| 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 | 37.5 | Very low | 64.6 | Low | 240 Ų | 240 | 135.7 Ų | 135.7 | 100% | 1.182 | 73% | 0.725 | S | S | * | * | 0 | 100.7 | 0 | -78.6 | 172.4 | 172.3 | 0 | 0 | 108.2 | L3 | M1-L3 PolarHBondContact O-N 2.87Š| |||
| 2 | T | 46 | Very low | 66.2 | Low | 141 Ų | 141 | 129 Ų | 129 | 87% | 0.865 | 70% | 0.703 | S | S | * | * | trans | -67 | 108.7 | 179 | 31.3 | 0 | 0 | 0 | 0 | 109.5 | C4 | T2-C4 VanDerWaalsContact C-N 3.31Å; T2-C4 PolarHBondContact O-N 3.2Å | ||
| 3 | L | 46.9 | Very low | 67.8 | Low | 169 Ų | 169 | 122.2 Ų | 122.2 | 89% | 0.885 | 68% | 0.681 | S | S | * | * | trans | -62.7 | 88 | 174.9 | -77.3 | 145.1 | 0 | 0 | 0 | 109.7 | M1 S5 | M1-L3 PolarHBondContact O-N 2.87Å; L3-S5 PolarHBondContact O-N 2.93Å | ||
| 4 | C | 53.8 | Low | 69.4 | Low | 123 Ų | 123 | 125.4 Ų | 125.4 | 83% | 0.831 | 69% | 0.685 | S | S | * | * | trans | -64.2 | 92.8 | 156.6 | -90.2 | 0 | 0 | 0 | 0 | 107 | T2 | T2-C4 VanDerWaalsContact C-N 3.31Å; T2-C4 PolarHBondContact O-N 3.2Å | ||
| 5 | S | 60.6 | Low | 70.9 | Confident | 52 Ų | 52 | 123.3 Ų | 123.3 | 36% | 0.364 | 67% | 0.671 | S | S | . | * | trans | -67.5 | 128.3 | -178.6 | 77.1 | 0 | 0 | 0 | 0 | 109.3 | L3 N7 R8 | L3-S5 PolarHBondContact O-N 2.93Å; S5-N7 PolarHBondContact O-N 2.99Å; S5-R8 PolarHBondContact O-N 2.98Å; S5-R8 VanDerWaalsContact O-N 3.15Å | ||
| 6 | P | 64.8 | Low | 71.9 | Confident | 97 Ų | 97 | 118.9 Ų | 118.9 | 63% | 0.63 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.2 | -16 | -178.1 | 18.9 | -30 | 0 | 0 | 0 | 113.4 | R8 L9 L10 | P6-R8 VanDerWaalsContact C-N 3.33Å; P6-R8 PolarHBondContact O-N 3.44Å; P6-L9 PolarHBondContact O-N 3.08Å; P6-L10 PolarHBondContact O-N 2.9Å |
| 7 | N | 76 | Confident | 72.9 | Confident | 103 Ų | 103 | 115.4 Ų | 115.4 | 55% | 0.551 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -63.1 | -31.6 | 176.2 | -75.8 | -13.8 | 0 | 0 | 0 | 113.9 | S5 L9 L10 I11 | S5-N7 PolarHBondContact O-N 2.99Å; N7-L9 PolarHBondContact O-N 3.15Å; N7-L10 PolarHBondContact O-N 3.38Å; N7-I11 WeakPolarHBondContact O-CB 3.38Å; N7-I11 WeakPolarHBondContact O-CD1 3.46Å; N7-I11 WeakPolarHBondContact O-CG1 3.18Å; N7-I11 PolarHBondContact O-N 2.95Å |
| 8 | R | 77.8 | Confident | 73.9 | Confident | 201 Ų | 201 | 111.4 Ų | 111.4 | 76% | 0.758 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -66.4 | -39.3 | -178.6 | -72.8 | -170.4 | 177.2 | -169.5 | 0.1 | 112.6 | S5 P6 A12 | S5-R8 PolarHBondContact O-N 2.98Å; S5-R8 VanDerWaalsContact O-N 3.15Å; P6-R8 VanDerWaalsContact C-N 3.33Å; P6-R8 PolarHBondContact O-N 3.44Å; R8-A12 WeakPolarHBondContact O-CB 3.4Å; R8-A12 PolarHBondContact O-N 3.48Å |
| 9 | L | 80.6 | Confident | 74.8 | Confident | 144 Ų | 144 | 111.3 Ų | 111.3 | 75% | 0.754 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -68.3 | -41.8 | 178.1 | -85.1 | 156 | 0 | 0 | 0 | 111.6 | P6 N7 A12 G13 | P6-L9 PolarHBondContact O-N 3.08Å; N7-L9 PolarHBondContact O-N 3.15Å; L9-A12 PolarHBondContact O-N 3.32Å; L9-G13 PolarHBondContact O-N 3.42Å |
| 10 | L | 82.5 | Confident | 75.3 | Confident | 122 Ų | 122 | 109.8 Ų | 109.8 | 64% | 0.639 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -61.8 | -45.4 | 175 | -84.3 | 161.5 | 0 | 0 | 0 | 111.9 | P6 N7 G13 F14 | P6-L10 PolarHBondContact O-N 2.9Å; N7-L10 PolarHBondContact O-N 3.38Å; L10-G13 PolarHBondContact O-N 3.37Å; L10-F14 WeakPolarHBondContact O-CB 3.27Å; L10-F14 PolarHBondContact O-N 3.46Å |
| 11 | I | 84.1 | Confident | 75.9 | Confident | 101 Ų | 101 | 112.2 Ų | 112.2 | 52% | 0.518 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -62 | -45.3 | 177.1 | -67.7 | 164.2 | 0 | 0 | 0 | 110.5 | N7 G13 F14 I15 | N7-I11 WeakPolarHBondContact O-CB 3.38Å; N7-I11 WeakPolarHBondContact O-CD1 3.46Å; N7-I11 WeakPolarHBondContact O-CG1 3.18Å; N7-I11 PolarHBondContact O-N 2.95Å; I11-G13 VanDerWaalsContact C-N 3.35Å; I11-G13 PolarHBondContact O-N 3.36Å; I11-F14 PolarHBondContact O-N 3.28Å; I11-I15 HydrophobicContact CG2-CD1 3.72Å; I11-I15 HydrophobicContact CG2-CG1 4.4Å; I11-I15 VanDerWaalsContact O-CG1 3.27Å; I11-I15 WeakPolarHBondContact O-CG1 3.43Å; I11-I15 PolarHBondContact O-N 3.43Å |
| 12 | A | 84.5 | Confident | 78.3 | Confident | 55 Ų | 55 | 106.7 Ų | 106.7 | 46% | 0.455 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -61.6 | -41.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | R8 L9 I15 A16 | R8-A12 WeakPolarHBondContact O-CB 3.4Å; R8-A12 PolarHBondContact O-N 3.48Å; L9-A12 PolarHBondContact O-N 3.32Å; A12-I15 PolarHBondContact O-N 3.45Å; A12-A16 WeakPolarHBondContact O-CB 3.27Å; A12-A16 PolarHBondContact O-N 2.95Å |
| 13 | G | 86.6 | Confident | 79.9 | Confident | 41 Ų | 41 | 106.8 Ų | 106.8 | 42% | 0.423 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -62.3 | -43 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L9 L10 I11 A16 A17 | L9-G13 PolarHBondContact O-N 3.42Å; L10-G13 PolarHBondContact O-N 3.37Å; I11-G13 VanDerWaalsContact C-N 3.35Å; I11-G13 PolarHBondContact O-N 3.36Å; G13-A16 PolarHBondContact O-N 3.46Å; G13-A17 WeakPolarHBondContact O-CB 3.28Å; G13-A17 PolarHBondContact O-N 3.44Å |
| 14 | F | 90.6 | Very high | 81.5 | Confident | 167 Ų | 167 | 100.3 Ų | 100.3 | 73% | 0.732 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -65.9 | -40.7 | 177.9 | -145.3 | -84.5 | 0 | 0 | 0 | 111.9 | L10 I11 A17 A18 | L10-F14 WeakPolarHBondContact O-CB 3.27Å; L10-F14 PolarHBondContact O-N 3.46Å; I11-F14 PolarHBondContact O-N 3.28Å; F14-A17 PolarHBondContact O-N 2.85Å; F14-A18 WeakPolarHBondContact O-CB 3.49Å; F14-A18 PolarHBondContact O-N 2.93Å |
| 15 | I | 90.7 | Very high | 82.8 | Confident | 94 Ų | 94 | 97.6 Ų | 97.6 | 48% | 0.482 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.5 | -44.9 | 175 | -68.5 | 167.8 | 0 | 0 | 0 | 110.6 | I11 A12 A17 A18 I19 | I11-I15 HydrophobicContact CG2-CD1 3.72Å; I11-I15 HydrophobicContact CG2-CG1 4.4Å; I11-I15 VanDerWaalsContact O-CG1 3.27Å; I11-I15 WeakPolarHBondContact O-CG1 3.43Å; I11-I15 PolarHBondContact O-N 3.43Å; A12-I15 PolarHBondContact O-N 3.45Å; I15-A17 PolarHBondContact O-N 2.89Å; I15-A18 PolarHBondContact O-N 3.27Å; I15-I19 HydrophobicContact CG2-CD1 3.71Å; I15-I19 HydrophobicContact CG2-CG1 4.34Å; I15-I19 WeakPolarHBondContact O-CB 3.32Å; I15-I19 VanDerWaalsContact O-CG1 3.27Å; I15-I19 WeakPolarHBondContact O-CG1 3.5Å; I15-I19 PolarHBondContact O-N 2.92Å |
| 16 | A | 88.1 | Confident | 83.4 | Confident | 52 Ų | 52 | 102 Ų | 102 | 43% | 0.43 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.6 | -39.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | A12 G13 S20 | A12-A16 WeakPolarHBondContact O-CB 3.27Å; A12-A16 PolarHBondContact O-N 2.95Å; G13-A16 PolarHBondContact O-N 3.46Å; A16-S20 WeakPolarHBondContact O-CB 3.5Å; A16-S20 PolarHBondContact O-N 3.49Å; A16-S20 PolarHBondContact O-OG 2.76Å |
| 17 | A | 89 | Confident | 83.5 | Confident | 60 Ų | 60 | 103.5 Ų | 103.5 | 50% | 0.496 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.2 | -43.9 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | G13 F14 I15 S20 Y21 | G13-A17 WeakPolarHBondContact O-CB 3.28Å; G13-A17 PolarHBondContact O-N 3.44Å; F14-A17 PolarHBondContact O-N 2.85Å; I15-A17 PolarHBondContact O-N 2.89Å; A17-S20 PolarHBondContact O-N 3.36Å; A17-Y21 VanDerWaalsContact O-CB 3.31Å; A17-Y21 WeakPolarHBondContact O-CB 3.18Å; A17-Y21 PolarHBondContact O-N 2.99Å |
| 18 | A | 90.5 | Very high | 82.8 | Confident | 43 Ų | 43 | 105.7 Ų | 105.7 | 36% | 0.355 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.7 | -42.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | F14 I15 Y21 M22 | F14-A18 WeakPolarHBondContact O-CB 3.49Å; F14-A18 PolarHBondContact O-N 2.93Å; I15-A18 PolarHBondContact O-N 3.27Å; A18-Y21 PolarHBondContact O-N 2.96Å; A18-M22 VanDerWaalsContact O-CB 3.28Å; A18-M22 WeakPolarHBondContact O-CB 3.46Å; A18-M22 WeakPolarHBondContact O-CG 3.2Å; A18-M22 PolarHBondContact O-N 3.36Å |
| 19 | I | 90.3 | Very high | 81.6 | Confident | 109 Ų | 109 | 106.4 Ų | 106.4 | 56% | 0.559 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -62.9 | -45.4 | 174.8 | -69 | 167.3 | 0 | 0 | 0 | 110.4 | I15 Y21 M22 Y23 | I15-I19 HydrophobicContact CG2-CD1 3.71Å; I15-I19 HydrophobicContact CG2-CG1 4.34Å; I15-I19 WeakPolarHBondContact O-CB 3.32Å; I15-I19 VanDerWaalsContact O-CG1 3.27Å; I15-I19 WeakPolarHBondContact O-CG1 3.5Å; I15-I19 PolarHBondContact O-N 2.92Å; I19-Y21 VanDerWaalsContact C-N 3.33Å; I19-Y21 PolarHBondContact O-N 3.46Å; I19-M22 PolarHBondContact O-N 2.8Å; I19-Y23 WeakPolarHBondContact O-CB 3.17Å; I19-Y23 PolarHBondContact O-N 3.45Å |
| 20 | S | 86.3 | Confident | 80 | Confident | 82 Ų | 82 | 103.7 Ų | 103.7 | 57% | 0.573 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.2 | -40.4 | 176.8 | -65.4 | 0 | 0 | 0 | 0 | 112.2 | A16 A17 G24 | A16-S20 WeakPolarHBondContact O-CB 3.5Å; A16-S20 PolarHBondContact O-N 3.49Å; A16-S20 PolarHBondContact O-OG 2.76Å; A17-S20 PolarHBondContact O-N 3.36Å; S20-G24 PolarHBondContact O-N 3.12Å |
| 21 | Y | 87.6 | Confident | 78.2 | Confident | 161 Ų | 161 | 106.9 Ų | 106.9 | 63% | 0.631 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -67.6 | -45.9 | 176.7 | -179.4 | -105.1 | 0 | 0 | 0 | 112 | A17 A18 I19 Y23 G24 I25 | A17-Y21 VanDerWaalsContact O-CB 3.31Å; A17-Y21 WeakPolarHBondContact O-CB 3.18Å; A17-Y21 PolarHBondContact O-N 2.99Å; A18-Y21 PolarHBondContact O-N 2.96Å; I19-Y21 VanDerWaalsContact C-N 3.33Å; I19-Y21 PolarHBondContact O-N 3.46Å; Y21-Y23 VanDerWaalsContact C-N 3.33Å; Y21-Y23 PolarHBondContact O-N 2.83Å; Y21-G24 CarbonylContact O-C 3.56Å; Y21-G24 WeakPolarHBondContact O-CA 3.44Å; Y21-G24 PolarHBondContact O-N 3.41Å; Y21-G24 VanDerWaalsContact O-N 3.11Å; Y21-I25 HydrophobicContact CD1-CD1 3.82Å; Y21-I25 HydrophobicContact CE1-CD1 3.22Å; Y21-I25 HydrophobicContact CE1-CG1 4.18Å; Y21-I25 HydrophobicContact CE2-CD1 4.31Å; Y21-I25 PolarHBondContact O-N 3.43Å |
| 22 | M | 86.9 | Confident | 76.3 | Confident | 123 Ų | 123 | 110.2 Ų | 110.2 | 61% | 0.606 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -63.4 | -39 | 175.6 | -72.9 | -68 | -70.4 | 0 | 0 | 111.6 | A18 I19 G24 I25 Y26 | A18-M22 VanDerWaalsContact O-CB 3.28Å; A18-M22 WeakPolarHBondContact O-CB 3.46Å; A18-M22 WeakPolarHBondContact O-CG 3.2Å; A18-M22 PolarHBondContact O-N 3.36Å; I19-M22 PolarHBondContact O-N 2.8Å; M22-G24 VanDerWaalsContact C-N 3.34Å; M22-I25 PolarHBondContact O-N 2.83Å; M22-Y26 WeakPolarHBondContact O-CB 3.41Å; M22-Y26 PolarHBondContact O-N 2.84Å |
| 23 | Y | 80.8 | Confident | 74.5 | Confident | 143 Ų | 143 | 115.6 Ų | 115.6 | 56% | 0.561 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -65.9 | -38.2 | 172.1 | -175.3 | -105.3 | 0 | 0 | 0 | 111.5 | I19 Y21 Y26 K27 | I19-Y23 WeakPolarHBondContact O-CB 3.17Å; I19-Y23 PolarHBondContact O-N 3.45Å; Y21-Y23 VanDerWaalsContact C-N 3.33Å; Y21-Y23 PolarHBondContact O-N 2.83Å; Y23-Y26 PolarHBondContact O-N 3.32Å; Y23-K27 HydrophobicContact CE1-CD 4.23Å; Y23-K27 WeakPolarHBondContact O-CB 3.2Å; Y23-K27 PolarHBondContact O-N 2.8Å |
| 24 | G | 80.2 | Confident | 72.7 | Confident | 34 Ų | 34 | 120.2 Ų | 120.2 | 35% | 0.351 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -59.6 | -49.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | S20 Y21 M22 K27 Q28 | S20-G24 PolarHBondContact O-N 3.12Å; Y21-G24 CarbonylContact O-C 3.56Å; Y21-G24 WeakPolarHBondContact O-CA 3.44Å; Y21-G24 PolarHBondContact O-N 3.41Å; Y21-G24 VanDerWaalsContact O-N 3.11Å; M22-G24 VanDerWaalsContact C-N 3.34Å; G24-K27 PolarHBondContact O-N 2.97Å; G24-Q28 VanDerWaalsContact O-CB 3.23Å; G24-Q28 WeakPolarHBondContact O-CB 3.42Å; G24-Q28 PolarHBondContact O-N 3Å |
| 25 | I | 79.6 | Confident | 71.1 | Confident | 66 Ų | 66 | 115.6 Ų | 115.6 | 34% | 0.338 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -62.9 | -45.3 | 175.6 | -70.3 | 177.3 | 0 | 0 | 0 | 111 | Y21 M22 Q28 R29 | Y21-I25 HydrophobicContact CD1-CD1 3.82Å; Y21-I25 HydrophobicContact CE1-CD1 3.22Å; Y21-I25 HydrophobicContact CE1-CG1 4.18Å; Y21-I25 HydrophobicContact CE2-CD1 4.31Å; Y21-I25 PolarHBondContact O-N 3.43Å; M22-I25 PolarHBondContact O-N 2.83Å; I25-Q28 CarbonylContact O-C 3.58Å; I25-Q28 PolarHBondContact O-N 2.83Å; I25-R29 PolarHBondContact O-N 3.11Å |
| 26 | Y | 75.1 | Confident | 70.5 | Confident | 143 Ų | 143 | 116.3 Ų | 116.3 | 56% | 0.561 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -61.1 | -47.7 | 179.1 | -179.8 | -104.4 | 0 | 0 | 0 | 110.4 | M22 Y23 Q28 R29 D30 | M22-Y26 WeakPolarHBondContact O-CB 3.41Å; M22-Y26 PolarHBondContact O-N 2.84Å; Y23-Y26 PolarHBondContact O-N 3.32Å; Y26-Q28 VanDerWaalsContact C-N 3.27Å; Y26-Q28 PolarHBondContact O-N 3.47Å; Y26-R29 CarbonylContact O-C 3.56Å; Y26-R29 WeakPolarHBondContact O-CB 3.45Å; Y26-R29 PolarHBondContact O-N 2.79Å; Y26-R29 VanDerWaalsContact O-N 3.12Å; Y26-D30 WeakPolarHBondContact CE1-OD2 3.31Å; Y26-D30 VanDerWaalsContact CZ-OD2 3.26Å; Y26-D30 WeakPolarHBondContact O-CB 3.45Å; Y26-D30 PolarHBondContact O-N 2.81Å; Y26-D30 PolarHBondContact OH-OD2 2.83Å; Y26-D30 VanDerWaalsContact OH-OD2 3.08Å |
| 27 | K | 65.2 | Low | 70.5 | Confident | 130 Ų | 130 | 117.7 Ų | 117.7 | 57% | 0.565 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -67.1 | -26.3 | 176 | -161.3 | 179.4 | -174 | -177.8 | 0 | 112.8 | Y23 G24 R31 | Y23-K27 HydrophobicContact CE1-CD 4.23Å; Y23-K27 WeakPolarHBondContact O-CB 3.2Å; Y23-K27 PolarHBondContact O-N 2.8Å; G24-K27 PolarHBondContact O-N 2.97Å; K27-R31 WeakPolarHBondContact O-CB 3.34Å; K27-R31 PolarHBondContact O-N 2.83Å |
| 28 | Q | 61 | Low | 70.5 | Confident | 148 Ų | 148 | 116 Ų | 116 | 69% | 0.692 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -76.5 | -31.6 | 172.6 | -168.7 | 162 | -11.6 | 0 | 0 | 112 | G24 I25 Y26 R31 | G24-Q28 VanDerWaalsContact O-CB 3.23Å; G24-Q28 WeakPolarHBondContact O-CB 3.42Å; G24-Q28 PolarHBondContact O-N 3Å; I25-Q28 CarbonylContact O-C 3.58Å; I25-Q28 PolarHBondContact O-N 2.83Å; Y26-Q28 VanDerWaalsContact C-N 3.27Å; Y26-Q28 PolarHBondContact O-N 3.47Å; Q28-R31 WeakPolarHBondContact O-CB 3.45Å |
| 29 | R | 54.1 | Low | 70.4 | Confident | 216 Ų | 216 | 117.2 Ų | 117.2 | 82% | 0.815 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -73.1 | -41.8 | 169.5 | -106.1 | -178.5 | 172.5 | 169.2 | -1.6 | 112.5 | I25 Y26 R31 | I25-R29 PolarHBondContact O-N 3.11Å; Y26-R29 CarbonylContact O-C 3.56Å; Y26-R29 WeakPolarHBondContact O-CB 3.45Å; Y26-R29 PolarHBondContact O-N 2.79Å; Y26-R29 VanDerWaalsContact O-N 3.12Å; R29-R31 VanDerWaalsContact C-N 3.29Å |
| 30 | D | 46.7 | Very low | 70.4 | Confident | 88 Ų | 88 | 113.1 Ų | 113.1 | 47% | 0.471 | 52% | 0.521 | S | S | . | . | S | Bend | trans | -83.8 | -3.8 | 177.3 | -106.8 | -1.3 | 0 | 0 | 0 | 113.4 | Y26 K32 | Y26-D30 WeakPolarHBondContact CE1-OD2 3.31Å; Y26-D30 VanDerWaalsContact CZ-OD2 3.26Å; Y26-D30 WeakPolarHBondContact O-CB 3.45Å; Y26-D30 PolarHBondContact O-N 2.81Å; Y26-D30 PolarHBondContact OH-OD2 2.83Å; Y26-D30 VanDerWaalsContact OH-OD2 3.08Å; D30-K32 PolarHBondContact O-N 2.75Å |
| 31 | R | 44.3 | Very low | 70.7 | Confident | 189 Ų | 189 | 109.2 Ų | 109.2 | 71% | 0.713 | 49% | 0.493 | S | S | * | . | trans | -64.6 | 64.7 | 147.8 | -114 | -176.4 | 174.9 | -179.8 | -1.3 | 107.3 | K27 Q28 R29 Q33 | K27-R31 WeakPolarHBondContact O-CB 3.34Å; K27-R31 PolarHBondContact O-N 2.83Å; Q28-R31 WeakPolarHBondContact O-CB 3.45Å; R29-R31 VanDerWaalsContact C-N 3.29Å; R31-Q33 PolarHBondContact O-N 2.84Å | ||
| 32 | K | 44.4 | Very low | 71 | Confident | 170 Ų | 170 | 102.4 Ų | 102.4 | 74% | 0.739 | 47% | 0.468 | S | S | * | . | trans | -37 | 117.4 | 138.7 | -71.3 | 179.9 | 179.9 | 176.8 | 0 | 103.9 | D30 I34 | D30-K32 PolarHBondContact O-N 2.75Å; K32-I34 PolarHBondContact O-N 3.18Å | ||
| 33 | Q | 47.5 | Very low | 71.2 | Confident | 168 Ų | 168 | 98.2 Ų | 98.2 | 79% | 0.785 | 45% | 0.451 | S | S | * | . | trans | -38.5 | 114.5 | 174.5 | -80.1 | 167.5 | -38.8 | 0 | 0 | 105.8 | R31 L35 | R31-Q33 PolarHBondContact O-N 2.84Å; Q33-L35 HydrophobicContact CB-CD1 4.27Å; Q33-L35 PolarHBondContact O-N 3Å | ||
| 34 | I | 47.3 | Very low | 71.9 | Confident | 138 Ų | 138 | 91.7 Ų | 91.7 | 71% | 0.708 | 43% | 0.426 | S | S | * | . | trans | -68 | 85.8 | 166.8 | -62.3 | 171.5 | 0 | 0 | 0 | 101.2 | K32 F36 | K32-I34 PolarHBondContact O-N 3.18Å; I34-F36 PolarHBondContact O-N 3.21Å | ||
| 35 | L | 58.6 | Low | 72.6 | Confident | 71 Ų | 71 | 90 Ų | 90 | 37% | 0.372 | 41% | 0.41 | S | S | . | . | trans | -57.7 | 125.6 | 175.8 | -139.3 | 82.5 | 0 | 0 | 0 | 103.5 | Q33 M37 E39 | Q33-L35 HydrophobicContact CB-CD1 4.27Å; Q33-L35 PolarHBondContact O-N 3Å; L35-M37 PolarHBondContact O-N 3.31Å; L35-E39 HydrophobicContact CD2-CB 3.93Å; L35-E39 HydrophobicContact CG-CB 3.75Å | ||
