17Å; N121-M126 PolarHBondContact ND2-SD 3.48Å; T124-M126 PolarHBondContact O-N 3.03Å; M126-E128 HydrophobicContact CE-CG 3.94Å; M126-E128 WeakPolarHBondContact CE-OE1 3.28Å; M126-R303 VanDerWaalsContact CG-NH2 3.32Å |
| 127 | E | 86.5 | Confident | 84.5 | Confident | 96 Ų | 96 | 58.2 Ų | 58.2 | 45% | 0.449 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 117.3 | 173.8 | -171.4 | 171.2 | 104.2 | 0 | 0 | 105.9 | V117 R118 | V117-E127 WeakPolarHBondContact O-CA 3.49Å; R118-E127 HydrophobicContact CB-CB 4.5Å; R118-E127 HydrophobicContact CB-CG 4.29Å; R118-E127 VanDerWaalsContact CD-OE2 3.26Å; R118-E127 WeakPolarHBondContact CD-OE2 3.38Å; R118-E127 HydrophobicContact CG-CB 4.34Å; R118-E127 HydrophobicContact CG-CG 4.45Å; R118-E127 IonicContact CZ-OE2 3.12Å; R118-E127 IonicContact NE-OE2 2.65Å; R118-E127 IonicContact NH1-OE2 2.77Å; R118-E127 PolarHBondContact NH1-OE2 3.38Å |
| 128 | E | 84.8 | Confident | 83.9 | Confident | 13 Ų | 13 | 60.5 Ų | 60.5 | 6% | 0.061 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 150.5 | -172.1 | -59.3 | -64.7 | 164.2 | 0 | 0 | 108.4 | L88 Y116 V117 F119 M126 S306 | L88-E128 HydrophobicContact CD1-CB 4.15Å; L88-E128 HydrophobicContact CD1-CG 4.26Å; L88-E128 HydrophobicContact CD2-CB 3.95Å; Y116-E128 CarbonylContact C-O 3.59Å; Y116-E128 WeakPolarHBondContact CA-O 3.4Å; V117-E128 HydrophobicContact CG2-CB 4.33Å; V117-E128 WeakPolarHBondContact CG2-O 3.06Å; V117-E128 PolarHBondContact N-O 2.96Å; V117-E128 PolarHBondContact O-N 2.97Å; F119-E128 HydrophobicContact CE1-CG 4.17Å; M126-E128 HydrophobicContact CE-CG 3.94Å; M126-E128 WeakPolarHBondContact CE-OE1 3.28Å; E128-S306 WeakPolarHBondContact OE2-CB 3.38Å; E128-S306 PolarHBondContact OE2-OG 2.77Å |
| 129 | M | 86 | Confident | 83 | Confident | 20 Ų | 20 | 61.5 Ų | 61.5 | 10% | 0.099 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 132.6 | 167.5 | 176.5 | 179.7 | -74.5 | 0 | 0 | 109.4 | L88 A115 Y116 V132 L310 I314 | L88-M129 WeakPolarHBondContact CD2-O 3.39Å; A115-M129 WeakPolarHBondContact O-CG 3.39Å; Y116-M129 HydrophobicContact CD1-CB 3.97Å; Y116-M129 HydrophobicContact CD1-CE 4.24Å; Y116-M129 HydrophobicContact CD2-CE 4.33Å; Y116-M129 HydrophobicContact CE1-CB 4.12Å; Y116-M129 HydrophobicContact CE1-CE 3.51Å; Y116-M129 HydrophobicContact CE2-CE 3.61Å; Y116-M129 WeakPolarHBondContact OH-CE 3.19Å; M129-V132 HydrophobicContact CE-CG2 4.15Å; M129-V132 HydrophobicContact SD-CG2 3.48Å; M129-V132 WeakPolarHBondContact SD-CG2 3.2Å; M129-L310 HydrophobicContact CB-CD2 3.6Å; M129-L310 HydrophobicContact CB-CG 4.18Å; M129-L310 HydrophobicContact CG-CD2 3.75Å; M129-L310 HydrophobicContact CG-CG 4.16Å; M129-L310 WeakPolarHBondContact O-CD2 3.29Å; M129-L310 HydrophobicContact SD-CD1 4.24Å; M129-L310 HydrophobicContact SD-CD2 4.05Å; M129-L310 HydrophobicContact SD-CG 3.76Å; M129-I314 HydrophobicContact CE-CD1 3.53Å; M129-I314 HydrophobicContact SD-CD1 3.44Å; M129-I314 WeakPolarHBondContact SD-CD1 3.32Å; M129-I314 HydrophobicContact SD-CG1 4.41Å |
| 130 | L | 90.6 | Very high | 82.9 | Confident | 6 Ų | 6 | 66.8 Ų | 66.8 | 3% | 0.031 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | -51.4 | -179.7 | -178.1 | 59.3 | 0 | 0 | 0 | 111.4 | L88 L92 A115 V117 Y151 F152 | L88-L130 HydrophobicContact CD2-CD1 4.16Å; L88-L130 HydrophobicContact CG-CD1 4.48Å; L92-L130 HydrophobicContact CD1-CD1 3.43Å; L92-L130 VanDerWaalsContact CD1-CD1 3.43Å; L92-L130 HydrophobicContact CD1-CD2 4.45Å; A115-L130 HydrophobicContact CB-CB 4.29Å; A115-L130 PolarHBondContact O-N 2.93Å; V117-L130 HydrophobicContact CG1-CB 4.08Å; V117-L130 HydrophobicContact CG1-CD2 3.93Å; V117-L130 HydrophobicContact CG1-CG 4.49Å; V117-L130 HydrophobicContact CG2-CB 4.29Å; L130-Y151 HydrophobicContact CD1-CE1 3.71Å; L130-Y151 HydrophobicContact CD2-CD1 4.21Å; L130-Y151 HydrophobicContact CD2-CE1 3.82Å; L130-Y151 HydrophobicContact CG-CD1 4.41Å; L130-Y151 HydrophobicContact CG-CE1 3.63Å; L130-F152 HydrophobicContact CD2-CE1 3.91Å; L130-F152 HydrophobicContact CD2-CZ 4.45Å |
| 131 | F | 87.9 | Confident | 83.1 | Confident | 9 Ų | 9 | 59 Ų | 59 | 4% | 0.039 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 162.7 | 174.8 | 64.8 | -108.9 | 0 | 0 | 0 | 111.7 | L113 A115 R133 I148 Y151 | L113-F131 HydrophobicContact CD2-CE2 4.28Å; L113-F131 HydrophobicContact CG-CE2 4.23Å; A115-F131 HydrophobicContact CB-CD1 3.89Å; A115-F131 HydrophobicContact CB-CD2 3.98Å; A115-F131 HydrophobicContact CB-CE1 3.69Å; A115-F131 HydrophobicContact CB-CE2 3.79Å; A115-F131 HydrophobicContact CB-CG 4.04Å; A115-F131 HydrophobicContact CB-CZ 3.65Å; A115-F131 PolarHBondContact N-O 3.4Å; A115-F131 PolarHBondContact O-N 2.83Å; F131-R133 HydrophobicContact CD2-CB 4.11Å; F131-R133 HydrophobicContact CD2-CG 3.82Å; F131-R133 HydrophobicContact CE2-CB 4.23Å; F131-R133 HydrophobicContact CE2-CG 4.22Å; F131-R133 HydrophobicContact CG-CG 4.4Å; F131-I148 HydrophobicContact CE1-CG1 4.44Å; F131-I148 HydrophobicContact CZ-CG1 3.76Å; F131-Y151 HydrophobicContact CB-CD2 4.25Å; F131-Y151 HydrophobicContact CB-CE2 3.9Å; F131-Y151 AromaticContact CD1-CD1 3.63Å; F131-Y151 HydrophobicContact CD1-CD1 3.63Å; F131-Y151 AromaticContact CD1-CD2 3.48Å; F131-Y151 HydrophobicContact CD1-CD2 3.48Å; F131-Y151 VanDerWaalsContact CD1-CD2 3.48Å; F131-Y151 AromaticContact CD1-CE1 3.87Å; F131-Y151 HydrophobicContact CD1-CE1 3.87Å; F131-Y151 AromaticContact CD1-CE2 3.73Å; F131-Y151 HydrophobicContact CD1-CE2 3.73Å; F131-Y151 AromaticContact CD1-CG 3.44Å; F131-Y151 HydrophobicContact CD1-CG 3.44Å; F131-Y151 VanDerWaalsContact CD1-CG 3.44Å; F131-Y151 AromaticContact CD1-CZ 3.92Å; F131-Y151 AromaticContact CE1-CD1 3.78Å; F131-Y151 HydrophobicContact CE1-CD1 3.78Å; F131-Y151 HydrophobicContact CE1-CD2 4.03Å; F131-Y151 HydrophobicContact CE1-CE1 4.43Å; F131-Y151 AromaticContact CE1-CG 3.56Å; F131-Y151 HydrophobicContact CE1-CG 3.56Å; F131-Y151 HydrophobicContact CG-CD2 4.07Å; F131-Y151 HydrophobicContact CG-CE2 4.18Å; F131-Y151 HydrophobicContact CG-CG 4.42Å |
| 132 | V | 86.6 | Confident | 83.4 | Confident | 30 Ų | 30 | 61.8 Ų | 61.8 | 18% | 0.182 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 136 | 150 | -178.6 | 0 | 0 | 0 | 0 | 107 | L112 L113 M114 M129 I314 | L112-V132 HydrophobicContact CB-CG1 3.98Å; L112-V132 HydrophobicContact CD1-CG1 4.32Å; L112-V132 HydrophobicContact CD2-CG1 4.12Å; L112-V132 HydrophobicContact CG-CG1 4.36Å; L113-V132 WeakPolarHBondContact O-CA 3.48Å; M114-V132 HydrophobicContact CB-CG2 4.4Å; M114-V132 HydrophobicContact CG-CG1 4.08Å; M114-V132 HydrophobicContact CG-CG2 3.82Å; M129-V132 HydrophobicContact CE-CG2 4.15Å; M129-V132 HydrophobicContact SD-CG2 3.48Å; M129-V132 WeakPolarHBondContact SD-CG2 3.2Å; V132-I314 HydrophobicContact CB-CG1 4.48Å; V132-I314 HydrophobicContact CG2-CD1 3.78Å; V132-I314 HydrophobicContact CG2-CG1 3.64Å |
| 133 | R | 88.4 | Confident | 83.7 | Confident | 60 Ų | 60 | 59.6 Ų | 59.6 | 23% | 0.226 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 135 | 173.3 | -77.1 | -168.4 | 170.8 | -157.2 | -0.8 | 110.1 | L113 F131 I135 E147 E154 | L113-R133 PolarHBondContact N-O 3.44Å; L113-R133 PolarHBondContact O-N 2.9Å; F131-R133 HydrophobicContact CD2-CB 4.11Å; F131-R133 HydrophobicContact CD2-CG 3.82Å; F131-R133 HydrophobicContact CE2-CB 4.23Å; F131-R133 HydrophobicContact CE2-CG 4.22Å; F131-R133 HydrophobicContact CG-CG 4.4Å; R133-I135 PolarHBondContact O-N 3.47Å; R133-E147 WeakPolarHBondContact CD-OE2 3.42Å; R133-E147 IonicContact NH1-OE2 3.7Å; R133-E147 PolarHBondContact NH1-OE2 3.16Å; R133-E147 VanDerWaalsContact NH1-OE2 3.11Å; R133-E154 IonicContact CZ-OE2 2.9Å; R133-E154 IonicContact NH1-OE2 3.99Å; R133-E154 IonicContact NH2-OE1 2.68Å; R133-E154 PolarHBondContact NH2-OE1 2.93Å; R133-E154 IonicContact NH2-OE2 2.65Å; R133-E154 PolarHBondContact NH2-OE2 3.44Å |
| 134 | K | 86.2 | Confident | 84 | Confident | 90 Ų | 90 | 52.2 Ų | 52.2 | 39% | 0.391 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 123.9 | 170.5 | -172.3 | 170.8 | -179.6 | 178.7 | 0 | 109.8 | L106 D110 L112 H321 | L106-K134 HydrophobicContact CD1-CD 4.48Å; D110-K134 HydrophobicContact CB-CG 4.46Å; D110-K134 WeakPolarHBondContact OD2-CE 3.39Å; D110-K134 IonicContact OD2-NZ 3.77Å; D110-K134 PolarHBondContact OD2-NZ 2.98Å; L112-K134 HydrophobicContact CD2-CB 4.16Å; L112-K134 HydrophobicContact CD2-CG 4.46Å; K134-H321 PolarHBondContact NZ-CE1 3.25Å; K134-H321 PolarHBondContact NZ-NE2 3.19Å |
| 135 | I | 87 | Confident | 84.5 | Confident | 10 Ų | 10 | 50.2 Ų | 50.2 | 5% | 0.051 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 162.1 | 177 | 70 | 166.6 | 0 | 0 | 0 | 109.7 | D110 A111 L113 R133 M144 E147 | D110-I135 WeakPolarHBondContact CA-O 3.1Å; A111-I135 HydrophobicContact CB-CD1 4.49Å; A111-I135 HydrophobicContact CB-CG1 3.96Å; A111-I135 PolarHBondContact N-O 3.46Å; A111-I135 PolarHBondContact O-N 3.11Å; A111-I135 VanDerWaalsContact O-O 3.11Å; L113-I135 HydrophobicContact CB-CD1 4.14Å; L113-I135 HydrophobicContact CB-CG1 4.33Å; L113-I135 HydrophobicContact CB-CG2 3.84Å; L113-I135 HydrophobicContact CD2-CG2 4.23Å; R133-I135 PolarHBondContact O-N 3.47Å; I135-M144 HydrophobicContact CD1-CG 3.88Å; I135-E147 HydrophobicContact CG2-CB 4.38Å; I135-E147 HydrophobicContact CG2-CG 3.9Å |
| 136 | R | 81.1 | Confident | 85.2 | Confident | 193 Ų | 193 | 48.4 Ų | 48.4 | 73% | 0.728 | 24% | 0.237 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 132.2 | 169.8 | -63.6 | -176.9 | 65.6 | 177.4 | 0.6 | 109.1 | D138 | R136-D138 PolarHBondContact O-N 2.73Å |
| 137 | S | 71.5 | Confident | 85.7 | Confident | 31 Ų | 31 | 49.4 Ų | 49.4 | 22% | 0.217 | 24% | 0.241 | C | C | . | . | trans | -77.2 | 70.7 | 176.1 | -168.3 | 0 | 0 | 0 | 0 | 110.3 | N109 | N109-S137 WeakPolarHBondContact O-CA 3.36Å; N109-S137 WeakPolarHBondContact O-CB 3.34Å; N109-S137 PolarHBondContact O-N 3.01Å | ||
| 138 | D | 76.8 | Confident | 86 | Confident | 50 Ų | 50 | 44.8 Ų | 44.8 | 27% | 0.267 | 22% | 0.22 | S | C | . | . | trans | -94.7 | 2.8 | 174.4 | 87.2 | -18.2 | 0 | 0 | 0 | 113 | R136 K140 T143 | R136-D138 PolarHBondContact O-N 2.73Å; D138-K140 PolarHBondContact O-N 3.28Å; D138-K140 WeakPolarHBondContact OD1-CB 3.31Å; D138-K140 PolarHBondContact OD1-N 3.07Å; D138-K140 VanDerWaalsContact OD1-N 3.08Å; D138-K140 VanDerWaalsContact OD2-CD 3.23Å; D138-K140 WeakPolarHBondContact OD2-CD 3.35Å; D138-K140 WeakPolarHBondContact OD2-CE 3.25Å; D138-K140 IonicContact OD2-NZ 3.55Å; D138-K140 PolarHBondContact OD2-NZ 3.21Å; D138-T143 VanDerWaalsContact CG-OG1 3.31Å; D138-T143 WeakPolarHBondContact OD1-CB 3.32Å; D138-T143 PolarHBondContact OD1-OG1 3.39Å; D138-T143 PolarHBondContact OD2-OG1 3.04Å | ||
| 139 | T | 69.1 | Low | 86.5 | Confident | 95 Ų | 95 | 46.8 Ų | 46.8 | 58% | 0.583 | 23% | 0.229 | S | C | * | . | trans | 59.6 | 17.2 | 179.9 | 68.9 | 0 | 0 | 0 | 0 | 115.2 | S172 | T139-S172 WeakPolarHBondContact O-CA 3.27Å; T139-S172 WeakPolarHBondContact O-CB 3.44Å | ||
| 140 | K | 81.8 | Confident | 87 | Confident | 114 Ų | 114 | 49.5 Ų | 49.5 | 50% | 0.496 | 24% | 0.244 | S | C | . | . | trans | -96.9 | 126.5 | -179.3 | -59.1 | 173.7 | -153.6 | 136.9 | 0 | 111.6 | D138 L142 T143 M144 | D138-K140 PolarHBondContact O-N 3.28Å; D138-K140 WeakPolarHBondContact OD1-CB 3.31Å; D138-K140 PolarHBondContact OD1-N 3.07Å; D138-K140 VanDerWaalsContact OD1-N 3.08Å; D138-K140 VanDerWaalsContact OD2-CD 3.23Å; D138-K140 WeakPolarHBondContact OD2-CD 3.35Å; D138-K140 WeakPolarHBondContact OD2-CE 3.25Å; D138-K140 IonicContact OD2-NZ 3.55Å; D138-K140 PolarHBondContact OD2-NZ 3.21Å; K140-L142 HydrophobicContact CB-CB 4.49Å; K140-L142 PolarHBondContact O-N 2.57Å; K140-L142 VanDerWaalsContact O-N 3.11Å; K140-T143 WeakPolarHBondContact O-CB 3.44Å; K140-T143 PolarHBondContact O-N 3.3Å; K140-M144 PolarHBondContact O-N 3.2Å | ||
| 141 | G | 85.5 | Confident | 87.3 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -56 | -25.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | F145 S172 F180 | G141-F145 WeakPolarHBondContact O-CB 3.32Å; G141-F145 PolarHBondContact O-N 3.31Å; G141-S172 WeakPolarHBondContact CA-O 3.42Å; G141-S172 PolarHBondContact N-O 2.97Å; G141-S172 VanDerWaalsContact N-O 3.08Å; G141-F180 VanDerWaalsContact CA-N 3.28Å; G141-F180 WeakPolarHBondContact O-CA 3.24Å |
| 142 | L | 90 | Very high | 87.7 | Confident | 99 Ų | 99 | 49 Ų | 49 | 52% | 0.518 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -64.5 | -36.4 | 172.2 | -177 | 60.6 | 0 | 0 | 0 | 112.7 | K140 F145 G146 | K140-L142 HydrophobicContact CB-CB 4.49Å; K140-L142 PolarHBondContact O-N 2.57Å; K140-L142 VanDerWaalsContact O-N 3.11Å; L142-F145 PolarHBondContact O-N 2.95Å; L142-G146 PolarHBondContact O-N 2.9Å |
| 143 | T | 90.2 | Very high | 88.2 | Confident | 39 Ų | 39 | 52.2 Ų | 52.2 | 24% | 0.239 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -68.7 | -49.4 | 179.9 | -52.2 | 0 | 0 | 0 | 0 | 110.3 | D138 K140 F145 G146 E147 | D138-T143 VanDerWaalsContact CG-OG1 3.31Å; D138-T143 WeakPolarHBondContact OD1-CB 3.32Å; D138-T143 PolarHBondContact OD1-OG1 3.39Å; D138-T143 PolarHBondContact OD2-OG1 3.04Å; K140-T143 WeakPolarHBondContact O-CB 3.44Å; K140-T143 PolarHBondContact O-N 3.3Å; T143-F145 VanDerWaalsContact C-N 3.34Å; T143-F145 PolarHBondContact O-N 3.35Å; T143-G146 PolarHBondContact O-N 3.14Å; T143-E147 PolarHBondContact O-N 3.43Å; T143-E147 VanDerWaalsContact O-N 3.09Å |
| 144 | M | 89.4 | Confident | 88.6 | Confident | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.7 | -41.6 | 173.6 | -65.6 | -177.6 | -110.2 | 0 | 0 | 112.5 | E103 L113 I135 K140 E147 I148 I173 F180 | E103-M144 HydrophobicContact CB-SD 4.25Å; E103-M144 WeakPolarHBondContact OE2-CE 3.48Å; L113-M144 HydrophobicContact CD1-CB 4.13Å; L113-M144 HydrophobicContact CD1-CG 3.82Å; L113-M144 HydrophobicContact CD1-SD 4.04Å; L113-M144 HydrophobicContact CD2-CB 4.21Å; L113-M144 HydrophobicContact CD2-CG 4.43Å; I135-M144 HydrophobicContact CD1-CG 3.88Å; K140-M144 PolarHBondContact O-N 3.2Å; M144-E147 PolarHBondContact O-N 3.07Å; M144-I148 WeakPolarHBondContact O-CG1 3.3Å; M144-I148 PolarHBondContact O-N 2.89Å; M144-I148 VanDerWaalsContact O-N 3.11Å; M144-I173 HydrophobicContact CE-CD1 4.21Å; M144-I173 HydrophobicContact CE-CG1 3.62Å; M144-I173 HydrophobicContact SD-CD1 3.82Å; M144-I173 HydrophobicContact SD-CG1 3.85Å; M144-F180 HydrophobicContact CB-CD2 4.2Å |
| 145 | F | 92.4 | Very high | 89.1 | Confident | 12 Ų | 12 | 51.6 Ų | 51.6 | 5% | 0.053 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.2 | -43 | 177.1 | 177.9 | -95.7 | 0 | 0 | 0 | 111.6 | G141 L142 T143 I148 Q149 F159 F180 H183 L184 M187 | G141-F145 WeakPolarHBondContact O-CB 3.32Å; G141-F145 PolarHBondContact O-N 3.31Å; L142-F145 PolarHBondContact O-N 2.95Å; T143-F145 VanDerWaalsContact C-N 3.34Å; T143-F145 PolarHBondContact O-N 3.35Å; F145-I148 PolarHBondContact O-N 3.32Å; F145-Q149 HydrophobicContact CE1-CB 4.18Å; F145-Q149 HydrophobicContact CZ-CB 4.27Å; F145-Q149 VanDerWaalsContact O-CB 3.28Å; F145-Q149 WeakPolarHBondContact O-CB 3.34Å; F145-Q149 PolarHBondContact O-N 3.09Å; F145-F159 HydrophobicContact CE2-CE1 4.5Å; F145-F180 HydrophobicContact CB-CD2 3.8Å; F145-F180 HydrophobicContact CB-CE2 4.26Å; F145-F180 HydrophobicContact CD2-CD2 4.31Å; F145-F180 HydrophobicContact CD2-CE2 4.1Å; F145-H183 HydrophobicContact CB-CB 3.98Å; F145-H183 HydrophobicContact CD1-CB 3.86Å; F145-H183 HydrophobicContact CD2-CB 3.88Å; F145-H183 HydrophobicContact CE1-CB 4.44Å; F145-H183 HydrophobicContact CE2-CB 4.46Å; F145-H183 HydrophobicContact CG-CB 3.57Å; F145-L184 HydrophobicContact CD2-CB 4.39Å; F145-L184 HydrophobicContact CE2-CB 4.47Å; F145-L184 HydrophobicContact CE2-CD1 4.27Å; F145-M187 HydrophobicContact CE2-CG 4.42Å; F145-M187 HydrophobicContact CZ-CG 3.73Å |