| 36 | F | 77.2 | Confident | 73.3 | Confident | 108 Ų | 108 | 92.1 Ų | 92.1 | 47% | 0.474 | 42% | 0.418 | S | S | . | . | trans | -57.2 | 147.6 | 174.5 | -73.7 | -84.7 | 0 | 0 | 0 | 107.8 | I34 E38 E39 T40 A415 | I34-F36 PolarHBondContact O-N 3.21Å; F36-E38 PolarHBondContact O-N 2.83Å; F36-E38 VanDerWaalsContact O-N 3.12Å; F36-E39 HydrophobicContact CB-CG 4.37Å; F36-E39 PolarHBondContact N-OE2 2.99Å; F36-E39 VanDerWaalsContact N-OE2 3.11Å; F36-E39 WeakPolarHBondContact O-CB 3.23Å; F36-E39 PolarHBondContact O-N 2.84Å; F36-T40 PolarHBondContact O-N 2.84Å; F36-T40 PolarHBondContact O-OG1 2.95Å; F36-A415 HydrophobicContact CB-CB 3.49Å; F36-A415 VanDerWaalsContact CB-CB 3.49Å; F36-A415 HydrophobicContact CD1-CB 4.44Å; F36-A415 HydrophobicContact CD2-CB 3.55Å; F36-A415 HydrophobicContact CE2-CB 4.39Å; F36-A415 HydrophobicContact CG-CB 3.58Å | ||
| 37 | M | 87.2 | Confident | 74.3 | Confident | 82 Ų | 82 | 92.4 Ų | 92.4 | 40% | 0.404 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -54.9 | -35.4 | -177.7 | -179.1 | 172.2 | 57.2 | 0 | 0 | 110.9 | L35 T40 L41 L420 F438 A440 | L35-M37 PolarHBondContact O-N 3.31Å; M37-T40 PolarHBondContact O-N 3.13Å; M37-L41 WeakPolarHBondContact O-CB 3.29Å; M37-L41 PolarHBondContact O-N 2.85Å; M37-L420 HydrophobicContact CE-CB 4.18Å; M37-L420 HydrophobicContact CE-CD2 3.57Å; M37-L420 HydrophobicContact CE-CG 4.41Å; M37-L420 HydrophobicContact CG-CD2 4.21Å; M37-L420 HydrophobicContact SD-CD2 3.89Å; M37-F438 HydrophobicContact CG-CE1 3.84Å; M37-F438 HydrophobicContact CG-CZ 3.92Å; M37-F438 HydrophobicContact SD-CD1 4.34Å; M37-F438 HydrophobicContact SD-CE1 3.39Å; M37-F438 WeakPolarHBondContact SD-CE1 3.31Å; M37-F438 HydrophobicContact SD-CZ 3.93Å; M37-A440 HydrophobicContact CG-CB 4.19Å |
| 38 | E | 89.7 | Confident | 75.7 | Confident | 23 Ų | 23 | 88.4 Ų | 88.4 | 11% | 0.107 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -63.2 | -44.5 | 175 | -61.9 | 80.7 | 180 | 0 | 0 | 112.6 | F36 T40 L41 V42 L418 L460 | F36-E38 PolarHBondContact O-N 2.83Å; F36-E38 VanDerWaalsContact O-N 3.12Å; E38-T40 VanDerWaalsContact C-N 3.34Å; E38-T40 PolarHBondContact O-N 2.85Å; E38-L41 WeakPolarHBondContact O-CB 3.43Å; E38-L41 PolarHBondContact O-N 3.38Å; E38-V42 WeakPolarHBondContact O-CG2 3.39Å; E38-V42 PolarHBondContact O-N 2.89Å; E38-L418 HydrophobicContact CB-CB 4.17Å; E38-L418 HydrophobicContact CB-CD1 4.39Å; E38-L418 HydrophobicContact CG-CB 4.03Å; E38-L460 HydrophobicContact CB-CD1 4.27Å; E38-L460 HydrophobicContact CB-CD2 4.05Å; E38-L460 HydrophobicContact CG-CD2 3.69Å |
| 39 | E | 88.2 | Confident | 77.3 | Confident | 70 Ų | 70 | 83.1 Ų | 83.1 | 33% | 0.327 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -66.2 | -38.5 | 176.4 | -74.4 | 166.2 | 173.6 | 0 | 0 | 111.5 | L35 F36 L41 V42 S43 A415 | L35-E39 HydrophobicContact CD2-CB 3.93Å; L35-E39 HydrophobicContact CG-CB 3.75Å; F36-E39 HydrophobicContact CB-CG 4.37Å; F36-E39 PolarHBondContact N-OE2 2.99Å; F36-E39 VanDerWaalsContact N-OE2 3.11Å; F36-E39 WeakPolarHBondContact O-CB 3.23Å; F36-E39 PolarHBondContact O-N 2.84Å; E39-L41 VanDerWaalsContact C-N 3.28Å; E39-L41 PolarHBondContact O-N 3Å; E39-V42 PolarHBondContact O-N 3.27Å; E39-S43 WeakPolarHBondContact O-CB 3.28Å; E39-S43 PolarHBondContact O-N 3.48Å; E39-A415 HydrophobicContact CG-CB 3.89Å; E39-A415 WeakPolarHBondContact OE1-CB 3.45Å |
| 40 | T | 91.2 | Very high | 79.2 | Confident | 23 Ų | 23 | 79.2 Ų | 79.2 | 14% | 0.141 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -63.3 | -40.5 | 176 | -54.7 | 0 | 0 | 0 | 0 | 110.5 | F36 M37 E38 S44 A440 L441 | F36-T40 PolarHBondContact O-N 2.84Å; F36-T40 PolarHBondContact O-OG1 2.95Å; M37-T40 PolarHBondContact O-N 3.13Å; E38-T40 VanDerWaalsContact C-N 3.34Å; E38-T40 PolarHBondContact O-N 2.85Å; T40-S44 WeakPolarHBondContact O-CB 3.29Å; T40-S44 PolarHBondContact O-N 3.43Å; T40-S44 PolarHBondContact O-OG 3.14Å; T40-A440 HydrophobicContact CG2-CB 3.78Å; T40-L441 HydrophobicContact CG2-CD2 3.6Å; T40-L441 HydrophobicContact CG2-CG 4.07Å |
| 41 | L | 92.8 | Very high | 81.3 | Confident | 0 Ų | 0 | 79 Ų | 79 | 0% | 0 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -66.2 | -48.2 | 178.5 | -174.5 | 58.4 | 0 | 0 | 0 | 111.6 | M37 E38 E39 S43 S44 W45 L420 P443 P458 L460 | M37-L41 WeakPolarHBondContact O-CB 3.29Å; M37-L41 PolarHBondContact O-N 2.85Å; E38-L41 WeakPolarHBondContact O-CB 3.43Å; E38-L41 PolarHBondContact O-N 3.38Å; E39-L41 VanDerWaalsContact C-N 3.28Å; E39-L41 PolarHBondContact O-N 3Å; L41-S43 PolarHBondContact O-N 2.78Å; L41-S44 PolarHBondContact O-N 3.09Å; L41-S44 VanDerWaalsContact O-N 3.15Å; L41-W45 HydrophobicContact CD1-CD2 4.39Å; L41-W45 HydrophobicContact CD1-CH2 4.24Å; L41-W45 HydrophobicContact CD1-CZ2 3.6Å; L41-W45 HydrophobicContact CD2-CH2 3.52Å; L41-W45 HydrophobicContact CD2-CZ2 3.61Å; L41-W45 HydrophobicContact CD2-CZ3 4.28Å; L41-W45 HydrophobicContact CG-CD2 4.22Å; L41-W45 HydrophobicContact CG-CE3 4.26Å; L41-W45 HydrophobicContact CG-CH2 3.54Å; L41-W45 HydrophobicContact CG-CZ2 3.44Å; L41-W45 VanDerWaalsContact CG-CZ2 3.44Å; L41-W45 HydrophobicContact CG-CZ3 3.96Å; L41-W45 PolarHBondContact O-N 3.15Å; L41-L420 HydrophobicContact CD2-CD1 4.02Å; L41-P443 HydrophobicContact CD1-CB 3.21Å; L41-P443 HydrophobicContact CD1-CG 3.63Å; L41-P458 HydrophobicContact CD1-CG 4.47Å; L41-P458 HydrophobicContact CD2-CG 4.49Å; L41-L460 HydrophobicContact CB-CD1 4.39Å; L41-L460 HydrophobicContact CD2-CD1 4.08Å; L41-L460 HydrophobicContact CD2-CD2 3.82Å; L41-L460 HydrophobicContact CD2-CG 3.78Å; L41-L460 HydrophobicContact CG-CD1 4.34Å |
| 42 | V | 92.6 | Very high | 83.7 | Confident | 17 Ų | 17 | 70.4 Ų | 70.4 | 10% | 0.103 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -56.7 | -49 | 174.2 | 169.3 | 0 | 0 | 0 | 0 | 111.1 | E38 E39 S44 W45 Q46 L399 L413 L418 L460 | E38-V42 WeakPolarHBondContact O-CG2 3.39Å; E38-V42 PolarHBondContact O-N 2.89Å; E39-V42 PolarHBondContact O-N 3.27Å; V42-S44 VanDerWaalsContact C-N 3.26Å; V42-S44 PolarHBondContact O-N 3.31Å; V42-W45 PolarHBondContact O-N 2.94Å; V42-Q46 WeakPolarHBondContact O-CG 3.36Å; V42-Q46 PolarHBondContact O-N 3.25Å; V42-L399 HydrophobicContact CG1-CD1 3.91Å; V42-L399 HydrophobicContact CG2-CD1 4.43Å; V42-L413 HydrophobicContact CG2-CD1 4.11Å; V42-L418 HydrophobicContact CG2-CD1 4.39Å; V42-L460 HydrophobicContact CG2-CD1 3.64Å |
| 43 | S | 92.5 | Very high | 86.1 | Confident | 35 Ų | 35 | 67.8 Ų | 67.8 | 25% | 0.245 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61 | -36.7 | 178.4 | -174.4 | 0 | 0 | 0 | 0 | 112.3 | E39 L41 K47 | E39-S43 WeakPolarHBondContact O-CB 3.28Å; E39-S43 PolarHBondContact O-N 3.48Å; L41-S43 PolarHBondContact O-N 2.78Å; S43-K47 VanDerWaalsContact O-CG 3.31Å; S43-K47 WeakPolarHBondContact O-CG 3.41Å; S43-K47 PolarHBondContact O-N 2.97Å; S43-K47 VanDerWaalsContact O-N 3.14Å |
| 44 | S | 94.5 | Very high | 88.3 | Confident | 6 Ų | 6 | 63 Ų | 63 | 4% | 0.042 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -69.9 | -42.2 | 178.8 | -60.6 | 0 | 0 | 0 | 0 | 111.7 | T40 L41 V42 K47 M48 A440 L441 | T40-S44 WeakPolarHBondContact O-CB 3.29Å; T40-S44 PolarHBondContact O-N 3.43Å; T40-S44 PolarHBondContact O-OG 3.14Å; L41-S44 PolarHBondContact O-N 3.09Å; L41-S44 VanDerWaalsContact O-N 3.15Å; V42-S44 VanDerWaalsContact C-N 3.26Å; V42-S44 PolarHBondContact O-N 3.31Å; S44-K47 PolarHBondContact O-N 3.32Å; S44-M48 VanDerWaalsContact O-CG 3.25Å; S44-M48 WeakPolarHBondContact O-CG 3.38Å; S44-M48 PolarHBondContact O-N 3.15Å; S44-M48 VanDerWaalsContact O-N 3.09Å; S44-A440 WeakPolarHBondContact CB-O 3.28Å; S44-A440 PolarHBondContact OG-O 3.22Å; S44-L441 WeakPolarHBondContact OG-CA 3.3Å |
| 45 | W | 95.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.8 | -46.4 | 172.6 | -69.5 | -35.8 | 0 | 0 | 0 | 112.3 | L41 V42 K47 M48 M49 A395 A398 L399 T457 P458 L460 | L41-W45 HydrophobicContact CD1-CD2 4.39Å; L41-W45 HydrophobicContact CD1-CH2 4.24Å; L41-W45 HydrophobicContact CD1-CZ2 3.6Å; L41-W45 HydrophobicContact CD2-CH2 3.52Å; L41-W45 HydrophobicContact CD2-CZ2 3.61Å; L41-W45 HydrophobicContact CD2-CZ3 4.28Å; L41-W45 HydrophobicContact CG-CD2 4.22Å; L41-W45 HydrophobicContact CG-CE3 4.26Å; L41-W45 HydrophobicContact CG-CH2 3.54Å; L41-W45 HydrophobicContact CG-CZ2 3.44Å; L41-W45 VanDerWaalsContact CG-CZ2 3.44Å; L41-W45 HydrophobicContact CG-CZ3 3.96Å; L41-W45 PolarHBondContact O-N 3.15Å; V42-W45 PolarHBondContact O-N 2.94Å; W45-K47 VanDerWaalsContact C-N 3.25Å; W45-K47 PolarHBondContact O-N 3.18Å; W45-M48 CarbonylContact O-C 3.57Å; W45-M48 WeakPolarHBondContact O-CA 3.17Å; W45-M48 PolarHBondContact O-N 2.7Å; W45-M49 VanDerWaalsContact O-CG 3.28Å; W45-M49 WeakPolarHBondContact O-CG 3.49Å; W45-M49 PolarHBondContact O-N 2.67Å; W45-A395 HydrophobicContact CB-CB 3.97Å; W45-A395 HydrophobicContact CG-CB 4.19Å; W45-A398 HydrophobicContact CD2-CB 4.13Å; W45-A398 HydrophobicContact CE3-CB 4.3Å; W45-A398 HydrophobicContact CH2-CB 3.94Å; W45-A398 HydrophobicContact CZ2-CB 3.78Å; W45-A398 HydrophobicContact CZ3-CB 4.2Å; W45-L399 HydrophobicContact CE3-CB 4.49Å; W45-T457 PolarHBondContact NE1-OG1 3.27Å; W45-P458 WeakPolarHBondContact CZ2-O 3.39Å; W45-L460 HydrophobicContact CH2-CB 4.36Å; W45-L460 HydrophobicContact CH2-CD1 4Å; W45-L460 HydrophobicContact CH2-CG 3.77Å; W45-L460 HydrophobicContact CZ3-CB 4.4Å; W45-L460 HydrophobicContact CZ3-CD1 3.63Å; W45-L460 HydrophobicContact CZ3-CG 3.89Å |
| 46 | Q | 94.4 | Very high | 92.4 | Very high | 109 Ų | 109 | 59.8 Ų | 59.8 | 51% | 0.509 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -56.8 | -39.1 | 177.5 | -72.6 | 173.6 | -23.1 | 0 | 0 | 112.4 | V42 M48 M49 L399 | V42-Q46 WeakPolarHBondContact O-CG 3.36Å; V42-Q46 PolarHBondContact O-N 3.25Å; Q46-M48 VanDerWaalsContact C-N 3.33Å; Q46-M49 PolarHBondContact O-N 2.87Å; Q46-L399 HydrophobicContact CG-CD2 3.91Å |
| 47 | K | 94.7 | Very high | 93.3 | Very high | 149 Ų | 149 | 57.3 Ų | 57.3 | 65% | 0.648 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -68.9 | -30.3 | 175 | -70.7 | 167.9 | -173.2 | 166.8 | 0 | 113.1 | S43 S44 W45 | S43-K47 VanDerWaalsContact O-CG 3.31Å; S43-K47 WeakPolarHBondContact O-CG 3.41Å; S43-K47 PolarHBondContact O-N 2.97Å; S43-K47 VanDerWaalsContact O-N 3.14Å; S44-K47 PolarHBondContact O-N 3.32Å; W45-K47 VanDerWaalsContact C-N 3.25Å; W45-K47 PolarHBondContact O-N 3.18Å |
| 48 | M | 94.8 | Very high | 93.8 | Very high | 46 Ų | 46 | 57.6 Ų | 57.6 | 23% | 0.227 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -83.4 | -18.9 | 179.5 | -69.3 | 173.4 | 175.3 | 0 | 0 | 113.3 | S44 W45 Q46 Q50 A392 A395 N442 P443 I444 | S44-M48 VanDerWaalsContact O-CG 3.25Å; S44-M48 WeakPolarHBondContact O-CG 3.38Å; S44-M48 PolarHBondContact O-N 3.15Å; S44-M48 VanDerWaalsContact O-N 3.09Å; W45-M48 CarbonylContact O-C 3.57Å; W45-M48 WeakPolarHBondContact O-CA 3.17Å; W45-M48 PolarHBondContact O-N 2.7Å; Q46-M48 VanDerWaalsContact C-N 3.33Å; M48-Q50 PolarHBondContact O-N 2.91Å; M48-A392 WeakPolarHBondContact O-CB 3.4Å; M48-A395 HydrophobicContact CB-CB 4.16Å; M48-N442 WeakPolarHBondContact CE-OD1 3.31Å; M48-P443 HydrophobicContact CE-CG 4.35Å; M48-P443 HydrophobicContact SD-CG 4.18Å; M48-I444 HydrophobicContact CB-CD1 4.32Å; M48-I444 HydrophobicContact CG-CD1 4.44Å; M48-I444 HydrophobicContact SD-CB 4.17Å; M48-I444 HydrophobicContact SD-CD1 3.44Å; M48-I444 WeakPolarHBondContact SD-CD1 3.4Å; M48-I444 HydrophobicContact SD-CG1 3.64Å |
| 49 | M | 94.3 | Very high | 94.3 | Very high | 37 Ų | 37 | 56.5 Ų | 56.5 | 18% | 0.182 | 30% | 0.296 | C | S | . | . | trans | -71.2 | 72.5 | 178 | -75 | 170.5 | 65.1 | 0 | 0 | 111.8 | W45 Q46 A395 A396 L399 Y482 | W45-M49 VanDerWaalsContact O-CG 3.28Å; W45-M49 WeakPolarHBondContact O-CG 3.49Å; W45-M49 PolarHBondContact O-N 2.67Å; Q46-M49 PolarHBondContact O-N 2.87Å; M49-A395 HydrophobicContact CG-CB 3.83Å; M49-A396 HydrophobicContact CE-CB 3.79Å; M49-A396 HydrophobicContact CG-CB 4.12Å; M49-A396 HydrophobicContact SD-CB 4.23Å; M49-L399 HydrophobicContact CE-CD2 4.28Å; M49-L399 HydrophobicContact SD-CB 4.39Å; M49-L399 HydrophobicContact SD-CD2 3.65Å; M49-Y482 HydrophobicContact CB-CD1 4.37Å; M49-Y482 HydrophobicContact CB-CE1 3.86Å; M49-Y482 HydrophobicContact CE-CD2 4.47Å; M49-Y482 HydrophobicContact CE-CE1 4.15Å; M49-Y482 HydrophobicContact CE-CE2 3.66Å; M49-Y482 VanDerWaalsContact CE-CZ 3.47Å; M49-Y482 WeakPolarHBondContact CE-OH 3.37Å | ||
| 50 | Q | 93.6 | Very high | 94.7 | Very high | 134 Ų | 134 | 53.1 Ų | 53.1 | 63% | 0.626 | 28% | 0.28 | S | S | * | . | P | Polyproline II helix | trans | -81 | 130.5 | 173.8 | -64.7 | -176.5 | 6.6 | 0 | 0 | 110.4 | M48 N389 A392 | M48-Q50 PolarHBondContact O-N 2.91Å; Q50-N389 PolarHBondContact O-ND2 3.48Å; Q50-A392 WeakPolarHBondContact O-CB 3.49Å |
| 51 | V | 92.7 | Very high | 95.1 | Very high | 85 Ų | 85 | 52 Ų | 52 | 52% | 0.515 | 27% | 0.274 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 132.5 | 176.8 | -174.3 | 0 | 0 | 0 | 0 | 109.2 | K55 | V51-K55 HydrophobicContact CG1-CD 3.93Å; V51-K55 HydrophobicContact CG1-CG 4.49Å |
| 52 | P | 94.7 | Very high | 95.2 | Very high | 7 Ų | 7 | 52 Ų | 52 | 5% | 0.045 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 151 | -178.7 | 25.2 | -32.9 | 0 | 0 | 0 | 112 | K55 Q484 | P52-K55 HydrophobicContact CG-CG 4.3Å; P52-K55 WeakPolarHBondContact O-CE 3.25Å; P52-K55 WeakPolarHBondContact O-CG 3.37Å; P52-Q484 HydrophobicContact CB-CB 3.84Å; P52-Q484 HydrophobicContact CB-CG 4.38Å |
| 53 | S | 93.7 | Very high | 95.3 | Very high | 116 Ų | 116 | 51.4 Ų | 51.4 | 81% | 0.811 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -69.5 | -39.7 | 177.3 | -52.5 | 0 | 0 | 0 | 0 | 111.5 | ||
| 54 | V | 93.5 | Very high | 95.4 | Very high | 67 Ų | 67 | 49.9 Ų | 49.9 | 41% | 0.406 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -104.8 | 110.8 | 171.4 | -177 | 0 | 0 | 0 | 0 | 108 | Q484 | V54-Q484 HydrophobicContact CB-CG 4.04Š|
| 55 | K | 94.9 | Very high | 95.4 | Very high | 128 Ų | 128 | 49.6 Ų | 49.6 | 56% | 0.557 | 26% | 0.257 | S | S | * | . | trans | -101.7 | 145.9 | -176.8 | -50 | -177.3 | -164.6 | -172.3 | 0 | 110.4 | V51 P52 | V51-K55 HydrophobicContact CG1-CD 3.93Å; V51-K55 HydrophobicContact CG1-CG 4.49Å; P52-K55 HydrophobicContact CG-CG 4.3Å; P52-K55 WeakPolarHBondContact O-CE 3.25Å; P52-K55 WeakPolarHBondContact O-CG 3.37Å | ||
| 56 | F | 97.1 | Very high | 95.4 | Very high | 13 Ų | 13 | 49.7 Ų | 49.7 | 6% | 0.057 | 26% | 0.257 | C | S | . | . | trans | -71.3 | 138 | 164.4 | -56.6 | -60.7 | 0 | 0 | 0 | 110.2 | I59 L243 P279 W387 M481 F485 | F56-I59 HydrophobicContact CB-CD1 3.91Å; F56-I59 HydrophobicContact CB-CG1 4.06Å; F56-L243 HydrophobicContact CB-CB 4.39Å; F56-L243 HydrophobicContact CB-CD2 4.42Å; F56-L243 HydrophobicContact CD1-CB 3.61Å; F56-L243 HydrophobicContact CD1-CD2 4.31Å; F56-L243 HydrophobicContact CD1-CG 4.48Å; F56-L243 HydrophobicContact CD2-CD2 3.74Å; F56-L243 HydrophobicContact CE1-CB 3.94Å; F56-L243 HydrophobicContact CE1-CD1 4.48Å; F56-L243 HydrophobicContact CE2-CD2 4.01Å; F56-L243 HydrophobicContact CG-CB 3.93Å; F56-L243 HydrophobicContact CG-CD2 3.89Å; F56-L243 HydrophobicContact CZ-CD1 4.38Å; F56-L243 HydrophobicContact CZ-CD2 4.39Å; F56-P279 HydrophobicContact CE1-CG 3.84Å; F56-P279 HydrophobicContact CZ-CG 4.19Å; F56-W387 HydrophobicContact CZ-CZ3 4.37Å; F56-M481 HydrophobicContact CB-CE 4.4Å; F56-F485 HydrophobicContact CE1-CB 4.12Å; F56-F485 HydrophobicContact CZ-CB 3.78Å | ||
| 57 | S | 96.9 | Very high | 95.4 | Very high | 56 Ų | 56 | 44.6 Ų | 44.6 | 39% | 0.392 | 23% | 0.233 | S | C | . | . | trans | -128.5 | -25 | -175.2 | 68.6 | 0 | 0 | 0 | 0 | 112.5 | K160 D242 | S57-K160 PolarHBondContact O-N 3Å; S57-D242 WeakPolarHBondContact CA-OD2 3.03Å; S57-D242 WeakPolarHBondContact CB-OD2 3.46Å; S57-D242 VanDerWaalsContact N-CG 3.32Å; S57-D242 PolarHBondContact N-OD1 2.8Å; S57-D242 VanDerWaalsContact N-OD1 3.12Å; S57-D242 PolarHBondContact N-OD2 2.84Å; S57-D242 PolarHBondContact OG-OD2 3.46Å | ||
| 58 | K | 98.1 | Very high | 95.4 | Very high | 88 Ų | 88 | 38 Ų | 38 | 38% | 0.383 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 99.4 | -179.9 | -70.6 | -176.2 | -179.8 | 179.1 | 0 | 109.8 | K160 F239 P241 D242 L243 | K58-K160 WeakPolarHBondContact CA-O 3.48Å; K58-K160 HydrophobicContact CG-CB 4.41Å; K58-F239 HydrophobicContact CB-CE1 3.99Å; K58-F239 HydrophobicContact CB-CZ 4.12Å; K58-P241 CarbonylContact O-C 3.56Å; K58-P241 WeakPolarHBondContact O-CA 3.33Å; K58-P241 VanDerWaalsContact O-CB 3.27Å; K58-P241 WeakPolarHBondContact O-CB 3.31Å; K58-D242 VanDerWaalsContact C-OD1 3.29Å; K58-D242 PolarHBondContact N-OD1 3.46Å; K58-D242 PolarHBondContact N-OD2 3.29Å; K58-D242 PolarHBondContact O-N 3.02Å; K58-L243 PolarHBondContact O-N 2.96Å |
| 59 | I | 98.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 121.2 | -173.5 | -52.1 | -177.6 | 0 | 0 | 0 | 108.5 | F56 V61 I152 V159 K160 V161 L162 L243 V245 M481 | F56-I59 HydrophobicContact CB-CD1 3.91Å; F56-I59 HydrophobicContact CB-CG1 4.06Å; I59-V61 HydrophobicContact CG2-CG2 3.71Å; I59-I152 HydrophobicContact CD1-CD1 4.01Å; I59-I152 HydrophobicContact CD1-CG2 4.08Å; I59-I152 HydrophobicContact CG2-CD1 4.35Å; I59-V159 HydrophobicContact CD1-CG1 3.59Å; I59-V159 HydrophobicContact CG1-CG1 3.77Å; I59-K160 PolarHBondContact N-O 3.11Å; I59-V161 WeakPolarHBondContact O-CA 3.2Å; I59-L162 PolarHBondContact O-N 3.02Å; I59-L243 WeakPolarHBondContact CA-O 3.41Å; I59-L243 HydrophobicContact CD1-CD2 3.97Å; I59-L243 HydrophobicContact CG1-CB 4.28Å; I59-L243 HydrophobicContact CG1-CD2 4.21Å; I59-L243 HydrophobicContact CG2-CB 4.35Å; I59-L243 HydrophobicContact CG2-CD2 3.97Å; I59-L243 HydrophobicContact CG2-CG 4.11Å; I59-V245 HydrophobicContact CG2-CG2 3.86Å; I59-M481 HydrophobicContact CD1-CE 4.12Å; I59-M481 HydrophobicContact CD1-SD 3.26Å; I59-M481 WeakPolarHBondContact CD1-SD 3.34Å |