| 146 | G | 94 | Very high | 89.6 | Confident | 20 Ų | 20 | 55 Ų | 55 | 21% | 0.206 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -57.8 | -47.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L142 T143 Q149 N150 | L142-G146 PolarHBondContact O-N 2.9Å; T143-G146 PolarHBondContact O-N 3.14Å; G146-Q149 CarbonylContact O-C 3.53Å; G146-Q149 PolarHBondContact O-N 3.37Å; G146-N150 WeakPolarHBondContact O-CB 3.28Å; G146-N150 PolarHBondContact O-N 3.41Å; G146-N150 PolarHBondContact O-ND2 2.59Å; G146-N150 PolarHBondContact O-OD1 2.82Å |
| 147 | E | 93.2 | Very high | 90.3 | Very high | 49 Ų | 49 | 46 Ų | 46 | 23% | 0.229 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -69.1 | -37.8 | 178.9 | -80.8 | -54.4 | 112.6 | 0 | 0 | 114 | L113 R133 I135 T143 M144 Q149 N150 Y151 | L113-E147 HydrophobicContact CD2-CB 4.02Å; R133-E147 WeakPolarHBondContact CD-OE2 3.42Å; R133-E147 IonicContact NH1-OE2 3.7Å; R133-E147 PolarHBondContact NH1-OE2 3.16Å; R133-E147 VanDerWaalsContact NH1-OE2 3.11Å; I135-E147 HydrophobicContact CG2-CB 4.38Å; I135-E147 HydrophobicContact CG2-CG 3.9Å; T143-E147 PolarHBondContact O-N 3.43Å; T143-E147 VanDerWaalsContact O-N 3.09Å; M144-E147 PolarHBondContact O-N 3.07Å; E147-Q149 VanDerWaalsContact C-N 3.31Å; E147-Q149 PolarHBondContact O-N 2.83Å; E147-N150 PolarHBondContact O-N 3.07Å; E147-N150 PolarHBondContact OE1-ND2 2.91Å; E147-Y151 WeakPolarHBondContact O-CB 3.45Å; E147-Y151 PolarHBondContact O-N 2.82Å |
| 148 | I | 94.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.9 | -40.1 | 171.4 | -73.3 | 162.1 | 0 | 0 | 0 | 110.5 | L99 V101 L113 F131 M144 F145 F152 F159 F180 | L99-I148 HydrophobicContact CD2-CD1 4.43Å; L99-I148 HydrophobicContact CD2-CG2 4.37Å; V101-I148 HydrophobicContact CG1-CD1 3.94Å; V101-I148 HydrophobicContact CG2-CD1 3.72Å; L113-I148 HydrophobicContact CD2-CD1 4.36Å; L113-I148 HydrophobicContact CD2-CG1 4.22Å; F131-I148 HydrophobicContact CE1-CG1 4.44Å; F131-I148 HydrophobicContact CZ-CG1 3.76Å; M144-I148 WeakPolarHBondContact O-CG1 3.3Å; M144-I148 PolarHBondContact O-N 2.89Å; M144-I148 VanDerWaalsContact O-N 3.11Å; F145-I148 PolarHBondContact O-N 3.32Å; I148-F152 HydrophobicContact CG2-CD1 4.04Å; I148-F152 HydrophobicContact CG2-CE1 3.95Å; I148-F152 WeakPolarHBondContact O-CB 3.46Å; I148-F152 WeakPolarHBondContact O-CD1 3.36Å; I148-F152 PolarHBondContact O-N 2.85Å; I148-F159 HydrophobicContact CG2-CE1 4.46Å; I148-F159 HydrophobicContact CG2-CZ 4.41Å; I148-F180 HydrophobicContact CB-CE2 4.5Å; I148-F180 HydrophobicContact CD1-CD2 4.26Å; I148-F180 HydrophobicContact CD1-CE2 3.38Å; I148-F180 HydrophobicContact CD1-CZ 3.66Å; I148-F180 HydrophobicContact CG1-CE2 4.5Å |
| 149 | Q | 95.6 | Very high | 92.4 | Very high | 54 Ų | 54 | 45.2 Ų | 45.2 | 25% | 0.252 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -67.7 | -41.3 | 175.9 | 178.9 | 165.7 | 70.8 | 0 | 0 | 112.9 | F145 G146 E147 F152 N153 F159 | F145-Q149 HydrophobicContact CE1-CB 4.18Å; F145-Q149 HydrophobicContact CZ-CB 4.27Å; F145-Q149 VanDerWaalsContact O-CB 3.28Å; F145-Q149 WeakPolarHBondContact O-CB 3.34Å; F145-Q149 PolarHBondContact O-N 3.09Å; G146-Q149 CarbonylContact O-C 3.53Å; G146-Q149 PolarHBondContact O-N 3.37Å; E147-Q149 VanDerWaalsContact C-N 3.31Å; E147-Q149 PolarHBondContact O-N 2.83Å; Q149-F152 PolarHBondContact O-N 2.8Å; Q149-N153 WeakPolarHBondContact O-CB 3.42Å; Q149-N153 PolarHBondContact O-N 2.94Å; Q149-N153 PolarHBondContact O-ND2 2.8Å; Q149-F159 HydrophobicContact CB-CE2 4.26Å; Q149-F159 HydrophobicContact CB-CZ 4.01Å; Q149-F159 HydrophobicContact CG-CE2 4.17Å; Q149-F159 HydrophobicContact CG-CZ 4.38Å |
| 150 | N | 96.3 | Very high | 93.6 | Very high | 78 Ų | 78 | 47 Ų | 47 | 42% | 0.417 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -59.6 | -51.4 | 174.6 | -70.4 | -21 | 0 | 0 | 0 | 110.2 | G146 E147 F152 N153 E154 | G146-N150 WeakPolarHBondContact O-CB 3.28Å; G146-N150 PolarHBondContact O-N 3.41Å; G146-N150 PolarHBondContact O-ND2 2.59Å; G146-N150 PolarHBondContact O-OD1 2.82Å; E147-N150 PolarHBondContact O-N 3.07Å; E147-N150 PolarHBondContact OE1-ND2 2.91Å; N150-F152 PolarHBondContact O-N 3.1Å; N150-N153 PolarHBondContact O-N 3.47Å; N150-E154 WeakPolarHBondContact O-CB 2.97Å; N150-E154 PolarHBondContact O-N 3.43Å |
| 151 | Y | 95.8 | Very high | 94.2 | Very high | 2 Ų | 2 | 42.1 Ų | 42.1 | 1% | 0.008 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59 | -45.8 | 177.4 | -175 | -86 | 0 | 0 | 0 | 112.6 | E85 L130 F131 E147 N153 E154 K155 I157 | E85-Y151 WeakPolarHBondContact CG-OH 3.46Å; E85-Y151 VanDerWaalsContact OE1-CE2 3.24Å; E85-Y151 WeakPolarHBondContact OE1-CE2 3.4Å; E85-Y151 PolarHBondContact OE1-OH 3.44Å; L130-Y151 HydrophobicContact CD1-CE1 3.71Å; L130-Y151 HydrophobicContact CD2-CD1 4.21Å; L130-Y151 HydrophobicContact CD2-CE1 3.82Å; L130-Y151 HydrophobicContact CG-CD1 4.41Å; L130-Y151 HydrophobicContact CG-CE1 3.63Å; F131-Y151 HydrophobicContact CB-CD2 4.25Å; F131-Y151 HydrophobicContact CB-CE2 3.9Å; F131-Y151 AromaticContact CD1-CD1 3.63Å; F131-Y151 HydrophobicContact CD1-CD1 3.63Å; F131-Y151 AromaticContact CD1-CD2 3.48Å; F131-Y151 HydrophobicContact CD1-CD2 3.48Å; F131-Y151 VanDerWaalsContact CD1-CD2 3.48Å; F131-Y151 AromaticContact CD1-CE1 3.87Å; F131-Y151 HydrophobicContact CD1-CE1 3.87Å; F131-Y151 AromaticContact CD1-CE2 3.73Å; F131-Y151 HydrophobicContact CD1-CE2 3.73Å; F131-Y151 AromaticContact CD1-CG 3.44Å; F131-Y151 HydrophobicContact CD1-CG 3.44Å; F131-Y151 VanDerWaalsContact CD1-CG 3.44Å; F131-Y151 AromaticContact CD1-CZ 3.92Å; F131-Y151 AromaticContact CE1-CD1 3.78Å; F131-Y151 HydrophobicContact CE1-CD1 3.78Å; F131-Y151 HydrophobicContact CE1-CD2 4.03Å; F131-Y151 HydrophobicContact CE1-CE1 4.43Å; F131-Y151 AromaticContact CE1-CG 3.56Å; F131-Y151 HydrophobicContact CE1-CG 3.56Å; F131-Y151 HydrophobicContact CG-CD2 4.07Å; F131-Y151 HydrophobicContact CG-CE2 4.18Å; F131-Y151 HydrophobicContact CG-CG 4.42Å; E147-Y151 WeakPolarHBondContact O-CB 3.45Å; E147-Y151 PolarHBondContact O-N 2.82Å; Y151-N153 VanDerWaalsContact C-N 3.34Å; Y151-N153 PolarHBondContact O-N 3.3Å; Y151-E154 PolarHBondContact O-N 2.72Å; Y151-K155 HydrophobicContact CD1-CG 4.42Å; Y151-K155 HydrophobicContact CE1-CB 4.26Å; Y151-K155 HydrophobicContact CE1-CG 3.93Å; Y151-K155 HydrophobicContact CE2-CG 4.07Å; Y151-K155 WeakPolarHBondContact O-CB 3.49Å; Y151-K155 PolarHBondContact O-N 3.11Å; Y151-I157 HydrophobicContact CD1-CD1 4.38Å; Y151-I157 HydrophobicContact CE1-CD1 3.92Å |
| 152 | F | 96.9 | Very high | 94.5 | Very high | 1 Ų | 1 | 42.6 Ų | 42.6 | 0% | 0.004 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66 | -37.1 | -179.5 | -86.4 | 51.4 | 0 | 0 | 0 | 112 | F97 L130 I148 Q149 N150 S156 I157 F159 V162 | F97-F152 HydrophobicContact CE2-CE2 4.28Å; F97-F152 AromaticContact CE2-CZ 3.92Å; F97-F152 HydrophobicContact CE2-CZ 3.92Å; F97-F152 AromaticContact CZ-CE2 3.7Å; F97-F152 HydrophobicContact CZ-CE2 3.7Å; F97-F152 AromaticContact CZ-CZ 3.72Å; F97-F152 HydrophobicContact CZ-CZ 3.72Å; L130-F152 HydrophobicContact CD2-CE1 3.91Å; L130-F152 HydrophobicContact CD2-CZ 4.45Å; I148-F152 HydrophobicContact CG2-CD1 4.04Å; I148-F152 HydrophobicContact CG2-CE1 3.95Å; I148-F152 WeakPolarHBondContact O-CB 3.46Å; I148-F152 WeakPolarHBondContact O-CD1 3.36Å; I148-F152 PolarHBondContact O-N 2.85Å; Q149-F152 PolarHBondContact O-N 2.8Å; N150-F152 PolarHBondContact O-N 3.1Å; F152-S156 CarbonylContact O-C 3.58Å; F152-S156 WeakPolarHBondContact O-CA 3.43Å; F152-S156 PolarHBondContact O-N 3.19Å; F152-I157 HydrophobicContact CB-CB 4.46Å; F152-I157 HydrophobicContact CD2-CB 3.97Å; F152-I157 HydrophobicContact CD2-CG2 3.91Å; F152-I157 HydrophobicContact CE2-CB 4.46Å; F152-I157 HydrophobicContact CE2-CG2 3.94Å; F152-I157 HydrophobicContact CG-CB 4.2Å; F152-I157 PolarHBondContact O-N 3.24Å; F152-F159 HydrophobicContact CB-CD2 4.11Å; F152-F159 HydrophobicContact CB-CE2 3.55Å; F152-F159 HydrophobicContact CB-CZ 3.96Å; F152-F159 HydrophobicContact CD2-CD1 4.16Å; F152-F159 HydrophobicContact CD2-CD2 4.09Å; F152-F159 HydrophobicContact CD2-CE1 4.13Å; F152-F159 HydrophobicContact CD2-CE2 4.05Å; F152-F159 HydrophobicContact CD2-CG 4.15Å; F152-F159 HydrophobicContact CD2-CZ 4.08Å; F152-F159 HydrophobicContact CE2-CD1 4.47Å; F152-F159 HydrophobicContact CG-CD2 4.49Å; F152-F159 HydrophobicContact CG-CE1 4.49Å; F152-F159 HydrophobicContact CG-CE2 4.04Å; F152-F159 HydrophobicContact CG-CZ 4.05Å; F152-V162 HydrophobicContact CE2-CG2 3.62Å; F152-V162 HydrophobicContact CZ-CG2 4.07Å |
| 153 | N | 97.1 | Very high | 94.4 | Very high | 99 Ų | 99 | 42.6 Ų | 42.6 | 53% | 0.529 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -70.3 | -47.4 | 175.2 | -68.9 | -19.2 | 0 | 0 | 0 | 111.4 | Q149 N150 Y151 S156 | Q149-N153 WeakPolarHBondContact O-CB 3.42Å; Q149-N153 PolarHBondContact O-N 2.94Å; Q149-N153 PolarHBondContact O-ND2 2.8Å; N150-N153 PolarHBondContact O-N 3.47Å; Y151-N153 VanDerWaalsContact C-N 3.34Å; Y151-N153 PolarHBondContact O-N 3.3Å; N153-S156 PolarHBondContact O-N 2.97Å; N153-S156 VanDerWaalsContact O-N 3.08Å |
| 154 | E | 97 | Very high | 94.4 | Very high | 116 Ų | 116 | 41.5 Ų | 41.5 | 54% | 0.542 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -57 | -49.5 | 177.9 | -178.4 | -166.6 | 140.5 | 0 | 0 | 111.8 | R133 N150 Y151 S156 | R133-E154 IonicContact CZ-OE2 2.9Å; R133-E154 IonicContact NH1-OE2 3.99Å; R133-E154 IonicContact NH2-OE1 2.68Å; R133-E154 PolarHBondContact NH2-OE1 2.93Å; R133-E154 IonicContact NH2-OE2 2.65Å; R133-E154 PolarHBondContact NH2-OE2 3.44Å; N150-E154 WeakPolarHBondContact O-CB 2.97Å; N150-E154 PolarHBondContact O-N 3.43Å; Y151-E154 PolarHBondContact O-N 2.72Å; E154-S156 VanDerWaalsContact C-N 3.27Å; E154-S156 PolarHBondContact O-N 2.87Å |
| 155 | K | 95.9 | Very high | 94.2 | Very high | 21 Ų | 21 | 41.5 Ų | 41.5 | 9% | 0.091 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | 7.6 | 176.7 | -66 | -64.7 | -163.1 | 168.7 | 0 | 113.1 | E85 D86 V89 R93 Y151 I157 | E85-K155 VanDerWaalsContact OE1-CE 3.24Å; E85-K155 WeakPolarHBondContact OE1-CE 3.28Å; E85-K155 IonicContact OE1-NZ 2.88Å; E85-K155 VanDerWaalsContact OE2-CE 3.24Å; E85-K155 WeakPolarHBondContact OE2-CE 3.4Å; E85-K155 IonicContact OE2-NZ 3.97Å; E85-K155 PolarHBondContact OE2-NZ 3.1Å; D86-K155 IonicContact OD1-NZ 3.11Å; D86-K155 PolarHBondContact OD1-NZ 3.12Å; V89-K155 HydrophobicContact CG1-CB 3.88Å; V89-K155 HydrophobicContact CG1-CD 4.45Å; V89-K155 WeakPolarHBondContact CG1-O 3.25Å; V89-K155 HydrophobicContact CG2-CB 4.05Å; V89-K155 HydrophobicContact CG2-CD 4.04Å; V89-K155 HydrophobicContact CG2-CG 4.02Å; R93-K155 VanDerWaalsContact CZ-O 3.23Å; R93-K155 PolarHBondContact NE-O 3.15Å; R93-K155 PolarHBondContact NH2-O 2.73Å; Y151-K155 HydrophobicContact CD1-CG 4.42Å; Y151-K155 HydrophobicContact CE1-CB 4.26Å; Y151-K155 HydrophobicContact CE1-CG 3.93Å; Y151-K155 HydrophobicContact CE2-CG 4.07Å; Y151-K155 WeakPolarHBondContact O-CB 3.49Å; Y151-K155 PolarHBondContact O-N 3.11Å; K155-I157 VanDerWaalsContact C-N 3.26Å; K155-I157 HydrophobicContact CB-CD1 4.14Å; K155-I157 HydrophobicContact CB-CG1 4.03Å; K155-I157 PolarHBondContact O-N 3.33Å |
| 156 | S | 97.3 | Very high | 93.9 | Very high | 81 Ų | 81 | 41.8 Ų | 41.8 | 57% | 0.566 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50 | 38.9 | 178.4 | -55.9 | 0 | 0 | 0 | 0 | 114.7 | R93 F152 N153 E154 | R93-S156 WeakPolarHBondContact CG-O 3.43Å; F152-S156 CarbonylContact O-C 3.58Å; F152-S156 WeakPolarHBondContact O-CA 3.43Å; F152-S156 PolarHBondContact O-N 3.19Å; N153-S156 PolarHBondContact O-N 2.97Å; N153-S156 VanDerWaalsContact O-N 3.08Å; E154-S156 VanDerWaalsContact C-N 3.27Å; E154-S156 PolarHBondContact O-N 2.87Å |
| 157 | I | 97.5 | Very high | 93.4 | Very high | 5 Ų | 5 | 41 Ų | 41 | 3% | 0.026 | 22% | 0.218 | C | C | . | . | trans | -85.8 | 118.8 | 178.2 | -55.4 | 176.6 | 0 | 0 | 0 | 108.9 | V89 L92 F97 Y151 F152 K155 F159 | V89-I157 HydrophobicContact CG1-CG1 4.25Å; V89-I157 HydrophobicContact CG2-CD1 4.34Å; L92-I157 HydrophobicContact CB-CD1 4.47Å; L92-I157 HydrophobicContact CB-CG2 4.24Å; L92-I157 HydrophobicContact CD1-CD1 4.35Å; F97-I157 HydrophobicContact CE1-CG2 3.92Å; F97-I157 HydrophobicContact CZ-CG2 3.9Å; Y151-I157 HydrophobicContact CD1-CD1 4.38Å; Y151-I157 HydrophobicContact CE1-CD1 3.92Å; F152-I157 HydrophobicContact CB-CB 4.46Å; F152-I157 HydrophobicContact CD2-CB 3.97Å; F152-I157 HydrophobicContact CD2-CG2 3.91Å; F152-I157 HydrophobicContact CE2-CB 4.46Å; F152-I157 HydrophobicContact CE2-CG2 3.94Å; F152-I157 HydrophobicContact CG-CB 4.2Å; F152-I157 PolarHBondContact O-N 3.24Å; K155-I157 VanDerWaalsContact C-N 3.26Å; K155-I157 HydrophobicContact CB-CD1 4.14Å; K155-I157 HydrophobicContact CB-CG1 4.03Å; K155-I157 PolarHBondContact O-N 3.33Å; I157-F159 PolarHBondContact O-N 2.97Å | ||
| 158 | P | 96.6 | Very high | 92.6 | Very high | 48 Ų | 48 | 39.7 Ų | 39.7 | 31% | 0.312 | 21% | 0.213 | S | C | . | . | trans | -64.1 | 120.1 | 178.3 | -20.9 | 33.3 | 0 | 0 | 0 | 111.2 | Q160 N161 | P158-Q160 PolarHBondContact O-N 3.32Å; P158-Q160 VanDerWaalsContact O-N 3.1Å; P158-N161 VanDerWaalsContact O-CB 3.31Å; P158-N161 WeakPolarHBondContact O-CB 3.38Å; P158-N161 PolarHBondContact O-N 2.94Å | ||
| 159 | F | 95.2 | Very high | 91.6 | Very high | 15 Ų | 15 | 40.7 Ų | 40.7 | 7% | 0.066 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -53.1 | -33.6 | 176 | -98.2 | -81.7 | 0 | 0 | 0 | 112.4 | F145 I148 Q149 F152 I157 N161 V162 L184 L188 | F145-F159 HydrophobicContact CE2-CE1 4.5Å; I148-F159 HydrophobicContact CG2-CE1 4.46Å; I148-F159 HydrophobicContact CG2-CZ 4.41Å; Q149-F159 HydrophobicContact CB-CE2 4.26Å; Q149-F159 HydrophobicContact CB-CZ 4.01Å; Q149-F159 HydrophobicContact CG-CE2 4.17Å; Q149-F159 HydrophobicContact CG-CZ 4.38Å; F152-F159 HydrophobicContact CB-CD2 4.11Å; F152-F159 HydrophobicContact CB-CE2 3.55Å; F152-F159 HydrophobicContact CB-CZ 3.96Å; F152-F159 HydrophobicContact CD2-CD1 4.16Å; F152-F159 HydrophobicContact CD2-CD2 4.09Å; F152-F159 HydrophobicContact CD2-CE1 4.13Å; F152-F159 HydrophobicContact CD2-CE2 4.05Å; F152-F159 HydrophobicContact CD2-CG 4.15Å; F152-F159 HydrophobicContact CD2-CZ 4.08Å; F152-F159 HydrophobicContact CE2-CD1 4.47Å; F152-F159 HydrophobicContact CG-CD2 4.49Å; F152-F159 HydrophobicContact CG-CE1 4.49Å; F152-F159 HydrophobicContact CG-CE2 4.04Å; F152-F159 HydrophobicContact CG-CZ 4.05Å; I157-F159 PolarHBondContact O-N 2.97Å; F159-N161 PolarHBondContact O-N 2.94Å; F159-V162 PolarHBondContact O-N 3.09Å; F159-L184 HydrophobicContact CE1-CD1 4.22Å; F159-L188 HydrophobicContact CB-CD1 4.28Å; F159-L188 HydrophobicContact CB-CD2 4.24Å; F159-L188 HydrophobicContact CB-CG 4.42Å; F159-L188 HydrophobicContact CD1-CD1 3.99Å; F159-L188 VanDerWaalsContact O-CD1 3.25Å; F159-L188 WeakPolarHBondContact O-CD1 3.5Å |
| 160 | Q | 94.6 | Very high | 90.7 | Very high | 132 Ų | 132 | 39.6 Ų | 39.6 | 62% | 0.617 | 22% | 0.223 | S | C | * | . | G | 310 helix | trans | -63 | -4.7 | 177.3 | -57 | 78.8 | 6.6 | 0 | 0 | 113.6 | K96 P158 L188 | K96-Q160 PolarHBondContact NZ-O 2.76Å; P158-Q160 PolarHBondContact O-N 3.32Å; P158-Q160 VanDerWaalsContact O-N 3.1Å; Q160-L188 HydrophobicContact CG-CD2 4.49Å |
| 161 | N | 94.5 | Very high | 89.7 | Confident | 13 Ų | 13 | 40 Ų | 40 | 7% | 0.07 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -85.6 | -17.3 | 170.7 | -72.2 | -6.7 | 0 | 0 | 0 | 114 | L92 R93 K95 K96 F97 P158 F159 I163 | L92-N161 PolarHBondContact O-ND2 2.77Å; R93-N161 PolarHBondContact O-ND2 3.12Å; K95-N161 WeakPolarHBondContact O-CB 3.41Å; K95-N161 PolarHBondContact O-ND2 2.9Å; K96-N161 WeakPolarHBondContact CA-O 3.41Å; K96-N161 HydrophobicContact CD-CB 4.24Å; K96-N161 PolarHBondContact NZ-OD1 3.32Å; F97-N161 HydrophobicContact CD1-CB 3.94Å; F97-N161 HydrophobicContact CE1-CB 3.67Å; F97-N161 PolarHBondContact N-O 2.91Å; P158-N161 VanDerWaalsContact O-CB 3.31Å; P158-N161 WeakPolarHBondContact O-CB 3.38Å; P158-N161 PolarHBondContact O-N 2.94Å; F159-N161 PolarHBondContact O-N 2.94Å; N161-I163 PolarHBondContact O-N 3.38Å |