| 60 | L | 98.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 122 | 171.9 | 179 | 65 | 0 | 0 | 0 | 108 | L162 V164 L232 T235 I236 F239 P241 L243 I244 V245 | L60-L162 HydrophobicContact CD1-CB 4.15Å; L60-L162 HydrophobicContact CD1-CD2 3.93Å; L60-L162 HydrophobicContact CD1-CG 3.91Å; L60-V164 HydrophobicContact CD1-CG2 3.79Å; L60-L232 HydrophobicContact CD1-CD1 3.94Å; L60-L232 HydrophobicContact CD2-CD1 3.86Å; L60-L232 HydrophobicContact CG-CD1 3.64Å; L60-T235 HydrophobicContact CD1-CG2 3.84Å; L60-T235 HydrophobicContact CD2-CG2 4.39Å; L60-I236 HydrophobicContact CD2-CG1 3.57Å; L60-F239 HydrophobicContact CB-CD1 4.04Å; L60-F239 HydrophobicContact CB-CE1 4.2Å; L60-F239 HydrophobicContact CD1-CD1 4.47Å; L60-P241 HydrophobicContact CB-CB 3.79Å; L60-P241 HydrophobicContact CB-CG 3.9Å; L60-P241 HydrophobicContact CD2-CG 4.23Å; L60-L243 PolarHBondContact N-O 3.25Å; L60-I244 CarbonylContact O-C 3.54Å; L60-I244 WeakPolarHBondContact O-CA 2.99Å; L60-V245 PolarHBondContact O-N 3.01Å |
| 61 | V | 98.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 133.4 | -175.1 | -172.5 | 0 | 0 | 0 | 0 | 108.9 | I59 A145 I148 A149 V161 L162 L163 V164 V245 | I59-V61 HydrophobicContact CG2-CG2 3.71Å; V61-A145 HydrophobicContact CG1-CB 3.87Å; V61-A145 WeakPolarHBondContact CG1-O 3.29Å; V61-I148 HydrophobicContact CG1-CB 4.5Å; V61-I148 HydrophobicContact CG1-CG2 4.46Å; V61-A149 HydrophobicContact CB-CB 4.16Å; V61-A149 HydrophobicContact CG1-CB 4.17Å; V61-A149 HydrophobicContact CG2-CB 4.24Å; V61-V161 HydrophobicContact CG2-CG1 3.93Å; V61-L162 PolarHBondContact N-O 2.77Å; V61-L163 HydrophobicContact CB-CD1 4.47Å; V61-L163 HydrophobicContact CG1-CD1 4.39Å; V61-L163 CarbonylContact O-C 3.58Å; V61-L163 WeakPolarHBondContact O-CA 3.45Å; V61-V164 PolarHBondContact O-N 2.93Å; V61-V245 WeakPolarHBondContact CA-O 3.42Å; V61-V245 HydrophobicContact CB-CB 4.39Å; V61-V245 HydrophobicContact CG1-CB 4.1Å; V61-V245 HydrophobicContact CG1-CG1 4.2Å; V61-V245 HydrophobicContact CG2-CB 4.16Å; V61-V245 HydrophobicContact CG2-CG2 4.35Å |
| 62 | G | 96.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.7 | 172.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | A145 V164 V245 L246 S247 | G62-A145 VanDerWaalsContact C-CB 3.45Å; G62-V164 VanDerWaalsContact CA-O 3.32Å; G62-V164 WeakPolarHBondContact CA-O 3.47Å; G62-V245 PolarHBondContact N-O 3.4Å; G62-V245 VanDerWaalsContact O-O 3.12Å; G62-L246 CarbonylContact O-C 3.57Å; G62-L246 WeakPolarHBondContact O-CA 3.29Å; G62-S247 CarbonylContact C-O 3.45Å; G62-S247 PolarHBondContact O-N 3.29Å |
| 63 | F | 93.2 | Very high | 95.2 | Very high | 3 Ų | 3 | 26.5 Ų | 26.5 | 1% | 0.013 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | cis | -127 | -5 | 3.6 | 53 | -111.9 | 0 | 0 | 0 | 115.3 | V164 G165 P166 S223 V228 I229 L232 S247 V249 I267 | F63-V164 WeakPolarHBondContact CA-O 3.31Å; F63-G165 VanDerWaalsContact O-CA 3.24Å; F63-G165 WeakPolarHBondContact O-CA 3.48Å; F63-P166 WeakPolarHBondContact O-CD 3.07Å; F63-S223 WeakPolarHBondContact CD2-O 3.49Å; F63-S223 VanDerWaalsContact CE2-O 3.29Å; F63-S223 WeakPolarHBondContact CE2-O 3.4Å; F63-V228 HydrophobicContact CB-CG1 3.73Å; F63-I229 HydrophobicContact CD1-CG1 3.91Å; F63-I229 HydrophobicContact CE1-CD1 4.19Å; F63-I229 HydrophobicContact CE1-CG1 3.63Å; F63-I229 HydrophobicContact CE2-CG1 4.38Å; F63-I229 HydrophobicContact CG-CG1 4.39Å; F63-I229 HydrophobicContact CZ-CD1 4.05Å; F63-I229 HydrophobicContact CZ-CG1 3.87Å; F63-L232 HydrophobicContact CB-CD2 4.44Å; F63-L232 HydrophobicContact CD1-CD2 4.27Å; F63-S247 PolarHBondContact N-O 3.44Å; F63-V249 HydrophobicContact CE1-CG2 4.21Å; F63-V249 HydrophobicContact CZ-CG2 4.19Å; F63-I267 HydrophobicContact CE1-CD1 4.26Å; F63-I267 HydrophobicContact CZ-CD1 4.45Å |
| 64 | N | 94.3 | Very high | 95.1 | Very high | 3 Ų | 3 | 21.7 Ų | 21.7 | 2% | 0.016 | 12% | 0.115 | C | C | . | . | trans | -81.5 | 131.6 | 175.7 | 68.2 | -42.1 | 0 | 0 | 0 | 112.4 | N144 A145 A146 S247 G248 L251 | N64-N144 PolarHBondContact ND2-N 3.16Å; N64-A145 WeakPolarHBondContact O-CB 3.28Å; N64-A145 PolarHBondContact O-N 3.25Å; N64-A145 PolarHBondContact OD1-N 2.9Å; N64-A145 VanDerWaalsContact OD1-N 3.11Å; N64-A146 PolarHBondContact O-N 3.39Å; N64-S247 PolarHBondContact OD1-O 2.89Å; N64-G248 VanDerWaalsContact CG-CA 3.4Å; N64-G248 WeakPolarHBondContact OD1-CA 3.45Å; N64-G248 PolarHBondContact OD1-N 2.89Å; N64-G248 VanDerWaalsContact OD1-N 3.14Å; N64-L251 HydrophobicContact CB-CD1 3.66Å | ||
| 65 | S | 95.7 | Very high | 95 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.11 | C | C | . | . | trans | -155.6 | 127.7 | 179 | 55.9 | 0 | 0 | 0 | 0 | 109 | G165 P166 | S65-G165 VanDerWaalsContact OG-CA 3.29Å; S65-G165 WeakPolarHBondContact OG-CA 3.5Å; S65-P166 VanDerWaalsContact O-O 3.06Å; S65-P166 VanDerWaalsContact OG-CD 3.3Å; S65-P166 WeakPolarHBondContact OG-CD 3.48Å; S65-P166 VanDerWaalsContact OG-N 3.1Å; S65-P166 PolarHBondContact OG-O 3.04Å | ||
| 66 | D | 95.1 | Very high | 94.9 | Very high | 2 Ų | 2 | 16 Ų | 16 | 1% | 0.011 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.3 | -176.4 | -170.7 | 50.7 | 87.1 | 0 | 0 | 0 | 109.5 | G142 G143 L171 E191 H193 | D66-G142 PolarHBondContact N-O 2.72Å; D66-G142 CarbonylContact O-C 3.31Å; D66-G142 VanDerWaalsContact O-C 3.3Å; D66-G142 VanDerWaalsContact O-CA 3.24Å; D66-G142 WeakPolarHBondContact O-CA 3.29Å; D66-G142 PolarHBondContact O-N 3.3Å; D66-G142 VanDerWaalsContact OD1-CA 3.24Å; D66-G142 WeakPolarHBondContact OD1-CA 3.36Å; D66-G143 PolarHBondContact OD1-N 3.23Å; D66-G143 WeakPolarHBondContact OD2-CA 3.39Å; D66-G143 PolarHBondContact OD2-N 3.47Å; D66-L171 WeakPolarHBondContact O-CD1 3.27Å; D66-E191 CarbonylContact C-O 3.54Å; D66-E191 WeakPolarHBondContact CA-O 3.38Å; D66-E191 HydrophobicContact CB-CB 3.78Å; D66-E191 WeakPolarHBondContact CB-O 3.31Å; D66-H193 IonicContact OD1-CD2 3.56Å; D66-H193 PolarHBondContact OD1-CD2 3.35Å; D66-H193 IonicContact OD1-CG 2.75Å; D66-H193 IonicContact OD1-NE2 3.67Å; D66-H193 IonicContact OD2-CD2 3.37Å; D66-H193 IonicContact OD2-NE2 3.79Å |
| 67 | V | 95.5 | Very high | 94.6 | Very high | 2 Ų | 2 | 15.4 Ų | 15.4 | 1% | 0.012 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 120.7 | 173.4 | 176.4 | 0 | 0 | 0 | 0 | 108.7 | L69 A139 K170 L171 L174 D190 E191 I192 H193 | V67-L69 PolarHBondContact O-N 3.04Å; V67-A139 HydrophobicContact CG1-CB 4.05Å; V67-K170 HydrophobicContact CG2-CB 4.01Å; V67-L171 HydrophobicContact CG2-CB 3.79Å; V67-L174 HydrophobicContact CG1-CD1 4.43Å; V67-D190 HydrophobicContact CG2-CB 3.8Å; V67-E191 PolarHBondContact N-O 3.16Å; V67-I192 HydrophobicContact CB-CD1 3.83Å; V67-I192 HydrophobicContact CG1-CD1 4.33Å; V67-I192 WeakPolarHBondContact O-CA 3.44Å; V67-H193 PolarHBondContact O-N 2.82Å |
| 68 | D | 94.7 | Very high | 94.3 | Very high | 11 Ų | 11 | 15.8 Ų | 15.8 | 6% | 0.059 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 116.5 | 170.1 | -80.4 | -9.4 | 0 | 0 | 0 | 108.2 | I70 A139 A140 G142 H193 I195 | D68-I70 HydrophobicContact CB-CG1 4.23Å; D68-A139 WeakPolarHBondContact O-CA 3.43Å; D68-A140 HydrophobicContact CB-CB 4.31Å; D68-A140 PolarHBondContact N-O 3.1Å; D68-A140 PolarHBondContact O-N 3.37Å; D68-G142 VanDerWaalsContact CG-CA 3.45Å; D68-G142 WeakPolarHBondContact OD1-CA 3.39Å; D68-H193 WeakPolarHBondContact CA-O 3.25Å; D68-I195 HydrophobicContact CB-CG1 3.86Å |
| 69 | L | 94.3 | Very high | 93.9 | Very high | 7 Ų | 7 | 14.4 Ų | 14.4 | 4% | 0.037 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 100.6 | 170 | -174.4 | 61.6 | 0 | 0 | 0 | 108.5 | V67 V127 A130 I192 H193 L194 I195 | V67-L69 PolarHBondContact O-N 3.04Å; L69-V127 HydrophobicContact CD2-CG1 4.12Å; L69-A130 HydrophobicContact CD2-CB 3.57Å; L69-A130 HydrophobicContact CG-CB 4.23Å; L69-I192 HydrophobicContact CB-CG2 3.92Å; L69-I192 HydrophobicContact CD2-CG2 4.42Å; L69-H193 PolarHBondContact N-O 3.29Å; L69-L194 HydrophobicContact CB-CD1 4.42Å; L69-L194 HydrophobicContact CD2-CD1 4.25Å; L69-L194 HydrophobicContact CG-CD1 4.32Å; L69-I195 PolarHBondContact O-N 3.37Å |
| 70 | I | 92.5 | Very high | 93.4 | Very high | 21 Ų | 21 | 16 Ų | 16 | 11% | 0.108 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 124.7 | -171.7 | -54 | 170.3 | 0 | 0 | 0 | 110.1 | D68 S137 E138 A140 I195 E197 V469 | D68-I70 HydrophobicContact CB-CG1 4.23Å; I70-S137 WeakPolarHBondContact O-CA 3.4Å; I70-E138 PolarHBondContact N-O 3.45Å; I70-E138 PolarHBondContact O-N 2.78Å; I70-E138 VanDerWaalsContact O-N 3.12Å; I70-A140 HydrophobicContact CD1-CB 3.92Å; I70-I195 HydrophobicContact CB-CB 4.47Å; I70-I195 HydrophobicContact CG1-CB 4.08Å; I70-I195 HydrophobicContact CG1-CG1 4.16Å; I70-E197 HydrophobicContact CG2-CG 3.93Å; I70-V469 HydrophobicContact CD1-CG2 4.03Å |
| 71 | V | 92.9 | Very high | 93 | Very high | 5 Ų | 5 | 22.7 Ų | 22.7 | 3% | 0.03 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 161.2 | 179.4 | -63.5 | 0 | 0 | 0 | 0 | 111.7 | G73 L76 A130 A134 L194 I195 M196 E197 | V71-G73 PolarHBondContact O-N 2.87Å; V71-L76 HydrophobicContact CG2-CB 4.41Å; V71-L76 HydrophobicContact CG2-CD2 4.09Å; V71-A130 HydrophobicContact CG1-CB 3.87Å; V71-A134 HydrophobicContact CB-CB 4.49Å; V71-A134 HydrophobicContact CG1-CB 3.9Å; V71-L194 HydrophobicContact CG2-CD1 3.78Å; V71-I195 PolarHBondContact N-O 3.04Å; V71-I195 VanDerWaalsContact O-O 3.11Å; V71-M196 HydrophobicContact CG2-CG 4.42Å; V71-E197 PolarHBondContact O-N 3.08Å |
| 72 | S | 92.3 | Very high | 92.6 | Very high | 35 Ų | 35 | 23.6 Ų | 23.6 | 25% | 0.245 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 119.5 | 166.5 | 163 | 0 | 0 | 0 | 0 | 109.5 | T74 K75 L76 | S72-T74 PolarHBondContact OG-OG1 3.43Å; S72-K75 PolarHBondContact O-N 2.8Å; S72-K75 WeakPolarHBondContact OG-CB 3.39Å; S72-K75 PolarHBondContact OG-N 2.84Å; S72-L76 WeakPolarHBondContact O-CB 3.36Å; S72-L76 PolarHBondContact O-N 3.29Å |
| 73 | G | 92.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64 | -43.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | V71 L76 L77 E197 | V71-G73 PolarHBondContact O-N 2.87Å; G73-L76 PolarHBondContact O-N 2.81Å; G73-L77 WeakPolarHBondContact O-CG 3.41Å; G73-L77 PolarHBondContact O-N 3.21Å; G73-E197 PolarHBondContact N-O 3.36Å |
| 74 | T | 92.5 | Very high | 91.8 | Very high | 14 Ų | 14 | 31 Ų | 31 | 9% | 0.086 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.8 | -43.5 | 177.7 | 56 | 0 | 0 | 0 | 0 | 111.7 | S72 T78 F103 F107 E202 W204 | S72-T74 PolarHBondContact OG-OG1 3.43Å; T74-T78 VanDerWaalsContact O-CB 3.31Å; T74-T78 WeakPolarHBondContact O-CB 3.19Å; T74-T78 PolarHBondContact O-N 3.23Å; T74-T78 PolarHBondContact O-OG1 3.07Å; T74-F103 HydrophobicContact CG2-CE1 4.37Å; T74-F103 HydrophobicContact CG2-CZ 4.4Å; T74-F107 HydrophobicContact CG2-CD2 4.22Å; T74-F107 HydrophobicContact CG2-CE2 3.55Å; T74-F107 HydrophobicContact CG2-CZ 4.2Å; T74-E202 WeakPolarHBondContact CB-OE1 3.42Å; T74-E202 HydrophobicContact CG2-CG 4.3Å; T74-E202 VanDerWaalsContact CG2-OE1 3.23Å; T74-E202 WeakPolarHBondContact CG2-OE1 3.38Å; T74-E202 PolarHBondContact OG1-OE1 2.91Å; T74-W204 HydrophobicContact CG2-CB 3.82Å; T74-W204 HydrophobicContact CG2-CG 3.92Å |
| 75 | K | 91.1 | Very high | 91.3 | Very high | 72 Ų | 72 | 33.5 Ų | 33.5 | 31% | 0.313 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -65.7 | -46.1 | 177.5 | -175.5 | 176.5 | 175.9 | -179.8 | 0 | 111.5 | S72 L77 T78 D79 S135 | S72-K75 PolarHBondContact O-N 2.8Å; S72-K75 WeakPolarHBondContact OG-CB 3.39Å; S72-K75 PolarHBondContact OG-N 2.84Å; K75-L77 VanDerWaalsContact C-N 3.34Å; K75-L77 PolarHBondContact O-N 2.99Å; K75-T78 PolarHBondContact O-N 3.39Å; K75-D79 WeakPolarHBondContact O-CB 3.42Å; K75-D79 PolarHBondContact O-N 2.96Å; K75-S135 PolarHBondContact NZ-OG 3.36Å |
| 76 | L | 91.8 | Very high | 90.9 | Very high | 4 Ų | 4 | 39.2 Ų | 39.2 | 2% | 0.021 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -56.6 | -48.6 | 177.2 | 177.1 | 66.4 | 0 | 0 | 0 | 111.3 | V71 S72 G73 D79 L80 Q129 A130 L194 M196 | V71-L76 HydrophobicContact CG2-CB 4.41Å; V71-L76 HydrophobicContact CG2-CD2 4.09Å; S72-L76 WeakPolarHBondContact O-CB 3.36Å; S72-L76 PolarHBondContact O-N 3.29Å; G73-L76 PolarHBondContact O-N 2.81Å; L76-D79 PolarHBondContact O-N 2.7Å; L76-L80 HydrophobicContact CD1-CD1 4.2Å; L76-L80 HydrophobicContact CG-CD1 4Å; L76-L80 WeakPolarHBondContact O-CD1 3.28Å; L76-L80 WeakPolarHBondContact O-CG 3.37Å; L76-L80 PolarHBondContact O-N 2.74Å; L76-L80 VanDerWaalsContact O-N 3.09Å; L76-Q129 HydrophobicContact CD1-CB 4.27Å; L76-A130 HydrophobicContact CD1-CB 4.43Å; L76-L194 HydrophobicContact CD2-CD2 3.8Å; L76-M196 HydrophobicContact CD2-CE 4.2Å; L76-M196 HydrophobicContact CD2-CG 4.25Å; L76-M196 HydrophobicContact CD2-SD 4.24Å |
| 77 | L | 92.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.5 | -37.3 | 179.2 | -67.2 | 178 | 0 | 0 | 0 | 112.2 | G73 K75 L80 N81 V82 L99 F103 M196 W204 | G73-L77 WeakPolarHBondContact O-CG 3.41Å; G73-L77 PolarHBondContact O-N 3.21Å; K75-L77 VanDerWaalsContact C-N 3.34Å; K75-L77 PolarHBondContact O-N 2.99Å; L77-L80 HydrophobicContact CD2-CD1 4.28Å; L77-L80 CarbonylContact O-C 3.52Å; L77-L80 WeakPolarHBondContact O-CB 3.44Å; L77-L80 PolarHBondContact O-N 3.3Å; L77-N81 PolarHBondContact O-N 3.47Å; L77-V82 HydrophobicContact CB-CB 4.19Å; L77-V82 HydrophobicContact CB-CG1 4.47Å; L77-V82 HydrophobicContact CD2-CB 4.34Å; L77-V82 HydrophobicContact CD2-CG1 4.25Å; L77-V82 WeakPolarHBondContact O-CB 3.48Å; L77-V82 PolarHBondContact O-N 3.02Å; L77-L99 HydrophobicContact CD2-CD2 4.17Å; L77-F103 HydrophobicContact CD1-CB 4.16Å; L77-F103 HydrophobicContact CD1-CD1 3.24Å; L77-F103 HydrophobicContact CD1-CE1 3.75Å; L77-F103 HydrophobicContact CD1-CG 3.77Å; L77-M196 HydrophobicContact CD1-CE 3.83Å; L77-M196 HydrophobicContact CD2-CE 4.04Å; L77-M196 HydrophobicContact CG-CE 3.67Å; L77-W204 HydrophobicContact CB-CZ2 3.97Å; L77-W204 HydrophobicContact CD1-CH2 3.42Å; L77-W204 VanDerWaalsContact CD1-CH2 3.42Å; L77-W204 HydrophobicContact CD1-CZ2 3.38Å; L77-W204 HydrophobicContact CD1-CZ3 4.27Å; L77-W204 HydrophobicContact CG-CZ2 4.32Å |
| 78 | T | 90.3 | Very high | 90.1 | Very high | 64 Ų | 64 | 41.9 Ų | 41.9 | 39% | 0.393 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63 | -42.7 | 174.4 | -56.9 | 0 | 0 | 0 | 0 | 111.4 | T74 K75 L80 N81 | T74-T78 VanDerWaalsContact O-CB 3.31Å; T74-T78 WeakPolarHBondContact O-CB 3.19Å; T74-T78 PolarHBondContact O-N 3.23Å; T74-T78 PolarHBondContact O-OG1 3.07Å; K75-T78 PolarHBondContact O-N 3.39Å; T78-L80 PolarHBondContact O-N 3.06Å; T78-N81 WeakPolarHBondContact O-CA 3.39Å; T78-N81 PolarHBondContact O-N 3.3Å |
| 79 | D | 88.4 | Confident | 89.7 | Confident | 60 Ų | 60 | 45.2 Ų | 45.2 | 32% | 0.321 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -66 | -24.2 | 176.9 | -69.6 | -17.8 | 0 | 0 | 0 | 112.5 | K75 L76 N81 | K75-D79 WeakPolarHBondContact O-CB 3.42Å; K75-D79 PolarHBondContact O-N 2.96Å; L76-D79 PolarHBondContact O-N 2.7Å; D79-N81 VanDerWaalsContact C-N 3.28Å |
| 80 | L | 89.3 | Confident | 89.3 | Confident | 33 Ų | 33 | 47 Ų | 47 | 17% | 0.173 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -0.2 | 171.5 | -75.7 | 160.7 | 0 | 0 | 0 | 113.4 | L76 L77 T78 V82 I96 L126 | L76-L80 HydrophobicContact CD1-CD1 4.2Å; L76-L80 HydrophobicContact CG-CD1 4Å; L76-L80 WeakPolarHBondContact O-CD1 3.28Å; L76-L80 WeakPolarHBondContact O-CG 3.37Å; L76-L80 PolarHBondContact O-N 2.74Å; L76-L80 VanDerWaalsContact O-N 3.09Å; L77-L80 HydrophobicContact CD2-CD1 4.28Å; L77-L80 CarbonylContact O-C 3.52Å; L77-L80 WeakPolarHBondContact O-CB 3.44Å; L77-L80 PolarHBondContact O-N 3.3Å; T78-L80 PolarHBondContact O-N 3.06Å; L80-V82 HydrophobicContact CB-CB 4.46Å; L80-V82 HydrophobicContact CB-CG2 3.77Å; L80-V82 PolarHBondContact O-N 2.99Å; L80-I96 HydrophobicContact CD1-CD1 4.07Å; L80-L126 HydrophobicContact CD1-CD2 3.76Å |
| 81 | N | 89 | Confident | 88.9 | Confident | 140 Ų | 140 | 49.9 Ų | 49.9 | 75% | 0.749 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | 30.4 | -170.4 | -57.3 | -66.8 | 0 | 0 | 0 | 113.7 | L77 T78 D79 | L77-N81 PolarHBondContact O-N 3.47Å; T78-N81 WeakPolarHBondContact O-CA 3.39Å; T78-N81 PolarHBondContact O-N 3.3Å; D79-N81 VanDerWaalsContact C-N 3.28Å |
| 82 | V | 90.2 | Very high | 88.6 | Confident | 19 Ų | 19 | 53 Ų | 53 | 12% | 0.115 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -95.7 | 117.3 | 178.6 | 176.9 | 0 | 0 | 0 | 0 | 108.6 | L77 L80 I96 E100 | L77-V82 HydrophobicContact CB-CB 4.19Å; L77-V82 HydrophobicContact CB-CG1 4.47Å; L77-V82 HydrophobicContact CD2-CB 4.34Å; L77-V82 HydrophobicContact CD2-CG1 4.25Å; L77-V82 WeakPolarHBondContact O-CB 3.48Å; L77-V82 PolarHBondContact O-N 3.02Å; L80-V82 HydrophobicContact CB-CB 4.46Å; L80-V82 HydrophobicContact CB-CG2 3.77Å; L80-V82 PolarHBondContact O-N 2.99Å; V82-I96 HydrophobicContact CG2-CD1 4.22Å; V82-I96 HydrophobicContact CG2-CG1 3.56Å; V82-E100 HydrophobicContact CG1-CB 3.56Å; V82-E100 HydrophobicContact CG1-CG 3.32Å |