| 162 | V | 91.7 | Very high | 88.6 | Confident | 9 Ų | 9 | 40.8 Ų | 40.8 | 6% | 0.055 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 108.2 | 173.8 | -172.5 | 0 | 0 | 0 | 0 | 109.4 | F97 L99 F152 F159 A164 L188 V191 | F97-V162 HydrophobicContact CE2-CG2 3.8Å; F97-V162 HydrophobicContact CZ-CG2 3.78Å; F97-V162 WeakPolarHBondContact O-CA 3.38Å; L99-V162 HydrophobicContact CB-CG1 4.21Å; F152-V162 HydrophobicContact CE2-CG2 3.62Å; F152-V162 HydrophobicContact CZ-CG2 4.07Å; F159-V162 PolarHBondContact O-N 3.09Å; V162-A164 WeakPolarHBondContact CG1-O 3.38Å; V162-L188 HydrophobicContact CB-CD1 3.92Å; V162-L188 HydrophobicContact CG2-CD1 4.49Å; V162-V191 HydrophobicContact CG1-CG2 4.03Å |
| 163 | I | 87.8 | Confident | 87.5 | Confident | 99 Ų | 99 | 40.8 Ų | 40.8 | 51% | 0.508 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | -28 | 176.9 | 52.8 | 162.2 | 0 | 0 | 0 | 112.8 | K96 F97 N161 F192 | K96-I163 HydrophobicContact CB-CG2 3.88Å; K96-I163 HydrophobicContact CD-CG2 4.35Å; K96-I163 HydrophobicContact CG-CG2 4.24Å; F97-I163 VanDerWaalsContact O-CG1 3.28Å; F97-I163 WeakPolarHBondContact O-CG1 3.26Å; F97-I163 PolarHBondContact O-N 3.09Å; N161-I163 PolarHBondContact O-N 3.38Å; I163-F192 PolarHBondContact O-N 3.39Å; I163-F192 VanDerWaalsContact O-N 3.1Å |
| 164 | A | 89.1 | Confident | 86.5 | Confident | 17 Ų | 17 | 39.5 Ų | 39.5 | 14% | 0.14 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 157 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | S98 L99 V162 F192 | S98-A164 CarbonylContact C-O 3.59Å; S98-A164 VanDerWaalsContact CA-O 3.31Å; S98-A164 WeakPolarHBondContact CA-O 3.46Å; L99-A164 PolarHBondContact N-O 3.17Å; V162-A164 WeakPolarHBondContact CG1-O 3.38Å; A164-F192 CarbonylContact C-O 3.59Å; A164-F192 WeakPolarHBondContact CA-O 3.49Å; A164-F192 HydrophobicContact CB-CB 4.02Å; A164-F192 HydrophobicContact CB-CD1 4.16Å |
| 165 | C | 86 | Confident | 85.7 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 130.4 | 170 | -161.6 | 0 | 0 | 0 | 0 | 111.2 | L99 I181 L184 F192 T193 I194 | L99-C165 CarbonylContact O-C 3.15Å; L99-C165 VanDerWaalsContact O-CA 3.27Å; L99-C165 WeakPolarHBondContact O-CA 3.24Å; C165-I181 HydrophobicContact CB-CD1 4.49Å; C165-L184 HydrophobicContact CB-CD2 3.69Å; C165-F192 PolarHBondContact N-O 2.85Å; C165-T193 WeakPolarHBondContact O-CA 3.29Å; C165-I194 PolarHBondContact O-N 2.79Å |
| 166 | S | 86.2 | Confident | 84.8 | Confident | 19 Ų | 19 | 44 Ų | 44 | 13% | 0.133 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 137.2 | 171.2 | -175.5 | 0 | 0 | 0 | 0 | 110.1 | L99 Q100 V101 I194 | L99-S166 PolarHBondContact O-N 3.09Å; Q100-S166 CarbonylContact C-O 3.5Å; Q100-S166 VanDerWaalsContact CA-O 3.28Å; Q100-S166 WeakPolarHBondContact CA-O 3.37Å; V101-S166 PolarHBondContact N-O 3.1Å; S166-I194 WeakPolarHBondContact CA-O 3.24Å |
| 167 | T | 83.5 | Confident | 83.9 | Confident | 3 Ų | 3 | 49.2 Ų | 49.2 | 2% | 0.018 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 154.3 | -178.3 | 63.3 | 0 | 0 | 0 | 0 | 112.8 | V101 G169 I173 F180 I181 I194 H195 C196 | V101-T167 HydrophobicContact CB-CG2 4.24Å; T167-G169 PolarHBondContact O-N 2.9Å; T167-I173 HydrophobicContact CG2-CG2 3.73Å; T167-I173 WeakPolarHBondContact OG1-CG2 3.47Å; T167-F180 HydrophobicContact CG2-CD1 4.15Å; T167-F180 HydrophobicContact CG2-CE1 4.14Å; T167-I181 HydrophobicContact CG2-CD1 3.97Å; T167-I194 PolarHBondContact N-O 2.68Å; T167-I194 VanDerWaalsContact N-O 3.17Å; T167-H195 CarbonylContact O-C 3.41Å; T167-H195 WeakPolarHBondContact O-CA 3.47Å; T167-C196 WeakPolarHBondContact O-CB 3.06Å; T167-C196 PolarHBondContact O-N 3.15Å |
| 168 | D | 76.7 | Confident | 83.2 | Confident | 22 Ų | 22 | 59.1 Ų | 59.1 | 12% | 0.118 | 30% | 0.304 | C | S | . | . | trans | -49.3 | -45.5 | -173.4 | 89.1 | -48.9 | 0 | 0 | 0 | 115 | A170 I173 H195 H199 | D168-A170 WeakPolarHBondContact OD1-CB 3.11Å; D168-A170 PolarHBondContact OD1-N 2.91Å; D168-A170 WeakPolarHBondContact OD2-CB 3.31Å; D168-A170 PolarHBondContact OD2-N 2.81Å; D168-I173 WeakPolarHBondContact OD1-CD1 2.83Å; D168-H195 PolarHBondContact O-CE1 2.92Å; D168-H195 PolarHBondContact O-ND1 3.14Å; D168-H195 VanDerWaalsContact O-ND1 3.12Å; D168-H199 VanDerWaalsContact O-CB 3.27Å; D168-H199 WeakPolarHBondContact O-CB 3.32Å; D168-H199 PolarHBondContact O-CD2 3.25Å; D168-H199 VanDerWaalsContact O-CD2 3.29Å; D168-H199 IonicContact OD2-CE1 3.57Å; D168-H199 IonicContact OD2-ND1 3.47Å | ||
| 169 | G | 73.7 | Confident | 82.6 | Confident | 20 Ų | 20 | 56.9 Ų | 56.9 | 21% | 0.206 | 29% | 0.29 | C | S | . | . | trans | 122.5 | -4.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | T167 V174 | T167-G169 PolarHBondContact O-N 2.9Å; G169-V174 WeakPolarHBondContact O-CG2 3.34Å | ||
| 170 | A | 75.9 | Confident | 82.3 | Confident | 31 Ų | 31 | 56.2 Ų | 56.2 | 26% | 0.256 | 29% | 0.287 | S | S | . | . | trans | -57.9 | 151.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | D168 S172 I173 V174 | D168-A170 WeakPolarHBondContact OD1-CB 3.11Å; D168-A170 PolarHBondContact OD1-N 2.91Å; D168-A170 WeakPolarHBondContact OD2-CB 3.31Å; D168-A170 PolarHBondContact OD2-N 2.81Å; A170-S172 WeakPolarHBondContact CB-OG 3.28Å; A170-S172 PolarHBondContact O-N 2.9Å; A170-I173 WeakPolarHBondContact O-CA 3.19Å; A170-I173 WeakPolarHBondContact O-CB 3.26Å; A170-I173 PolarHBondContact O-N 3.13Å; A170-V174 PolarHBondContact O-N 2.91Å | ||
| 171 | A | 74.3 | Confident | 82 | Confident | 86 Ų | 86 | 50.9 Ų | 50.9 | 71% | 0.711 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -62 | -30.8 | 180 | 0 | 0 | 0 | 0 | 0 | 112.9 | I173 G175 | A171-I173 PolarHBondContact O-N 2.9Å; A171-G175 PolarHBondContact O-N 2.94Å |
| 172 | S | 73.7 | Confident | 81.8 | Confident | 20 Ų | 20 | 51.3 Ų | 51.3 | 14% | 0.14 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -57.3 | -27.8 | 169.5 | 53.9 | 0 | 0 | 0 | 0 | 112.6 | T139 G141 A170 G179 F180 | T139-S172 WeakPolarHBondContact O-CA 3.27Å; T139-S172 WeakPolarHBondContact O-CB 3.44Å; G141-S172 WeakPolarHBondContact CA-O 3.42Å; G141-S172 PolarHBondContact N-O 2.97Å; G141-S172 VanDerWaalsContact N-O 3.08Å; A170-S172 WeakPolarHBondContact CB-OG 3.28Å; A170-S172 PolarHBondContact O-N 2.9Å; S172-G179 VanDerWaalsContact O-CA 3.26Å; S172-G179 WeakPolarHBondContact O-CA 3.38Å; S172-F180 PolarHBondContact O-N 2.77Å |
| 173 | I | 74.5 | Confident | 81.9 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -103 | -50.4 | -175.2 | -66.4 | -163.9 | 0 | 0 | 0 | 112.4 | M144 T167 D168 A170 A171 G179 F180 I181 | M144-I173 HydrophobicContact CE-CD1 4.21Å; M144-I173 HydrophobicContact CE-CG1 3.62Å; M144-I173 HydrophobicContact SD-CD1 3.82Å; M144-I173 HydrophobicContact SD-CG1 3.85Å; T167-I173 HydrophobicContact CG2-CG2 3.73Å; T167-I173 WeakPolarHBondContact OG1-CG2 3.47Å; D168-I173 WeakPolarHBondContact OD1-CD1 2.83Å; A170-I173 WeakPolarHBondContact O-CA 3.19Å; A170-I173 WeakPolarHBondContact O-CB 3.26Å; A170-I173 PolarHBondContact O-N 3.13Å; A171-I173 PolarHBondContact O-N 2.9Å; I173-G179 CarbonylContact O-C 3.59Å; I173-G179 VanDerWaalsContact O-C 3.27Å; I173-G179 VanDerWaalsContact O-CA 3.31Å; I173-G179 WeakPolarHBondContact O-CA 3.39Å; I173-F180 HydrophobicContact CB-CB 4.46Å; I173-F180 HydrophobicContact CG1-CB 4.41Å; I173-F180 HydrophobicContact CG2-CB 4.25Å; I173-F180 HydrophobicContact CG2-CD1 4.18Å; I173-F180 PolarHBondContact O-N 2.86Å; I173-I181 HydrophobicContact CG2-CG1 3.9Å; I173-I181 WeakPolarHBondContact O-CB 3.36Å; I173-I181 PolarHBondContact O-N 3.48Å |
| 174 | V | 75.7 | Confident | 82.1 | Confident | 73 Ų | 73 | 48.4 Ų | 48.4 | 44% | 0.442 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -90.2 | -2.4 | -172.9 | -52.7 | 0 | 0 | 0 | 0 | 114.2 | G169 A170 R176 | G169-V174 WeakPolarHBondContact O-CG2 3.34Å; A170-V174 PolarHBondContact O-N 2.91Å; V174-R176 PolarHBondContact O-N 3.2Å |
| 175 | G | 79.7 | Confident | 82.3 | Confident | 26 Ų | 26 | 51.5 Ų | 51.5 | 27% | 0.268 | 26% | 0.261 | S | S | . | . | trans | -56.9 | 119.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | A171 Y177 R178 G179 | A171-G175 PolarHBondContact O-N 2.94Å; G175-Y177 PolarHBondContact O-N 3.49Å; G175-R178 PolarHBondContact O-N 2.86Å; G175-G179 WeakPolarHBondContact O-CA 3.18Å; G175-G179 PolarHBondContact O-N 3.32Å | ||
| 176 | R | 77.9 | Confident | 82.6 | Confident | 205 Ų | 205 | 56.9 Ų | 56.9 | 77% | 0.774 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.8 | -32.7 | -170 | 177.9 | 176.5 | -81.3 | 146.1 | -4.9 | 116.4 | V174 A182 | V174-R176 PolarHBondContact O-N 3.2Å; R176-A182 WeakPolarHBondContact O-CB 3.5Å |
| 177 | Y | 77.2 | Confident | 82.8 | Confident | 190 Ų | 190 | 60.6 Ų | 60.6 | 75% | 0.745 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.8 | -12.7 | -173.4 | -52.9 | -64.7 | 0 | 0 | 0 | 115.2 | G175 | G175-Y177 PolarHBondContact O-N 3.49Š|
| 178 | R | 82.5 | Confident | 83.2 | Confident | 214 Ų | 214 | 60.9 Ų | 60.9 | 81% | 0.808 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -144 | 1.4 | -172.7 | -70 | -173.9 | 174.7 | 177 | -2.5 | 113.8 | G175 | G175-R178 PolarHBondContact O-N 2.86Š|
| 179 | G | 85.5 | Confident | 83.9 | Confident | 1 Ų | 1 | 65.1 Ų | 65.1 | 1% | 0.01 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -78.3 | 156.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | S172 I173 G175 I181 A182 H183 | S172-G179 VanDerWaalsContact O-CA 3.26Å; S172-G179 WeakPolarHBondContact O-CA 3.38Å; I173-G179 CarbonylContact O-C 3.59Å; I173-G179 VanDerWaalsContact O-C 3.27Å; I173-G179 VanDerWaalsContact O-CA 3.31Å; I173-G179 WeakPolarHBondContact O-CA 3.39Å; G175-G179 WeakPolarHBondContact O-CA 3.18Å; G175-G179 PolarHBondContact O-N 3.32Å; G179-I181 PolarHBondContact O-N 3.39Å; G179-A182 WeakPolarHBondContact O-CB 3.28Å; G179-A182 PolarHBondContact O-N 3.24Å; G179-H183 PolarHBondContact O-CD2 3.06Å; G179-H183 VanDerWaalsContact O-CD2 3.32Å; G179-H183 PolarHBondContact O-N 2.97Å |
| 180 | F | 88.2 | Confident | 84.6 | Confident | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -49.6 | -42.6 | 177 | 164.6 | -100.9 | 0 | 0 | 0 | 111.7 | V101 G141 M144 F145 I148 T167 S172 I173 A182 H183 L184 | V101-F180 HydrophobicContact CG2-CE1 4.14Å; V101-F180 HydrophobicContact CG2-CZ 4.07Å; G141-F180 VanDerWaalsContact CA-N 3.28Å; G141-F180 WeakPolarHBondContact O-CA 3.24Å; M144-F180 HydrophobicContact CB-CD2 4.2Å; F145-F180 HydrophobicContact CB-CD2 3.8Å; F145-F180 HydrophobicContact CB-CE2 4.26Å; F145-F180 HydrophobicContact CD2-CD2 4.31Å; F145-F180 HydrophobicContact CD2-CE2 4.1Å; I148-F180 HydrophobicContact CB-CE2 4.5Å; I148-F180 HydrophobicContact CD1-CD2 4.26Å; I148-F180 HydrophobicContact CD1-CE2 3.38Å; I148-F180 HydrophobicContact CD1-CZ 3.66Å; I148-F180 HydrophobicContact CG1-CE2 4.5Å; T167-F180 HydrophobicContact CG2-CD1 4.15Å; T167-F180 HydrophobicContact CG2-CE1 4.14Å; S172-F180 PolarHBondContact O-N 2.77Å; I173-F180 HydrophobicContact CB-CB 4.46Å; I173-F180 HydrophobicContact CG1-CB 4.41Å; I173-F180 HydrophobicContact CG2-CB 4.25Å; I173-F180 HydrophobicContact CG2-CD1 4.18Å; I173-F180 PolarHBondContact O-N 2.86Å; F180-A182 VanDerWaalsContact C-N 3.3Å; F180-A182 PolarHBondContact O-N 3.11Å; F180-H183 PolarHBondContact O-N 2.86Å; F180-L184 HydrophobicContact CE1-CD2 3.97Å; F180-L184 HydrophobicContact CZ-CB 4.44Å; F180-L184 HydrophobicContact CZ-CD1 4.45Å; F180-L184 HydrophobicContact CZ-CD2 4Å; F180-L184 WeakPolarHBondContact O-CB 3.41Å; F180-L184 PolarHBondContact O-N 3.16Å |
| 181 | I | 88.1 | Confident | 85.2 | Confident | 21 Ų | 21 | 68.3 Ų | 68.3 | 11% | 0.108 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64.9 | -30.6 | 179.2 | -65.3 | -62.9 | 0 | 0 | 0 | 112.8 | C165 T167 I173 G179 K185 T193 | C165-I181 HydrophobicContact CB-CD1 4.49Å; T167-I181 HydrophobicContact CG2-CD1 3.97Å; I173-I181 HydrophobicContact CG2-CG1 3.9Å; I173-I181 WeakPolarHBondContact O-CB 3.36Å; I173-I181 PolarHBondContact O-N 3.48Å; G179-I181 PolarHBondContact O-N 3.39Å; I181-K185 HydrophobicContact CG2-CD 4.34Å; I181-K185 WeakPolarHBondContact O-CB 3.46Å; I181-K185 WeakPolarHBondContact O-CG 3.26Å; I181-K185 PolarHBondContact O-N 3.38Å; I181-T193 HydrophobicContact CD1-CG2 3.97Å; I181-T193 HydrophobicContact CG2-CG2 3.99Å |
| 182 | A | 90.8 | Very high | 85.7 | Confident | 22 Ų | 22 | 70.6 Ų | 70.6 | 18% | 0.182 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -69.3 | -48.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | R176 G179 F180 K185 T186 | R176-A182 WeakPolarHBondContact O-CB 3.5Å; G179-A182 WeakPolarHBondContact O-CB 3.28Å; G179-A182 PolarHBondContact O-N 3.24Å; F180-A182 VanDerWaalsContact C-N 3.3Å; F180-A182 PolarHBondContact O-N 3.11Å; A182-K185 PolarHBondContact O-N 3.43Å; A182-T186 PolarHBondContact O-N 2.84Å; A182-T186 VanDerWaalsContact O-N 3.08Å; A182-T186 PolarHBondContact O-OG1 3.41Å; A182-T186 VanDerWaalsContact O-OG1 3.1Å |
| 183 | H | 93.2 | Very high | 86.1 | Confident | 45 Ų | 45 | 71.5 Ų | 71.5 | 21% | 0.208 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -63.7 | -42.6 | 176.4 | -64.2 | -66.1 | 0 | 0 | 0 | 112.1 | F145 G179 F180 K185 T186 M187 | F145-H183 HydrophobicContact CB-CB 3.98Å; F145-H183 HydrophobicContact CD1-CB 3.86Å; F145-H183 HydrophobicContact CD2-CB 3.88Å; F145-H183 HydrophobicContact CE1-CB 4.44Å; F145-H183 HydrophobicContact CE2-CB 4.46Å; F145-H183 HydrophobicContact CG-CB 3.57Å; G179-H183 PolarHBondContact O-CD2 3.06Å; G179-H183 VanDerWaalsContact O-CD2 3.32Å; G179-H183 PolarHBondContact O-N 2.97Å; F180-H183 PolarHBondContact O-N 2.86Å; H183-K185 VanDerWaalsContact C-N 3.31Å; H183-K185 PolarHBondContact O-N 3.07Å; H183-T186 WeakPolarHBondContact O-CB 3.34Å; H183-T186 PolarHBondContact O-N 3.08Å; H183-T186 VanDerWaalsContact O-N 3.11Å; H183-M187 PolarHBondContact O-N 3.09Å |
| 184 | L | 92.1 | Very high | 86.4 | Confident | 1 Ų | 1 | 74.8 Ų | 74.8 | 1% | 0.005 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -59.2 | -41.4 | 175.2 | -173.3 | 68 | 0 | 0 | 0 | 111.8 | F145 F159 C165 F180 T186 M187 L188 V191 | F145-L184 HydrophobicContact CD2-CB 4.39Å; F145-L184 HydrophobicContact CE2-CB 4.47Å; F145-L184 HydrophobicContact CE2-CD1 4.27Å; F159-L184 HydrophobicContact CE1-CD1 4.22Å; C165-L184 HydrophobicContact CB-CD2 3.69Å; F180-L184 HydrophobicContact CE1-CD2 3.97Å; F180-L184 HydrophobicContact CZ-CB 4.44Å; F180-L184 HydrophobicContact CZ-CD1 4.45Å; F180-L184 HydrophobicContact CZ-CD2 4Å; F180-L184 WeakPolarHBondContact O-CB 3.41Å; F180-L184 PolarHBondContact O-N 3.16Å; L184-T186 VanDerWaalsContact C-N 3.34Å; L184-T186 PolarHBondContact O-N 2.83Å; L184-M187 PolarHBondContact O-N 2.95Å; L184-L188 HydrophobicContact CD1-CD1 4.33Å; L184-L188 PolarHBondContact O-N 3.02Å; L184-V191 HydrophobicContact CD2-CG1 4.16Å; L184-V191 HydrophobicContact CD2-CG2 4.4Å; L184-V191 HydrophobicContact CG-CG1 4.18Å |
| 185 | K | 92.2 | Very high | 86.3 | Confident | 82 Ų | 82 | 73.8 Ų | 73.8 | 36% | 0.357 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -72.3 | -21 | 176.2 | -78.1 | -177.2 | 179 | 176.3 | 0 | 114.5 | I181 A182 H183 L188 P189 V191 T193 | I181-K185 HydrophobicContact CG2-CD 4.34Å; I181-K185 WeakPolarHBondContact O-CB 3.46Å; I181-K185 WeakPolarHBondContact O-CG 3.26Å; I181-K185 PolarHBondContact O-N 3.38Å; A182-K185 PolarHBondContact O-N 3.43Å; H183-K185 VanDerWaalsContact C-N 3.31Å; H183-K185 PolarHBondContact O-N 3.07Å; K185-L188 CarbonylContact O-C 3.47Å; K185-P189 WeakPolarHBondContact O-CA 3.28Å; K185-V191 HydrophobicContact CG-CG1 3.87Å; K185-T193 WeakPolarHBondContact CE-OG1 3.35Å; K185-T193 PolarHBondContact NZ-OG1 2.8Å |
| 186 | T | 93.1 | Very high | 86.1 | Confident | 114 Ų | 114 | 72.9 Ų | 72.9 | 70% | 0.699 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -66.7 | -39.6 | 169.1 | -50.2 | 0 | 0 | 0 | 0 | 111.2 | A182 H183 L184 | A182-T186 PolarHBondContact O-N 2.84Å; A182-T186 VanDerWaalsContact O-N 3.08Å; A182-T186 PolarHBondContact O-OG1 3.41Å; A182-T186 VanDerWaalsContact O-OG1 3.1Å; H183-T186 WeakPolarHBondContact O-CB 3.34Å; H183-T186 PolarHBondContact O-N 3.08Å; H183-T186 VanDerWaalsContact O-N 3.11Å; L184-T186 VanDerWaalsContact C-N 3.34Å; L184-T186 PolarHBondContact O-N 2.83Å |
| 187 | M | 90.8 | Very high | 85.7 | Confident | 96 Ų | 96 | 66.6 Ų | 66.6 | 47% | 0.473 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -82.1 | -32.6 | 176.5 | -69.7 | -59.2 | -66 | 0 | 0 | 113.8 | F145 H183 L184 | F145-M187 HydrophobicContact CE2-CG 4.42Å; F145-M187 HydrophobicContact CZ-CG 3.73Å; H183-M187 PolarHBondContact O-N 3.09Å; L184-M187 PolarHBondContact O-N 2.95Å |
| 188 | L | 91.8 | Very high | 85.2 | Confident | 10 Ų | 10 | 59 Ų | 59 | 5% | 0.052 | 31% | 0.31 | C | S | . | . | trans | -133.6 | 79.4 | -177.7 | -64.1 | 173.8 | 0 | 0 | 0 | 111 | F159 Q160 V162 L184 K185 S190 V191 | F159-L188 HydrophobicContact CB-CD1 4.28Å; F159-L188 HydrophobicContact CB-CD2 4.24Å; F159-L188 HydrophobicContact CB-CG 4.42Å; F159-L188 HydrophobicContact CD1-CD1 3.99Å; F159-L188 VanDerWaalsContact O-CD1 3.25Å; F159-L188 WeakPolarHBondContact O-CD1 3.5Å; Q160-L188 HydrophobicContact CG-CD2 4.49Å; V162-L188 HydrophobicContact CB-CD1 3.92Å; V162-L188 HydrophobicContact CG2-CD1 4.49Å; L184-L188 HydrophobicContact CD1-CD1 4.33Å; L184-L188 PolarHBondContact O-N 3.02Å; K185-L188 CarbonylContact O-C 3.47Å; L188-S190 PolarHBondContact O-N 2.91Å; L188-V191 HydrophobicContact CB-CB 3.99Å; L188-V191 HydrophobicContact CB-CG1 4.23Å; L188-V191 VanDerWaalsContact O-CG1 3.24Å; L188-V191 WeakPolarHBondContact O-CG1 3.43Å; L188-V191 PolarHBondContact O-N 2.86Å | ||
| 189 | P | 91.9 | Very high | 84.5 | Confident | 110 Ų | 110 | 51.3 Ų | 51.3 | 71% | 0.714 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -24.6 | -178.5 | -27.3 | 35.9 | 0 | 0 | 0 | 114.5 | K185 | K185-P189 WeakPolarHBondContact O-CA 3.28Š|
| 190 | S | 87.5 | Confident | 83.5 | Confident | 112 Ų | 112 | 57.9 Ų | 57.9 | 78% | 0.783 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | -1.6 | -179.9 | 55.2 | 0 | 0 | 0 | 0 | 115.2 | L188 F192 | L188-S190 PolarHBondContact O-N 2.91Å; S190-F192 PolarHBondContact O-N 3.1Å |
| 191 | V | 88 | Confident | 82.4 | Confident | 7 Ų | 7 | 60.5 Ų | 60.5 | 4% | 0.042 | 32% | 0.32 | C | S | . | . | trans | -68.5 | 126.2 | -176.6 | 73.3 | 0 | 0 | 0 | 0 | 111.3 | V162 L184 K185 L188 T193 | V162-V191 HydrophobicContact CG1-CG2 4.03Å; L184-V191 HydrophobicContact CD2-CG1 4.16Å; L184-V191 HydrophobicContact CD2-CG2 4.4Å; L184-V191 HydrophobicContact CG-CG1 4.18Å; K185-V191 HydrophobicContact CG-CG1 3.87Å; L188-V191 HydrophobicContact CB-CB 3.99Å; L188-V191 HydrophobicContact CB-CG1 4.23Å; L188-V191 VanDerWaalsContact O-CG1 3.24Å; L188-V191 WeakPolarHBondContact O-CG1 3.43Å; L188-V191 PolarHBondContact O-N 2.86Å; V191-T193 HydrophobicContact CG1-CG2 3.94Å | ||
| 192 | F | 85.1 | Confident | 81.5 | Confident | 133 Ų | 133 | 61.3 Ų | 61.3 | 58% | 0.583 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 133.6 | 173.6 | -178 | -103.4 | 0 | 0 | 0 | 110 | I163 A164 C165 S190 I194 | I163-F192 PolarHBondContact O-N 3.39Å; I163-F192 VanDerWaalsContact O-N 3.1Å; A164-F192 CarbonylContact C-O 3.59Å; A164-F192 WeakPolarHBondContact CA-O 3.49Å; A164-F192 HydrophobicContact CB-CB 4.02Å; A164-F192 HydrophobicContact CB-CD1 4.16Å; C165-F192 PolarHBondContact N-O 2.85Å; S190-F192 PolarHBondContact O-N 3.1Å; F192-I194 HydrophobicContact CE1-CB 3.97Å; F192-I194 HydrophobicContact CE1-CD1 4.37Å |
| 193 | T | 83.4 | Confident | 80.4 | Confident | 39 Ų | 39 | 63.8 Ų | 63.8 | 24% | 0.239 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 119.4 | -173.7 | 57.5 | 0 | 0 | 0 | 0 | 111.3 | C165 I181 K185 V191 | C165-T193 WeakPolarHBondContact O-CA 3.29Å; I181-T193 HydrophobicContact CD1-CG2 3.97Å; I181-T193 HydrophobicContact CG2-CG2 3.99Å; K185-T193 WeakPolarHBondContact CE-OG1 3.35Å; K185-T193 PolarHBondContact NZ-OG1 2.8Å; V191-T193 HydrophobicContact CG1-CG2 3.94Å |
| 194 | I | 79.7 | Confident | 79.2 | Confident | 70 Ų | 70 | 66 Ų | 66 | 36% | 0.359 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 140 | -176 | -167.7 | 165.4 | 0 | 0 | 0 | 110.5 | C165 S166 T167 F192 | C165-I194 PolarHBondContact O-N 2.79Å; S166-I194 WeakPolarHBondContact CA-O 3.24Å; T167-I194 PolarHBondContact N-O 2.68Å; T167-I194 VanDerWaalsContact N-O 3.17Å; F192-I194 HydrophobicContact CE1-CB 3.97Å; F192-I194 HydrophobicContact CE1-CD1 4.37Å |
| 195 | H | 72.9 | Confident | 78.1 | Confident | 51 Ų | 51 | 69.1 Ų | 69.1 | 24% | 0.236 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 129 | 169.9 | -179.3 | -41.7 | 0 | 0 | 0 | 108.1 | T167 D168 V197 R200 | T167-H195 CarbonylContact O-C 3.41Å; T167-H195 WeakPolarHBondContact O-CA 3.47Å; D168-H195 PolarHBondContact O-CE1 2.92Å; D168-H195 PolarHBondContact O-ND1 3.14Å; D168-H195 VanDerWaalsContact O-ND1 3.12Å; H195-V197 PolarHBondContact O-N 2.83Å; H195-R200 VanDerWaalsContact CE1-CG 3.46Å; H195-R200 WeakPolarHBondContact CE1-CG 3.37Å; H195-R200 WeakPolarHBondContact ND1-CG 3.48Å |
| 196 | C | 76.6 | Confident | 76.7 | Confident | 8 Ų | 8 | 70.7 Ų | 70.7 | 5% | 0.054 | 38% | 0.378 | C | S | . | . | trans | -51.4 | 128.8 | -175.7 | 179.9 | 0 | 0 | 0 | 0 | 110.7 | T167 H199 R200 | T167-C196 WeakPolarHBondContact O-CB 3.06Å; T167-C196 PolarHBondContact O-N 3.15Å; C196-H199 HydrophobicContact CB-CB 4.09Å; C196-H199 PolarHBondContact O-N 3.5Å; C196-R200 PolarHBondContact O-N 2.72Å | ||
| 197 | V | 68.9 | Low | 75.3 | Confident | 72 Ų | 72 | 72.3 Ų | 72.3 | 44% | 0.436 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -65 | -44.2 | -175.5 | -179.9 | 0 | 0 | 0 | 0 | 110.5 | H195 H199 R200 E201 | H195-V197 PolarHBondContact O-N 2.83Å; V197-H199 VanDerWaalsContact C-N 3.29Å; V197-H199 PolarHBondContact O-N 3.2Å; V197-R200 WeakPolarHBondContact O-CA 3.23Å; V197-R200 WeakPolarHBondContact O-CB 3.32Å; V197-R200 PolarHBondContact O-N 2.98Å; V197-E201 HydrophobicContact CG1-CG 4.48Å; V197-E201 WeakPolarHBondContact O-CG 3.39Å; V197-E201 PolarHBondContact O-N 2.9Å |
| 198 | I | 67.9 | Low | 73.7 | Confident | 30 Ų | 30 | 71.5 Ų | 71.5 | 15% | 0.154 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -64.2 | -39.9 | -178.3 | -55.5 | 157.1 | 0 | 0 | 0 | 109.5 | R200 E201 H202 T365 F366 | I198-R200 VanDerWaalsContact C-N 3.26Å; I198-R200 PolarHBondContact O-N 2.9Å; I198-E201 PolarHBondContact O-N 3.46Å; I198-H202 VanDerWaalsContact O-CB 3.24Å; I198-H202 WeakPolarHBondContact O-CB 3.45Å; I198-H202 PolarHBondContact O-N 3.14Å; I198-T365 WeakPolarHBondContact CG2-O 3.21Å; I198-F366 HydrophobicContact CB-CB 4.21Å; I198-F366 HydrophobicContact CB-CD1 3.84Å; I198-F366 HydrophobicContact CB-CD2 2.75Å; I198-F366 HydrophobicContact CB-CE1 3.87Å; I198-F366 HydrophobicContact CB-CE2 2.8Å; I198-F366 HydrophobicContact CB-CG 3.31Å; I198-F366 HydrophobicContact CB-CZ 3.4Å; I198-F366 HydrophobicContact CD1-CB 3.63Å; I198-F366 HydrophobicContact CD1-CD1 2.3Å; I198-F366 HydrophobicContact CD1-CD2 2.29Å; I198-F366 HydrophobicContact CD1-CE1 2.3Å; I198-F366 HydrophobicContact CD1-CE2 2.3Å; I198-F366 HydrophobicContact CD1-CG 2.31Å; I198-F366 HydrophobicContact CD1-CZ 2.31Å; I198-F366 HydrophobicContact CG1-CB 3.53Å; I198-F366 HydrophobicContact CG1-CD1 2.32Å; I198-F366 HydrophobicContact CG1-CD2 2.31Å; I198-F366 HydrophobicContact CG1-CE1 2.32Å; I198-F366 HydrophobicContact CG1-CE2 2.31Å; I198-F366 HydrophobicContact CG1-CG 2.3Å; I198-F366 HydrophobicContact CG1-CZ 2.31Å; I198-F366 HydrophobicContact CG2-CB 3.71Å; I198-F366 HydrophobicContact CG2-CD1 4.38Å; I198-F366 HydrophobicContact CG2-CD2 3.02Å; I198-F366 HydrophobicContact CG2-CE2 3.8Å; I198-F366 HydrophobicContact CG2-CG 3.38Å |
| 199 | H | 66.2 | Low | 71.6 | Confident | 54 Ų | 54 | 72.6 Ų | 72.6 | 25% | 0.25 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -65.6 | -31.4 | 177.4 | -159.5 | 109.4 | 0 | 0 | 0 | 111.5 | D168 C196 V197 L203 | D168-H199 VanDerWaalsContact O-CB 3.27Å; D168-H199 WeakPolarHBondContact O-CB 3.32Å; D168-H199 PolarHBondContact O-CD2 3.25Å; D168-H199 VanDerWaalsContact O-CD2 3.29Å; D168-H199 IonicContact OD2-CE1 3.57Å; D168-H199 IonicContact OD2-ND1 3.47Å; C196-H199 HydrophobicContact CB-CB 4.09Å; C196-H199 PolarHBondContact O-N 3.5Å; V197-H199 VanDerWaalsContact C-N 3.29Å; V197-H199 PolarHBondContact O-N 3.2Å; H199-L203 VanDerWaalsContact CD2-CD1 3.5Å; H199-L203 WeakPolarHBondContact CD2-CD1 3.01Å; H199-L203 WeakPolarHBondContact O-CB 3.5Å; H199-L203 VanDerWaalsContact O-CG 3.23Å; H199-L203 WeakPolarHBondContact O-CG 3.04Å; H199-L203 PolarHBondContact O-N 2.76Å |
| 200 | R | 65.9 | Low | 69.5 | Low | 138 Ų | 138 | 71.9 Ų | 71.9 | 52% | 0.521 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -65.9 | -47.3 | 169.6 | -67.1 | 178.6 | 165.8 | -174.1 | -7 | 112.1 | H195 C196 V197 I198 H202 L203 V204 | H195-R200 VanDerWaalsContact CE1-CG 3.46Å; H195-R200 WeakPolarHBondContact CE1-CG 3.37Å; H195-R200 WeakPolarHBondContact ND1-CG 3.48Å; C196-R200 PolarHBondContact O-N 2.72Å; V197-R200 WeakPolarHBondContact O-CA 3.23Å; V197-R200 WeakPolarHBondContact O-CB 3.32Å; V197-R200 PolarHBondContact O-N 2.98Å; I198-R200 VanDerWaalsContact C-N 3.26Å; I198-R200 PolarHBondContact O-N 2.9Å; R200-H202 VanDerWaalsContact C-N 3.34Å; R200-H202 PolarHBondContact O-N 3.5Å; R200-L203 PolarHBondContact O-N 3.28Å; R200-V204 WeakPolarHBondContact O-CG2 3.36Å; R200-V204 PolarHBondContact O-N 3.49Å |
| 201 | E | 63.8 | Low | 67.4 | Low | 55 Ų | 55 | 74.7 Ų | 74.7 | 26% | 0.257 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60.4 | -43.8 | 178.3 | -67.1 | 172.1 | 168.2 | 0 | 0 | 111.5 | V197 I198 V204 S205 H367 | V197-E201 HydrophobicContact CG1-CG 4.48Å; V197-E201 WeakPolarHBondContact O-CG 3.39Å; V197-E201 PolarHBondContact O-N 2.9Å; I198-E201 PolarHBondContact O-N 3.46Å; E201-V204 PolarHBondContact O-N 3.48Å; E201-S205 PolarHBondContact O-N 3.44Å; E201-S205 PolarHBondContact O-OG 3.29Å; E201-H367 WeakPolarHBondContact OE2-CB 3.2Å; E201-H367 IonicContact OE2-CD2 3.87Å; E201-H367 IonicContact OE2-CG 3.55Å; E201-H367 PolarHBondContact OE2-N 3.32Å |
| 202 | H | 69.8 | Low | 64.9 | Low | 38 Ų | 38 | 82.8 Ų | 82.8 | 18% | 0.176 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -65.2 | -36.9 | 176.5 | -174.2 | 75.2 | 0 | 0 | 0 | 112.9 | I198 R200 S205 K206 L363 S364 | I198-H202 VanDerWaalsContact O-CB 3.24Å; I198-H202 WeakPolarHBondContact O-CB 3.45Å; I198-H202 PolarHBondContact O-N 3.14Å; R200-H202 VanDerWaalsContact C-N 3.34Å; R200-H202 PolarHBondContact O-N 3.5Å; H202-S205 PolarHBondContact O-OG 3.49Å; H202-K206 WeakPolarHBondContact O-CB 3.47Å; H202-K206 WeakPolarHBondContact O-CG 3.4Å; H202-K206 PolarHBondContact O-N 2.65Å; H202-L363 PolarHBondContact NE2-O 3.3Å; H202-S364 PolarHBondContact NE2-OG 3.23Å |
| 203 | L | 68.6 | Low | 62.4 | Low | 74 Ų | 74 | 83.1 Ų | 83.1 | 39% | 0.387 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -70.8 | -29.7 | 172 | -75.3 | 176.6 | 0 | 0 | 0 | 113 | H199 R200 K207 | H199-L203 VanDerWaalsContact CD2-CD1 3.5Å; H199-L203 WeakPolarHBondContact CD2-CD1 3.01Å; H199-L203 WeakPolarHBondContact O-CB 3.5Å; H199-L203 VanDerWaalsContact O-CG 3.23Å; H199-L203 WeakPolarHBondContact O-CG 3.04Å; H199-L203 PolarHBondContact O-N 2.76Å; R200-L203 PolarHBondContact O-N 3.28Å; L203-K207 WeakPolarHBondContact O-CG 3.36Å; L203-K207 PolarHBondContact O-N 3.28Å |
| 204 | V | 67.8 | Low | 59.6 | Low | 92 Ų | 92 | 89.3 Ų | 89.3 | 56% | 0.558 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -73.1 | -49.7 | 174.6 | 169.3 | 0 | 0 | 0 | 0 | 110.6 | R200 E201 K206 K207 V208 | R200-V204 WeakPolarHBondContact O-CG2 3.36Å; R200-V204 PolarHBondContact O-N 3.49Å; E201-V204 PolarHBondContact O-N 3.48Å; V204-K206 PolarHBondContact O-N 2.84Å; V204-K207 PolarHBondContact O-N 3.41Å; V204-K207 VanDerWaalsContact O-N 3.14Å; V204-V208 PolarHBondContact O-N 3.09Å; V204-V208 VanDerWaalsContact O-N 3.15Å |
| 205 | S | 67.9 | Low | 57.2 | Low | 67 Ų | 67 | 91 Ų | 91 | 47% | 0.469 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62.8 | -39.7 | -178.5 | 60.6 | 0 | 0 | 0 | 0 | 112.6 | E201 H202 K207 V208 G209 | E201-S205 PolarHBondContact O-N 3.44Å; E201-S205 PolarHBondContact O-OG 3.29Å; H202-S205 PolarHBondContact O-OG 3.49Å; S205-K207 PolarHBondContact O-N 3.45Å; S205-V208 PolarHBondContact O-N 3.49Å; S205-G209 PolarHBondContact O-N 3.48Å |
| 206 | K | 64.1 | Low | 55 | Low | 114 Ų | 114 | 100.5 Ų | 100.5 | 50% | 0.496 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -55.4 | -48 | 171 | -83.6 | 175.1 | 163 | 168.9 | 0 | 112.5 | H202 V204 V208 G209 D210 | H202-K206 WeakPolarHBondContact O-CB 3.47Å; H202-K206 WeakPolarHBondContact O-CG 3.4Å; H202-K206 PolarHBondContact O-N 2.65Å; V204-K206 PolarHBondContact O-N 2.84Å; K206-V208 PolarHBondContact O-N 2.83Å; K206-G209 PolarHBondContact O-N 3.26Å; K206-D210 PolarHBondContact O-N 3.5Å; K206-D210 VanDerWaalsContact O-N 3.16Å |
| 207 | K | 62.9 | Low | 52.5 | Low | 148 Ų | 148 | 103 Ų | 103 | 64% | 0.643 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.5 | -36.9 | -178.8 | -76.6 | 179.2 | 178.3 | -175.5 | 0 | 113.4 | L203 V204 S205 D210 Q211 | L203-K207 WeakPolarHBondContact O-CG 3.36Å; L203-K207 PolarHBondContact O-N 3.28Å; V204-K207 PolarHBondContact O-N 3.41Å; V204-K207 VanDerWaalsContact O-N 3.14Å; S205-K207 PolarHBondContact O-N 3.45Å; K207-D210 PolarHBondContact O-N 2.77Å; K207-Q211 PolarHBondContact O-N 3.28Å |
| 208 | V | 57.3 | Low | 50.3 | Low | 79 Ų | 79 | 107.2 Ų | 107.2 | 48% | 0.479 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63 | -46.3 | 175.7 | 176.6 | 0 | 0 | 0 | 0 | 110.4 | V204 S205 K206 D210 Q211 E212 | V204-V208 PolarHBondContact O-N 3.09Å; V204-V208 VanDerWaalsContact O-N 3.15Å; S205-V208 PolarHBondContact O-N 3.49Å; K206-V208 PolarHBondContact O-N 2.83Å; V208-D210 PolarHBondContact O-N 3.41Å; V208-Q211 PolarHBondContact O-N 3.34Å; V208-E212 PolarHBondContact O-N 2.81Å |
| 209 | G | 48.2 | Very low | 48.3 | Very low | 34 Ų | 34 | 113.6 Ų | 113.6 | 35% | 0.351 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -68.2 | -12.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | S205 K206 K213 | S205-G209 PolarHBondContact O-N 3.48Å; K206-G209 PolarHBondContact O-N 3.26Å; G209-K213 WeakPolarHBondContact O-CE 3.41Å; G209-K213 PolarHBondContact O-NZ 3.11Å |
| 210 | D | 48.2 | Very low | 46.1 | Very low | 94 Ų | 94 | 122.9 Ų | 122.9 | 50% | 0.503 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -95.8 | -26.8 | 171.1 | -75.9 | -31.1 | 0 | 0 | 0 | 113 | K206 K207 V208 E212 K213 | K206-D210 PolarHBondContact O-N 3.5Å; K206-D210 VanDerWaalsContact O-N 3.16Å; K207-D210 PolarHBondContact O-N 2.77Å; V208-D210 PolarHBondContact O-N 3.41Å; D210-E212 VanDerWaalsContact C-N 3.32Å; D210-K213 WeakPolarHBondContact O-CB 3.42Å; D210-K213 PolarHBondContact O-N 3.08Å; D210-K213 VanDerWaalsContact O-N 3.16Å; D210-K213 IonicContact OD1-NZ 2.65Å; D210-K213 PolarHBondContact OD1-NZ 2.83Å |