| 83 | M | 87.2 | Confident | 88.6 | Confident | 125 Ų | 125 | 51.3 Ų | 51.3 | 62% | 0.616 | 29% | 0.287 | S | S | * | . | P | Polyproline II helix | trans | -98.4 | 147 | 176.5 | -65.9 | -64.4 | 150.7 | 0 | 0 | 110.1 | S85 | M83-S85 PolarHBondContact O-N 2.87Š|
| 84 | P | 84.9 | Confident | 88.6 | Confident | 33 Ų | 33 | 53.5 Ų | 53.5 | 21% | 0.214 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -63.1 | 133.5 | 179.2 | 24.7 | -31.4 | 0 | 0 | 0 | 110.3 | E100 W204 Y207 | P84-E100 VanDerWaalsContact CA-OE1 3.3Å; P84-E100 WeakPolarHBondContact CA-OE1 3.48Å; P84-W204 HydrophobicContact CB-CD2 3.95Å; P84-W204 HydrophobicContact CB-CE3 3.96Å; P84-W204 HydrophobicContact CB-CH2 4.08Å; P84-W204 HydrophobicContact CB-CZ2 4.09Å; P84-W204 HydrophobicContact CB-CZ3 4.02Å; P84-W204 HydrophobicContact CG-CD2 4.19Å; P84-W204 HydrophobicContact CG-CG 4.38Å; P84-Y207 HydrophobicContact CB-CD2 4.09Å; P84-Y207 HydrophobicContact CB-CE2 4.07Å |
| 85 | S | 83.7 | Confident | 88.6 | Confident | 57 Ų | 57 | 55.7 Ų | 55.7 | 40% | 0.399 | 32% | 0.316 | S | S | . | . | trans | -117.6 | -100.8 | 176.8 | 77.4 | 0 | 0 | 0 | 0 | 110.6 | M83 E100 Y207 | M83-S85 PolarHBondContact O-N 2.87Å; S85-E100 WeakPolarHBondContact CB-OE2 3.46Å; S85-E100 VanDerWaalsContact N-CD 3.33Å; S85-E100 PolarHBondContact N-OE1 2.99Å; S85-E100 PolarHBondContact N-OE2 2.98Å; S85-E100 PolarHBondContact OG-OE2 3.49Å; S85-Y207 PolarHBondContact O-OH 2.83Å | ||
| 86 | I | 87.3 | Confident | 88.8 | Confident | 119 Ų | 119 | 55.2 Ų | 55.2 | 61% | 0.61 | 32% | 0.316 | S | S | * | . | trans | -110.7 | 133.7 | -176.6 | -59.1 | 173.5 | 0 | 0 | 0 | 108.9 | A88 E101 | I86-A88 PolarHBondContact O-N 2.88Å; I86-A88 VanDerWaalsContact O-N 3.15Å; I86-E101 WeakPolarHBondContact O-CA 3.39Å; I86-E101 WeakPolarHBondContact O-CB 3.45Å; I86-E101 WeakPolarHBondContact O-CG 3.44Å | ||
| 87 | A | 86.2 | Confident | 88.8 | Confident | 33 Ų | 33 | 60.5 Ų | 60.5 | 27% | 0.273 | 34% | 0.341 | S | S | . | . | trans | -72.9 | 103.6 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | L105 Y207 | A87-L105 HydrophobicContact CB-CB 4.17Å; A87-L105 HydrophobicContact CB-CD1 3.94Å; A87-Y207 PolarHBondContact N-OH 2.81Å | ||
| 88 | A | 88.4 | Confident | 88.9 | Confident | 28 Ų | 28 | 62.5 Ų | 62.5 | 23% | 0.231 | 35% | 0.35 | C | S | . | . | trans | -129.7 | 153.6 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | I86 E101 V102 | I86-A88 PolarHBondContact O-N 2.88Å; I86-A88 VanDerWaalsContact O-N 3.15Å; A88-E101 HydrophobicContact CB-CB 4.07Å; A88-E101 PolarHBondContact N-O 2.74Å; A88-E101 CarbonylContact O-C 3.18Å; A88-E101 VanDerWaalsContact O-C 3.31Å; A88-E101 VanDerWaalsContact O-O 3.09Å; A88-V102 WeakPolarHBondContact O-CA 3.49Å; A88-V102 PolarHBondContact O-N 2.99Å | ||
| 89 | S | 85.7 | Confident | 89.2 | Confident | 80 Ų | 80 | 59.4 Ų | 59.4 | 56% | 0.559 | 33% | 0.331 | S | S | * | . | trans | -101.1 | 128 | 178.2 | -175.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 90 | H | 87.3 | Confident | 89.5 | Confident | 45 Ų | 45 | 56.8 Ų | 56.8 | 21% | 0.208 | 32% | 0.317 | C | S | . | . | trans | -116.7 | 151.3 | 168.4 | -61.9 | -80.4 | 0 | 0 | 0 | 109.5 | D92 E101 V102 R115 | H90-D92 WeakPolarHBondContact CB-O 3.43Å; H90-E101 IonicContact CD2-OE2 3.7Å; H90-E101 IonicContact CE1-OE2 3.54Å; H90-E101 IonicContact NE2-OE2 2.67Å; H90-E101 PolarHBondContact NE2-OE2 3.11Å; H90-V102 HydrophobicContact CB-CG2 3.76Å; H90-R115 WeakPolarHBondContact O-CD 3.47Å; H90-R115 PolarHBondContact O-NE 3.34Å | ||
| 91 | H | 82.6 | Confident | 89.7 | Confident | 81 Ų | 81 | 56.4 Ų | 56.4 | 38% | 0.375 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -80.5 | -43.3 | 176.5 | -179.2 | -82.2 | 0 | 0 | 0 | 110.8 | R115 | H91-R115 VanDerWaalsContact O-CD 3.31Å; H91-R115 WeakPolarHBondContact O-CD 3.5Å |
| 92 | D | 86.7 | Confident | 90 | Very high | 70 Ų | 70 | 49.8 Ų | 49.8 | 37% | 0.374 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 157.6 | 175.9 | 58.2 | -49.8 | 0 | 0 | 0 | 110.4 | H90 Y116 | H90-D92 WeakPolarHBondContact CB-O 3.43Å; D92-Y116 WeakPolarHBondContact CA-O 3.38Å |
| 93 | I | 92.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 116.1 | -177.5 | -63.7 | 169.7 | 0 | 0 | 0 | 108.7 | T95 Q98 L99 R115 Y116 V117 S118 L122 F215 | I93-T95 WeakPolarHBondContact CG2-O 3.37Å; I93-Q98 HydrophobicContact CG2-CB 4.28Å; I93-L99 HydrophobicContact CD1-CB 4.48Å; I93-L99 HydrophobicContact CD1-CD1 3.81Å; I93-L99 HydrophobicContact CG2-CB 3.9Å; I93-R115 HydrophobicContact CD1-CB 3.63Å; I93-R115 HydrophobicContact CD1-CG 4.26Å; I93-R115 HydrophobicContact CG1-CB 4.15Å; I93-Y116 PolarHBondContact N-O 3.12Å; I93-V117 HydrophobicContact CB-CG2 3.87Å; I93-V117 HydrophobicContact CD1-CG2 4.48Å; I93-V117 HydrophobicContact CG2-CG2 3.93Å; I93-V117 CarbonylContact O-C 3.58Å; I93-V117 VanDerWaalsContact O-CA 3.23Å; I93-V117 WeakPolarHBondContact O-CA 3.38Å; I93-S118 PolarHBondContact O-N 3Å; I93-S118 PolarHBondContact O-OG 3.41Å; I93-L122 HydrophobicContact CG2-CD2 4.32Å; I93-F215 HydrophobicContact CD1-CE1 4.29Å; I93-F215 HydrophobicContact CD1-CZ 3.83Å |
| 94 | S | 93.1 | Very high | 90.5 | Very high | 47 Ų | 47 | 43 Ų | 43 | 33% | 0.329 | 25% | 0.245 | S | C | . | . | trans | -112.2 | -13.5 | 176.6 | 66.6 | 0 | 0 | 0 | 0 | 113 | Q98 S118 | S94-Q98 PolarHBondContact OG-OE1 2.94Å; S94-S118 WeakPolarHBondContact CB-OG 3.28Å | ||
| 95 | T | 94.1 | Very high | 90.8 | Very high | 60 Ų | 60 | 42.4 Ų | 42.4 | 37% | 0.368 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -139.2 | 157.2 | -176.2 | 63.1 | 0 | 0 | 0 | 0 | 111.1 | I93 Q97 Q98 L99 | I93-T95 WeakPolarHBondContact CG2-O 3.37Å; T95-Q97 PolarHBondContact O-N 3.04Å; T95-Q98 PolarHBondContact O-N 2.94Å; T95-Q98 WeakPolarHBondContact OG1-CG 3.44Å; T95-Q98 PolarHBondContact OG1-N 3.47Å; T95-L99 PolarHBondContact O-N 2.96Å; T95-L99 VanDerWaalsContact O-N 3.15Å |
| 96 | I | 93.6 | Very high | 91.2 | Very high | 61 Ų | 61 | 40 Ų | 40 | 31% | 0.313 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.2 | -31.3 | 175.4 | -166.6 | 66.5 | 0 | 0 | 0 | 112.6 | L80 V82 L99 E100 L122 L126 | L80-I96 HydrophobicContact CD1-CD1 4.07Å; V82-I96 HydrophobicContact CG2-CD1 4.22Å; V82-I96 HydrophobicContact CG2-CG1 3.56Å; I96-L99 HydrophobicContact CD1-CD2 3.91Å; I96-L99 WeakPolarHBondContact O-CB 3.36Å; I96-L99 PolarHBondContact O-N 3.47Å; I96-E100 PolarHBondContact O-N 3.27Å; I96-L122 HydrophobicContact CB-CD1 4.5Å; I96-L126 HydrophobicContact CD1-CD2 3.99Å |
| 97 | Q | 93.1 | Very high | 91.5 | Very high | 116 Ų | 116 | 34.3 Ų | 34.3 | 54% | 0.542 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -66 | -43.6 | 175.8 | -176 | -178 | -10.6 | 0 | 0 | 111.1 | T95 L99 E100 E101 | T95-Q97 PolarHBondContact O-N 3.04Å; Q97-L99 VanDerWaalsContact C-N 3.31Å; Q97-L99 PolarHBondContact O-N 3.45Å; Q97-E100 WeakPolarHBondContact O-CB 3.42Å; Q97-E100 PolarHBondContact O-N 3.5Å; Q97-E101 HydrophobicContact CG-CG 4.43Å; Q97-E101 WeakPolarHBondContact CG-OE1 3.26Å; Q97-E101 PolarHBondContact NE2-OE1 2.93Å; Q97-E101 VanDerWaalsContact O-CG 3.32Å; Q97-E101 WeakPolarHBondContact O-CG 3.47Å; Q97-E101 PolarHBondContact O-N 3.29Å |
| 98 | Q | 94.9 | Very high | 91.8 | Very high | 41 Ų | 41 | 34.6 Ų | 34.6 | 19% | 0.192 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.7 | -37.7 | 175.6 | -73 | 175.3 | -39.6 | 0 | 0 | 112.1 | I93 S94 T95 E101 V102 | I93-Q98 HydrophobicContact CG2-CB 4.28Å; S94-Q98 PolarHBondContact OG-OE1 2.94Å; T95-Q98 PolarHBondContact O-N 2.94Å; T95-Q98 WeakPolarHBondContact OG1-CG 3.44Å; T95-Q98 PolarHBondContact OG1-N 3.47Å; Q98-E101 PolarHBondContact O-N 3.5Å; Q98-V102 WeakPolarHBondContact O-CG2 3.46Å; Q98-V102 PolarHBondContact O-N 3.37Å; Q98-V102 VanDerWaalsContact O-N 3.1Å |
| 99 | L | 95 | Very high | 91.8 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.1 | -48.4 | 173.4 | 178.8 | 65.7 | 0 | 0 | 0 | 111 | L77 I93 T95 I96 Q97 F103 L126 M196 F215 T217 | L77-L99 HydrophobicContact CD2-CD2 4.17Å; I93-L99 HydrophobicContact CD1-CB 4.48Å; I93-L99 HydrophobicContact CD1-CD1 3.81Å; I93-L99 HydrophobicContact CG2-CB 3.9Å; T95-L99 PolarHBondContact O-N 2.96Å; T95-L99 VanDerWaalsContact O-N 3.15Å; I96-L99 HydrophobicContact CD1-CD2 3.91Å; I96-L99 WeakPolarHBondContact O-CB 3.36Å; I96-L99 PolarHBondContact O-N 3.47Å; Q97-L99 VanDerWaalsContact C-N 3.31Å; Q97-L99 PolarHBondContact O-N 3.45Å; L99-F103 WeakPolarHBondContact O-CB 3.48Å; L99-F103 PolarHBondContact O-N 3.14Å; L99-L126 HydrophobicContact CD2-CD1 3.72Å; L99-L126 HydrophobicContact CD2-CD2 3.65Å; L99-L126 HydrophobicContact CD2-CG 4.36Å; L99-M196 HydrophobicContact CD1-SD 4.32Å; L99-F215 HydrophobicContact CD1-CD1 4.32Å; L99-F215 HydrophobicContact CD1-CE1 3.51Å; L99-F215 HydrophobicContact CD1-CZ 4.28Å; L99-T217 HydrophobicContact CD1-CG2 4.36Å |
| 100 | E | 94.7 | Very high | 91.9 | Very high | 5 Ų | 5 | 36.9 Ų | 36.9 | 2% | 0.023 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -55.7 | -52.2 | 176.3 | -174.6 | -75.9 | 118.9 | 0 | 0 | 111.3 | V82 P84 S85 I96 Q97 V102 F103 S104 W204 | V82-E100 HydrophobicContact CG1-CB 3.56Å; V82-E100 HydrophobicContact CG1-CG 3.32Å; P84-E100 VanDerWaalsContact CA-OE1 3.3Å; P84-E100 WeakPolarHBondContact CA-OE1 3.48Å; S85-E100 WeakPolarHBondContact CB-OE2 3.46Å; S85-E100 VanDerWaalsContact N-CD 3.33Å; S85-E100 PolarHBondContact N-OE1 2.99Å; S85-E100 PolarHBondContact N-OE2 2.98Å; S85-E100 PolarHBondContact OG-OE2 3.49Å; I96-E100 PolarHBondContact O-N 3.27Å; Q97-E100 WeakPolarHBondContact O-CB 3.42Å; Q97-E100 PolarHBondContact O-N 3.5Å; E100-V102 PolarHBondContact O-N 3.05Å; E100-F103 PolarHBondContact O-N 2.77Å; E100-S104 WeakPolarHBondContact O-CB 3.37Å; E100-S104 PolarHBondContact O-N 3.42Å; E100-S104 PolarHBondContact O-OG 2.96Å; E100-S104 PolarHBondContact OE1-OG 3.21Å; E100-W204 HydrophobicContact CG-CH2 3.84Å; E100-W204 HydrophobicContact CG-CZ2 4.31Å |
| 101 | E | 95.1 | Very high | 91.8 | Very high | 24 Ų | 24 | 37 Ų | 37 | 11% | 0.112 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.3 | -41.1 | -174.5 | -70.2 | 175.8 | -171.2 | 0 | 0 | 112.4 | I86 A88 H90 Q97 Q98 S104 L105 | I86-E101 WeakPolarHBondContact O-CA 3.39Å; I86-E101 WeakPolarHBondContact O-CB 3.45Å; I86-E101 WeakPolarHBondContact O-CG 3.44Å; A88-E101 HydrophobicContact CB-CB 4.07Å; A88-E101 PolarHBondContact N-O 2.74Å; A88-E101 CarbonylContact O-C 3.18Å; A88-E101 VanDerWaalsContact O-C 3.31Å; A88-E101 VanDerWaalsContact O-O 3.09Å; H90-E101 IonicContact CD2-OE2 3.7Å; H90-E101 IonicContact CE1-OE2 3.54Å; H90-E101 IonicContact NE2-OE2 2.67Å; H90-E101 PolarHBondContact NE2-OE2 3.11Å; Q97-E101 HydrophobicContact CG-CG 4.43Å; Q97-E101 WeakPolarHBondContact CG-OE1 3.26Å; Q97-E101 PolarHBondContact NE2-OE1 2.93Å; Q97-E101 VanDerWaalsContact O-CG 3.32Å; Q97-E101 WeakPolarHBondContact O-CG 3.47Å; Q97-E101 PolarHBondContact O-N 3.29Å; Q98-E101 PolarHBondContact O-N 3.5Å; E101-S104 WeakPolarHBondContact O-CB 3.36Å; E101-L105 PolarHBondContact O-N 3.4Å; E101-L105 VanDerWaalsContact O-N 3.08Å |
| 102 | V | 93.3 | Very high | 92 | Very high | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.012 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -73 | -38.8 | 176.6 | -172.8 | 0 | 0 | 0 | 0 | 111.5 | A88 H90 Q98 E100 L105 S106 R115 F215 | A88-V102 WeakPolarHBondContact O-CA 3.49Å; A88-V102 PolarHBondContact O-N 2.99Å; H90-V102 HydrophobicContact CB-CG2 3.76Å; Q98-V102 WeakPolarHBondContact O-CG2 3.46Å; Q98-V102 PolarHBondContact O-N 3.37Å; Q98-V102 VanDerWaalsContact O-N 3.1Å; E100-V102 PolarHBondContact O-N 3.05Å; V102-L105 WeakPolarHBondContact O-CB 3.43Å; V102-L105 PolarHBondContact O-N 3.27Å; V102-S106 PolarHBondContact O-N 3.42Å; V102-R115 HydrophobicContact CG1-CG 3.98Å; V102-F215 HydrophobicContact CB-CE2 4.2Å; V102-F215 HydrophobicContact CB-CZ 4.34Å; V102-F215 HydrophobicContact CG1-CD2 4.36Å; V102-F215 HydrophobicContact CG1-CE2 3.49Å; V102-F215 VanDerWaalsContact CG1-CE2 3.49Å; V102-F215 HydrophobicContact CG1-CZ 4.06Å |
| 103 | F | 95.2 | Very high | 92 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.1 | -44.5 | 174.5 | -179.8 | -98.7 | 0 | 0 | 0 | 110.7 | T74 L77 L99 E100 L105 S106 F107 M196 F198 W204 F215 | T74-F103 HydrophobicContact CG2-CE1 4.37Å; T74-F103 HydrophobicContact CG2-CZ 4.4Å; L77-F103 HydrophobicContact CD1-CB 4.16Å; L77-F103 HydrophobicContact CD1-CD1 3.24Å; L77-F103 HydrophobicContact CD1-CE1 3.75Å; L77-F103 HydrophobicContact CD1-CG 3.77Å; L99-F103 WeakPolarHBondContact O-CB 3.48Å; L99-F103 PolarHBondContact O-N 3.14Å; E100-F103 PolarHBondContact O-N 2.77Å; F103-L105 VanDerWaalsContact C-N 3.27Å; F103-L105 PolarHBondContact O-N 2.93Å; F103-S106 PolarHBondContact O-N 3.42Å; F103-S106 VanDerWaalsContact O-N 3.15Å; F103-F107 HydrophobicContact CE1-CB 4.38Å; F103-F107 HydrophobicContact CE1-CD2 4.07Å; F103-F107 AromaticContact CZ-CD2 4Å; F103-F107 HydrophobicContact CZ-CD2 4Å; F103-F107 WeakPolarHBondContact O-CB 3.27Å; F103-F107 PolarHBondContact O-N 2.99Å; F103-M196 HydrophobicContact CD2-CB 4.22Å; F103-M196 HydrophobicContact CD2-CE 3.69Å; F103-M196 HydrophobicContact CD2-SD 4.31Å; F103-M196 HydrophobicContact CE2-CB 3.87Å; F103-M196 HydrophobicContact CE2-CE 3.91Å; F103-M196 HydrophobicContact CG-CE 4.04Å; F103-M196 HydrophobicContact CZ-CE 4.43Å; F103-F198 AromaticContact CE2-CD1 3.84Å; F103-F198 HydrophobicContact CE2-CD1 3.84Å; F103-F198 HydrophobicContact CE2-CE1 4.26Å; F103-F198 AromaticContact CZ-CD1 3.99Å; F103-F198 HydrophobicContact CZ-CD1 3.99Å; F103-W204 AromaticContact CD1-CE3 3.8Å; F103-W204 HydrophobicContact CD1-CE3 3.8Å; F103-W204 AromaticContact CD1-CH2 3.61Å; F103-W204 HydrophobicContact CD1-CH2 3.61Å; F103-W204 HydrophobicContact CD1-CZ2 4.36Å; F103-W204 AromaticContact CD1-CZ3 3.28Å; F103-W204 HydrophobicContact CD1-CZ3 3.28Å; F103-W204 HydrophobicContact CE1-CD2 4.19Å; F103-W204 AromaticContact CE1-CE3 3.72Å; F103-W204 HydrophobicContact CE1-CE3 3.72Å; F103-W204 HydrophobicContact CE1-CH2 4.19Å; F103-W204 AromaticContact CE1-CZ3 3.72Å; F103-W204 HydrophobicContact CE1-CZ3 3.72Å; F103-W204 HydrophobicContact CG-CZ3 4.44Å; F103-F215 HydrophobicContact CD2-CB 3.58Å; F103-F215 HydrophobicContact CD2-CD1 4.12Å; F103-F215 AromaticContact CD2-CG 3.97Å; F103-F215 HydrophobicContact CD2-CG 3.97Å; F103-F215 HydrophobicContact CE2-CB 4.06Å |
| 104 | S | 94.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -53.4 | -41.8 | 171.4 | -89.7 | 0 | 0 | 0 | 0 | 112.3 | E100 E101 S108 W204 | E100-S104 WeakPolarHBondContact O-CB 3.37Å; E100-S104 PolarHBondContact O-N 3.42Å; E100-S104 PolarHBondContact O-OG 2.96Å; E100-S104 PolarHBondContact OE1-OG 3.21Å; E101-S104 WeakPolarHBondContact O-CB 3.36Å; S104-S108 VanDerWaalsContact O-CB 3.25Å; S104-S108 WeakPolarHBondContact O-CB 3.39Å; S104-S108 PolarHBondContact O-N 2.95Å; S104-S108 PolarHBondContact O-OG 3.49Å; S104-W204 WeakPolarHBondContact OG-CZ3 3.23Å |
| 105 | L | 91.7 | Very high | 91.8 | Very high | 22 Ų | 22 | 33.2 Ų | 33.2 | 12% | 0.115 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -67.6 | -43.9 | 176.8 | -172.1 | 67.7 | 0 | 0 | 0 | 112.9 | A87 E101 V102 F103 S108 R109 | A87-L105 HydrophobicContact CB-CB 4.17Å; A87-L105 HydrophobicContact CB-CD1 3.94Å; E101-L105 PolarHBondContact O-N 3.4Å; E101-L105 VanDerWaalsContact O-N 3.08Å; V102-L105 WeakPolarHBondContact O-CB 3.43Å; V102-L105 PolarHBondContact O-N 3.27Å; F103-L105 VanDerWaalsContact C-N 3.27Å; F103-L105 PolarHBondContact O-N 2.93Å; L105-S108 PolarHBondContact O-OG 3.44Å; L105-R109 VanDerWaalsContact CD1-CZ 3.44Å; L105-R109 WeakPolarHBondContact O-CB 3.15Å; L105-R109 WeakPolarHBondContact O-CG 3.35Å; L105-R109 PolarHBondContact O-N 3.03Å |
| 106 | S | 91.6 | Very high | 91.7 | Very high | 6 Ų | 6 | 32.6 Ų | 32.6 | 4% | 0.042 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.8 | -45.6 | 176.4 | 174 | 0 | 0 | 0 | 0 | 111.1 | V102 F103 R109 G110 L111 | V102-S106 PolarHBondContact O-N 3.42Å; F103-S106 PolarHBondContact O-N 3.42Å; F103-S106 VanDerWaalsContact O-N 3.15Å; S106-R109 PolarHBondContact O-N 3.37Å; S106-G110 WeakPolarHBondContact O-CA 3.44Å; S106-G110 PolarHBondContact O-N 3.12Å; S106-L111 PolarHBondContact O-N 3.26Å; S106-L111 PolarHBondContact OG-O 3.31Å |
| 107 | F | 94 | Very high | 91.7 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.7 | -53.6 | -179.5 | -173.3 | -86.1 | 0 | 0 | 0 | 112 | T74 F103 R109 G110 F198 E202 W204 A209 P210 | T74-F107 HydrophobicContact CG2-CD2 4.22Å; T74-F107 HydrophobicContact CG2-CE2 3.55Å; T74-F107 HydrophobicContact CG2-CZ 4.2Å; F103-F107 HydrophobicContact CE1-CB 4.38Å; F103-F107 HydrophobicContact CE1-CD2 4.07Å; F103-F107 AromaticContact CZ-CD2 4Å; F103-F107 HydrophobicContact CZ-CD2 4Å; F103-F107 WeakPolarHBondContact O-CB 3.27Å; F103-F107 PolarHBondContact O-N 2.99Å; F107-R109 PolarHBondContact O-N 3.44Å; F107-G110 PolarHBondContact O-N 3.23Å; F107-F198 HydrophobicContact CB-CE1 4.47Å; F107-F198 HydrophobicContact CB-CZ 4.47Å; F107-F198 HydrophobicContact CD2-CB 3.68Å; F107-F198 AromaticContact CD2-CD1 3.91Å; F107-F198 HydrophobicContact CD2-CD1 3.91Å; F107-F198 AromaticContact CD2-CD2 3.82Å; F107-F198 HydrophobicContact CD2-CD2 3.82Å; F107-F198 HydrophobicContact CD2-CE1 4.48Å; F107-F198 HydrophobicContact CD2-CE2 4.38Å; F107-F198 AromaticContact CD2-CG 3.53Å; F107-F198 HydrophobicContact CD2-CG 3.53Å; F107-F198 HydrophobicContact CE2-CB 3.63Å; F107-F198 HydrophobicContact CE2-CD2 4.21Å; F107-F198 AromaticContact CE2-CG 3.97Å; F107-F198 HydrophobicContact CE2-CG 3.97Å; F107-E202 HydrophobicContact CE2-CB 4.4Å; F107-E202 HydrophobicContact CE2-CG 4.3Å; F107-E202 HydrophobicContact CZ-CB 4.24Å; F107-E202 HydrophobicContact CZ-CG 4.27Å; F107-E202 VanDerWaalsContact CZ-O 3.25Å; F107-E202 WeakPolarHBondContact CZ-O 3.24Å; F107-W204 HydrophobicContact CD1-CB 4.41Å; F107-W204 HydrophobicContact CE1-CB 3.82Å; F107-W204 HydrophobicContact CE2-CB 4.16Å; F107-W204 HydrophobicContact CG-CE3 4.5Å; F107-W204 HydrophobicContact CZ-CB 3.67Å; F107-A209 HydrophobicContact CD1-CB 4.4Å; F107-A209 HydrophobicContact CD2-CB 4.34Å; F107-A209 HydrophobicContact CE1-CB 4.05Å; F107-A209 HydrophobicContact CE2-CB 4Å; F107-A209 HydrophobicContact CZ-CB 3.85Å; F107-P210 WeakPolarHBondContact O-CD 3.38Å |
| 108 | S | 91.8 | Very high | 91.6 | Very high | 38 Ų | 38 | 26.3 Ų | 26.3 | 27% | 0.266 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -62.7 | -28.3 | -178.8 | 58.8 | 0 | 0 | 0 | 0 | 113.5 | S104 L105 | S104-S108 VanDerWaalsContact O-CB 3.25Å; S104-S108 WeakPolarHBondContact O-CB 3.39Å; S104-S108 PolarHBondContact O-N 2.95Å; S104-S108 PolarHBondContact O-OG 3.49Å; L105-S108 PolarHBondContact O-OG 3.44Å |
| 109 | R | 88.9 | Confident | 91.5 | Very high | 147 Ų | 147 | 27.1 Ų | 27.1 | 56% | 0.555 | 14% | 0.142 | S | C | * | . | H | α-helix | trans | -94.3 | -17.2 | 178.4 | -65.7 | 180 | 175.7 | 178.8 | 0.4 | 113.8 | L105 S106 F107 L111 P210 | L105-R109 VanDerWaalsContact CD1-CZ 3.44Å; L105-R109 WeakPolarHBondContact O-CB 3.15Å; L105-R109 WeakPolarHBondContact O-CG 3.35Å; L105-R109 PolarHBondContact O-N 3.03Å; S106-R109 PolarHBondContact O-N 3.37Å; F107-R109 PolarHBondContact O-N 3.44Å; R109-L111 HydrophobicContact CB-CB 4.38Å; R109-L111 HydrophobicContact CB-CD1 4.18Å; R109-L111 HydrophobicContact CB-CG 4.05Å; R109-L111 PolarHBondContact O-N 3.17Å; R109-P210 VanDerWaalsContact C-CG 3.44Å; R109-P210 WeakPolarHBondContact O-CG 3.21Å |
| 110 | G | 87.8 | Confident | 91.4 | Very high | 9 Ų | 9 | 30.1 Ų | 30.1 | 9% | 0.093 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.3 | 27.6 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | S106 F107 | S106-G110 WeakPolarHBondContact O-CA 3.44Å; S106-G110 PolarHBondContact O-N 3.12Å; F107-G110 PolarHBondContact O-N 3.23Å |
| 111 | L | 84.4 | Confident | 91.4 | Very high | 49 Ų | 49 | 35.5 Ų | 35.5 | 26% | 0.257 | 19% | 0.191 | S | C | . | . | trans | -101.5 | 139 | 179.8 | -68.5 | 177.7 | 0 | 0 | 0 | 110.3 | S106 R109 S213 I334 | S106-L111 PolarHBondContact O-N 3.26Å; S106-L111 PolarHBondContact OG-O 3.31Å; R109-L111 HydrophobicContact CB-CB 4.38Å; R109-L111 HydrophobicContact CB-CD1 4.18Å; R109-L111 HydrophobicContact CB-CG 4.05Å; R109-L111 PolarHBondContact O-N 3.17Å; L111-S213 VanDerWaalsContact C-OG 3.25Å; L111-S213 PolarHBondContact O-OG 2.84Å; L111-I334 HydrophobicContact CD2-CG1 4.16Å; L111-I334 HydrophobicContact CD2-CG2 4.5Å | ||
| 112 | P | 86.5 | Confident | 91.4 | Very high | 59 Ų | 59 | 35.6 Ų | 35.6 | 38% | 0.383 | 19% | 0.191 | S | C | . | . | trans | -66.4 | 141.3 | 171.8 | 29.1 | -33.9 | 0 | 0 | 0 | 109.7 | S213 R214 | P112-S213 WeakPolarHBondContact CA-OG 3.2Å; P112-S213 VanDerWaalsContact N-OG 3.14Å; P112-R214 WeakPolarHBondContact CA-O 3.16Å | ||
| 113 | A | 86.7 | Confident | 91.5 | Very high | 17 Ų | 17 | 36.1 Ų | 36.1 | 14% | 0.14 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 150.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110 | F215 I216 | A113-F215 HydrophobicContact CB-CD2 3.99Å; A113-F215 HydrophobicContact CB-CE2 4.23Å; A113-I216 PolarHBondContact O-N 2.94Å |
| 114 | E | 90.7 | Very high | 91.4 | Very high | 18 Ų | 18 | 38.2 Ų | 38.2 | 8% | 0.084 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 133.4 | 177.6 | -176.9 | 172.2 | 170.2 | 0 | 0 | 109.5 | I216 L251 F254 | E114-I216 CarbonylContact C-O 3.45Å; E114-I216 VanDerWaalsContact CA-O 3.27Å; E114-I216 WeakPolarHBondContact CA-O 3.47Å; E114-I216 HydrophobicContact CB-CB 4.08Å; E114-I216 HydrophobicContact CG-CB 3.94Å; E114-I216 HydrophobicContact CG-CG2 3.86Å; E114-L251 WeakPolarHBondContact OE1-CD2 3.27Å; E114-F254 HydrophobicContact CG-CZ 4.35Å |
| 115 | R | 91.3 | Very high | 91.3 | Very high | 24 Ų | 24 | 42.6 Ų | 42.6 | 9% | 0.091 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 150.5 | 178.5 | -66.2 | -63.1 | -179.9 | -94 | 3.5 | 112 | H90 H91 I93 V102 F215 I216 T217 S218 | H90-R115 WeakPolarHBondContact O-CD 3.47Å; H90-R115 PolarHBondContact O-NE 3.34Å; H91-R115 VanDerWaalsContact O-CD 3.31Å; H91-R115 WeakPolarHBondContact O-CD 3.5Å; I93-R115 HydrophobicContact CD1-CB 3.63Å; I93-R115 HydrophobicContact CD1-CG 4.26Å; I93-R115 HydrophobicContact CG1-CB 4.15Å; V102-R115 HydrophobicContact CG1-CG 3.98Å; R115-F215 HydrophobicContact CB-CE2 4.37Å; R115-F215 HydrophobicContact CB-CZ 3.94Å; R115-F215 HydrophobicContact CG-CE2 3.92Å; R115-F215 HydrophobicContact CG-CZ 3.93Å; R115-I216 PolarHBondContact N-O 3.11Å; R115-T217 VanDerWaalsContact O-CA 3.28Å; R115-T217 WeakPolarHBondContact O-CA 3.42Å; R115-T217 PolarHBondContact O-OG1 3.33Å; R115-S218 PolarHBondContact O-N 2.78Å |
| 116 | Y | 91.6 | Very high | 91.4 | Very high | 46 Ų | 46 | 41.6 Ų | 41.6 | 18% | 0.18 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 133.2 | 174 | -179.7 | -105.1 | 0 | 0 | 0 | 110.7 | D92 I93 S218 H219 F254 | D92-Y116 WeakPolarHBondContact CA-O 3.38Å; I93-Y116 PolarHBondContact N-O 3.12Å; Y116-S218 WeakPolarHBondContact CA-O 3.47Å; Y116-S218 WeakPolarHBondContact CD2-O 3.19Å; Y116-H219 AromaticContact CE2-ND1 3.92Å; Y116-H219 AromaticContact CZ-CE1 3.87Å; Y116-H219 AromaticContact CZ-ND1 3.59Å; Y116-H219 PolarHBondContact OH-CE1 3.31Å; Y116-H219 PolarHBondContact OH-ND1 2.77Å; Y116-F254 HydrophobicContact CD1-CB 4.41Å; Y116-F254 HydrophobicContact CD2-CB 4.07Å; Y116-F254 HydrophobicContact CD2-CG 4.47Å; Y116-F254 HydrophobicContact CG-CB 3.83Å; Y116-F254 HydrophobicContact CG-CG 4.2Å |
| 117 | V | 94.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 114.8 | 168.9 | 171.9 | 0 | 0 | 0 | 0 | 108.2 | I93 D119 L122 F123 T217 S218 H219 | I93-V117 HydrophobicContact CB-CG2 3.87Å; I93-V117 HydrophobicContact CD1-CG2 4.48Å; I93-V117 HydrophobicContact CG2-CG2 3.93Å; I93-V117 CarbonylContact O-C 3.58Å; I93-V117 VanDerWaalsContact O-CA 3.23Å; I93-V117 WeakPolarHBondContact O-CA 3.38Å; V117-D119 VanDerWaalsContact CG1-O 3.26Å; V117-D119 WeakPolarHBondContact CG1-O 3.47Å; V117-L122 HydrophobicContact CG1-CB 4.33Å; V117-L122 HydrophobicContact CG1-CD2 4.13Å; V117-L122 HydrophobicContact CG1-CG 4.26Å; V117-F123 HydrophobicContact CB-CB 4.16Å; V117-F123 HydrophobicContact CB-CD2 4.05Å; V117-F123 HydrophobicContact CB-CG 4.46Å; V117-F123 HydrophobicContact CG1-CB 3.76Å; V117-F123 HydrophobicContact CG1-CD2 4.46Å; V117-F123 HydrophobicContact CG2-CD2 4.18Å; V117-T217 WeakPolarHBondContact CG2-OG1 2.97Å; V117-S218 PolarHBondContact N-O 3.13Å; V117-H219 PolarHBondContact O-ND1 2.93Å |
| 118 | S | 91.1 | Very high | 91.3 | Very high | 46 Ų | 46 | 45.2 Ų | 45.2 | 32% | 0.322 | 24% | 0.244 | S | C | . | . | trans | -76 | -25.7 | -177.3 | 62.4 | 0 | 0 | 0 | 0 | 113.3 | I93 S94 P120 | I93-S118 PolarHBondContact O-N 3Å; I93-S118 PolarHBondContact O-OG 3.41Å; S94-S118 WeakPolarHBondContact CB-OG 3.28Å; S118-P120 WeakPolarHBondContact O-CD 3.38Å | ||
| 119 | D | 92.4 | Very high | 91.2 | Very high | 57 Ų | 57 | 45.6 Ų | 45.6 | 31% | 0.305 | 24% | 0.242 | S | C | . | . | trans | -91.2 | 109.4 | 179.3 | -177.4 | -14 | 0 | 0 | 0 | 110.7 | V117 D121 L122 F123 | V117-D119 VanDerWaalsContact CG1-O 3.26Å; V117-D119 WeakPolarHBondContact CG1-O 3.47Å; D119-D121 VanDerWaalsContact C-N 3.27Å; D119-D121 PolarHBondContact O-N 3.03Å; D119-D121 WeakPolarHBondContact OD1-CB 3.32Å; D119-D121 PolarHBondContact OD1-N 2.86Å; D119-L122 HydrophobicContact CB-CB 3.81Å; D119-L122 PolarHBondContact O-N 2.81Å; D119-L122 PolarHBondContact OD1-N 2.85Å; D119-F123 PolarHBondContact O-N 2.89Å | ||
| 120 | P | 91.5 | Very high | 91.2 | Very high | 63 Ų | 63 | 38.6 Ų | 38.6 | 41% | 0.409 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -62.9 | -31.1 | -179.1 | -16.5 | 28.6 | 0 | 0 | 0 | 113.8 | S118 T124 | S118-P120 WeakPolarHBondContact O-CD 3.38Å; P120-T124 WeakPolarHBondContact O-CB 3.32Å; P120-T124 PolarHBondContact O-N 3.08Å; P120-T124 PolarHBondContact O-OG1 3.43Å |
| 121 | D | 94.6 | Very high | 91 | Very high | 119 Ų | 119 | 41.6 Ų | 41.6 | 64% | 0.636 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -73.4 | -46.1 | -178.5 | -67.8 | -29.6 | 0 | 0 | 0 | 109.3 | D119 F123 T124 D125 | D119-D121 VanDerWaalsContact C-N 3.27Å; D119-D121 PolarHBondContact O-N 3.03Å; D119-D121 WeakPolarHBondContact OD1-CB 3.32Å; D119-D121 PolarHBondContact OD1-N 2.86Å; D121-F123 VanDerWaalsContact C-N 3.31Å; D121-F123 PolarHBondContact O-N 3.44Å; D121-T124 PolarHBondContact O-N 2.63Å; D121-D125 PolarHBondContact O-N 3.2Å |
| 122 | L | 95.3 | Very high | 90.8 | Very high | 25 Ų | 25 | 45.6 Ų | 45.6 | 13% | 0.131 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -55.3 | -46.7 | 172.1 | 176.7 | 61.5 | 0 | 0 | 0 | 111.5 | I93 I96 V117 D119 T124 D125 L126 | I93-L122 HydrophobicContact CG2-CD2 4.32Å; I96-L122 HydrophobicContact CB-CD1 4.5Å; V117-L122 HydrophobicContact CG1-CB 4.33Å; V117-L122 HydrophobicContact CG1-CD2 4.13Å; V117-L122 HydrophobicContact CG1-CG 4.26Å; D119-L122 HydrophobicContact CB-CB 3.81Å; D119-L122 PolarHBondContact O-N 2.81Å; D119-L122 PolarHBondContact OD1-N 2.85Å; L122-T124 PolarHBondContact O-N 3.2Å; L122-D125 PolarHBondContact O-N 2.77Å; L122-L126 HydrophobicContact CD1-CD1 4.47Å; L122-L126 HydrophobicContact CD1-CG 4.45Å; L122-L126 HydrophobicContact CG-CD1 4.28Å; L122-L126 VanDerWaalsContact O-CG 3.32Å; L122-L126 WeakPolarHBondContact O-CG 3.24Å; L122-L126 PolarHBondContact O-N 3.45Å |
| 123 | F | 95.3 | Very high | 89.5 | Confident | 13 Ų | 13 | 48.4 Ų | 48.4 | 6% | 0.057 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.5 | -41.9 | 179.8 | -171 | -110.1 | 0 | 0 | 0 | 112.1 | V117 D119 D121 D125 L126 V127 I192 L194 T217 H219 | V117-F123 HydrophobicContact CB-CB 4.16Å; V117-F123 HydrophobicContact CB-CD2 4.05Å; V117-F123 HydrophobicContact CB-CG 4.46Å; V117-F123 HydrophobicContact CG1-CB 3.76Å; V117-F123 HydrophobicContact CG1-CD2 4.46Å; V117-F123 HydrophobicContact CG2-CD2 4.18Å; D119-F123 PolarHBondContact O-N 2.89Å; D121-F123 VanDerWaalsContact C-N 3.31Å; D121-F123 PolarHBondContact O-N 3.44Å; F123-D125 VanDerWaalsContact C-N 3.3Å; F123-D125 PolarHBondContact O-N 2.88Å; F123-L126 PolarHBondContact O-N 3.37Å; F123-V127 HydrophobicContact CD1-CG2 4.17Å; F123-V127 HydrophobicContact CE1-CG2 3.71Å; F123-V127 HydrophobicContact CE2-CG2 4.25Å; F123-V127 HydrophobicContact CZ-CG2 3.73Å; F123-V127 WeakPolarHBondContact O-CG2 3.42Å; F123-V127 PolarHBondContact O-N 3.39Å; F123-I192 WeakPolarHBondContact CZ-O 3.32Å; F123-L194 HydrophobicContact CE2-CB 4.42Å; F123-T217 HydrophobicContact CE2-CG2 4.37Å; F123-H219 HydrophobicContact CB-CB 3.96Å; F123-H219 HydrophobicContact CD1-CB 3.38Å; F123-H219 HydrophobicContact CD2-CB 4.28Å; F123-H219 HydrophobicContact CE1-CB 3.91Å; F123-H219 HydrophobicContact CG-CB 3.59Å |
| 124 | T | 93.3 | Very high | 88.2 | Confident | 44 Ų | 44 | 48 Ų | 48 | 27% | 0.27 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60.7 | -41.9 | 176.7 | -63.8 | 0 | 0 | 0 | 0 | 111.2 | P120 D121 L122 V127 N128 | P120-T124 WeakPolarHBondContact O-CB 3.32Å; P120-T124 PolarHBondContact O-N 3.08Å; P120-T124 PolarHBondContact O-OG1 3.43Å; D121-T124 PolarHBondContact O-N 2.63Å; L122-T124 PolarHBondContact O-N 3.2Å; T124-V127 PolarHBondContact O-N 2.87Å; T124-N128 WeakPolarHBondContact O-CB 3.49Å; T124-N128 PolarHBondContact O-N 2.93Å; T124-N128 PolarHBondContact O-ND2 3.02Å |
| 125 | D | 92.7 | Very high | 86.4 | Confident | 92 Ų | 92 | 52.3 Ų | 52.3 | 49% | 0.492 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64.6 | -41.8 | 176.3 | -77.3 | -15.3 | 0 | 0 | 0 | 112.5 | D121 L122 F123 N128 Q129 | D121-D125 PolarHBondContact O-N 3.2Å; L122-D125 PolarHBondContact O-N 2.77Å; F123-D125 VanDerWaalsContact C-N 3.3Å; F123-D125 PolarHBondContact O-N 2.88Å; D125-N128 PolarHBondContact O-N 3.45Å; D125-Q129 WeakPolarHBondContact O-CB 3.38Å; D125-Q129 WeakPolarHBondContact O-CG 3.39Å; D125-Q129 PolarHBondContact O-N 2.91Å |
| 126 | L | 93.7 | Very high | 85 | Confident | 2 Ų | 2 | 54.4 Ų | 54.4 | 1% | 0.01 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.5 | -47.2 | 175.5 | -69.7 | 169.7 | 0 | 0 | 0 | 111.6 | L80 I96 L99 L122 F123 Q129 A130 L194 | L80-L126 HydrophobicContact CD1-CD2 3.76Å; I96-L126 HydrophobicContact CD1-CD2 3.99Å; L99-L126 HydrophobicContact CD2-CD1 3.72Å; L99-L126 HydrophobicContact CD2-CD2 3.65Å; L99-L126 HydrophobicContact CD2-CG 4.36Å; L122-L126 HydrophobicContact CD1-CD1 4.47Å; L122-L126 HydrophobicContact CD1-CG 4.45Å; L122-L126 HydrophobicContact CG-CD1 4.28Å; L122-L126 VanDerWaalsContact O-CG 3.32Å; L122-L126 WeakPolarHBondContact O-CG 3.24Å; L122-L126 PolarHBondContact O-N 3.45Å; F123-L126 PolarHBondContact O-N 3.37Å; L126-Q129 PolarHBondContact O-N 2.97Å; L126-A130 WeakPolarHBondContact O-CB 3.14Å; L126-A130 PolarHBondContact O-N 3.18Å; L126-L194 HydrophobicContact CB-CD2 4.07Å |
| 127 | V | 92.7 | Very high | 84.2 | Confident | 10 Ų | 10 | 54.2 Ų | 54.2 | 6% | 0.061 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.1 | -44.2 | 177.7 | 172 | 0 | 0 | 0 | 0 | 110.9 | L69 F123 T124 Q129 A130 D131 I192 | L69-V127 HydrophobicContact CD2-CG1 4.12Å; F123-V127 HydrophobicContact CD1-CG2 4.17Å; F123-V127 HydrophobicContact CE1-CG2 3.71Å; F123-V127 HydrophobicContact CE2-CG2 4.25Å; F123-V127 HydrophobicContact CZ-CG2 3.73Å; F123-V127 WeakPolarHBondContact O-CG2 3.42Å; F123-V127 PolarHBondContact O-N 3.39Å; T124-V127 PolarHBondContact O-N 2.87Å; V127-Q129 VanDerWaalsContact C-N 3.29Å; V127-Q129 PolarHBondContact O-N 3.34Å; V127-A130 PolarHBondContact O-N 3.37Å; V127-D131 WeakPolarHBondContact O-CB 3.47Å; V127-D131 PolarHBondContact O-N 3Å; V127-I192 HydrophobicContact CG1-CG2 4.25Å; V127-I192 HydrophobicContact CG2-CB 4.41Å; V127-I192 HydrophobicContact CG2-CG2 3.97Å |
| 128 | N | 91.3 | Very high | 83.7 | Confident | 72 Ų | 72 | 60 Ų | 60 | 39% | 0.385 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.3 | -36.7 | 177.9 | -74.1 | -24.5 | 0 | 0 | 0 | 112.1 | T124 D125 N132 | T124-N128 WeakPolarHBondContact O-CB 3.49Å; T124-N128 PolarHBondContact O-N 2.93Å; T124-N128 PolarHBondContact O-ND2 3.02Å; D125-N128 PolarHBondContact O-N 3.45Å; N128-N132 VanDerWaalsContact O-CB 3.28Å; N128-N132 WeakPolarHBondContact O-CB 3.47Å; N128-N132 PolarHBondContact O-N 3.14Å; N128-N132 VanDerWaalsContact O-N 3.07Å; N128-N132 PolarHBondContact O-ND2 2.99Å |
| 129 | Q | 88.7 | Confident | 83.7 | Confident | 46 Ų | 46 | 59.8 Ų | 59.8 | 22% | 0.215 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -73 | -39.2 | 176.5 | -71 | -166.1 | 58.9 | 0 | 0 | 112.2 | L76 D125 L126 V127 K133 | L76-Q129 HydrophobicContact CD1-CB 4.27Å; D125-Q129 WeakPolarHBondContact O-CB 3.38Å; D125-Q129 WeakPolarHBondContact O-CG 3.39Å; D125-Q129 PolarHBondContact O-N 2.91Å; L126-Q129 PolarHBondContact O-N 2.97Å; V127-Q129 VanDerWaalsContact C-N 3.29Å; V127-Q129 PolarHBondContact O-N 3.34Å; Q129-K133 WeakPolarHBondContact O-CB 3.31Å; Q129-K133 PolarHBondContact O-N 3.39Å |
| 130 | A | 89.9 | Confident | 83.7 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61 | -44.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L69 V71 L76 L126 V127 A134 S137 L194 | L69-A130 HydrophobicContact CD2-CB 3.57Å; L69-A130 HydrophobicContact CG-CB 4.23Å; V71-A130 HydrophobicContact CG1-CB 3.87Å; L76-A130 HydrophobicContact CD1-CB 4.43Å; L126-A130 WeakPolarHBondContact O-CB 3.14Å; L126-A130 PolarHBondContact O-N 3.18Å; V127-A130 PolarHBondContact O-N 3.37Å; A130-A134 VanDerWaalsContact O-CB 3.29Å; A130-A134 WeakPolarHBondContact O-CB 3.31Å; A130-S137 WeakPolarHBondContact O-CB 3.49Å; A130-L194 HydrophobicContact CB-CD1 3.67Å |
| 131 | D | 84 | Confident | 83.9 | Confident | 72 Ų | 72 | 56.1 Ų | 56.1 | 39% | 0.385 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -72.9 | -38.6 | -177.7 | -146.1 | 16.6 | 0 | 0 | 0 | 112.3 | V127 K170 | V127-D131 WeakPolarHBondContact O-CB 3.47Å; V127-D131 PolarHBondContact O-N 3Å; D131-K170 IonicContact OD2-NZ 3.47Å; D131-K170 PolarHBondContact OD2-NZ 2.8Å |