| 211 | Q | 41.5 | Very low | 43.9 | Very low | 172 Ų | 172 | 120.3 Ų | 120.3 | 80% | 0.804 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -75.5 | -18.3 | 174 | -71.6 | -158.8 | -59.7 | 0 | 0 | 113.7 | K207 V208 K213 | K207-Q211 PolarHBondContact O-N 3.28Å; V208-Q211 PolarHBondContact O-N 3.34Å; Q211-K213 PolarHBondContact O-N 3.49Å |
| 212 | E | 36.4 | Very low | 42 | Very low | 177 Ų | 177 | 124.7 Ų | 124.7 | 83% | 0.827 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | -4.2 | 167.8 | -154.4 | 168.8 | -145.8 | 0 | 0 | 112.6 | V208 D210 | V208-E212 PolarHBondContact O-N 2.81Å; D210-E212 VanDerWaalsContact C-N 3.32Å |
| 213 | K | 32.4 | Very low | 39.7 | Very low | 140 Ų | 140 | 126 Ų | 126 | 61% | 0.609 | 67% | 0.671 | S | S | * | * | trans | -103.1 | 66.3 | 176.6 | -56.3 | 170.6 | -169.2 | 153.9 | 0 | 111.6 | G209 D210 Q211 | G209-K213 WeakPolarHBondContact O-CE 3.41Å; G209-K213 PolarHBondContact O-NZ 3.11Å; D210-K213 WeakPolarHBondContact O-CB 3.42Å; D210-K213 PolarHBondContact O-N 3.08Å; D210-K213 VanDerWaalsContact O-N 3.16Å; D210-K213 IonicContact OD1-NZ 2.65Å; D210-K213 PolarHBondContact OD1-NZ 2.83Å; Q211-K213 PolarHBondContact O-N 3.49Å | ||
| 214 | E | 24.7 | Very low | 37.6 | Very low | 168 Ų | 168 | 132.4 Ų | 132.4 | 79% | 0.785 | 70% | 0.695 | S | S | * | * | trans | -54.9 | 151.3 | 164.5 | -102.4 | -109.3 | 116.6 | 0 | 0 | 111.1 | R216 | E214-R216 PolarHBondContact O-N 3.38Å; E214-R216 VanDerWaalsContact O-N 3.17Å | ||
| 215 | P | 28.9 | Very low | 35.4 | Very low | 105 Ų | 105 | 136.7 Ų | 136.7 | 68% | 0.682 | 71% | 0.709 | S | S | * | * | trans | -77.1 | 111.2 | -150.1 | 28.2 | -35.1 | 0 | 0 | 0 | 113.8 | G217 | P215-G217 PolarHBondContact O-N 3.28Š| ||
| 216 | R | 27.4 | Very low | 33.2 | Very low | 251 Ų | 251 | 142 Ų | 142 | 95% | 0.947 | 73% | 0.727 | S | S | * | * | trans | -67.6 | 87.3 | 152.3 | -71.8 | -169.9 | 179.6 | -167 | 0.8 | 108.8 | E214 | E214-R216 PolarHBondContact O-N 3.38Å; E214-R216 VanDerWaalsContact O-N 3.17Å | ||
| 217 | G | 23.6 | Very low | 31.3 | Very low | 60 Ų | 60 | 142 Ų | 142 | 62% | 0.619 | 74% | 0.736 | S | S | * | * | trans | -62.6 | 154.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | P215 | P215-G217 PolarHBondContact O-N 3.28Š| ||
| 218 | N | 23 | Very low | 29.3 | Very low | 161 Ų | 161 | 139.2 Ų | 139.2 | 86% | 0.861 | 74% | 0.741 | S | S | * | * | trans | 44.9 | 86.3 | 163.1 | -65.7 | -13 | 0 | 0 | 0 | 117.5 | ||||
| 219 | L | 25.2 | Very low | 27.8 | Very low | 164 Ų | 164 | 144.6 Ų | 144.6 | 86% | 0.859 | 76% | 0.758 | S | S | * | * | trans | -143.2 | 110.1 | 136.2 | -140.1 | 74.3 | 0 | 0 | 0 | 111.2 | ||||
| 220 | R | 19.7 | Very low | 26.7 | Very low | 249 Ų | 249 | 146.5 Ų | 146.5 | 94% | 0.94 | 78% | 0.778 | S | S | * | * | trans | -97.1 | 137 | 160 | -86.5 | -172.2 | 172.7 | -165.9 | -1.2 | 108.1 | ||||
| 221 | A | 21.7 | Very low | 25.6 | Very low | 84 Ų | 84 | 148.2 Ų | 148.2 | 69% | 0.694 | 80% | 0.797 | S | S | * | * | trans | 71.4 | 158.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 222 | V | 22.7 | Very low | 24.8 | Very low | 147 Ų | 147 | 143.5 Ų | 143.5 | 89% | 0.891 | 80% | 0.795 | S | S | * | * | trans | 67.4 | 120.6 | 177.8 | -161.5 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 223 | G | 22.3 | Very low | 24.4 | Very low | 67 Ų | 67 | 144.2 Ų | 144.2 | 69% | 0.691 | 80% | 0.798 | S | S | * | * | cis | -171.8 | 175.4 | -2.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 224 | K | 22.9 | Very low | 24 | Very low | 207 Ų | 207 | 149 Ų | 149 | 90% | 0.9 | 81% | 0.812 | S | S | * | * | trans | -65.2 | 132.2 | 172.5 | -62.7 | -177 | 176.6 | -169.6 | 0 | 109.6 | ||||
| 225 | H | 23.4 | Very low | 24 | Very low | 183 Ų | 183 | 147.8 Ų | 147.8 | 85% | 0.847 | 82% | 0.819 | S | S | * | * | trans | -142.9 | 109.2 | 154.1 | -108.1 | -71.3 | 0 | 0 | 0 | 111.1 | ||||
| 226 | E | 21.2 | Very low | 23.9 | Very low | 178 Ų | 178 | 146 Ų | 146 | 83% | 0.832 | 82% | 0.82 | S | S | * | * | trans | -70.8 | 134.4 | 172.2 | -177.4 | -177.8 | 162.1 | 0 | 0 | 109.8 | ||||
| 227 | V | 24.2 | Very low | 23.8 | Very low | 113 Ų | 113 | 142.4 Ų | 142.4 | 69% | 0.685 | 81% | 0.814 | S | S | * | * | trans | -134.3 | 93.3 | 175.6 | -174.3 | 0 | 0 | 0 | 0 | 109 | F229 | V227-F229 HydrophobicContact CG1-CD2 4.09Å; V227-F229 HydrophobicContact CG1-CE2 3.86Å | ||
| 228 | A | 21.5 | Very low | 24 | Very low | 91 Ų | 91 | 149.2 Ų | 149.2 | 75% | 0.752 | 83% | 0.826 | S | S | * | * | trans | -72.6 | 140.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 229 | F | 25.3 | Very low | 24.2 | Very low | 192 Ų | 192 | 145.6 Ų | 145.6 | 84% | 0.842 | 82% | 0.818 | S | S | * | * | trans | -137.9 | 120.6 | 171.2 | -95.7 | -78.6 | 0 | 0 | 0 | 113.5 | V227 | V227-F229 HydrophobicContact CG1-CD2 4.09Å; V227-F229 HydrophobicContact CG1-CE2 3.86Å | ||
| 230 | G | 25.1 | Very low | 24.3 | Very low | 74 Ų | 74 | 145.4 Ų | 145.4 | 76% | 0.763 | 81% | 0.813 | S | S | * | * | trans | 65.1 | 98.2 | 136.2 | 0 | 0 | 0 | 0 | 0 | 118.5 | G232 | G230-G232 PolarHBondContact O-N 3.06Š| ||
| 231 | S | 24 | Very low | 24.7 | Very low | 130 Ų | 130 | 140 Ų | 140 | 91% | 0.909 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -61.2 | 128.5 | 163.8 | 54.8 | 0 | 0 | 0 | 0 | 112.7 | ||
| 232 | G | 25.9 | Very low | 25.1 | Very low | 73 Ų | 73 | 142.9 Ų | 142.9 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | trans | 104.8 | 77.5 | 152 | 0 | 0 | 0 | 0 | 0 | 118 | G230 | G230-G232 PolarHBondContact O-N 3.06Š| ||
| 233 | Q | 27.1 | Very low | 25.3 | Very low | 191 Ų | 191 | 142.5 Ų | 142.5 | 89% | 0.893 | 79% | 0.788 | S | S | * | * | trans | -153.9 | 152.9 | 149.1 | -109.4 | 159.5 | 20.1 | 0 | 0 | 110.5 | ||||
| 234 | R | 23.6 | Very low | 25.5 | Very low | 240 Ų | 240 | 150.1 Ų | 150.1 | 91% | 0.906 | 80% | 0.796 | S | S | * | * | trans | -79.6 | 125.9 | -173 | -76.1 | 177.3 | -86.4 | -172.5 | -6.1 | 111.1 | G236 | R234-G236 PolarHBondContact O-N 2.89Š| ||
| 235 | P | 26 | Very low | 25.6 | Very low | 143 Ų | 143 | 143.8 Ų | 143.8 | 93% | 0.929 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -78.6 | 83.1 | -179.5 | 31.6 | -34.6 | 0 | 0 | 0 | 111.5 | ||
| 236 | G | 25.1 | Very low | 25.8 | Very low | 68 Ų | 68 | 140.2 Ų | 140.2 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -119.9 | -22.8 | 177 | 0 | 0 | 0 | 0 | 0 | 115.9 | R234 | R234-G236 PolarHBondContact O-N 2.89Š|
| 237 | E | 26.6 | Very low | 26 | Very low | 176 Ų | 176 | 140.8 Ų | 140.8 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -123.9 | -4.1 | -159 | -67.9 | 179.1 | 118.8 | 0 | 0 | 116 | ||
| 238 | K | 27.3 | Very low | 26 | Very low | 203 Ų | 203 | 144.6 Ų | 144.6 | 88% | 0.883 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | 3.7 | -173.4 | -70.9 | -169.4 | 175.6 | -178.9 | 0 | 116.5 | ||
| 239 | A | 27.2 | Very low | 26.2 | Very low | 84 Ų | 84 | 146 Ų | 146 | 69% | 0.694 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | -10.2 | 178 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 240 | H | 27.7 | Very low | 26.2 | Very low | 160 Ų | 160 | 146.2 Ų | 146.2 | 74% | 0.741 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -94.3 | -26.2 | -163.7 | -141 | -109.6 | 0 | 0 | 0 | 115 | ||
| 241 | D | 27.7 | Very low | 26.2 | Very low | 136 Ų | 136 | 146 Ų | 146 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -84.2 | -22.3 | -172.3 | -77.4 | -41.4 | 0 | 0 | 0 | 115.1 | F243 | D241-F243 PolarHBondContact O-N 2.79Š|
| 242 | Q | 29.7 | Very low | 26.1 | Very low | 144 Ų | 144 | 145.7 Ų | 145.7 | 67% | 0.673 | 78% | 0.776 | S | S | * | * | G | 310 helix | trans | -69.5 | -21.3 | 177.4 | -69 | -171.1 | -6.3 | 0 | 0 | 112.9 | R244 A245 | Q242-R244 PolarHBondContact O-N 2.95Å; Q242-A245 PolarHBondContact O-N 3.19Å |
| 243 | F | 27.6 | Very low | 26.1 | Very low | 140 Ų | 140 | 151.5 Ų | 151.5 | 61% | 0.614 | 78% | 0.781 | S | S | * | * | G | 310 helix | trans | -67.2 | -14.9 | -179 | -93.6 | -83.7 | 0 | 0 | 0 | 114.9 | D241 | D241-F243 PolarHBondContact O-N 2.79Š|
| 244 | R | 25.5 | Very low | 26 | Very low | 226 Ų | 226 | 146.1 Ų | 146.1 | 85% | 0.853 | 78% | 0.777 | S | S | * | * | G | 310 helix | trans | -82 | -12.8 | 178.4 | -85.4 | -168.4 | 175.9 | -168.6 | 2.7 | 115.3 | Q242 | Q242-R244 PolarHBondContact O-N 2.95Š|
| 245 | A | 26 | Very low | 26 | Very low | 75 Ų | 75 | 140 Ų | 140 | 62% | 0.62 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -81.2 | -30.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q242 | Q242-A245 PolarHBondContact O-N 3.19Š|
| 246 | V | 27.3 | Very low | 26 | Very low | 107 Ų | 107 | 139 Ų | 139 | 65% | 0.648 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -80.5 | -22.5 | -164.5 | -176.7 | 0 | 0 | 0 | 0 | 113.6 | K248 | V246-K248 PolarHBondContact O-N 3.07Š|
| 247 | Q | 25.5 | Very low | 26 | Very low | 190 Ų | 190 | 145.1 Ų | 145.1 | 89% | 0.888 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | 27.8 | -179.4 | -62.2 | -162.2 | -81.8 | 0 | 0 | 114.9 | ||
| 248 | K | 24.7 | Very low | 25.9 | Very low | 193 Ų | 193 | 140.5 Ų | 140.5 | 84% | 0.839 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.2 | 14.1 | -171.3 | -143.8 | -174.4 | 178.1 | -171.8 | 0 | 115.5 | V246 | V246-K248 PolarHBondContact O-N 3.07Š|
| 249 | V | 25.8 | Very low | 25.7 | Very low | 122 Ų | 122 | 139.6 Ų | 139.6 | 74% | 0.739 | 77% | 0.771 | S | S | * | * | trans | -125.3 | 9.5 | -176.7 | -155.6 | 0 | 0 | 0 | 0 | 113.2 | G251 | V249-G251 PolarHBondContact O-N 3.05Š| ||
| 250 | E | 24.8 | Very low | 25.9 | Very low | 195 Ų | 195 | 140.3 Ų | 140.3 | 91% | 0.911 | 77% | 0.769 | S | S | * | * | trans | -83.4 | 83.2 | 163.6 | -69.4 | -169.4 | 137.1 | 0 | 0 | 109.2 | ||||
| 251 | G | 24.1 | Very low | 25.6 | Very low | 69 Ų | 69 | 138.9 Ų | 138.9 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | trans | -155.1 | -12.9 | -172.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | V249 | V249-G251 PolarHBondContact O-N 3.05Š| ||
| 252 | T | 23.7 | Very low | 25.4 | Very low | 124 Ų | 124 | 136.8 Ų | 136.8 | 76% | 0.761 | 77% | 0.773 | S | S | * | * | trans | -148.5 | 89.5 | -175.5 | 33.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 253 | F | 25.5 | Very low | 25.2 | Very low | 195 Ų | 195 | 134.7 Ų | 134.7 | 86% | 0.855 | 78% | 0.779 | S | S | * | * | trans | -134.7 | 88.5 | 156.1 | -103.7 | -85.4 | 0 | 0 | 0 | 108.8 | ||||
| 254 | G | 24.4 | Very low | 25 | Very low | 78 Ų | 78 | 136.7 Ų | 136.7 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | -81.4 | 145.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 255 | S | 24.4 | Very low | 24.9 | Very low | 112 Ų | 112 | 133 Ų | 133 | 78% | 0.783 | 79% | 0.787 | S | S | * | * | trans | -117.1 | 102.5 | 177.4 | 169.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 256 | V | 25.4 | Very low | 24.9 | Very low | 121 Ų | 121 | 140.7 Ų | 140.7 | 73% | 0.733 | 80% | 0.8 | S | S | * | * | S | Bend | trans | 69.2 | 122.2 | 160.9 | -174.5 | 0 | 0 | 0 | 0 | 117 | G258 | V256-G258 PolarHBondContact O-N 2.91Š|
| 257 | E | 24.6 | Very low | 24.8 | Very low | 198 Ų | 198 | 139.4 Ų | 139.4 | 93% | 0.925 | 80% | 0.795 | S | S | * | * | S | Bend | trans | 25.1 | 85.3 | 152.2 | -57 | -178.7 | 151.3 | 0 | 0 | 118.1 | ||
| 258 | G | 24.8 | Very low | 24.8 | Very low | 78 Ų | 78 | 137.4 Ų | 137.4 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | 169.3 | 117.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | V256 | V256-G258 PolarHBondContact O-N 2.91Š| ||
| 259 | E | 23.4 | Very low | 24.9 | Very low | 184 Ų | 184 | 132.8 Ų | 132.8 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | trans | -100.3 | 167.9 | 175.3 | -100.4 | -146.3 | 159.7 | 0 | 0 | 111.8 | ||||
| 260 | P | 30.2 | Very low | 25.1 | Very low | 100 Ų | 100 | 132.9 Ų | 132.9 | 65% | 0.649 | 79% | 0.79 | S | S | * | * | cis | -139 | -159.1 | -28.5 | 32.6 | -11.2 | 0 | 0 | 0 | 113.5 | ||||
| 261 | V | 22.4 | Very low | 25.2 | Very low | 129 Ų | 129 | 131.5 Ų | 131.5 | 78% | 0.782 | 79% | 0.788 | S | S | * | * | trans | 115.5 | 98.4 | 149.3 | -171.2 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 262 | A | 23.2 | Very low | 25.6 | Very low | 93 Ų | 93 | 134.5 Ų | 134.5 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | trans | 61 | 125.1 | 136 | 0 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 263 | A | 25.6 | Very low | 26 | Very low | 99 Ų | 99 | 137 Ų | 137 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | -149.1 | 165.3 | 126.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 264 | H | 24.4 | Very low | 26.6 | Very low | 183 Ų | 183 | 132.6 Ų | 132.6 | 85% | 0.847 | 76% | 0.761 | S | S | * | * | trans | -119.8 | 174.8 | -175.4 | -94.7 | 24.9 | 0 | 0 | 0 | 113.5 | ||||
| 265 | L | 23.2 | Very low | 27.2 | Very low | 148 Ų | 148 | 132.6 Ų | 132.6 | 78% | 0.775 | 74% | 0.743 | S | S | * | * | trans | -50.4 | 167.5 | 172.3 | -72.4 | 65.7 | 0 | 0 | 0 | 112.5 | ||||
| 266 | W | 24.6 | Very low | 27.7 | Very low | 237 Ų | 237 | 133.7 Ų | 133.7 | 90% | 0.898 | 75% | 0.747 | S | S | * | * | cis | -159.2 | -157.5 | 30.6 | -150.3 | 20.1 | 0 | 0 | 0 | 113.6 | ||||
| 267 | S | 26.2 | Very low | 28.2 | Very low | 79 Ų | 79 | 137.5 Ų | 137.5 | 55% | 0.552 | 75% | 0.754 | S | S | * | * | trans | -75.1 | 148.4 | -172.3 | 55 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 268 | N | 26.1 | Very low | 29.5 | Very low | 149 Ų | 149 | 132.4 Ų | 132.4 | 80% | 0.797 | 74% | 0.736 | S | S | * | * | 171.9 | 78.7 | 127.2 | -86.1 | -5.5 | 0 | 0 | 0 | 113.3 | E270 | N268-E270 VanDerWaalsContact C-N 3.28Å; N268-E270 PolarHBondContact O-N 2.99Å | |||
| 269 | G | 27.1 | Very low | 30 | Very low | 95 Ų | 95 | 130.7 Ų | 130.7 | 98% | 0.979 | 72% | 0.718 | S | S | * | * | S | Bend | trans | 71.1 | -25.3 | 152.2 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||
| 270 | E | 28.5 | Very low | 30.9 | Very low | 124 Ų | 124 | 129.4 Ų | 129.4 | 58% | 0.579 | 71% | 0.71 | S | S | * | * | trans | -114.6 | 132 | -176.8 | -71.3 | -170.5 | 167.8 | 0 | 0 | 113.6 | N268 R272 | N268-E270 VanDerWaalsContact C-N 3.28Å; N268-E270 PolarHBondContact O-N 2.99Å; E270-R272 HydrophobicContact CB-CG 4.46Å; E270-R272 IonicContact OE1-NH2 3.03Å; E270-R272 IonicContact OE2-CZ 3.97Å; E270-R272 IonicContact OE2-NE 3.38Å; E270-R272 PolarHBondContact OE2-NE 3.36Å; E270-R272 IonicContact OE2-NH2 2.71Å; E270-R272 PolarHBondContact OE2-NH2 2.81Å | ||
| 271 | L | 28.1 | Very low | 31.4 | Very low | 167 Ų | 167 | 131.1 Ų | 131.1 | 87% | 0.874 | 71% | 0.707 | S | S | * | * | trans | -79.4 | 121.7 | 166.1 | -71 | 171.6 | 0 | 0 | 0 | 110.1 | ||||
| 272 | R | 31.5 | Very low | 31.9 | Very low | 132 Ų | 132 | 132 Ų | 132 | 50% | 0.498 | 70% | 0.702 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -131.1 | 120.4 | 175.5 | -61.7 | -171.9 | 176.7 | -157.5 | -0.9 | 109.9 | E270 | E270-R272 HydrophobicContact CB-CG 4.46Å; E270-R272 IonicContact OE1-NH2 3.03Å; E270-R272 IonicContact OE2-CZ 3.97Å; E270-R272 IonicContact OE2-NE 3.38Å; E270-R272 PolarHBondContact OE2-NE 3.36Å; E270-R272 IonicContact OE2-NH2 2.71Å; E270-R272 PolarHBondContact OE2-NH2 2.81Å |
| 273 | F | 32.5 | Very low | 32.4 | Very low | 177 Ų | 177 | 131.4 Ų | 131.4 | 78% | 0.776 | 69% | 0.691 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -73.2 | 148.3 | 175.4 | -86.8 | -92.2 | 0 | 0 | 0 | 111.3 | K281 Q282 | F273-K281 WeakPolarHBondContact O-CA 3.5Å; F273-Q282 PolarHBondContact O-N 2.83Å |
| 274 | Q | 37.7 | Very low | 32.7 | Very low | 102 Ų | 102 | 134.1 Ų | 134.1 | 48% | 0.477 | 69% | 0.691 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -112.7 | 128.6 | 173.2 | -166.3 | 167.3 | 1.1 | 0 | 0 | 108.9 | P276 G279 K281 | Q274-P276 WeakPolarHBondContact O-CD 3.34Å; Q274-G279 WeakPolarHBondContact CG-O 3.47Å; Q274-G279 PolarHBondContact NE2-O 2.97Å; Q274-K281 HydrophobicContact CB-CG 3.88Å; Q274-K281 HydrophobicContact CG-CG 3.72Å |
| 275 | N | 38.3 | Very low | 32.8 | Very low | 78 Ų | 78 | 129.9 Ų | 129.9 | 42% | 0.417 | 69% | 0.688 | S | S | . | * | trans | -74.9 | 119.9 | -176.7 | -176.7 | -44.1 | 0 | 0 | 0 | 110.8 | K277 T278 G279 K280 | N275-K277 PolarHBondContact O-N 2.96Å; N275-K277 PolarHBondContact OD1-N 3.3Å; N275-T278 WeakPolarHBondContact CB-OG1 3.47Å; N275-T278 PolarHBondContact O-N 3.17Å; N275-G279 PolarHBondContact O-N 2.94Å; N275-K280 PolarHBondContact N-O 3.23Å | ||
| 276 | P | 33.7 | Very low | 32.8 | Very low | 134 Ų | 134 | 128.6 Ų | 128.6 | 87% | 0.87 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.9 | -18.7 | -175 | -25.4 | 35.4 | 0 | 0 | 0 | 115.5 | Q274 | Q274-P276 WeakPolarHBondContact O-CD 3.34Š|
| 277 | K | 36.7 | Very low | 32.7 | Very low | 202 Ų | 202 | 129 Ų | 129 | 88% | 0.878 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.1 | -11.1 | -179 | -64.7 | -172.2 | 177.4 | -175.6 | 0 | 114.2 | N275 | N275-K277 PolarHBondContact O-N 2.96Å; N275-K277 PolarHBondContact OD1-N 3.3Å |
| 278 | T | 51 | Low | 32.6 | Very low | 90 Ų | 90 | 130 Ų | 130 | 55% | 0.552 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139 | -3 | -173.9 | 63.7 | 0 | 0 | 0 | 0 | 115 | N275 K280 | N275-T278 WeakPolarHBondContact CB-OG1 3.47Å; N275-T278 PolarHBondContact O-N 3.17Å; T278-K280 PolarHBondContact O-N 3.09Å |
| 279 | G | 36.1 | Very low | 32.4 | Very low | 42 Ų | 42 | 131.5 Ų | 131.5 | 43% | 0.433 | 71% | 0.71 | S | S | . | * | trans | 68.7 | -10.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | Q274 N275 | Q274-G279 WeakPolarHBondContact CG-O 3.47Å; Q274-G279 PolarHBondContact NE2-O 2.97Å; N275-G279 PolarHBondContact O-N 2.94Å | ||
| 280 | K | 42.9 | Very low | 32.4 | Very low | 158 Ų | 158 | 135.8 Ų | 135.8 | 69% | 0.687 | 71% | 0.71 | S | S | * | * | trans | -74 | 140.9 | 179.8 | -66.6 | -176.2 | 179.5 | -179.1 | 0 | 111.3 | N275 T278 | N275-K280 PolarHBondContact N-O 3.23Å; T278-K280 PolarHBondContact O-N 3.09Å | ||
| 281 | K | 39.8 | Very low | 32.2 | Very low | 135 Ų | 135 | 133.6 Ų | 133.6 | 59% | 0.587 | 71% | 0.713 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -101.8 | 138.6 | 174.5 | -62.3 | -175.9 | 175.9 | -176.7 | 0 | 110 | F273 Q274 | F273-K281 WeakPolarHBondContact O-CA 3.5Å; Q274-K281 HydrophobicContact CB-CG 3.88Å; Q274-K281 HydrophobicContact CG-CG 3.72Å |
| 282 | Q | 33.6 | Very low | 32.2 | Very low | 147 Ų | 147 | 130.2 Ų | 130.2 | 69% | 0.687 | 70% | 0.701 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -137.5 | 147.5 | 176.2 | -73.4 | -176.4 | -23.9 | 0 | 0 | 111.5 | F273 | F273-Q282 PolarHBondContact O-N 2.83Å |
| 283 | P | 32.2 | Very low | 31.9 | Very low | 82 Ų | 82 | 131.7 Ų | 131.7 | 53% | 0.532 | 72% | 0.719 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -78.3 | 150.1 | 173.3 | 33.7 | -34.3 | 0 | 0 | 0 | 111.5 | ||
| 284 | L | 32.2 | Very low | 31.8 | Very low | 155 Ų | 155 | 128.1 Ų | 128.1 | 81% | 0.812 | 71% | 0.708 | S | S | * | * | trans | -95.6 | 112.4 | -179 | -171.1 | 73.4 | 0 | 0 | 0 | 110.9 | ||||
| 285 | A | 26.1 | Very low | 31.6 | Very low | 95 Ų | 95 | 128.9 Ų | 128.9 | 79% | 0.785 | 72% | 0.719 | S | S | * | * | trans | -79 | 146.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 286 | S | 24.7 | Very low | 31.2 | Very low | 120 Ų | 120 | 127.8 Ų | 127.8 | 84% | 0.839 | 72% | 0.721 | S | S | * | * | trans | -89.3 | 149.7 | -177.2 | 54.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 287 | R | 21 | Very low | 30.9 | Very low | 245 Ų | 245 | 123.9 Ų | 123.9 | 93% | 0.925 | 69% | 0.694 | S | S | * | * | trans | 151.5 | 116.1 | 143.2 | -179.1 | 177.8 | -164.8 | 163.7 | 2.9 | 113 | ||||
| 288 | A | 25 | Very low | 30.5 | Very low | 102 Ų | 102 | 123.8 Ų | 123.8 | 84% | 0.843 | 69% | 0.689 | S | S | * | * | trans | -157.7 | 127.1 | 152.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 289 | M | 22.3 | Very low | 29.7 | Very low | 180 Ų | 180 | 121.3 Ų | 121.3 | 89% | 0.887 | 68% | 0.675 | S | S | * | * | trans | -115.2 | 140.5 | 165.2 | -71.2 | 162.8 | 56.9 | 0 | 0 | 107.4 | ||||
| 290 | L | 26 | Very low | 29.3 | Very low | 184 Ų | 184 | 125.8 Ų | 125.8 | 96% | 0.963 | 68% | 0.679 | S | S | * | * | trans | -141 | 156 | 160.1 | -77.7 | -179 | 0 | 0 | 0 | 110.1 | ||||
| 291 | A | 23.8 | Very low | 28.6 | Very low | 78 Ų | 78 | 125.4 Ų | 125.4 | 65% | 0.645 | 68% | 0.678 | S | S | * | * | trans | -94.8 | 158.6 | -164 | 0 | 0 | 0 | 0 | 0 | 114.1 | D293 | A291-D293 PolarHBondContact O-N 3.22Š| ||
| 292 | P | 30.2 | Very low | 28.2 | Very low | 97 Ų | 97 | 123.2 Ų | 123.2 | 63% | 0.63 | 68% | 0.676 | S | S | * | * | trans | -98.4 | 72.6 | -172.6 | 38.6 | -35.4 | 0 | 0 | 0 | 114.5 | T297 | P292-T297 HydrophobicContact CB-CG2 4.09Š| ||
| 293 | D | 24.7 | Very low | 28.3 | Very low | 163 Ų | 163 | 119.2 Ų | 119.2 | 87% | 0.872 | 65% | 0.654 | S | S | * | * | trans | -102.6 | 57.8 | 173.2 | -76 | -54 | 0 | 0 | 0 | 112.6 | A291 | A291-D293 PolarHBondContact O-N 3.22Š| ||
| 294 | D | 29.5 | Very low | 28.3 | Very low | 102 Ų | 102 | 120.4 Ų | 120.4 | 55% | 0.545 | 65% | 0.651 | S | S | . | * | trans | -139.3 | 143.2 | 175.1 | -161.4 | -30.2 | 0 | 0 | 0 | 111.9 | A296 T297 | D294-A296 PolarHBondContact O-N 2.91Å; D294-A296 PolarHBondContact OD1-N 2.82Å; D294-T297 WeakPolarHBondContact O-CB 3.44Å; D294-T297 PolarHBondContact O-N 2.95Å; D294-T297 PolarHBondContact O-OG1 3.18Å | ||
| 295 | V | 33.1 | Very low | 28.4 | Very low | 118 Ų | 118 | 114.6 Ų | 114.6 | 72% | 0.715 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -63.1 | -31 | 173.6 | -178.2 | 0 | 0 | 0 | 0 | 110.9 | T297 R298 S299 | V295-T297 VanDerWaalsContact C-N 3.26Å; V295-T297 PolarHBondContact O-N 3.06Å; V295-R298 PolarHBondContact O-N 2.9Å; V295-R298 VanDerWaalsContact O-N 3.16Å; V295-S299 PolarHBondContact O-N 2.65Å |
| 296 | A | 29.8 | Very low | 29 | Very low | 55 Ų | 55 | 110.7 Ų | 110.7 | 46% | 0.455 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -55.5 | -40.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | D294 R298 S299 W300 | D294-A296 PolarHBondContact O-N 2.91Å; D294-A296 PolarHBondContact OD1-N 2.82Å; A296-R298 VanDerWaalsContact C-N 3.32Å; A296-R298 PolarHBondContact O-N 3.06Å; A296-S299 WeakPolarHBondContact O-CB 3.41Å; A296-S299 PolarHBondContact O-N 3.25Å; A296-W300 PolarHBondContact O-N 3.11Å |
| 297 | T | 28.4 | Very low | 29.5 | Very low | 51 Ų | 51 | 108.2 Ų | 108.2 | 31% | 0.313 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -66.3 | -33.2 | -179.6 | -33.2 | 0 | 0 | 0 | 0 | 112.1 | P292 D294 V295 W300 F301 | P292-T297 HydrophobicContact CB-CG2 4.09Å; D294-T297 WeakPolarHBondContact O-CB 3.44Å; D294-T297 PolarHBondContact O-N 2.95Å; D294-T297 PolarHBondContact O-OG1 3.18Å; V295-T297 VanDerWaalsContact C-N 3.26Å; V295-T297 PolarHBondContact O-N 3.06Å; T297-W300 PolarHBondContact O-N 2.73Å; T297-F301 PolarHBondContact O-N 2.92Å; T297-F301 VanDerWaalsContact O-N 3.09Å |
| 298 | R | 27.8 | Very low | 30.2 | Very low | 200 Ų | 200 | 96.9 Ų | 96.9 | 76% | 0.755 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -68.2 | -40.4 | 174 | -65.4 | -174.1 | -179.9 | -175.8 | 1.6 | 111.8 | V295 A296 W300 F301 T302 | V295-R298 PolarHBondContact O-N 2.9Å; V295-R298 VanDerWaalsContact O-N 3.16Å; A296-R298 VanDerWaalsContact C-N 3.32Å; A296-R298 PolarHBondContact O-N 3.06Å; R298-W300 VanDerWaalsContact C-N 3.33Å; R298-F301 PolarHBondContact O-N 2.9Å; R298-T302 PolarHBondContact O-N 3.08Å; R298-T302 VanDerWaalsContact O-N 3.15Å; R298-T302 PolarHBondContact O-OG1 3.25Å |
| 299 | S | 33.6 | Very low | 30.8 | Very low | 38 Ų | 38 | 92.4 Ų | 92.4 | 27% | 0.266 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.4 | -38.3 | 174.5 | -174.6 | 0 | 0 | 0 | 0 | 112.2 | V295 A296 T302 R303 | V295-S299 PolarHBondContact O-N 2.65Å; A296-S299 WeakPolarHBondContact O-CB 3.41Å; A296-S299 PolarHBondContact O-N 3.25Å; S299-T302 PolarHBondContact O-N 2.86Å; S299-T302 PolarHBondContact O-OG1 3.1Å; S299-T302 VanDerWaalsContact O-OG1 3.09Å; S299-R303 WeakPolarHBondContact O-CD 3.27Å; S299-R303 VanDerWaalsContact O-CG 3.29Å; S299-R303 WeakPolarHBondContact O-CG 3.49Å; S299-R303 PolarHBondContact O-N 3.33Å; S299-R303 PolarHBondContact OG-NE 3.32Å |
| 300 | W | 29.1 | Very low | 31.9 | Very low | 137 Ų | 137 | 85.8 Ų | 85.8 | 52% | 0.519 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -61 | -42.4 | 171.9 | -107.7 | 78.2 | 0 | 0 | 0 | 112.6 | A296 T297 R298 T302 R303 F304 L330 I332 | A296-W300 PolarHBondContact O-N 3.11Å; T297-W300 PolarHBondContact O-N 2.73Å; R298-W300 VanDerWaalsContact C-N 3.33Å; W300-T302 PolarHBondContact O-N 2.85Å; W300-R303 PolarHBondContact O-N 3.31Å; W300-F304 WeakPolarHBondContact O-CB 3.36Å; W300-F304 PolarHBondContact O-N 3.01Å; W300-L330 HydrophobicContact CH2-CD2 3.61Å; W300-L330 HydrophobicContact CZ3-CD2 3.99Å; W300-I332 HydrophobicContact CH2-CD1 4Å; W300-I332 HydrophobicContact CZ2-CD1 4.26Å |
| 301 | F | 27.2 | Very low | 32.6 | Very low | 150 Ų | 150 | 80.4 Ų | 80.4 | 66% | 0.658 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -65 | -33.9 | 177.5 | -104.6 | -87 | 0 | 0 | 0 | 113.6 | T297 R298 L305 | T297-F301 PolarHBondContact O-N 2.92Å; T297-F301 VanDerWaalsContact O-N 3.09Å; R298-F301 PolarHBondContact O-N 2.9Å; F301-L305 PolarHBondContact O-N 3.17Å |
| 302 | T | 31.3 | Very low | 33.7 | Very low | 89 Ų | 89 | 76.8 Ų | 76.8 | 55% | 0.546 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -75.1 | -36.3 | 173 | 35.9 | 0 | 0 | 0 | 0 | 113.4 | R298 S299 W300 L305 S306 | R298-T302 PolarHBondContact O-N 3.08Å; R298-T302 VanDerWaalsContact O-N 3.15Å; R298-T302 PolarHBondContact O-OG1 3.25Å; S299-T302 PolarHBondContact O-N 2.86Å; S299-T302 PolarHBondContact O-OG1 3.1Å; S299-T302 VanDerWaalsContact O-OG1 3.09Å; W300-T302 PolarHBondContact O-N 2.85Å; T302-L305 WeakPolarHBondContact O-CA 3.33Å; T302-L305 WeakPolarHBondContact O-CB 3.49Å; T302-L305 PolarHBondContact O-N 3.08Å; T302-L305 VanDerWaalsContact O-N 3.09Å; T302-S306 PolarHBondContact O-N 2.86Å |
| 303 | R | 36.4 | Very low | 34.5 | Very low | 62 Ų | 62 | 76 Ų | 76 | 23% | 0.234 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -66.6 | -40.3 | 173.9 | -70.1 | 160.7 | 174.8 | -111.7 | 0.7 | 112.8 | T124 L125 M126 S299 W300 L305 S306 V307 | T124-R303 VanDerWaalsContact CB-NH2 3.27Å; T124-R303 PolarHBondContact OG1-NH2 2.71Å; L125-R303 VanDerWaalsContact O-CZ 3.29Å; L125-R303 PolarHBondContact O-NH1 3.35Å; L125-R303 PolarHBondContact O-NH2 2.92Å; M126-R303 VanDerWaalsContact CG-NH2 3.32Å; S299-R303 WeakPolarHBondContact O-CD 3.27Å; S299-R303 VanDerWaalsContact O-CG 3.29Å; S299-R303 WeakPolarHBondContact O-CG 3.49Å; S299-R303 PolarHBondContact O-N 3.33Å; S299-R303 PolarHBondContact OG-NE 3.32Å; W300-R303 PolarHBondContact O-N 3.31Å; R303-L305 PolarHBondContact O-N 2.86Å; R303-S306 PolarHBondContact O-OG 3.44Å; R303-S306 VanDerWaalsContact O-OG 3.07Å; R303-V307 WeakPolarHBondContact O-CG2 3.46Å; R303-V307 PolarHBondContact O-N 2.83Å |
| 304 | F | 31.8 | Very low | 35.4 | Very low | 108 Ų | 108 | 69.5 Ų | 69.5 | 47% | 0.474 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.2 | -25.3 | 172.3 | -157.4 | -89.2 | 0 | 0 | 0 | 111.1 | W300 S308 | W300-F304 WeakPolarHBondContact O-CB 3.36Å; W300-F304 PolarHBondContact O-N 3.01Å; F304-S308 WeakPolarHBondContact O-CB 3.43Å; F304-S308 PolarHBondContact O-N 2.87Å; F304-S308 VanDerWaalsContact O-N 3.1Å; F304-S308 PolarHBondContact O-OG 3.29Å |
| 305 | L | 34.2 | Very low | 36.1 | Very low | 32 Ų | 32 | 65 Ų | 65 | 17% | 0.168 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -69.1 | -55.3 | 177.9 | -135.5 | 89.5 | 0 | 0 | 0 | 112.8 | K27 F301 T302 R303 S308 L309 | K27-L305 VanDerWaalsContact NZ-CD2 3.27Å; F301-L305 PolarHBondContact O-N 3.17Å; T302-L305 WeakPolarHBondContact O-CA 3.33Å; T302-L305 WeakPolarHBondContact O-CB 3.49Å; T302-L305 PolarHBondContact O-N 3.08Å; T302-L305 VanDerWaalsContact O-N 3.09Å; R303-L305 PolarHBondContact O-N 2.86Å; L305-S308 PolarHBondContact O-N 2.86Å; L305-S308 PolarHBondContact O-OG 3.18Å; L305-L309 HydrophobicContact CD2-CD1 4.26Å; L305-L309 HydrophobicContact CG-CD1 4.36Å; L305-L309 WeakPolarHBondContact O-CB 3.33Å; L305-L309 VanDerWaalsContact O-CG 3.29Å; L305-L309 WeakPolarHBondContact O-CG 3.31Å; L305-L309 PolarHBondContact O-N 2.98Å |
| 306 | S | 39.1 | Very low | 36.7 | Very low | 14 Ų | 14 | 60.6 Ų | 60.6 | 10% | 0.098 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.7 | -50.6 | -178.7 | 47.9 | 0 | 0 | 0 | 0 | 110.5 | E128 T302 R303 S308 L309 L310 | E128-S306 WeakPolarHBondContact OE2-CB 3.38Å; E128-S306 PolarHBondContact OE2-OG 2.77Å; T302-S306 PolarHBondContact O-N 2.86Å; R303-S306 PolarHBondContact O-OG 3.44Å; R303-S306 VanDerWaalsContact O-OG 3.07Å; S306-S308 VanDerWaalsContact C-N 3.33Å; S306-S308 PolarHBondContact O-N 2.94Å; S306-L309 PolarHBondContact O-N 3.19Å; S306-L310 VanDerWaalsContact O-CB 3.28Å; S306-L310 WeakPolarHBondContact O-CB 3.26Å; S306-L310 PolarHBondContact O-N 2.77Å |
| 307 | V | 36.3 | Very low | 37.4 | Very low | 67 Ų | 67 | 62 Ų | 62 | 41% | 0.406 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -58.3 | -42 | 177.4 | 176.5 | 0 | 0 | 0 | 0 | 111.6 | R303 R311 | R303-V307 WeakPolarHBondContact O-CG2 3.46Å; R303-V307 PolarHBondContact O-N 2.83Å; V307-R311 WeakPolarHBondContact O-CB 3.45Å; V307-R311 PolarHBondContact O-N 3.21Å |
| 308 | S | 33.9 | Very low | 38 | Very low | 7 Ų | 7 | 60.7 Ų | 60.7 | 5% | 0.049 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -79.3 | -31.3 | -178.5 | 61.4 | 0 | 0 | 0 | 0 | 114.7 | Q31 F304 L305 S306 | Q31-S308 WeakPolarHBondContact CG-OG 3.38Å; Q31-S308 PolarHBondContact NE2-OG 3.44Å; F304-S308 WeakPolarHBondContact O-CB 3.43Å; F304-S308 PolarHBondContact O-N 2.87Å; F304-S308 VanDerWaalsContact O-N 3.1Å; F304-S308 PolarHBondContact O-OG 3.29Å; L305-S308 PolarHBondContact O-N 2.86Å; L305-S308 PolarHBondContact O-OG 3.18Å; S306-S308 VanDerWaalsContact C-N 3.33Å; S306-S308 PolarHBondContact O-N 2.94Å |
| 309 | L | 38.3 | Very low | 38.7 | Very low | 9 Ų | 9 | 55.5 Ų | 55.5 | 5% | 0.047 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.1 | -50.2 | 170 | -75.1 | 164.6 | 0 | 0 | 0 | 110.8 | A30 V84 L305 S306 R312 R313 | A30-L309 HydrophobicContact CB-CD2 3.71Å; V84-L309 HydrophobicContact CG2-CD1 4.32Å; L305-L309 HydrophobicContact CD2-CD1 4.26Å; L305-L309 HydrophobicContact CG-CD1 4.36Å; L305-L309 WeakPolarHBondContact O-CB 3.33Å; L305-L309 VanDerWaalsContact O-CG 3.29Å; L305-L309 WeakPolarHBondContact O-CG 3.31Å; L305-L309 PolarHBondContact O-N 2.98Å; S306-L309 PolarHBondContact O-N 3.19Å; L309-R312 PolarHBondContact O-N 3.12Å; L309-R312 VanDerWaalsContact O-N 3.11Å; L309-R313 PolarHBondContact O-N 3.29Å |
| 310 | L | 44.4 | Very low | 39.2 | Very low | 40 Ų | 40 | 60.9 Ų | 60.9 | 21% | 0.209 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -77.3 | -34.5 | -173.3 | -171.9 | 41.5 | 0 | 0 | 0 | 112.6 | M129 S306 R312 R313 I314 | M129-L310 HydrophobicContact CB-CD2 3.6Å; M129-L310 HydrophobicContact CB-CG 4.18Å; M129-L310 HydrophobicContact CG-CD2 3.75Å; M129-L310 HydrophobicContact CG-CG 4.16Å; M129-L310 WeakPolarHBondContact O-CD2 3.29Å; M129-L310 HydrophobicContact SD-CD1 4.24Å; M129-L310 HydrophobicContact SD-CD2 4.05Å; M129-L310 HydrophobicContact SD-CG 3.76Å; S306-L310 VanDerWaalsContact O-CB 3.28Å; S306-L310 WeakPolarHBondContact O-CB 3.26Å; S306-L310 PolarHBondContact O-N 2.77Å; L310-R312 PolarHBondContact O-N 3.27Å; L310-R312 VanDerWaalsContact O-N 3.1Å; L310-R313 HydrophobicContact CD1-CB 4.13Å; L310-R313 PolarHBondContact O-N 2.97Å; L310-R313 VanDerWaalsContact O-N 3.17Å; L310-I314 PolarHBondContact O-N 2.94Å; L310-I314 VanDerWaalsContact O-N 3.09Å |