| 132 | N | 78.6 | Confident | 83.8 | Confident | 133 Ų | 133 | 50.5 Ų | 50.5 | 71% | 0.711 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -93.6 | -27.7 | -172.4 | -66.7 | -56.9 | 0 | 0 | 0 | 115.4 | N128 | N128-N132 VanDerWaalsContact O-CB 3.28Å; N128-N132 WeakPolarHBondContact O-CB 3.47Å; N128-N132 PolarHBondContact O-N 3.14Å; N128-N132 VanDerWaalsContact O-N 3.07Å; N128-N132 PolarHBondContact O-ND2 2.99Å |
| 133 | K | 61 | Low | 83.8 | Confident | 117 Ų | 117 | 49.5 Ų | 49.5 | 51% | 0.509 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -113.4 | -29.4 | -171.4 | -64.4 | -177.2 | 179.2 | 174.6 | 0 | 114 | Q129 S135 | Q129-K133 WeakPolarHBondContact O-CB 3.31Å; Q129-K133 PolarHBondContact O-N 3.39Å; K133-S135 PolarHBondContact O-N 2.96Å |
| 134 | A | 58.4 | Low | 83.8 | Confident | 10 Ų | 10 | 50.2 Ų | 50.2 | 8% | 0.083 | 29% | 0.287 | C | S | . | . | trans | -72.9 | 106.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | V71 A130 S136 S137 | V71-A134 HydrophobicContact CB-CB 4.49Å; V71-A134 HydrophobicContact CG1-CB 3.9Å; A130-A134 VanDerWaalsContact O-CB 3.29Å; A130-A134 WeakPolarHBondContact O-CB 3.31Å; A134-S136 PolarHBondContact O-N 3.46Å; A134-S137 PolarHBondContact O-N 3.46Å | ||
| 135 | S | 52.3 | Low | 84 | Confident | 107 Ų | 107 | 48.1 Ų | 48.1 | 75% | 0.748 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | 0 | 174 | -1.5 | 0 | 0 | 0 | 0 | 114.6 | K75 K133 | K75-S135 PolarHBondContact NZ-OG 3.36Å; K133-S135 PolarHBondContact O-N 2.96Å |
| 136 | S | 63.4 | Low | 84.2 | Confident | 68 Ų | 68 | 43.7 Ų | 43.7 | 48% | 0.476 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -141.5 | 24.4 | -170.2 | 66.7 | 0 | 0 | 0 | 0 | 112.2 | A134 E138 | A134-S136 PolarHBondContact O-N 3.46Å; S136-E138 PolarHBondContact O-N 3.01Å |
| 137 | S | 74.3 | Confident | 84.4 | Confident | 42 Ų | 42 | 44.6 Ų | 44.6 | 29% | 0.294 | 26% | 0.255 | S | S | . | . | trans | -68.1 | 124.7 | 172.2 | 54.4 | 0 | 0 | 0 | 0 | 109.7 | I70 A130 A134 | I70-S137 WeakPolarHBondContact O-CA 3.4Å; A130-S137 WeakPolarHBondContact O-CB 3.49Å; A134-S137 PolarHBondContact O-N 3.46Å | ||
| 138 | E | 84.1 | Confident | 84.7 | Confident | 123 Ų | 123 | 44.1 Ų | 44.1 | 58% | 0.575 | 25% | 0.253 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 123.1 | 172.2 | -173.7 | 177.2 | 168.6 | 0 | 0 | 108.5 | I70 S136 | I70-E138 PolarHBondContact N-O 3.45Å; I70-E138 PolarHBondContact O-N 2.78Å; I70-E138 VanDerWaalsContact O-N 3.12Å; S136-E138 PolarHBondContact O-N 3.01Å |
| 139 | A | 89.7 | Confident | 85 | Confident | 41 Ų | 41 | 40.7 Ų | 40.7 | 34% | 0.339 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 118.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | V67 D68 | V67-A139 HydrophobicContact CG1-CB 4.05Å; D68-A139 WeakPolarHBondContact O-CA 3.43Å |
| 140 | A | 92.9 | Very high | 85.4 | Confident | 22 Ų | 22 | 39.9 Ų | 39.9 | 18% | 0.182 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 167.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | D68 I70 G142 | D68-A140 HydrophobicContact CB-CB 4.31Å; D68-A140 PolarHBondContact N-O 3.1Å; D68-A140 PolarHBondContact O-N 3.37Å; I70-A140 HydrophobicContact CD1-CB 3.92Å; A140-G142 PolarHBondContact O-N 2.69Å |
| 141 | I | 95 | Very high | 85.7 | Confident | 21 Ų | 21 | 40.5 Ų | 40.5 | 11% | 0.108 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 117.3 | 171.7 | -59.8 | 171.4 | 0 | 0 | 0 | 107.1 | A146 L147 N150 L171 L174 L175 | I141-A146 HydrophobicContact CG2-CB 3.99Å; I141-L147 HydrophobicContact CB-CD2 4.15Å; I141-L147 HydrophobicContact CG2-CD2 4.06Å; I141-L147 HydrophobicContact CG2-CG 4.11Å; I141-L147 WeakPolarHBondContact O-CD2 3.35Å; I141-N150 HydrophobicContact CD1-CB 3.92Å; I141-N150 WeakPolarHBondContact CD1-ND2 3.37Å; I141-N150 WeakPolarHBondContact CD1-OD1 3.46Å; I141-L171 HydrophobicContact CB-CD1 4.39Å; I141-L171 HydrophobicContact CG1-CD1 4.42Å; I141-L171 HydrophobicContact CG2-CD1 3.94Å; I141-L174 HydrophobicContact CD1-CB 4.49Å; I141-L174 HydrophobicContact CG1-CB 3.7Å; I141-L175 HydrophobicContact CD1-CD2 4.36Å; I141-L175 HydrophobicContact CG2-CD2 4.22Å |
| 142 | G | 94.3 | Very high | 86.4 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 169.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | D66 D68 A140 A146 | D66-G142 PolarHBondContact N-O 2.72Å; D66-G142 CarbonylContact O-C 3.31Å; D66-G142 VanDerWaalsContact O-C 3.3Å; D66-G142 VanDerWaalsContact O-CA 3.24Å; D66-G142 WeakPolarHBondContact O-CA 3.29Å; D66-G142 PolarHBondContact O-N 3.3Å; D66-G142 VanDerWaalsContact OD1-CA 3.24Å; D66-G142 WeakPolarHBondContact OD1-CA 3.36Å; D68-G142 VanDerWaalsContact CG-CA 3.45Å; D68-G142 WeakPolarHBondContact OD1-CA 3.39Å; A140-G142 PolarHBondContact O-N 2.69Å; G142-A146 WeakPolarHBondContact O-CB 3.49Å |
| 143 | G | 94.2 | Very high | 87.3 | Confident | 4 Ų | 4 | 30.9 Ų | 30.9 | 4% | 0.041 | 18% | 0.184 | C | C | . | . | S | Bend | trans | 81.4 | 118.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | D66 A145 A146 L147 | D66-G143 PolarHBondContact OD1-N 3.23Å; D66-G143 WeakPolarHBondContact OD2-CA 3.39Å; D66-G143 PolarHBondContact OD2-N 3.47Å; G143-A145 VanDerWaalsContact C-N 3.28Å; G143-A145 PolarHBondContact O-N 3.44Å; G143-A146 PolarHBondContact O-N 3.45Å; G143-L147 PolarHBondContact O-N 3.48Å |
| 144 | N | 95.7 | Very high | 88.9 | Confident | 28 Ų | 28 | 27.8 Ų | 27.8 | 15% | 0.15 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -51.7 | -43.5 | -176.5 | -65.3 | 5.7 | 0 | 0 | 0 | 113.7 | N64 L147 I148 S247 E283 Q473 | N64-N144 PolarHBondContact ND2-N 3.16Å; N144-L147 PolarHBondContact O-N 2.87Å; N144-I148 WeakPolarHBondContact O-CG1 3.48Å; N144-I148 PolarHBondContact O-N 3.06Å; N144-S247 WeakPolarHBondContact CB-OG 3.27Å; N144-E283 VanDerWaalsContact CB-OE2 3.28Å; N144-E283 WeakPolarHBondContact CB-OE2 3.47Å; N144-Q473 HydrophobicContact CB-CG 4.05Å; N144-Q473 PolarHBondContact ND2-NE2 3.43Å; N144-Q473 PolarHBondContact OD1-NE2 2.85Å |
| 145 | A | 97.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66.1 | -41.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | V61 G62 N64 G143 I148 A149 L163 | V61-A145 HydrophobicContact CG1-CB 3.87Å; V61-A145 WeakPolarHBondContact CG1-O 3.29Å; G62-A145 VanDerWaalsContact C-CB 3.45Å; N64-A145 WeakPolarHBondContact O-CB 3.28Å; N64-A145 PolarHBondContact O-N 3.25Å; N64-A145 PolarHBondContact OD1-N 2.9Å; N64-A145 VanDerWaalsContact OD1-N 3.11Å; G143-A145 VanDerWaalsContact C-N 3.28Å; G143-A145 PolarHBondContact O-N 3.44Å; A145-I148 PolarHBondContact O-N 3.22Å; A145-A149 WeakPolarHBondContact O-CB 3.43Å; A145-A149 PolarHBondContact O-N 2.87Å; A145-L163 HydrophobicContact CB-CD1 4.25Å |
| 146 | A | 97.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.2 | -41.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | N64 I141 G142 G143 A149 N150 L163 L175 | N64-A146 PolarHBondContact O-N 3.39Å; I141-A146 HydrophobicContact CG2-CB 3.99Å; G142-A146 WeakPolarHBondContact O-CB 3.49Å; G143-A146 PolarHBondContact O-N 3.45Å; A146-A149 PolarHBondContact O-N 3Å; A146-N150 VanDerWaalsContact O-CB 3.24Å; A146-N150 WeakPolarHBondContact O-CB 3.35Å; A146-N150 PolarHBondContact O-N 3.16Å; A146-L163 HydrophobicContact CB-CD2 3.85Å; A146-L175 HydrophobicContact CB-CD2 4.36Å |
| 147 | L | 97.2 | Very high | 93.8 | Very high | 20 Ų | 20 | 33.6 Ų | 33.6 | 11% | 0.105 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.8 | -44.7 | 175 | -79.7 | 165.3 | 0 | 0 | 0 | 112.2 | I141 G143 N144 N150 N151 Q473 | I141-L147 HydrophobicContact CB-CD2 4.15Å; I141-L147 HydrophobicContact CG2-CD2 4.06Å; I141-L147 HydrophobicContact CG2-CG 4.11Å; I141-L147 WeakPolarHBondContact O-CD2 3.35Å; G143-L147 PolarHBondContact O-N 3.48Å; N144-L147 PolarHBondContact O-N 2.87Å; L147-N150 PolarHBondContact O-N 3.42Å; L147-N151 WeakPolarHBondContact O-CB 3.4Å; L147-N151 PolarHBondContact O-N 3.26Å; L147-N151 PolarHBondContact O-ND2 3.26Å; L147-Q473 HydrophobicContact CB-CB 3.65Å; L147-Q473 HydrophobicContact CB-CG 3.7Å; L147-Q473 HydrophobicContact CD1-CG 4.12Å |
| 148 | I | 98.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.2 | -48.9 | 173.6 | -71.3 | 174.8 | 0 | 0 | 0 | 110.2 | V61 N144 A145 N150 N151 I152 V245 E283 Q473 D476 A477 | V61-I148 HydrophobicContact CG1-CB 4.5Å; V61-I148 HydrophobicContact CG1-CG2 4.46Å; N144-I148 WeakPolarHBondContact O-CG1 3.48Å; N144-I148 PolarHBondContact O-N 3.06Å; A145-I148 PolarHBondContact O-N 3.22Å; I148-N150 VanDerWaalsContact C-N 3.29Å; I148-N150 PolarHBondContact O-N 3.23Å; I148-N151 PolarHBondContact O-N 2.96Å; I148-I152 HydrophobicContact CG2-CD1 3.65Å; I148-I152 HydrophobicContact CG2-CG1 4.26Å; I148-I152 WeakPolarHBondContact O-CG1 3.39Å; I148-I152 PolarHBondContact O-N 3.45Å; I148-V245 HydrophobicContact CD1-CG1 3.96Å; I148-V245 HydrophobicContact CG2-CG1 4.27Å; I148-E283 HydrophobicContact CD1-CB 4.11Å; I148-E283 HydrophobicContact CD1-CG 4.3Å; I148-E283 WeakPolarHBondContact CD1-OE2 3.2Å; I148-Q473 HydrophobicContact CG1-CB 3.93Å; I148-Q473 HydrophobicContact CG1-CG 4.08Å; I148-D476 HydrophobicContact CD1-CB 4.39Å; I148-D476 VanDerWaalsContact CD1-OD2 3.32Å; I148-D476 WeakPolarHBondContact CD1-OD2 3.44Å; I148-A477 HydrophobicContact CG2-CB 4.33Å |
| 149 | A | 98.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -57.9 | -44 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | V61 A145 A146 I152 A153 V161 L163 V179 | V61-A149 HydrophobicContact CB-CB 4.16Å; V61-A149 HydrophobicContact CG1-CB 4.17Å; V61-A149 HydrophobicContact CG2-CB 4.24Å; A145-A149 WeakPolarHBondContact O-CB 3.43Å; A145-A149 PolarHBondContact O-N 2.87Å; A146-A149 PolarHBondContact O-N 3Å; A149-I152 PolarHBondContact O-N 3.11Å; A149-A153 VanDerWaalsContact O-CB 3.32Å; A149-A153 WeakPolarHBondContact O-CB 3.36Å; A149-A153 PolarHBondContact O-N 3.06Å; A149-V161 HydrophobicContact CB-CG1 3.67Å; A149-L163 HydrophobicContact CB-CB 4.26Å; A149-L163 HydrophobicContact CB-CD1 4.25Å; A149-V179 HydrophobicContact CB-CG1 4.2Å; A149-V179 HydrophobicContact CB-CG2 4.42Å |
| 150 | N | 97.5 | Very high | 95.8 | Very high | 29 Ų | 29 | 41.5 Ų | 41.5 | 16% | 0.155 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.3 | -43.9 | 177.5 | -173.2 | 73.1 | 0 | 0 | 0 | 112.5 | I141 A146 L147 I148 I152 A153 S154 L175 H176 | I141-N150 HydrophobicContact CD1-CB 3.92Å; I141-N150 WeakPolarHBondContact CD1-ND2 3.37Å; I141-N150 WeakPolarHBondContact CD1-OD1 3.46Å; A146-N150 VanDerWaalsContact O-CB 3.24Å; A146-N150 WeakPolarHBondContact O-CB 3.35Å; A146-N150 PolarHBondContact O-N 3.16Å; L147-N150 PolarHBondContact O-N 3.42Å; I148-N150 VanDerWaalsContact C-N 3.29Å; I148-N150 PolarHBondContact O-N 3.23Å; N150-I152 PolarHBondContact O-N 2.9Å; N150-A153 PolarHBondContact O-N 3.23Å; N150-S154 WeakPolarHBondContact O-CB 3.39Å; N150-S154 PolarHBondContact O-N 3.1Å; N150-S154 PolarHBondContact O-OG 2.95Å; N150-L175 HydrophobicContact CB-CD2 4.34Å; N150-H176 WeakPolarHBondContact OD1-CB 3.45Å; N150-H176 PolarHBondContact OD1-N 3.16Å |
| 151 | N | 96.5 | Very high | 96 | Very high | 13 Ų | 13 | 40.5 Ų | 40.5 | 7% | 0.07 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63 | -41 | 176.8 | -86.9 | -71 | 0 | 0 | 0 | 112.1 | L147 I148 S154 K155 A477 | L147-N151 WeakPolarHBondContact O-CB 3.4Å; L147-N151 PolarHBondContact O-N 3.26Å; L147-N151 PolarHBondContact O-ND2 3.26Å; I148-N151 PolarHBondContact O-N 2.96Å; N151-S154 PolarHBondContact O-OG 2.84Å; N151-S154 VanDerWaalsContact O-OG 3.05Å; N151-K155 PolarHBondContact O-N 2.83Å; N151-A477 HydrophobicContact CB-CB 3.58Å |
| 152 | I | 97.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.9 | -49.6 | 176 | -65.1 | 172 | 0 | 0 | 0 | 110.1 | I59 I148 A149 N150 S154 K155 F156 V159 V161 A477 M481 | I59-I152 HydrophobicContact CD1-CD1 4.01Å; I59-I152 HydrophobicContact CD1-CG2 4.08Å; I59-I152 HydrophobicContact CG2-CD1 4.35Å; I148-I152 HydrophobicContact CG2-CD1 3.65Å; I148-I152 HydrophobicContact CG2-CG1 4.26Å; I148-I152 WeakPolarHBondContact O-CG1 3.39Å; I148-I152 PolarHBondContact O-N 3.45Å; A149-I152 PolarHBondContact O-N 3.11Å; N150-I152 PolarHBondContact O-N 2.9Å; I152-S154 VanDerWaalsContact C-N 3.29Å; I152-S154 PolarHBondContact O-N 3.02Å; I152-K155 PolarHBondContact O-N 3.2Å; I152-F156 HydrophobicContact CG2-CD2 4.4Å; I152-F156 WeakPolarHBondContact O-CB 3.2Å; I152-F156 WeakPolarHBondContact O-CD2 3.35Å; I152-F156 PolarHBondContact O-N 2.91Å; I152-V159 HydrophobicContact CG2-CB 4.24Å; I152-V159 HydrophobicContact CG2-CG1 3.84Å; I152-V161 HydrophobicContact CB-CG2 3.96Å; I152-V161 HydrophobicContact CG2-CG2 3.43Å; I152-V161 VanDerWaalsContact CG2-CG2 3.43Å; I152-A477 HydrophobicContact CG1-CB 3.9Å; I152-M481 HydrophobicContact CD1-CG 4.49Å; I152-M481 HydrophobicContact CD1-SD 4.26Å; I152-M481 HydrophobicContact CG1-CG 4.06Å; I152-M481 HydrophobicContact CG1-SD 4.31Å; I152-M481 HydrophobicContact CG2-CG 4.38Å; I152-M481 HydrophobicContact CG2-SD 3.99Å |
| 153 | A | 97.1 | Very high | 96.3 | Very high | 4 Ų | 4 | 40 Ų | 40 | 3% | 0.033 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.5 | -32.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | A149 N150 V161 H176 V179 | A149-A153 VanDerWaalsContact O-CB 3.32Å; A149-A153 WeakPolarHBondContact O-CB 3.36Å; A149-A153 PolarHBondContact O-N 3.06Å; N150-A153 PolarHBondContact O-N 3.23Å; A153-V161 HydrophobicContact CB-CG2 4.31Å; A153-H176 HydrophobicContact CB-CB 4.34Å; A153-H176 PolarHBondContact O-CE1 3.2Å; A153-H176 VanDerWaalsContact O-CE1 3.23Å; A153-H176 PolarHBondContact O-ND1 3.39Å; A153-V179 HydrophobicContact CB-CG2 3.56Å |
| 154 | S | 94.8 | Very high | 96.5 | Very high | 51 Ų | 51 | 39.8 Ų | 39.8 | 36% | 0.357 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -77.6 | -32.2 | 179 | 56.9 | 0 | 0 | 0 | 0 | 113.7 | N150 N151 I152 | N150-S154 WeakPolarHBondContact O-CB 3.39Å; N150-S154 PolarHBondContact O-N 3.1Å; N150-S154 PolarHBondContact O-OG 2.95Å; N151-S154 PolarHBondContact O-OG 2.84Å; N151-S154 VanDerWaalsContact O-OG 3.05Å; I152-S154 VanDerWaalsContact C-N 3.29Å; I152-S154 PolarHBondContact O-N 3.02Å |
| 155 | K | 93 | Very high | 96.4 | Very high | 73 Ų | 73 | 38.5 Ų | 38.5 | 32% | 0.317 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -99.5 | -19.9 | -176.3 | -63.5 | -175.1 | -177.8 | -172.1 | 0 | 113.8 | N151 I152 E403 | N151-K155 PolarHBondContact O-N 2.83Å; I152-K155 PolarHBondContact O-N 3.2Å; K155-E403 IonicContact NZ-OE2 3.34Å |
| 156 | F | 94.8 | Very high | 96.3 | Very high | 46 Ų | 46 | 38.6 Ų | 38.6 | 20% | 0.202 | 18% | 0.177 | C | C | . | . | trans | -130.2 | 76 | -173.1 | -56 | -88 | 0 | 0 | 0 | 112.2 | I152 R158 V159 M481 Y482 | I152-F156 HydrophobicContact CG2-CD2 4.4Å; I152-F156 WeakPolarHBondContact O-CB 3.2Å; I152-F156 WeakPolarHBondContact O-CD2 3.35Å; I152-F156 PolarHBondContact O-N 2.91Å; F156-R158 PolarHBondContact O-N 2.58Å; F156-V159 HydrophobicContact CB-CB 4.18Å; F156-V159 HydrophobicContact CB-CG2 3.62Å; F156-V159 WeakPolarHBondContact O-CB 3.39Å; F156-V159 PolarHBondContact O-N 2.88Å; F156-M481 HydrophobicContact CD1-CB 4.41Å; F156-M481 HydrophobicContact CD1-CE 4.29Å; F156-M481 HydrophobicContact CD2-CB 4.2Å; F156-M481 HydrophobicContact CD2-CG 3.78Å; F156-M481 HydrophobicContact CE1-CB 3.82Å; F156-M481 HydrophobicContact CE1-CG 4.42Å; F156-M481 HydrophobicContact CE2-CB 3.58Å; F156-M481 HydrophobicContact CE2-CG 3.53Å; F156-M481 HydrophobicContact CG-CE 4.23Å; F156-M481 HydrophobicContact CG-CG 4.34Å; F156-M481 HydrophobicContact CZ-CB 3.36Å; F156-M481 HydrophobicContact CZ-CG 3.88Å; F156-Y482 HydrophobicContact CE1-CE2 4.19Å; F156-Y482 HydrophobicContact CZ-CD2 4.36Å; F156-Y482 AromaticContact CZ-CE2 3.96Å; F156-Y482 HydrophobicContact CZ-CE2 3.96Å | ||
| 157 | E | 90.8 | Very high | 96.2 | Very high | 188 Ų | 188 | 38.7 Ų | 38.7 | 88% | 0.879 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | -27.3 | -174.2 | -61.9 | 178.4 | 176.3 | 0 | 0 | 115.5 | V159 | E157-V159 VanDerWaalsContact C-N 3.31Š|
| 158 | R | 93.6 | Very high | 96.1 | Very high | 242 Ų | 242 | 37.8 Ų | 37.8 | 91% | 0.913 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -2.1 | -178.9 | -64.6 | -174.7 | 178.5 | -178.3 | 0.2 | 113.8 | F156 | F156-R158 PolarHBondContact O-N 2.58Š|
| 159 | V | 97.2 | Very high | 96 | Very high | 18 Ų | 18 | 41.7 Ų | 41.7 | 11% | 0.109 | 20% | 0.198 | C | C | . | . | trans | -97.3 | 124.6 | -177.4 | -178.7 | 0 | 0 | 0 | 0 | 109.1 | I59 I152 F156 E157 V161 M481 | I59-V159 HydrophobicContact CD1-CG1 3.59Å; I59-V159 HydrophobicContact CG1-CG1 3.77Å; I152-V159 HydrophobicContact CG2-CB 4.24Å; I152-V159 HydrophobicContact CG2-CG1 3.84Å; F156-V159 HydrophobicContact CB-CB 4.18Å; F156-V159 HydrophobicContact CB-CG2 3.62Å; F156-V159 WeakPolarHBondContact O-CB 3.39Å; F156-V159 PolarHBondContact O-N 2.88Å; E157-V159 VanDerWaalsContact C-N 3.31Å; V159-V161 HydrophobicContact CG1-CG2 3.99Å; V159-V161 PolarHBondContact O-N 3.06Å; V159-M481 HydrophobicContact CG2-CE 3.67Å | ||
| 160 | K | 98.1 | Very high | 95.8 | Very high | 113 Ų | 113 | 46.1 Ų | 46.1 | 49% | 0.491 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 110.9 | 171.9 | -171.4 | 176.1 | -173.3 | 179.5 | 0 | 109 | S57 K58 I59 F239 | S57-K160 PolarHBondContact O-N 3Å; K58-K160 WeakPolarHBondContact CA-O 3.48Å; K58-K160 HydrophobicContact CG-CB 4.41Å; I59-K160 PolarHBondContact N-O 3.11Å; K160-F239 HydrophobicContact CD-CE2 3.82Å; K160-F239 HydrophobicContact CD-CZ 4.31Å; K160-F239 HydrophobicContact CG-CE2 4.05Å; K160-F239 HydrophobicContact CG-CZ 4.13Å |
| 161 | V | 98.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 127.9 | 177.5 | -173.1 | 0 | 0 | 0 | 0 | 109.2 | I59 V61 A149 I152 A153 V159 S180 | I59-V161 WeakPolarHBondContact O-CA 3.2Å; V61-V161 HydrophobicContact CG2-CG1 3.93Å; A149-V161 HydrophobicContact CB-CG1 3.67Å; I152-V161 HydrophobicContact CB-CG2 3.96Å; I152-V161 HydrophobicContact CG2-CG2 3.43Å; I152-V161 VanDerWaalsContact CG2-CG2 3.43Å; A153-V161 HydrophobicContact CB-CG2 4.31Å; V159-V161 HydrophobicContact CG1-CG2 3.99Å; V159-V161 PolarHBondContact O-N 3.06Å; V161-S180 VanDerWaalsContact O-CB 3.3Å; V161-S180 WeakPolarHBondContact O-CB 3.38Å; V161-S180 PolarHBondContact O-N 2.8Å |
| 162 | L | 98.1 | Very high | 95.8 | Very high | 11 Ų | 11 | 49.2 Ų | 49.2 | 6% | 0.058 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 116.3 | 171.9 | 176.8 | 57.6 | 0 | 0 | 0 | 108.9 | I59 L60 V61 V164 S180 Q182 T235 F239 | I59-L162 PolarHBondContact O-N 3.02Å; L60-L162 HydrophobicContact CD1-CB 4.15Å; L60-L162 HydrophobicContact CD1-CD2 3.93Å; L60-L162 HydrophobicContact CD1-CG 3.91Å; V61-L162 PolarHBondContact N-O 2.77Å; L162-V164 HydrophobicContact CG-CG2 4.3Å; L162-S180 WeakPolarHBondContact CA-O 3.4Å; L162-S180 WeakPolarHBondContact CD1-O 3.19Å; L162-Q182 HydrophobicContact CD1-CG 4.27Å; L162-T235 HydrophobicContact CD2-CG2 3.51Å; L162-F239 HydrophobicContact CB-CD1 4.38Å; L162-F239 HydrophobicContact CB-CD2 4.16Å; L162-F239 HydrophobicContact CB-CE1 3.97Å; L162-F239 HydrophobicContact CB-CE2 3.72Å; L162-F239 HydrophobicContact CB-CG 4.47Å; L162-F239 HydrophobicContact CB-CZ 3.62Å; L162-F239 HydrophobicContact CD2-CB 4.05Å; L162-F239 HydrophobicContact CD2-CD1 4.24Å; L162-F239 HydrophobicContact CD2-CD2 3.55Å; L162-F239 HydrophobicContact CD2-CE2 3.99Å; L162-F239 HydrophobicContact CD2-CG 3.69Å; L162-F239 HydrophobicContact CG-CE2 4.5Å |
| 163 | L | 97.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 128.8 | 173 | 178.8 | 63.1 | 0 | 0 | 0 | 109.4 | V61 A145 A146 A149 I167 L175 V179 S180 | V61-L163 HydrophobicContact CB-CD1 4.47Å; V61-L163 HydrophobicContact CG1-CD1 4.39Å; V61-L163 CarbonylContact O-C 3.58Å; V61-L163 WeakPolarHBondContact O-CA 3.45Å; A145-L163 HydrophobicContact CB-CD1 4.25Å; A146-L163 HydrophobicContact CB-CD2 3.85Å; A149-L163 HydrophobicContact CB-CB 4.26Å; A149-L163 HydrophobicContact CB-CD1 4.25Å; L163-I167 HydrophobicContact CD2-CD1 3.97Å; L163-I167 HydrophobicContact CD2-CG1 4.34Å; L163-I167 HydrophobicContact CG-CD1 4.28Å; L163-L175 HydrophobicContact CD2-CD1 4.01Å; L163-L175 HydrophobicContact CD2-CD2 4.37Å; L163-V179 HydrophobicContact CB-CG1 3.66Å; L163-V179 HydrophobicContact CD2-CG1 4.33Å; L163-S180 PolarHBondContact N-O 2.89Å |
| 164 | V | 96.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 104.1 | 170.2 | 179.8 | 0 | 0 | 0 | 0 | 108.4 | L60 V61 G62 F63 L162 T185 M231 L232 T235 | L60-V164 HydrophobicContact CD1-CG2 3.79Å; V61-V164 PolarHBondContact O-N 2.93Å; G62-V164 VanDerWaalsContact CA-O 3.32Å; G62-V164 WeakPolarHBondContact CA-O 3.47Å; F63-V164 WeakPolarHBondContact CA-O 3.31Å; L162-V164 HydrophobicContact CG-CG2 4.3Å; V164-T185 HydrophobicContact CB-CG2 4.43Å; V164-T185 HydrophobicContact CG1-CG2 3.84Å; V164-M231 HydrophobicContact CG1-CB 4.02Å; V164-L232 HydrophobicContact CB-CB 4.33Å; V164-L232 HydrophobicContact CB-CD1 3.82Å; V164-L232 HydrophobicContact CG1-CB 4.01Å; V164-L232 HydrophobicContact CG1-CD1 4.44Å; V164-L232 HydrophobicContact CG2-CD1 4.25Å; V164-T235 HydrophobicContact CG2-CG2 4.44Å |
| 165 | G | 95.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -171.6 | 166.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | F63 S65 I167 T185 | F63-G165 VanDerWaalsContact O-CA 3.24Å; F63-G165 WeakPolarHBondContact O-CA 3.48Å; S65-G165 VanDerWaalsContact OG-CA 3.29Å; S65-G165 WeakPolarHBondContact OG-CA 3.5Å; G165-I167 WeakPolarHBondContact O-CG1 3.36Å; G165-I167 PolarHBondContact O-N 2.95Å; G165-T185 VanDerWaalsContact O-CB 3.25Å; G165-T185 WeakPolarHBondContact O-CB 3.46Å |
| 166 | P | 95 | Very high | 95.8 | Very high | 3 Ų | 3 | 54.5 Ų | 54.5 | 2% | 0.019 | 27% | 0.265 | C | S | . | . | trans | -60.4 | 119.6 | 175.9 | 23 | -29.7 | 0 | 0 | 0 | 111.8 | F63 S65 I187 E191 F222 | F63-P166 WeakPolarHBondContact O-CD 3.07Å; S65-P166 VanDerWaalsContact O-O 3.06Å; S65-P166 VanDerWaalsContact OG-CD 3.3Å; S65-P166 WeakPolarHBondContact OG-CD 3.48Å; S65-P166 VanDerWaalsContact OG-N 3.1Å; S65-P166 PolarHBondContact OG-O 3.04Å; P166-I187 HydrophobicContact CB-CD1 3.54Å; P166-I187 HydrophobicContact CB-CG1 4.24Å; P166-I187 HydrophobicContact CB-CG2 4.42Å; P166-E191 HydrophobicContact CG-CG 4.38Å; P166-F222 HydrophobicContact CB-CB 3.73Å; P166-F222 HydrophobicContact CG-CB 3.88Å | ||
| 167 | I | 95.8 | Very high | 95.9 | Very high | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | B | Isolated β-bridge | trans | -122.6 | 111.3 | -179.8 | -62.4 | 162.9 | 0 | 0 | 0 | 109.1 | L163 G165 L171 K172 L175 M181 T185 I186 I187 | L163-I167 HydrophobicContact CD2-CD1 3.97Å; L163-I167 HydrophobicContact CD2-CG1 4.34Å; L163-I167 HydrophobicContact CG-CD1 4.28Å; G165-I167 WeakPolarHBondContact O-CG1 3.36Å; G165-I167 PolarHBondContact O-N 2.95Å; I167-L171 HydrophobicContact CG1-CD2 4.25Å; I167-L171 HydrophobicContact CG2-CG 4.46Å; I167-K172 HydrophobicContact CG2-CB 3.88Å; I167-L175 HydrophobicContact CD1-CD1 4.47Å; I167-L175 HydrophobicContact CG2-CD1 4.45Å; I167-M181 HydrophobicContact CD1-CB 3.73Å; I167-M181 HydrophobicContact CD1-CE 4.49Å; I167-M181 HydrophobicContact CD1-SD 4.46Å; I167-M181 HydrophobicContact CG2-SD 4.35Å; I167-T185 PolarHBondContact N-O 3.36Å; I167-I186 VanDerWaalsContact O-CA 3.31Å; I167-I186 WeakPolarHBondContact O-CA 3.49Å; I167-I187 PolarHBondContact O-N 2.86Å |
| 168 | G | 95 | Very high | 96.1 | Very high | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.01 | 27% | 0.269 | C | S | . | . | trans | -90.5 | -177.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | K172 I187 D190 | G168-K172 VanDerWaalsContact O-CB 3.25Å; G168-K172 WeakPolarHBondContact O-CB 3.38Å; G168-K172 PolarHBondContact O-N 3.13Å; G168-I187 WeakPolarHBondContact CA-O 3.35Å; G168-D190 VanDerWaalsContact C-CG 3.49Å; G168-D190 WeakPolarHBondContact CA-OD1 3.27Å; G168-D190 PolarHBondContact N-OD1 2.85Å; G168-D190 VanDerWaalsContact N-OD1 3.11Å | ||
| 169 | P | 95 | Very high | 96.3 | Very high | 82 Ų | 82 | 39.9 Ų | 39.9 | 53% | 0.532 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -65.1 | -37.8 | -176.5 | 25 | -34.3 | 0 | 0 | 0 | 114.1 | A173 D190 | P169-A173 PolarHBondContact O-N 3.09Å; P169-D190 WeakPolarHBondContact CD-OD2 3.41Å |
| 170 | K | 94.8 | Very high | 96.3 | Very high | 94 Ų | 94 | 41.1 Ų | 41.1 | 41% | 0.409 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -69.1 | -48.5 | 180 | -70.9 | -172.9 | 177.9 | -174.4 | 0 | 110 | V67 D131 K172 A173 L174 D190 | V67-K170 HydrophobicContact CG2-CB 4.01Å; D131-K170 IonicContact OD2-NZ 3.47Å; D131-K170 PolarHBondContact OD2-NZ 2.8Å; K170-K172 VanDerWaalsContact C-N 3.33Å; K170-K172 PolarHBondContact O-N 2.79Å; K170-A173 PolarHBondContact O-N 2.73Å; K170-A173 VanDerWaalsContact O-N 3.14Å; K170-L174 WeakPolarHBondContact O-CG 3.21Å; K170-L174 PolarHBondContact O-N 3.37Å; K170-D190 WeakPolarHBondContact CB-OD2 3.33Å; K170-D190 PolarHBondContact N-OD2 3.34Å |
| 171 | L | 96.4 | Very high | 96 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.3 | -43.4 | 178.3 | -179.9 | 56 | 0 | 0 | 0 | 111.4 | D66 V67 I141 I167 A173 L174 L175 D190 | D66-L171 WeakPolarHBondContact O-CD1 3.27Å; V67-L171 HydrophobicContact CG2-CB 3.79Å; I141-L171 HydrophobicContact CB-CD1 4.39Å; I141-L171 HydrophobicContact CG1-CD1 4.42Å; I141-L171 HydrophobicContact CG2-CD1 3.94Å; I167-L171 HydrophobicContact CG1-CD2 4.25Å; I167-L171 HydrophobicContact CG2-CG 4.46Å; L171-A173 PolarHBondContact O-N 3.08Å; L171-L174 PolarHBondContact O-N 3.41Å; L171-L175 HydrophobicContact CD1-CD1 4.35Å; L171-L175 HydrophobicContact CD1-CD2 4.2Å; L171-L175 HydrophobicContact CD1-CG 3.93Å; L171-L175 HydrophobicContact CG-CD1 3.99Å; L171-L175 HydrophobicContact CG-CG 4.1Å; L171-L175 WeakPolarHBondContact O-CG 3.24Å; L171-L175 PolarHBondContact O-N 3.19Å; L171-D190 WeakPolarHBondContact CB-OD1 3.45Å; L171-D190 PolarHBondContact N-OD1 3.44Å |
| 172 | K | 96 | Very high | 95.6 | Very high | 107 Ų | 107 | 40.5 Ų | 40.5 | 47% | 0.465 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -56.2 | -36.8 | 176.6 | -178.5 | 172.2 | -178.8 | 179.1 | 0 | 112.8 | I167 G168 K170 M181 | I167-K172 HydrophobicContact CG2-CB 3.88Å; G168-K172 VanDerWaalsContact O-CB 3.25Å; G168-K172 WeakPolarHBondContact O-CB 3.38Å; G168-K172 PolarHBondContact O-N 3.13Å; K170-K172 VanDerWaalsContact C-N 3.33Å; K170-K172 PolarHBondContact O-N 2.79Å; K172-M181 HydrophobicContact CD-SD 3.98Å; K172-M181 HydrophobicContact CG-CE 4.07Å; K172-M181 HydrophobicContact CG-SD 4Å |
| 173 | A | 95.5 | Very high | 95 | Very high | 89 Ų | 89 | 46.8 Ų | 46.8 | 74% | 0.736 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -74.5 | -27.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | P169 K170 L171 | P169-A173 PolarHBondContact O-N 3.09Å; K170-A173 PolarHBondContact O-N 2.73Å; K170-A173 VanDerWaalsContact O-N 3.14Å; L171-A173 PolarHBondContact O-N 3.08Å |
| 174 | L | 95.8 | Very high | 94.5 | Very high | 68 Ų | 68 | 50.2 Ų | 50.2 | 36% | 0.356 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -83.6 | -33.1 | 179.8 | -66.7 | 169.2 | 0 | 0 | 0 | 112.9 | V67 I141 K170 L171 | V67-L174 HydrophobicContact CG1-CD1 4.43Å; I141-L174 HydrophobicContact CD1-CB 4.49Å; I141-L174 HydrophobicContact CG1-CB 3.7Å; K170-L174 WeakPolarHBondContact O-CG 3.21Å; K170-L174 PolarHBondContact O-N 3.37Å; L171-L174 PolarHBondContact O-N 3.41Å |
| 175 | L | 96.8 | Very high | 94 | Very high | 12 Ų | 12 | 50.3 Ų | 50.3 | 6% | 0.063 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -61.6 | 140.8 | -177.8 | -75.5 | 171 | 0 | 0 | 0 | 112.6 | I141 A146 N150 L163 I167 L171 M181 | I141-L175 HydrophobicContact CD1-CD2 4.36Å; I141-L175 HydrophobicContact CG2-CD2 4.22Å; A146-L175 HydrophobicContact CB-CD2 4.36Å; N150-L175 HydrophobicContact CB-CD2 4.34Å; L163-L175 HydrophobicContact CD2-CD1 4.01Å; L163-L175 HydrophobicContact CD2-CD2 4.37Å; I167-L175 HydrophobicContact CD1-CD1 4.47Å; I167-L175 HydrophobicContact CG2-CD1 4.45Å; L171-L175 HydrophobicContact CD1-CD1 4.35Å; L171-L175 HydrophobicContact CD1-CD2 4.2Å; L171-L175 HydrophobicContact CD1-CG 3.93Å; L171-L175 HydrophobicContact CG-CD1 3.99Å; L171-L175 HydrophobicContact CG-CG 4.1Å; L171-L175 WeakPolarHBondContact O-CG 3.24Å; L171-L175 PolarHBondContact O-N 3.19Å; L175-M181 HydrophobicContact CD1-CE 4.09Å |
| 176 | H | 96.2 | Very high | 93.8 | Very high | 70 Ų | 70 | 53.8 Ų | 53.8 | 32% | 0.324 | 31% | 0.313 | S | S | . | . | trans | -57.3 | 136.6 | 173.4 | -174.6 | -99.7 | 0 | 0 | 0 | 111.2 | N150 A153 G178 V179 | N150-H176 WeakPolarHBondContact OD1-CB 3.45Å; N150-H176 PolarHBondContact OD1-N 3.16Å; A153-H176 HydrophobicContact CB-CB 4.34Å; A153-H176 PolarHBondContact O-CE1 3.2Å; A153-H176 VanDerWaalsContact O-CE1 3.23Å; A153-H176 PolarHBondContact O-ND1 3.39Å; H176-G178 PolarHBondContact ND1-N 2.75Å; H176-G178 VanDerWaalsContact ND1-N 3.11Å; H176-G178 PolarHBondContact O-N 3.45Å; H176-V179 HydrophobicContact CB-CG2 4.35Å; H176-V179 WeakPolarHBondContact O-CB 3.3Å; H176-V179 PolarHBondContact O-N 3.1Å | ||
| 177 | P | 95.5 | Very high | 93.7 | Very high | 127 Ų | 127 | 54.8 Ų | 54.8 | 83% | 0.825 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -21.2 | -178 | -27.5 | 35.1 | 0 | 0 | 0 | 115.2 | V179 | P177-V179 VanDerWaalsContact C-N 3.27Å; P177-V179 PolarHBondContact O-N 2.61Å |
| 178 | G | 95.9 | Very high | 93.4 | Very high | 33 Ų | 33 | 60.9 Ų | 60.9 | 34% | 0.34 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -12.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | H176 S180 | H176-G178 PolarHBondContact ND1-N 2.75Å; H176-G178 VanDerWaalsContact ND1-N 3.11Å; H176-G178 PolarHBondContact O-N 3.45Å; G178-S180 PolarHBondContact O-N 3.26Å |
| 179 | V | 97.4 | Very high | 93.3 | Very high | 8 Ų | 8 | 67.8 Ų | 67.8 | 5% | 0.048 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 109 | 175.3 | -177.3 | 0 | 0 | 0 | 0 | 109 | A149 A153 L163 H176 P177 | A149-V179 HydrophobicContact CB-CG1 4.2Å; A149-V179 HydrophobicContact CB-CG2 4.42Å; A153-V179 HydrophobicContact CB-CG2 3.56Å; L163-V179 HydrophobicContact CB-CG1 3.66Å; L163-V179 HydrophobicContact CD2-CG1 4.33Å; H176-V179 HydrophobicContact CB-CG2 4.35Å; H176-V179 WeakPolarHBondContact O-CB 3.3Å; H176-V179 PolarHBondContact O-N 3.1Å; P177-V179 VanDerWaalsContact C-N 3.27Å; P177-V179 PolarHBondContact O-N 2.61Å |
| 180 | S | 96.3 | Very high | 93.2 | Very high | 45 Ų | 45 | 64.5 Ų | 64.5 | 32% | 0.315 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 146.8 | 172.4 | -58.6 | 0 | 0 | 0 | 0 | 110.4 | V161 L162 L163 G178 | V161-S180 VanDerWaalsContact O-CB 3.3Å; V161-S180 WeakPolarHBondContact O-CB 3.38Å; V161-S180 PolarHBondContact O-N 2.8Å; L162-S180 WeakPolarHBondContact CA-O 3.4Å; L162-S180 WeakPolarHBondContact CD1-O 3.19Å; L163-S180 PolarHBondContact N-O 2.89Å; G178-S180 PolarHBondContact O-N 3.26Å |
| 181 | M | 93.3 | Very high | 93.2 | Very high | 53 Ų | 53 | 60.9 Ų | 60.9 | 26% | 0.261 | 35% | 0.346 | S | S | . | . | trans | -136.5 | 162.8 | 177 | 60.2 | -170.8 | 68.5 | 0 | 0 | 110.2 | I167 K172 L175 | I167-M181 HydrophobicContact CD1-CB 3.73Å; I167-M181 HydrophobicContact CD1-CE 4.49Å; I167-M181 HydrophobicContact CD1-SD 4.46Å; I167-M181 HydrophobicContact CG2-SD 4.35Å; K172-M181 HydrophobicContact CD-SD 3.98Å; K172-M181 HydrophobicContact CG-CE 4.07Å; K172-M181 HydrophobicContact CG-SD 4Å; L175-M181 HydrophobicContact CD1-CE 4.09Å | ||
| 182 | Q | 89.4 | Confident | 93.1 | Very high | 46 Ų | 46 | 61.7 Ų | 61.7 | 22% | 0.215 | 35% | 0.35 | C | S | . | . | trans | -102.4 | 156.2 | 174.9 | -65.9 | -179.3 | -6.5 | 0 | 0 | 110.6 | L162 S184 T185 T235 | L162-Q182 HydrophobicContact CD1-CG 4.27Å; Q182-S184 PolarHBondContact O-N 2.85Å; Q182-S184 PolarHBondContact OE1-OG 3.38Å; Q182-T185 HydrophobicContact CB-CG2 4.3Å; Q182-T185 PolarHBondContact N-OG1 3.06Å; Q182-T185 PolarHBondContact O-N 2.86Å; Q182-T185 PolarHBondContact O-OG1 3.33Å; Q182-T235 VanDerWaalsContact NE2-CG2 3.28Å; Q182-T235 PolarHBondContact NE2-OG1 2.94Å | ||
| 183 | N | 86.4 | Confident | 93 | Very high | 144 Ų | 144 | 57 Ų | 57 | 77% | 0.77 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -66.6 | -31.1 | 174.8 | -71.5 | -13.8 | 0 | 0 | 0 | 112 | T185 I186 | N183-T185 PolarHBondContact O-N 2.98Å; N183-I186 PolarHBondContact O-N 3.47Å |
| 184 | S | 85.6 | Confident | 93 | Very high | 71 Ų | 71 | 52.7 Ų | 52.7 | 50% | 0.497 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -68.9 | -15.4 | 178.8 | 50.7 | 0 | 0 | 0 | 0 | 114 | Q182 | Q182-S184 PolarHBondContact O-N 2.85Å; Q182-S184 PolarHBondContact OE1-OG 3.38Å |
| 185 | T | 86.3 | Confident | 92.9 | Very high | 3 Ų | 3 | 49.5 Ų | 49.5 | 2% | 0.018 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -92.7 | -6.3 | 177.9 | 54.1 | 0 | 0 | 0 | 0 | 112.9 | V164 G165 I167 Q182 N183 | V164-T185 HydrophobicContact CB-CG2 4.43Å; V164-T185 HydrophobicContact CG1-CG2 3.84Å; G165-T185 VanDerWaalsContact O-CB 3.25Å; G165-T185 WeakPolarHBondContact O-CB 3.46Å; I167-T185 PolarHBondContact N-O 3.36Å; Q182-T185 HydrophobicContact CB-CG2 4.3Å; Q182-T185 PolarHBondContact N-OG1 3.06Å; Q182-T185 PolarHBondContact O-N 2.86Å; Q182-T185 PolarHBondContact O-OG1 3.33Å; N183-T185 PolarHBondContact O-N 2.98Å |
| 186 | I | 90.6 | Very high | 92.8 | Very high | 72 Ų | 72 | 49 Ų | 49 | 37% | 0.369 | 28% | 0.275 | S | S | . | . | B | Isolated β-bridge | trans | -78.9 | 127.4 | -178.9 | -59.6 | 175 | 0 | 0 | 0 | 109.5 | I167 N183 | I167-I186 VanDerWaalsContact O-CA 3.31Å; I167-I186 WeakPolarHBondContact O-CA 3.49Å; N183-I186 PolarHBondContact O-N 3.47Å |
| 187 | I | 92.7 | Very high | 92.7 | Very high | 24 Ų | 24 | 47.9 Ų | 47.9 | 12% | 0.123 | 27% | 0.27 | C | S | . | . | trans | -117.3 | 154.8 | 175.5 | 60 | 169.1 | 0 | 0 | 0 | 110.7 | P166 I167 G168 R189 E191 F222 | P166-I187 HydrophobicContact CB-CD1 3.54Å; P166-I187 HydrophobicContact CB-CG1 4.24Å; P166-I187 HydrophobicContact CB-CG2 4.42Å; I167-I187 PolarHBondContact O-N 2.86Å; G168-I187 WeakPolarHBondContact CA-O 3.35Å; I187-R189 VanDerWaalsContact C-N 3.34Å; I187-R189 WeakPolarHBondContact CD1-O 3.32Å; I187-R189 WeakPolarHBondContact CG1-O 3.32Å; I187-R189 PolarHBondContact O-N 3.33Å; I187-E191 HydrophobicContact CD1-CG 4.45Å; I187-F222 HydrophobicContact CD1-CD2 3.94Å | ||
| 188 | P | 91.1 | Very high | 92.6 | Very high | 129 Ų | 129 | 41.9 Ų | 41.9 | 84% | 0.838 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -70.5 | -26.9 | -174.4 | 25.8 | -34.8 | 0 | 0 | 0 | 114.2 | ||