| 311 | R | 41.9 | Very low | 39.9 | Very low | 71 Ų | 71 | 58.2 Ų | 58.2 | 27% | 0.268 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -47.6 | -36.5 | 163 | 171.2 | -177.5 | 176.2 | -141 | -1.9 | 111.6 | V307 I314 C315 S327 | V307-R311 WeakPolarHBondContact O-CB 3.45Å; V307-R311 PolarHBondContact O-N 3.21Å; R311-I314 WeakPolarHBondContact O-CB 3.49Å; R311-C315 PolarHBondContact O-N 3.18Å; R311-C315 PolarHBondContact O-SG 3.02Å; R311-S327 VanDerWaalsContact NH2-C 3.32Å |
| 312 | R | 47.2 | Very low | 40.1 | Very low | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.008 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -84.2 | -33.3 | -178.8 | -164.7 | 178.1 | 177.8 | -132.5 | 12.9 | 114.3 | I29 A30 N34 A35 H36 L309 L310 I314 C315 D316 | I29-R312 VanDerWaalsContact CG2-NH2 3.35Å; A30-R312 VanDerWaalsContact CA-CD 3.46Å; A30-R312 VanDerWaalsContact O-CD 3.24Å; A30-R312 WeakPolarHBondContact O-CD 3.02Å; N34-R312 VanDerWaalsContact O-CZ 3.29Å; N34-R312 PolarHBondContact O-NE 3.34Å; N34-R312 PolarHBondContact O-NH2 3.35Å; A35-R312 PolarHBondContact O-NH2 3.41Å; H36-R312 PolarHBondContact CD2-NH1 3.18Å; H36-R312 PolarHBondContact CD2-NH2 2.76Å; H36-R312 PolarHBondContact NE2-NH1 3.4Å; L309-R312 PolarHBondContact O-N 3.12Å; L309-R312 VanDerWaalsContact O-N 3.11Å; L310-R312 PolarHBondContact O-N 3.27Å; L310-R312 VanDerWaalsContact O-N 3.1Å; R312-I314 PolarHBondContact O-N 3.39Å; R312-C315 HydrophobicContact CG-CB 4.5Å; R312-C315 CarbonylContact O-C 3.49Å; R312-C315 PolarHBondContact O-N 2.82Å; R312-C315 VanDerWaalsContact O-N 3.12Å; R312-D316 WeakPolarHBondContact CG-OD2 3.5Å; R312-D316 IonicContact CZ-OD2 3.6Å; R312-D316 IonicContact NE-OD2 2.72Å; R312-D316 PolarHBondContact NE-OD2 3.29Å; R312-D316 WeakPolarHBondContact O-CB 3.4Å; R312-D316 VanDerWaalsContact O-CG 3.31Å; R312-D316 PolarHBondContact O-N 3.14Å |
| 313 | R | 46.4 | Very low | 40.1 | Very low | 80 Ų | 80 | 51.2 Ų | 51.2 | 30% | 0.302 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -54 | -43 | 166.4 | -109.3 | -175.5 | 179.2 | 173.9 | -0.5 | 110.1 | D78 L309 L310 D316 E317 | D78-R313 IonicContact OD1-CZ 3.87Å; D78-R313 VanDerWaalsContact OD1-CZ 3.3Å; D78-R313 IonicContact OD1-NE 3.48Å; D78-R313 PolarHBondContact OD1-NE 3.18Å; D78-R313 IonicContact OD1-NH2 2.76Å; D78-R313 PolarHBondContact OD1-NH2 3.32Å; L309-R313 PolarHBondContact O-N 3.29Å; L310-R313 HydrophobicContact CD1-CB 4.13Å; L310-R313 PolarHBondContact O-N 2.97Å; L310-R313 VanDerWaalsContact O-N 3.17Å; R313-D316 PolarHBondContact O-N 2.81Å; R313-E317 PolarHBondContact O-N 3.26Å |
| 314 | I | 44.4 | Very low | 39.9 | Very low | 28 Ų | 28 | 52.3 Ų | 52.3 | 14% | 0.144 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.6 | -53.8 | 170.7 | -69 | 160.9 | 0 | 0 | 0 | 112.2 | M129 V132 L310 R311 R312 D316 E317 L318 | M129-I314 HydrophobicContact CE-CD1 3.53Å; M129-I314 HydrophobicContact SD-CD1 3.44Å; M129-I314 WeakPolarHBondContact SD-CD1 3.32Å; M129-I314 HydrophobicContact SD-CG1 4.41Å; V132-I314 HydrophobicContact CB-CG1 4.48Å; V132-I314 HydrophobicContact CG2-CD1 3.78Å; V132-I314 HydrophobicContact CG2-CG1 3.64Å; L310-I314 PolarHBondContact O-N 2.94Å; L310-I314 VanDerWaalsContact O-N 3.09Å; R311-I314 WeakPolarHBondContact O-CB 3.49Å; R312-I314 PolarHBondContact O-N 3.39Å; I314-D316 PolarHBondContact O-N 3.23Å; I314-D316 VanDerWaalsContact O-N 3.15Å; I314-E317 PolarHBondContact O-N 3.28Å; I314-L318 HydrophobicContact CG2-CD1 3.55Å; I314-L318 HydrophobicContact CG2-CG 4.07Å; I314-L318 VanDerWaalsContact O-CB 3.24Å; I314-L318 WeakPolarHBondContact O-CB 3.43Å; I314-L318 VanDerWaalsContact O-CG 3.29Å; I314-L318 WeakPolarHBondContact O-CG 3.37Å; I314-L318 PolarHBondContact O-N 3.47Å |
| 315 | C | 42.4 | Very low | 40 | Very low | 7 Ų | 7 | 49.4 Ų | 49.4 | 5% | 0.047 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -56.5 | -32 | 179.2 | -68.4 | 0 | 0 | 0 | 0 | 112.7 | R311 R312 K319 V325 | R311-C315 PolarHBondContact O-N 3.18Å; R311-C315 PolarHBondContact O-SG 3.02Å; R312-C315 HydrophobicContact CG-CB 4.5Å; R312-C315 CarbonylContact O-C 3.49Å; R312-C315 PolarHBondContact O-N 2.82Å; R312-C315 VanDerWaalsContact O-N 3.12Å; C315-K319 VanDerWaalsContact O-CB 3.32Å; C315-K319 WeakPolarHBondContact O-CB 3.32Å; C315-K319 VanDerWaalsContact O-CD 3.3Å; C315-K319 WeakPolarHBondContact O-CD 3.24Å; C315-K319 WeakPolarHBondContact O-CG 3.46Å; C315-K319 PolarHBondContact O-N 2.89Å; C315-V325 HydrophobicContact CB-CG2 4.5Å |
| 316 | D | 46.7 | Very low | 39.8 | Very low | 26 Ų | 26 | 53 Ų | 53 | 14% | 0.139 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -89.4 | -26.7 | -174.7 | -65.6 | -10.8 | 0 | 0 | 0 | 112.3 | H36 R312 R313 I314 K319 Q320 | H36-D316 IonicContact CE1-OD2 2.73Å; H36-D316 PolarHBondContact CE1-OD2 2.88Å; H36-D316 IonicContact NE2-OD2 3.74Å; R312-D316 WeakPolarHBondContact CG-OD2 3.5Å; R312-D316 IonicContact CZ-OD2 3.6Å; R312-D316 IonicContact NE-OD2 2.72Å; R312-D316 PolarHBondContact NE-OD2 3.29Å; R312-D316 WeakPolarHBondContact O-CB 3.4Å; R312-D316 VanDerWaalsContact O-CG 3.31Å; R312-D316 PolarHBondContact O-N 3.14Å; R313-D316 PolarHBondContact O-N 2.81Å; I314-D316 PolarHBondContact O-N 3.23Å; I314-D316 VanDerWaalsContact O-N 3.15Å; D316-K319 WeakPolarHBondContact OD1-CD 3.41Å; D316-K319 WeakPolarHBondContact OD1-CE 3.45Å; D316-K319 IonicContact OD1-NZ 2.76Å; D316-K319 PolarHBondContact OD1-NZ 2.8Å; D316-Q320 WeakPolarHBondContact O-CG 3.39Å; D316-Q320 PolarHBondContact O-N 2.91Å; D316-Q320 PolarHBondContact O-NE2 3Å |
| 317 | E | 44.3 | Very low | 39.5 | Very low | 83 Ų | 83 | 56.8 Ų | 56.8 | 39% | 0.388 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -68.9 | -44.5 | 160.3 | -74.3 | -148.4 | 151.1 | 0 | 0 | 111.7 | R313 I314 K319 Q320 H321 | R313-E317 PolarHBondContact O-N 3.26Å; I314-E317 PolarHBondContact O-N 3.28Å; E317-K319 VanDerWaalsContact C-N 3.34Å; E317-K319 PolarHBondContact O-N 3.19Å; E317-Q320 WeakPolarHBondContact O-CB 3.36Å; E317-Q320 PolarHBondContact O-N 3.17Å; E317-H321 PolarHBondContact O-N 3.28Å; E317-H321 VanDerWaalsContact O-N 3.16Å |
| 318 | L | 40.7 | Very low | 39.3 | Very low | 25 Ų | 25 | 57.6 Ų | 57.6 | 13% | 0.131 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.1 | -41 | 177.3 | -75.8 | -179.5 | 0 | 0 | 0 | 111.8 | L106 L112 I314 Q320 H321 G322 V323 V325 | L106-L318 HydrophobicContact CD2-CD2 4.27Å; L112-L318 HydrophobicContact CD1-CD2 3.76Å; L112-L318 HydrophobicContact CD1-CG 4.44Å; I314-L318 HydrophobicContact CG2-CD1 3.55Å; I314-L318 HydrophobicContact CG2-CG 4.07Å; I314-L318 VanDerWaalsContact O-CB 3.24Å; I314-L318 WeakPolarHBondContact O-CB 3.43Å; I314-L318 VanDerWaalsContact O-CG 3.29Å; I314-L318 WeakPolarHBondContact O-CG 3.37Å; I314-L318 PolarHBondContact O-N 3.47Å; L318-Q320 VanDerWaalsContact C-N 3.33Å; L318-Q320 PolarHBondContact O-N 3.28Å; L318-H321 CarbonylContact O-C 3.59Å; L318-H321 WeakPolarHBondContact O-CA 3.23Å; L318-H321 PolarHBondContact O-N 3.35Å; L318-G322 PolarHBondContact O-N 2.87Å; L318-G322 VanDerWaalsContact O-N 3.08Å; L318-V323 CarbonylContact C-O 3.53Å; L318-V323 HydrophobicContact CB-CB 3.97Å; L318-V323 HydrophobicContact CB-CG1 4.2Å; L318-V323 HydrophobicContact CD1-CG1 4.28Å; L318-V323 HydrophobicContact CD2-CB 4.17Å; L318-V323 HydrophobicContact CD2-CG1 4.22Å; L318-V323 HydrophobicContact CD2-CG2 4.45Å; L318-V323 HydrophobicContact CG-CG1 4.48Å; L318-V323 PolarHBondContact O-N 3.24Å; L318-V325 HydrophobicContact CB-CG2 4.44Å; L318-V325 HydrophobicContact CD1-CG2 3.72Å |
| 319 | K | 42.3 | Very low | 39.1 | Very low | 90 Ų | 90 | 65.1 Ų | 65.1 | 39% | 0.391 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.6 | -35.8 | 172.1 | -77.4 | 162.6 | -162.3 | 166.8 | 0 | 112.9 | G33 N34 C315 D316 E317 H321 G322 | G33-K319 PolarHBondContact O-NZ 2.75Å; G33-K319 VanDerWaalsContact O-NZ 3.14Å; N34-K319 PolarHBondContact O-NZ 3.15Å; C315-K319 VanDerWaalsContact O-CB 3.32Å; C315-K319 WeakPolarHBondContact O-CB 3.32Å; C315-K319 VanDerWaalsContact O-CD 3.3Å; C315-K319 WeakPolarHBondContact O-CD 3.24Å; C315-K319 WeakPolarHBondContact O-CG 3.46Å; C315-K319 PolarHBondContact O-N 2.89Å; D316-K319 WeakPolarHBondContact OD1-CD 3.41Å; D316-K319 WeakPolarHBondContact OD1-CE 3.45Å; D316-K319 IonicContact OD1-NZ 2.76Å; D316-K319 PolarHBondContact OD1-NZ 2.8Å; E317-K319 VanDerWaalsContact C-N 3.34Å; E317-K319 PolarHBondContact O-N 3.19Å; K319-H321 PolarHBondContact O-N 3.01Å; K319-G322 PolarHBondContact O-N 2.87Å; K319-G322 VanDerWaalsContact O-N 3.09Å |
| 320 | Q | 45.1 | Very low | 38.7 | Very low | 152 Ų | 152 | 68.4 Ų | 68.4 | 71% | 0.71 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -65.8 | -26.1 | 174.5 | -74.9 | 167.8 | 83.8 | 0 | 0 | 111.9 | D316 E317 L318 | D316-Q320 WeakPolarHBondContact O-CG 3.39Å; D316-Q320 PolarHBondContact O-N 2.91Å; D316-Q320 PolarHBondContact O-NE2 3Å; E317-Q320 WeakPolarHBondContact O-CB 3.36Å; E317-Q320 PolarHBondContact O-N 3.17Å; L318-Q320 VanDerWaalsContact C-N 3.33Å; L318-Q320 PolarHBondContact O-N 3.28Å |
| 321 | H | 42.7 | Very low | 38 | Very low | 80 Ų | 80 | 71.6 Ų | 71.6 | 37% | 0.37 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | 24.4 | 170.8 | -69.6 | -52.8 | 0 | 0 | 0 | 113.5 | K134 E317 L318 K319 V323 | K134-H321 PolarHBondContact NZ-CE1 3.25Å; K134-H321 PolarHBondContact NZ-NE2 3.19Å; E317-H321 PolarHBondContact O-N 3.28Å; E317-H321 VanDerWaalsContact O-N 3.16Å; L318-H321 CarbonylContact O-C 3.59Å; L318-H321 WeakPolarHBondContact O-CA 3.23Å; L318-H321 PolarHBondContact O-N 3.35Å; K319-H321 PolarHBondContact O-N 3.01Å; H321-V323 VanDerWaalsContact C-N 3.26Å; H321-V323 PolarHBondContact O-N 3.48Å |
| 322 | G | 32.2 | Very low | 37.2 | Very low | 63 Ų | 63 | 73.1 Ų | 73.1 | 65% | 0.649 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.8 | -3.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | L318 K319 | L318-G322 PolarHBondContact O-N 2.87Å; L318-G322 VanDerWaalsContact O-N 3.08Å; K319-G322 PolarHBondContact O-N 2.87Å; K319-G322 VanDerWaalsContact O-N 3.09Å |
| 323 | V | 32 | Very low | 36.3 | Very low | 30 Ų | 30 | 74.7 Ų | 74.7 | 18% | 0.182 | 40% | 0.396 | C | S | . | . | trans | -83.7 | 125 | -175 | 174.9 | 0 | 0 | 0 | 0 | 111.4 | L318 H321 | L318-V323 CarbonylContact C-O 3.53Å; L318-V323 HydrophobicContact CB-CB 3.97Å; L318-V323 HydrophobicContact CB-CG1 4.2Å; L318-V323 HydrophobicContact CD1-CG1 4.28Å; L318-V323 HydrophobicContact CD2-CB 4.17Å; L318-V323 HydrophobicContact CD2-CG1 4.22Å; L318-V323 HydrophobicContact CD2-CG2 4.45Å; L318-V323 HydrophobicContact CG-CG1 4.48Å; L318-V323 PolarHBondContact O-N 3.24Å; H321-V323 VanDerWaalsContact C-N 3.26Å; H321-V323 PolarHBondContact O-N 3.48Å | ||
| 324 | V | 31 | Very low | 35.4 | Very low | 84 Ų | 84 | 76.6 Ų | 76.6 | 51% | 0.509 | 41% | 0.412 | S | S | . | . | trans | -101.5 | 115.1 | -177 | -177.1 | 0 | 0 | 0 | 0 | 111.3 | L326 | V324-L326 HydrophobicContact CG1-CG 4.36Š| ||
| 325 | V | 34.8 | Very low | 34.8 | Very low | 48 Ų | 48 | 80.2 Ų | 80.2 | 29% | 0.291 | 43% | 0.428 | S | S | . | . | trans | -93.7 | 107.9 | -177.6 | -175.9 | 0 | 0 | 0 | 0 | 111.6 | C315 L318 S327 | C315-V325 HydrophobicContact CB-CG2 4.5Å; L318-V325 HydrophobicContact CB-CG2 4.44Å; L318-V325 HydrophobicContact CD1-CG2 3.72Å; V325-S327 PolarHBondContact O-N 3.27Å | ||
| 326 | L | 29.1 | Very low | 34.2 | Very low | 108 Ų | 108 | 86.1 Ų | 86.1 | 57% | 0.565 | 46% | 0.459 | S | S | * | . | trans | -97.5 | 93.6 | -176.6 | -75.5 | 169.2 | 0 | 0 | 0 | 113.3 | V324 I352 | V324-L326 HydrophobicContact CG1-CG 4.36Å; L326-I352 HydrophobicContact CD1-CD1 3.97Å | ||
| 327 | S | 32.7 | Very low | 33.7 | Very low | 93 Ų | 93 | 89 Ų | 89 | 65% | 0.65 | 47% | 0.474 | S | S | * | . | trans | 71.1 | 172.9 | 166.8 | -154 | 0 | 0 | 0 | 0 | 117.1 | R311 V325 | R311-S327 VanDerWaalsContact NH2-C 3.32Å; V325-S327 PolarHBondContact O-N 3.27Å | ||
| 328 | F | 33.3 | Very low | 33.9 | Very low | 83 Ų | 83 | 88.3 Ų | 88.3 | 36% | 0.364 | 49% | 0.489 | S | S | . | . | trans | -155.6 | 131.4 | 177.2 | 177.2 | -91.3 | 0 | 0 | 0 | 107.4 | L330 V347 | F328-L330 HydrophobicContact CE1-CB 4.42Å; F328-V347 HydrophobicContact CE2-CG1 4.45Å | ||
| 329 | K | 28.5 | Very low | 33.5 | Very low | 165 Ų | 165 | 96 Ų | 96 | 72% | 0.717 | 53% | 0.53 | S | S | * | . | trans | -135.8 | 125.6 | 177 | -100.6 | -177.1 | 174.9 | 177.9 | 0 | 109.9 | ||||
| 330 | L | 29.9 | Very low | 32.8 | Very low | 78 Ų | 78 | 94.9 Ų | 94.9 | 41% | 0.408 | 53% | 0.53 | S | S | . | . | trans | -96.9 | 126.2 | 167.5 | -179.1 | 61.4 | 0 | 0 | 0 | 108.4 | W300 F328 | W300-L330 HydrophobicContact CH2-CD2 3.61Å; W300-L330 HydrophobicContact CZ3-CD2 3.99Å; F328-L330 HydrophobicContact CE1-CB 4.42Å | ||
| 331 | I | 29.5 | Very low | 31.9 | Very low | 107 Ų | 107 | 92.2 Ų | 92.2 | 55% | 0.549 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 124.8 | 173.2 | -58.6 | 179.8 | 0 | 0 | 0 | 107.4 | ||
| 332 | I | 26.4 | Very low | 31.2 | Very low | 104 Ų | 104 | 90.5 Ų | 90.5 | 53% | 0.533 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 121.9 | 175.6 | -59.6 | 173.8 | 0 | 0 | 0 | 107.6 | W300 | W300-I332 HydrophobicContact CH2-CD1 4Å; W300-I332 HydrophobicContact CZ2-CD1 4.26Å |
| 333 | A | 28.3 | Very low | 31.1 | Very low | 34 Ų | 34 | 93.8 Ų | 93.8 | 28% | 0.281 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 134 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | Y346 | A333-Y346 HydrophobicContact CB-CE2 4.45Å |
| 334 | L | 26.2 | Very low | 31.2 | Very low | 121 Ų | 121 | 94.4 Ų | 94.4 | 63% | 0.634 | 51% | 0.511 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 112.4 | 171.4 | -76.2 | 169.4 | 0 | 0 | 0 | 108.7 | F343 | L334-F343 HydrophobicContact CD2-CE1 4.33Å |
| 335 | Q | 33.2 | Very low | 31.2 | Very low | 104 Ų | 104 | 91.6 Ų | 91.6 | 49% | 0.486 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 121.5 | 176.8 | -165.8 | 90.1 | -12.3 | 0 | 0 | 109.1 | Q342 I344 | Q335-Q342 PolarHBondContact O-N 3.17Å; Q335-I344 HydrophobicContact CB-CD1 4.38Å |
| 336 | L | 29.1 | Very low | 31 | Very low | 130 Ų | 130 | 93.5 Ų | 93.5 | 68% | 0.681 | 50% | 0.501 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 103.3 | 173.4 | -89.9 | 166.8 | 0 | 0 | 0 | 110 | L341 | L336-L341 HydrophobicContact CD2-CD1 3.84Å; L336-L341 HydrophobicContact CG-CD1 4.43Å |
| 337 | N | 36 | Very low | 31.1 | Very low | 87 Ų | 87 | 90.3 Ų | 90.3 | 47% | 0.465 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 88.6 | 172.8 | -77.8 | -32.9 | 0 | 0 | 0 | 109 | L339 V340 Q342 | N337-L339 PolarHBondContact O-N 2.89Å; N337-V340 PolarHBondContact N-O 3.23Å; N337-V340 PolarHBondContact O-N 2.96Å; N337-Q342 PolarHBondContact ND2-OE1 3.15Å |
| 338 | G | 49.7 | Very low | 30.9 | Very low | 68 Ų | 68 | 88.2 Ų | 88.2 | 70% | 0.701 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.1 | -129.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | V340 | G338-V340 VanDerWaalsContact C-N 3.32Š|
| 339 | L | 31.4 | Very low | 31.1 | Very low | 188 Ų | 188 | 89.5 Ų | 89.5 | 98% | 0.984 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | 1.9 | 176.9 | -75.1 | 168.6 | 0 | 0 | 0 | 113.7 | N337 | N337-L339 PolarHBondContact O-N 2.89Š|
| 340 | V | 27 | Very low | 31.4 | Very low | 65 Ų | 65 | 85.6 Ų | 85.6 | 39% | 0.394 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 121.9 | -179.4 | -173.4 | 0 | 0 | 0 | 0 | 109.9 | N337 G338 Q342 | N337-V340 PolarHBondContact N-O 3.23Å; N337-V340 PolarHBondContact O-N 2.96Å; G338-V340 VanDerWaalsContact C-N 3.32Å; V340-Q342 HydrophobicContact CG1-CG 3.98Å; V340-Q342 PolarHBondContact O-N 3.17Å |
| 341 | L | 27.7 | Very low | 31.6 | Very low | 97 Ų | 97 | 85.8 Ų | 85.8 | 51% | 0.508 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 110.6 | 165.8 | -147 | 86.7 | 0 | 0 | 0 | 108 | L336 F343 | L336-L341 HydrophobicContact CD2-CD1 3.84Å; L336-L341 HydrophobicContact CG-CD1 4.43Å; L341-F343 HydrophobicContact CD2-CE2 4.14Å; L341-F343 HydrophobicContact CD2-CZ 4.28Å |
| 342 | Q | 28.1 | Very low | 31.8 | Very low | 43 Ų | 43 | 82.8 Ų | 82.8 | 20% | 0.201 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 127 | 172.1 | -72.3 | -176.1 | -67.4 | 0 | 0 | 109.9 | Q335 N337 V340 | Q335-Q342 PolarHBondContact O-N 3.17Å; N337-Q342 PolarHBondContact ND2-OE1 3.15Å; V340-Q342 HydrophobicContact CG1-CG 3.98Å; V340-Q342 PolarHBondContact O-N 3.17Å |
| 343 | F | 28.8 | Very low | 32.1 | Very low | 132 Ų | 132 | 80.9 Ų | 80.9 | 58% | 0.579 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 121.8 | 163.8 | -73.7 | -87.5 | 0 | 0 | 0 | 108.2 | L334 L341 | L334-F343 HydrophobicContact CD2-CE1 4.33Å; L341-F343 HydrophobicContact CD2-CE2 4.14Å; L341-F343 HydrophobicContact CD2-CZ 4.28Å |
| 344 | I | 35.4 | Very low | 32.2 | Very low | 44 Ų | 44 | 87.2 Ų | 87.2 | 23% | 0.226 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 104.3 | 170.1 | -52.4 | 178.8 | 0 | 0 | 0 | 106.9 | Q335 Y346 | Q335-I344 HydrophobicContact CB-CD1 4.38Å; I344-Y346 HydrophobicContact CB-CE2 4.31Å; I344-Y346 HydrophobicContact CG2-CD2 4.22Å; I344-Y346 HydrophobicContact CG2-CE1 4.22Å; I344-Y346 HydrophobicContact CG2-CE2 3.56Å |
| 345 | G | 29.4 | Very low | 32.8 | Very low | 25 Ų | 25 | 85.4 Ų | 85.4 | 26% | 0.258 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 128.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 346 | Y | 32.1 | Very low | 32.9 | Very low | 87 Ų | 87 | 82.8 Ų | 82.8 | 34% | 0.341 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 131.7 | 176.5 | -60.3 | -94.9 | 0 | 0 | 0 | 109.9 | A333 I344 | A333-Y346 HydrophobicContact CB-CE2 4.45Å; I344-Y346 HydrophobicContact CB-CE2 4.31Å; I344-Y346 HydrophobicContact CG2-CD2 4.22Å; I344-Y346 HydrophobicContact CG2-CE1 4.22Å; I344-Y346 HydrophobicContact CG2-CE2 3.56Å |
| 347 | V | 30.7 | Very low | 33 | Very low | 41 Ų | 41 | 86.1 Ų | 86.1 | 25% | 0.248 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 123.9 | 164.2 | -175.8 | 0 | 0 | 0 | 0 | 108.1 | F328 W349 F366 | F328-V347 HydrophobicContact CE2-CG1 4.45Å; V347-W349 HydrophobicContact CG1-CE3 4.33Å; V347-F366 HydrophobicContact CB-CB 4.23Å; V347-F366 PolarHBondContact N-O 3.14Å; V347-F366 VanDerWaalsContact O-CB 3.28Å; V347-F366 WeakPolarHBondContact O-CB 3.4Å; V347-F366 PolarHBondContact O-N 3.47Å |
| 348 | S | 29.5 | Very low | 32.6 | Very low | 49 Ų | 49 | 87 Ų | 87 | 34% | 0.343 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 142.7 | 168.1 | -65.5 | 0 | 0 | 0 | 0 | 108.9 | S364 T365 | S348-S364 VanDerWaalsContact CA-O 3.26Å; S348-S364 WeakPolarHBondContact CA-O 3.17Å; S348-T365 PolarHBondContact OG-OG1 3.41Å |
| 349 | W | 37.6 | Very low | 31.7 | Very low | 111 Ų | 111 | 87.9 Ų | 87.9 | 42% | 0.42 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 158.1 | 169.4 | 67 | 90.2 | 0 | 0 | 0 | 111 | V347 S364 F366 | V347-W349 HydrophobicContact CG1-CE3 4.33Å; W349-S364 PolarHBondContact N-O 3.46Å; W349-S364 VanDerWaalsContact N-O 3.09Å; W349-S364 PolarHBondContact O-N 3.28Å; W349-F366 HydrophobicContact CH2-CD2 4.21Å; W349-F366 HydrophobicContact CZ3-CD2 4.13Å |
| 350 | F | 34.6 | Very low | 31.7 | Very low | 83 Ų | 83 | 83.4 Ų | 83.4 | 36% | 0.364 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 135.8 | 176.1 | -56.6 | -94.9 | 0 | 0 | 0 | 107.5 | H362 L363 | F350-H362 WeakPolarHBondContact CA-O 3.39Å; F350-L363 HydrophobicContact CD1-CD1 4.31Å; F350-L363 HydrophobicContact CE1-CB 4.47Å; F350-L363 HydrophobicContact CE1-CD1 3.58Å; F350-L363 HydrophobicContact CZ-CD1 3.82Å |
| 351 | Y | 34.2 | Very low | 31.8 | Very low | 81 Ų | 81 | 84.7 Ų | 84.7 | 32% | 0.318 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 153.8 | 156.4 | 66.5 | -93.1 | 0 | 0 | 0 | 109.2 | H362 | Y351-H362 HydrophobicContact CD1-CB 3.92Å; Y351-H362 HydrophobicContact CD2-CB 4.23Å; Y351-H362 HydrophobicContact CE1-CB 3.52Å; Y351-H362 HydrophobicContact CE2-CB 3.85Å; Y351-H362 AromaticContact CE2-CD2 3.63Å; Y351-H362 AromaticContact CE2-CG 3.62Å; Y351-H362 HydrophobicContact CG-CB 4.26Å; Y351-H362 VanDerWaalsContact CZ-CB 3.48Å; Y351-H362 AromaticContact CZ-CD2 3.93Å; Y351-H362 AromaticContact CZ-CG 3.42Å; Y351-H362 VanDerWaalsContact CZ-CG 3.42Å; Y351-H362 AromaticContact CZ-ND1 3.8Å; Y351-H362 PolarHBondContact O-N 3.21Å; Y351-H362 VanDerWaalsContact O-N 3.14Å; Y351-H362 PolarHBondContact OH-ND1 3.43Å |
| 352 | I | 31.9 | Very low | 32.1 | Very low | 45 Ų | 45 | 82.7 Ų | 82.7 | 23% | 0.231 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 121.1 | 173.1 | -70.3 | 169.1 | 0 | 0 | 0 | 106.8 | L326 V359 Q360 L361 | L326-I352 HydrophobicContact CD1-CD1 3.97Å; I352-V359 HydrophobicContact CG2-CG1 3.77Å; I352-Q360 WeakPolarHBondContact CA-O 3.37Å; I352-L361 HydrophobicContact CD1-CD2 4.25Å; I352-L361 HydrophobicContact CG1-CD2 3.66Å; I352-L361 HydrophobicContact CG1-CG 4.35Å |
| 353 | E | 33.5 | Very low | 32.2 | Very low | 63 Ų | 63 | 84.4 Ų | 84.4 | 29% | 0.294 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 126.2 | 165 | -165 | 177.5 | 136.1 | 0 | 0 | 108.2 | N355 Q360 | E353-N355 PolarHBondContact OE1-ND2 3.44Å; E353-N355 PolarHBondContact OE1-OD1 2.65Å; E353-Q360 HydrophobicContact CB-CB 4.47Å; E353-Q360 PolarHBondContact N-O 3.2Å; E353-Q360 PolarHBondContact O-N 3.37Å |
| 354 | W | 30.6 | Very low | 32.3 | Very low | 168 Ų | 168 | 79.2 Ų | 79.2 | 64% | 0.636 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 117.4 | 174.9 | 178.7 | 54.2 | 0 | 0 | 0 | 109.1 | Q107 G356 | Q107-W354 PolarHBondContact NE2-O 3.3Å; W354-G356 PolarHBondContact NE1-O 3.46Å |
| 355 | N | 39 | Very low | 32 | Very low | 82 Ų | 82 | 79.2 Ų | 79.2 | 44% | 0.439 | 40% | 0.402 | S | S | . | . | trans | -112.4 | 39.9 | -176.9 | -74.3 | -35.2 | 0 | 0 | 0 | 111.3 | Q107 E353 E357 D358 | Q107-N355 PolarHBondContact NE2-OD1 3.27Å; E353-N355 PolarHBondContact OE1-ND2 3.44Å; E353-N355 PolarHBondContact OE1-OD1 2.65Å; N355-E357 PolarHBondContact O-N 3.16Å; N355-D358 PolarHBondContact N-O 3.02Å | ||
| 356 | G | 34.1 | Very low | 32.4 | Very low | 50 Ų | 50 | 79.2 Ų | 79.2 | 52% | 0.515 | 40% | 0.395 | S | S | . | . | S | Bend | trans | 76.7 | -55.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | W354 | W354-G356 PolarHBondContact NE1-O 3.46Š|
| 357 | E | 32.6 | Very low | 32.3 | Very low | 199 Ų | 199 | 79.2 Ų | 79.2 | 93% | 0.93 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -98 | -30.8 | -176.8 | -61.1 | -174.1 | 151.4 | 0 | 0 | 113.2 | N355 | N355-E357 PolarHBondContact O-N 3.16Š|
| 358 | D | 27.9 | Very low | 32.4 | Very low | 106 Ų | 106 | 80.1 Ų | 80.1 | 57% | 0.567 | 40% | 0.401 | S | S | * | . | trans | -125.5 | 156.6 | -172 | -120.6 | -29.1 | 0 | 0 | 0 | 113.4 | N355 | N355-D358 PolarHBondContact N-O 3.02Š| ||
| 359 | V | 29.8 | Very low | 32.3 | Very low | 87 Ų | 87 | 82.5 Ų | 82.5 | 53% | 0.527 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 102.1 | -179.8 | 174.3 | 0 | 0 | 0 | 0 | 108.8 | I352 | I352-V359 HydrophobicContact CG2-CG1 3.77Å |
| 360 | Q | 31.4 | Very low | 31.9 | Very low | 93 Ų | 93 | 81.4 Ų | 81.4 | 44% | 0.435 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 124.3 | 178.8 | -60.9 | -158.1 | 10.6 | 0 | 0 | 111.5 | I352 E353 | I352-Q360 WeakPolarHBondContact CA-O 3.37Å; E353-Q360 HydrophobicContact CB-CB 4.47Å; E353-Q360 PolarHBondContact N-O 3.2Å; E353-Q360 PolarHBondContact O-N 3.37Å |
| 361 | L | 30.1 | Very low | 31.5 | Very low | 93 Ų | 93 | 81.3 Ų | 81.3 | 49% | 0.487 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 108.2 | 176.8 | -89.3 | 165.6 | 0 | 0 | 0 | 110.2 | I352 | I352-L361 HydrophobicContact CD1-CD2 4.25Å; I352-L361 HydrophobicContact CG1-CD2 3.66Å; I352-L361 HydrophobicContact CG1-CG 4.35Å |
| 362 | H | 33.3 | Very low | 31.1 | Very low | 55 Ų | 55 | 84.6 Ų | 84.6 | 26% | 0.255 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 107.8 | 179 | -71.9 | -105 | 0 | 0 | 0 | 110.6 | F350 Y351 | F350-H362 WeakPolarHBondContact CA-O 3.39Å; Y351-H362 HydrophobicContact CD1-CB 3.92Å; Y351-H362 HydrophobicContact CD2-CB 4.23Å; Y351-H362 HydrophobicContact CE1-CB 3.52Å; Y351-H362 HydrophobicContact CE2-CB 3.85Å; Y351-H362 AromaticContact CE2-CD2 3.63Å; Y351-H362 AromaticContact CE2-CG 3.62Å; Y351-H362 HydrophobicContact CG-CB 4.26Å; Y351-H362 VanDerWaalsContact CZ-CB 3.48Å; Y351-H362 AromaticContact CZ-CD2 3.93Å; Y351-H362 AromaticContact CZ-CG 3.42Å; Y351-H362 VanDerWaalsContact CZ-CG 3.42Å; Y351-H362 AromaticContact CZ-ND1 3.8Å; Y351-H362 PolarHBondContact O-N 3.21Å; Y351-H362 VanDerWaalsContact O-N 3.14Å; Y351-H362 PolarHBondContact OH-ND1 3.43Å |
| 363 | L | 30.4 | Very low | 30.7 | Very low | 79 Ų | 79 | 87.3 Ų | 87.3 | 41% | 0.414 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 120.4 | 171.8 | 173.9 | 65.5 | 0 | 0 | 0 | 110.4 | H202 F350 | H202-L363 PolarHBondContact NE2-O 3.3Å; F350-L363 HydrophobicContact CD1-CD1 4.31Å; F350-L363 HydrophobicContact CE1-CB 4.47Å; F350-L363 HydrophobicContact CE1-CD1 3.58Å; F350-L363 HydrophobicContact CZ-CD1 3.82Å |
| 364 | S | 31 | Very low | 30.4 | Very low | 23 Ų | 23 | 92.2 Ų | 92.2 | 16% | 0.161 | 49% | 0.488 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 129 | 165.9 | -73.9 | 0 | 0 | 0 | 0 | 110.1 | H202 S348 W349 | H202-S364 PolarHBondContact NE2-OG 3.23Å; S348-S364 VanDerWaalsContact CA-O 3.26Å; S348-S364 WeakPolarHBondContact CA-O 3.17Å; W349-S364 PolarHBondContact N-O 3.46Å; W349-S364 VanDerWaalsContact N-O 3.09Å; W349-S364 PolarHBondContact O-N 3.28Å |
| 365 | T | 28.2 | Very low | 30 | Very low | 43 Ų | 43 | 96 Ų | 96 | 26% | 0.264 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 135.7 | -178.7 | -62 | 0 | 0 | 0 | 0 | 109 | I198 S348 | I198-T365 WeakPolarHBondContact CG2-O 3.21Å; S348-T365 PolarHBondContact OG-OG1 3.41Å |
| 366 | F | 37.7 | Very low | 29.4 | Very low | 26 Ų | 26 | 100.1 Ų | 100.1 | 11% | 0.114 | 52% | 0.517 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 116.8 | -172.8 | -157.1 | -61.9 | 0 | 0 | 0 | 109.8 | I198 V347 W349 I368 | I198-F366 HydrophobicContact CB-CB 4.21Å; I198-F366 HydrophobicContact CB-CD1 3.84Å; I198-F366 HydrophobicContact CB-CD2 2.75Å; I198-F366 HydrophobicContact CB-CE1 3.87Å; I198-F366 HydrophobicContact CB-CE2 2.8Å; I198-F366 HydrophobicContact CB-CG 3.31Å; I198-F366 HydrophobicContact CB-CZ 3.4Å; I198-F366 HydrophobicContact CD1-CB 3.63Å; I198-F366 HydrophobicContact CD1-CD1 2.3Å; I198-F366 HydrophobicContact CD1-CD2 2.29Å; I198-F366 HydrophobicContact CD1-CE1 2.3Å; I198-F366 HydrophobicContact CD1-CE2 2.3Å; I198-F366 HydrophobicContact CD1-CG 2.31Å; I198-F366 HydrophobicContact CD1-CZ 2.31Å; I198-F366 HydrophobicContact CG1-CB 3.53Å; I198-F366 HydrophobicContact CG1-CD1 2.32Å; I198-F366 HydrophobicContact CG1-CD2 2.31Å; I198-F366 HydrophobicContact CG1-CE1 2.32Å; I198-F366 HydrophobicContact CG1-CE2 2.31Å; I198-F366 HydrophobicContact CG1-CG 2.3Å; I198-F366 HydrophobicContact CG1-CZ 2.31Å; I198-F366 HydrophobicContact CG2-CB 3.71Å; I198-F366 HydrophobicContact CG2-CD1 4.38Å; I198-F366 HydrophobicContact CG2-CD2 3.02Å; I198-F366 HydrophobicContact CG2-CE2 3.8Å; I198-F366 HydrophobicContact CG2-CG 3.38Å; V347-F366 HydrophobicContact CB-CB 4.23Å; V347-F366 PolarHBondContact N-O 3.14Å; V347-F366 VanDerWaalsContact O-CB 3.28Å; V347-F366 WeakPolarHBondContact O-CB 3.4Å; V347-F366 PolarHBondContact O-N 3.47Å; W349-F366 HydrophobicContact CH2-CD2 4.21Å; W349-F366 HydrophobicContact CZ3-CD2 4.13Å; F366-I368 HydrophobicContact CD1-CD1 4.27Å; F366-I368 HydrophobicContact CD1-CG1 3.61Å; F366-I368 HydrophobicContact CE1-CD1 4.27Å; F366-I368 HydrophobicContact CE1-CG1 3.76Å |
| 367 | H | 31.2 | Very low | 29 | Very low | 87 Ų | 87 | 111.1 Ų | 111.1 | 40% | 0.403 | 55% | 0.551 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.6 | 141.4 | 171.7 | -55.6 | -97.1 | 0 | 0 | 0 | 110.3 | E201 | E201-H367 WeakPolarHBondContact OE2-CB 3.2Å; E201-H367 IonicContact OE2-CD2 3.87Å; E201-H367 IonicContact OE2-CG 3.55Å; E201-H367 PolarHBondContact OE2-N 3.32Å |
| 368 | I | 31.5 | Very low | 28.8 | Very low | 60 Ų | 60 | 106.8 Ų | 106.8 | 31% | 0.308 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 114.7 | 167.6 | -56.4 | -176.5 | 0 | 0 | 0 | 107.9 | F366 E370 | F366-I368 HydrophobicContact CD1-CD1 4.27Å; F366-I368 HydrophobicContact CD1-CG1 3.61Å; F366-I368 HydrophobicContact CE1-CD1 4.27Å; F366-I368 HydrophobicContact CE1-CG1 3.76Å; I368-E370 HydrophobicContact CG2-CG 4.4Å |
| 369 | V | 28.8 | Very low | 28.8 | Very low | 98 Ų | 98 | 106.8 Ų | 106.8 | 59% | 0.594 | 53% | 0.53 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 87.2 | 175.1 | -174.7 | 0 | 0 | 0 | 0 | 109.2 | ||
| 370 | E | 28.5 | Very low | 28.8 | Very low | 89 Ų | 89 | 107.9 Ų | 107.9 | 42% | 0.416 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 109.2 | 167.3 | -78.5 | -170.6 | -168.6 | 0 | 0 | 110.1 | R118 I368 | R118-E370 IonicContact NH2-OE1 3.3Å; R118-E370 PolarHBondContact NH2-OE1 3.09Å; I368-E370 HydrophobicContact CG2-CG 4.4Å |
| 371 | S | 25.6 | Very low | 28.6 | Very low | 81 Ų | 81 | 108.8 Ų | 108.8 | 57% | 0.566 | 54% | 0.535 | S | S | * | . | trans | -98.8 | 96 | 178.4 | -71.5 | 0 | 0 | 0 | 0 | 111.6 | A373 | S371-A373 PolarHBondContact O-N 3.16Å; S371-A373 VanDerWaalsContact O-N 3.14Å | ||
| 372 | F | 25.8 | Very low | 28.5 | Very low | 149 Ų | 149 | 109.8 Ų | 109.8 | 65% | 0.654 | 54% | 0.538 | S | S | * | . | trans | -79.1 | 92.3 | 177.3 | -93.4 | -87.2 | 0 | 0 | 0 | 112.8 | K374 | F372-K374 VanDerWaalsContact C-N 3.29Å; F372-K374 PolarHBondContact O-N 3.31Å | ||
| 373 | A | 23.8 | Very low | 28.2 | Very low | 103 Ų | 103 | 113.4 Ų | 113.4 | 85% | 0.851 | 56% | 0.557 | S | S | * | * | trans | -73.5 | 72.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | S371 R375 | S371-A373 PolarHBondContact O-N 3.16Å; S371-A373 VanDerWaalsContact O-N 3.14Å; A373-R375 PolarHBondContact O-N 3.17Å | ||
| 374 | K | 27.1 | Very low | 28.1 | Very low | 165 Ų | 165 | 115.9 Ų | 115.9 | 72% | 0.717 | 57% | 0.568 | S | S | * | * | trans | -77 | 100 | 170.3 | -104.5 | -171.8 | 178.2 | 179.2 | 0 | 110.9 | F372 F376 | F372-K374 VanDerWaalsContact C-N 3.29Å; F372-K374 PolarHBondContact O-N 3.31Å; K374-F376 VanDerWaalsContact C-N 3.34Å; K374-F376 HydrophobicContact CB-CD2 4.34Å; K374-F376 HydrophobicContact CB-CE2 4.25Å; K374-F376 HydrophobicContact CD-CE2 4.03Å; K374-F376 PolarHBondContact O-N 2.9Å | ||
| 375 | R | 22.3 | Very low | 27.8 | Very low | 247 Ų | 247 | 123 Ų | 123 | 93% | 0.932 | 60% | 0.599 | S | S | * | * | trans | -72.9 | 84.6 | 169.8 | -164.4 | 179.8 | -163.7 | 171.7 | 5.9 | 110.3 | A373 | A373-R375 PolarHBondContact O-N 3.17Š| ||
| 376 | F | 25.7 | Very low | 27.8 | Very low | 169 Ų | 169 | 129.7 Ų | 129.7 | 74% | 0.741 | 63% | 0.627 | S | S | * | * | trans | -63.9 | 154 | 156 | -76.7 | -86.8 | 0 | 0 | 0 | 109.3 | K374 | K374-F376 VanDerWaalsContact C-N 3.34Å; K374-F376 HydrophobicContact CB-CD2 4.34Å; K374-F376 HydrophobicContact CB-CE2 4.25Å; K374-F376 HydrophobicContact CD-CE2 4.03Å; K374-F376 PolarHBondContact O-N 2.9Å | ||
| 377 | K | 26.1 | Very low | 26.9 | Very low | 282 Ų | 282 | 139.1 Ų | 139.1 | 100% | 1.226 | 67% | 0.673 | S | S | * | * | trans | -75.2 | 0 | 178.8 | -76.8 | -172.7 | 174.4 | -176.3 | 0 | 111.3 |
Retrieved 377 of 377 residues in 126.2 ms
(Link to these results)