| 189 | R | 91.5 | Very high | 92.4 | Very high | 147 Ų | 147 | 48.6 Ų | 48.6 | 56% | 0.555 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -135 | 133.4 | 179.7 | 179.7 | 178.4 | 172.8 | 177.7 | -2.1 | 108.3 | I187 | I187-R189 VanDerWaalsContact C-N 3.34Å; I187-R189 WeakPolarHBondContact CD1-O 3.32Å; I187-R189 WeakPolarHBondContact CG1-O 3.32Å; I187-R189 PolarHBondContact O-N 3.33Å |
| 190 | D | 93.7 | Very high | 92 | Very high | 12 Ų | 12 | 55.6 Ų | 55.6 | 6% | 0.064 | 27% | 0.273 | C | S | . | . | trans | -61.6 | 143.9 | 175.2 | -60.4 | -91.3 | 0 | 0 | 0 | 111.5 | V67 G168 P169 K170 L171 I192 | V67-D190 HydrophobicContact CG2-CB 3.8Å; G168-D190 VanDerWaalsContact C-CG 3.49Å; G168-D190 WeakPolarHBondContact CA-OD1 3.27Å; G168-D190 PolarHBondContact N-OD1 2.85Å; G168-D190 VanDerWaalsContact N-OD1 3.11Å; P169-D190 WeakPolarHBondContact CD-OD2 3.41Å; K170-D190 WeakPolarHBondContact CB-OD2 3.33Å; K170-D190 PolarHBondContact N-OD2 3.34Å; L171-D190 WeakPolarHBondContact CB-OD1 3.45Å; L171-D190 PolarHBondContact N-OD1 3.44Å; D190-I192 HydrophobicContact CB-CD1 4.04Å | ||
| 191 | E | 94.4 | Very high | 91.9 | Very high | 18 Ų | 18 | 55.2 Ų | 55.2 | 8% | 0.084 | 28% | 0.276 | C | S | . | . | trans | -65.6 | 135.8 | 159.1 | -69.1 | -68.3 | -176 | 0 | 0 | 108.4 | D66 V67 P166 I187 Y221 F222 | D66-E191 CarbonylContact C-O 3.54Å; D66-E191 WeakPolarHBondContact CA-O 3.38Å; D66-E191 HydrophobicContact CB-CB 3.78Å; D66-E191 WeakPolarHBondContact CB-O 3.31Å; V67-E191 PolarHBondContact N-O 3.16Å; P166-E191 HydrophobicContact CG-CG 4.38Å; I187-E191 HydrophobicContact CD1-CG 4.45Å; E191-Y221 PolarHBondContact OE1-N 2.63Å; E191-F222 HydrophobicContact CG-CB 4.27Å; E191-F222 HydrophobicContact CG-CD2 4.35Å; E191-F222 WeakPolarHBondContact OE1-CB 3.32Å; E191-F222 WeakPolarHBondContact OE1-CD2 3.26Å; E191-F222 PolarHBondContact OE1-N 3.03Å | ||
| 192 | I | 94.4 | Very high | 91.9 | Very high | 17 Ų | 17 | 54.7 Ų | 54.7 | 9% | 0.087 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 131.3 | -177.2 | -54.4 | -59 | 0 | 0 | 0 | 108.7 | V67 L69 F123 V127 D190 | V67-I192 HydrophobicContact CB-CD1 3.83Å; V67-I192 HydrophobicContact CG1-CD1 4.33Å; V67-I192 WeakPolarHBondContact O-CA 3.44Å; L69-I192 HydrophobicContact CB-CG2 3.92Å; L69-I192 HydrophobicContact CD2-CG2 4.42Å; F123-I192 WeakPolarHBondContact CZ-O 3.32Å; V127-I192 HydrophobicContact CG1-CG2 4.25Å; V127-I192 HydrophobicContact CG2-CB 4.41Å; V127-I192 HydrophobicContact CG2-CG2 3.97Å; D190-I192 HydrophobicContact CB-CD1 4.04Å |
| 193 | H | 94.9 | Very high | 92.1 | Very high | 8 Ų | 8 | 57.1 Ų | 57.1 | 4% | 0.037 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 121.6 | 169.1 | -76.7 | -129 | 0 | 0 | 0 | 108 | D66 V67 D68 L69 I195 I216 D220 | D66-H193 IonicContact OD1-CD2 3.56Å; D66-H193 PolarHBondContact OD1-CD2 3.35Å; D66-H193 IonicContact OD1-CG 2.75Å; D66-H193 IonicContact OD1-NE2 3.67Å; D66-H193 IonicContact OD2-CD2 3.37Å; D66-H193 IonicContact OD2-NE2 3.79Å; V67-H193 PolarHBondContact O-N 2.82Å; D68-H193 WeakPolarHBondContact CA-O 3.25Å; L69-H193 PolarHBondContact N-O 3.29Å; H193-I195 HydrophobicContact CB-CD1 4.38Å; H193-I216 HydrophobicContact CB-CG2 4.5Å; H193-D220 IonicContact CE1-OD2 3.59Å; H193-D220 IonicContact NE2-OD2 3.4Å; H193-D220 PolarHBondContact NE2-OD2 3.3Å |
| 194 | L | 95.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 115 | -179.7 | -179.7 | 66.2 | 0 | 0 | 0 | 109.1 | L69 V71 L76 F123 L126 A130 M196 I216 T217 | L69-L194 HydrophobicContact CB-CD1 4.42Å; L69-L194 HydrophobicContact CD2-CD1 4.25Å; L69-L194 HydrophobicContact CG-CD1 4.32Å; V71-L194 HydrophobicContact CG2-CD1 3.78Å; L76-L194 HydrophobicContact CD2-CD2 3.8Å; F123-L194 HydrophobicContact CE2-CB 4.42Å; L126-L194 HydrophobicContact CB-CD2 4.07Å; A130-L194 HydrophobicContact CB-CD1 3.67Å; L194-M196 HydrophobicContact CD2-CG 4.42Å; L194-M196 HydrophobicContact CG-CG 4.22Å; L194-I216 WeakPolarHBondContact O-CA 3.48Å; L194-T217 HydrophobicContact CB-CG2 3.85Å; L194-T217 HydrophobicContact CD2-CG2 3.93Å; L194-T217 HydrophobicContact CG-CG2 4.27Å; L194-T217 PolarHBondContact N-O 2.89Å; L194-T217 PolarHBondContact O-N 2.97Å |
| 195 | I | 94.5 | Very high | 92.6 | Very high | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 106.5 | -179.2 | -45.4 | -59.3 | 0 | 0 | 0 | 108.6 | D68 L69 I70 V71 H193 E197 R214 I216 V469 | D68-I195 HydrophobicContact CB-CG1 3.86Å; L69-I195 PolarHBondContact O-N 3.37Å; I70-I195 HydrophobicContact CB-CB 4.47Å; I70-I195 HydrophobicContact CG1-CB 4.08Å; I70-I195 HydrophobicContact CG1-CG1 4.16Å; V71-I195 PolarHBondContact N-O 3.04Å; V71-I195 VanDerWaalsContact O-O 3.11Å; H193-I195 HydrophobicContact CB-CD1 4.38Å; I195-E197 HydrophobicContact CG2-CG 4.04Å; I195-E197 PolarHBondContact O-N 3.49Å; I195-R214 HydrophobicContact CG2-CB 3.99Å; I195-R214 HydrophobicContact CG2-CG 4.39Å; I195-I216 HydrophobicContact CD1-CB 4.21Å; I195-I216 HydrophobicContact CD1-CD1 3.87Å; I195-I216 HydrophobicContact CD1-CG1 3.66Å; I195-I216 HydrophobicContact CD1-CG2 3.78Å; I195-V469 HydrophobicContact CD1-CG1 4.34Å; I195-V469 HydrophobicContact CG1-CG1 4.39Å; I195-V469 HydrophobicContact CG2-CG1 3.8Å |
| 196 | M | 94.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 92 | 178.2 | -64.4 | 176.6 | 67.3 | 0 | 0 | 109.6 | V71 L76 L77 L99 F103 L194 R214 F215 | V71-M196 HydrophobicContact CG2-CG 4.42Å; L76-M196 HydrophobicContact CD2-CE 4.2Å; L76-M196 HydrophobicContact CD2-CG 4.25Å; L76-M196 HydrophobicContact CD2-SD 4.24Å; L77-M196 HydrophobicContact CD1-CE 3.83Å; L77-M196 HydrophobicContact CD2-CE 4.04Å; L77-M196 HydrophobicContact CG-CE 3.67Å; L99-M196 HydrophobicContact CD1-SD 4.32Å; F103-M196 HydrophobicContact CD2-CB 4.22Å; F103-M196 HydrophobicContact CD2-CE 3.69Å; F103-M196 HydrophobicContact CD2-SD 4.31Å; F103-M196 HydrophobicContact CE2-CB 3.87Å; F103-M196 HydrophobicContact CE2-CE 3.91Å; F103-M196 HydrophobicContact CG-CE 4.04Å; F103-M196 HydrophobicContact CZ-CE 4.43Å; L194-M196 HydrophobicContact CD2-CG 4.42Å; L194-M196 HydrophobicContact CG-CG 4.22Å; M196-R214 WeakPolarHBondContact O-CA 3.41Å; M196-F215 HydrophobicContact CB-CB 4.26Å; M196-F215 WeakPolarHBondContact CB-O 3.43Å; M196-F215 PolarHBondContact N-O 3.1Å; M196-F215 PolarHBondContact O-N 3.47Å; M196-F215 HydrophobicContact SD-CD1 3.88Å; M196-F215 HydrophobicContact SD-CE1 4.49Å |
| 197 | E | 93.6 | Very high | 92.9 | Very high | 48 Ų | 48 | 57.4 Ų | 57.4 | 22% | 0.224 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 148.7 | 179.7 | -65.6 | -166.4 | 146.2 | 0 | 0 | 112.3 | I70 V71 G73 I195 R214 T468 | I70-E197 HydrophobicContact CG2-CG 3.93Å; V71-E197 PolarHBondContact O-N 3.08Å; G73-E197 PolarHBondContact N-O 3.36Å; I195-E197 HydrophobicContact CG2-CG 4.04Å; I195-E197 PolarHBondContact O-N 3.49Å; E197-R214 HydrophobicContact CG-CB 4.28Å; E197-T468 WeakPolarHBondContact OE1-CB 3.39Å; E197-T468 WeakPolarHBondContact OE1-CG2 3.34Å; E197-T468 PolarHBondContact OE1-N 2.87Å; E197-T468 PolarHBondContact OE1-OG1 3.09Å |
| 198 | F | 92.6 | Very high | 92.9 | Very high | 1 Ų | 1 | 60.2 Ų | 60.2 | 0% | 0.004 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 151.5 | 170 | 55 | -95.4 | 0 | 0 | 0 | 111.1 | F103 F107 E202 A209 S213 | F103-F198 AromaticContact CE2-CD1 3.84Å; F103-F198 HydrophobicContact CE2-CD1 3.84Å; F103-F198 HydrophobicContact CE2-CE1 4.26Å; F103-F198 AromaticContact CZ-CD1 3.99Å; F103-F198 HydrophobicContact CZ-CD1 3.99Å; F107-F198 HydrophobicContact CB-CE1 4.47Å; F107-F198 HydrophobicContact CB-CZ 4.47Å; F107-F198 HydrophobicContact CD2-CB 3.68Å; F107-F198 AromaticContact CD2-CD1 3.91Å; F107-F198 HydrophobicContact CD2-CD1 3.91Å; F107-F198 AromaticContact CD2-CD2 3.82Å; F107-F198 HydrophobicContact CD2-CD2 3.82Å; F107-F198 HydrophobicContact CD2-CE1 4.48Å; F107-F198 HydrophobicContact CD2-CE2 4.38Å; F107-F198 AromaticContact CD2-CG 3.53Å; F107-F198 HydrophobicContact CD2-CG 3.53Å; F107-F198 HydrophobicContact CE2-CB 3.63Å; F107-F198 HydrophobicContact CE2-CD2 4.21Å; F107-F198 AromaticContact CE2-CG 3.97Å; F107-F198 HydrophobicContact CE2-CG 3.97Å; F198-E202 WeakPolarHBondContact CA-OE2 3.46Å; F198-A209 HydrophobicContact CD2-CB 3.68Å; F198-A209 HydrophobicContact CE2-CB 4.12Å; F198-S213 VanDerWaalsContact CZ-CB 3.48Å; F198-S213 PolarHBondContact N-O 2.96Å; F198-S213 PolarHBondContact O-N 3.12Å; F198-S213 VanDerWaalsContact O-N 3.12Å; F198-S213 VanDerWaalsContact O-O 3.09Å |
| 199 | R | 92.2 | Very high | 93 | Very high | 173 Ų | 173 | 54.1 Ų | 54.1 | 65% | 0.653 | 28% | 0.275 | S | S | * | . | trans | -103.1 | 155.8 | -169.1 | -61 | -179.4 | 176 | 176.1 | -0.2 | 112.1 | G201 E202 A209 Y212 | R199-G201 PolarHBondContact O-N 2.75Å; R199-E202 HydrophobicContact CB-CB 4.33Å; R199-E202 PolarHBondContact N-OE2 2.65Å; R199-E202 WeakPolarHBondContact O-CB 3.33Å; R199-E202 PolarHBondContact O-N 2.89Å; R199-A209 VanDerWaalsContact O-CB 3.3Å; R199-A209 WeakPolarHBondContact O-CB 3.46Å; R199-Y212 HydrophobicContact CB-CD1 4.01Å; R199-Y212 HydrophobicContact CB-CE1 3.74Å; R199-Y212 HydrophobicContact CG-CD1 4.07Å; R199-Y212 HydrophobicContact CG-CE1 3.83Å | ||
| 200 | Y | 90.3 | Very high | 93 | Very high | 155 Ų | 155 | 50.1 Ų | 50.1 | 61% | 0.608 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | 129.2 | 169.2 | 172.8 | -97.7 | 0 | 0 | 0 | 111.3 | E202 P210 Y212 | Y200-E202 PolarHBondContact O-N 3.12Å; Y200-P210 WeakPolarHBondContact CD2-O 3.28Å; Y200-Y212 VanDerWaalsContact CB-CE2 3.47Å |
| 201 | G | 92.9 | Very high | 92.6 | Very high | 38 Ų | 38 | 50.4 Ų | 50.4 | 39% | 0.392 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.9 | 3.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | R199 A209 | R199-G201 PolarHBondContact O-N 2.75Å; G201-A209 PolarHBondContact N-O 3.16Å |
| 202 | E | 94.1 | Very high | 92.4 | Very high | 41 Ų | 41 | 53.8 Ų | 53.8 | 19% | 0.192 | 29% | 0.286 | C | S | . | . | trans | -65.2 | 141.5 | 171.3 | -171.3 | 169.3 | 176.4 | 0 | 0 | 110.2 | T74 F107 F198 R199 Y200 V208 A209 | T74-E202 WeakPolarHBondContact CB-OE1 3.42Å; T74-E202 HydrophobicContact CG2-CG 4.3Å; T74-E202 VanDerWaalsContact CG2-OE1 3.23Å; T74-E202 WeakPolarHBondContact CG2-OE1 3.38Å; T74-E202 PolarHBondContact OG1-OE1 2.91Å; F107-E202 HydrophobicContact CE2-CB 4.4Å; F107-E202 HydrophobicContact CE2-CG 4.3Å; F107-E202 HydrophobicContact CZ-CB 4.24Å; F107-E202 HydrophobicContact CZ-CG 4.27Å; F107-E202 VanDerWaalsContact CZ-O 3.25Å; F107-E202 WeakPolarHBondContact CZ-O 3.24Å; F198-E202 WeakPolarHBondContact CA-OE2 3.46Å; R199-E202 HydrophobicContact CB-CB 4.33Å; R199-E202 PolarHBondContact N-OE2 2.65Å; R199-E202 WeakPolarHBondContact O-CB 3.33Å; R199-E202 PolarHBondContact O-N 2.89Å; Y200-E202 PolarHBondContact O-N 3.12Å; E202-V208 WeakPolarHBondContact O-CA 3.35Å; E202-A209 PolarHBondContact O-N 2.05Å | ||
| 203 | T | 93.9 | Very high | 92.2 | Very high | 98 Ų | 98 | 53.1 Ų | 53.1 | 60% | 0.601 | 28% | 0.283 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 136.4 | -178.6 | 59.1 | 0 | 0 | 0 | 0 | 110.4 | Y207 V208 | T203-Y207 WeakPolarHBondContact CA-O 3.25Å; T203-V208 HydrophobicContact CG2-CG2 4.24Å |
| 204 | W | 91.9 | Very high | 92 | Very high | 12 Ų | 12 | 56.1 Ų | 56.1 | 5% | 0.045 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 101.7 | 171.8 | -173.2 | 50.6 | 0 | 0 | 0 | 109 | T74 L77 P84 E100 F103 S104 F107 D206 Y207 | T74-W204 HydrophobicContact CG2-CB 3.82Å; T74-W204 HydrophobicContact CG2-CG 3.92Å; L77-W204 HydrophobicContact CB-CZ2 3.97Å; L77-W204 HydrophobicContact CD1-CH2 3.42Å; L77-W204 VanDerWaalsContact CD1-CH2 3.42Å; L77-W204 HydrophobicContact CD1-CZ2 3.38Å; L77-W204 HydrophobicContact CD1-CZ3 4.27Å; L77-W204 HydrophobicContact CG-CZ2 4.32Å; P84-W204 HydrophobicContact CB-CD2 3.95Å; P84-W204 HydrophobicContact CB-CE3 3.96Å; P84-W204 HydrophobicContact CB-CH2 4.08Å; P84-W204 HydrophobicContact CB-CZ2 4.09Å; P84-W204 HydrophobicContact CB-CZ3 4.02Å; P84-W204 HydrophobicContact CG-CD2 4.19Å; P84-W204 HydrophobicContact CG-CG 4.38Å; E100-W204 HydrophobicContact CG-CH2 3.84Å; E100-W204 HydrophobicContact CG-CZ2 4.31Å; F103-W204 AromaticContact CD1-CE3 3.8Å; F103-W204 HydrophobicContact CD1-CE3 3.8Å; F103-W204 AromaticContact CD1-CH2 3.61Å; F103-W204 HydrophobicContact CD1-CH2 3.61Å; F103-W204 HydrophobicContact CD1-CZ2 4.36Å; F103-W204 AromaticContact CD1-CZ3 3.28Å; F103-W204 HydrophobicContact CD1-CZ3 3.28Å; F103-W204 HydrophobicContact CE1-CD2 4.19Å; F103-W204 AromaticContact CE1-CE3 3.72Å; F103-W204 HydrophobicContact CE1-CE3 3.72Å; F103-W204 HydrophobicContact CE1-CH2 4.19Å; F103-W204 AromaticContact CE1-CZ3 3.72Å; F103-W204 HydrophobicContact CE1-CZ3 3.72Å; F103-W204 HydrophobicContact CG-CZ3 4.44Å; S104-W204 WeakPolarHBondContact OG-CZ3 3.23Å; F107-W204 HydrophobicContact CD1-CB 4.41Å; F107-W204 HydrophobicContact CE1-CB 3.82Å; F107-W204 HydrophobicContact CE2-CB 4.16Å; F107-W204 HydrophobicContact CG-CE3 4.5Å; F107-W204 HydrophobicContact CZ-CB 3.67Å; W204-D206 PolarHBondContact O-N 3.01Å; W204-Y207 PolarHBondContact N-O 2.87Å; W204-Y207 PolarHBondContact O-N 3.41Å |
| 205 | G | 90 | Very high | 92 | Very high | 57 Ų | 57 | 56.1 Ų | 56.1 | 59% | 0.588 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.1 | -130 | -164.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y207 | G205-Y207 VanDerWaalsContact C-N 3.3Š|
| 206 | D | 90 | Very high | 91.9 | Very high | 166 Ų | 166 | 57.2 Ų | 57.2 | 89% | 0.888 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -7.9 | 177.8 | -64.7 | -31.9 | 0 | 0 | 0 | 113.4 | W204 | W204-D206 PolarHBondContact O-N 3.01Š|
| 207 | Y | 92.5 | Very high | 91.9 | Very high | 61 Ų | 61 | 57.2 Ų | 57.2 | 24% | 0.239 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 143.2 | -178.9 | -57.2 | -66.2 | 0 | 0 | 0 | 111.6 | P84 S85 A87 T203 W204 G205 | P84-Y207 HydrophobicContact CB-CD2 4.09Å; P84-Y207 HydrophobicContact CB-CE2 4.07Å; S85-Y207 PolarHBondContact O-OH 2.83Å; A87-Y207 PolarHBondContact N-OH 2.81Å; T203-Y207 WeakPolarHBondContact CA-O 3.25Å; W204-Y207 PolarHBondContact N-O 2.87Å; W204-Y207 PolarHBondContact O-N 3.41Å; G205-Y207 VanDerWaalsContact C-N 3.3Å |
| 208 | V | 93.9 | Very high | 91.9 | Very high | 83 Ų | 83 | 55 Ų | 55 | 50% | 0.503 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 125.2 | 171.1 | -173.8 | 0 | 0 | 0 | 0 | 108.6 | E202 T203 P210 | E202-V208 WeakPolarHBondContact O-CA 3.35Å; T203-V208 HydrophobicContact CG2-CG2 4.24Å; V208-P210 WeakPolarHBondContact O-CD 3.35Å |
| 209 | A | 92.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 30% | 0.298 | C | S | . | . | trans | -69.2 | 123 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111 | F107 F198 R199 G201 E202 G211 | F107-A209 HydrophobicContact CD1-CB 4.4Å; F107-A209 HydrophobicContact CD2-CB 4.34Å; F107-A209 HydrophobicContact CE1-CB 4.05Å; F107-A209 HydrophobicContact CE2-CB 4Å; F107-A209 HydrophobicContact CZ-CB 3.85Å; F198-A209 HydrophobicContact CD2-CB 3.68Å; F198-A209 HydrophobicContact CE2-CB 4.12Å; R199-A209 VanDerWaalsContact O-CB 3.3Å; R199-A209 WeakPolarHBondContact O-CB 3.46Å; G201-A209 PolarHBondContact N-O 3.16Å; E202-A209 PolarHBondContact O-N 2.05Å; A209-G211 PolarHBondContact O-N 3.02Å | ||
| 210 | P | 91 | Very high | 91.6 | Very high | 64 Ų | 64 | 49.3 Ų | 49.3 | 42% | 0.416 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -79.5 | -2.2 | -177.2 | 32.7 | -35.5 | 0 | 0 | 0 | 113.4 | F107 R109 Y200 V208 | F107-P210 WeakPolarHBondContact O-CD 3.38Å; R109-P210 VanDerWaalsContact C-CG 3.44Å; R109-P210 WeakPolarHBondContact O-CG 3.21Å; Y200-P210 WeakPolarHBondContact CD2-O 3.28Å; V208-P210 WeakPolarHBondContact O-CD 3.35Å |
| 211 | G | 86.5 | Confident | 91.2 | Very high | 18 Ų | 18 | 49 Ų | 49 | 19% | 0.186 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -168.3 | 166.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | A209 S213 | A209-G211 PolarHBondContact O-N 3.02Å; G211-S213 PolarHBondContact O-N 3.47Å |
| 212 | Y | 88.5 | Confident | 90.7 | Very high | 89 Ų | 89 | 51.2 Ų | 51.2 | 35% | 0.349 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -71.1 | 123.3 | 166.8 | -68.2 | -93.8 | 0 | 0 | 0 | 108.9 | R199 Y200 | R199-Y212 HydrophobicContact CB-CD1 4.01Å; R199-Y212 HydrophobicContact CB-CE1 3.74Å; R199-Y212 HydrophobicContact CG-CD1 4.07Å; R199-Y212 HydrophobicContact CG-CE1 3.83Å; Y200-Y212 VanDerWaalsContact CB-CE2 3.47Å |
| 213 | S | 90 | Very high | 90.2 | Very high | 3 Ų | 3 | 49.2 Ų | 49.2 | 2% | 0.021 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | -178.1 | 178.4 | -174.5 | 0 | 0 | 0 | 0 | 110.1 | L111 P112 F198 G211 | L111-S213 VanDerWaalsContact C-OG 3.25Å; L111-S213 PolarHBondContact O-OG 2.84Å; P112-S213 WeakPolarHBondContact CA-OG 3.2Å; P112-S213 VanDerWaalsContact N-OG 3.14Å; F198-S213 VanDerWaalsContact CZ-CB 3.48Å; F198-S213 PolarHBondContact N-O 2.96Å; F198-S213 PolarHBondContact O-N 3.12Å; F198-S213 VanDerWaalsContact O-N 3.12Å; F198-S213 VanDerWaalsContact O-O 3.09Å; G211-S213 PolarHBondContact O-N 3.47Å |
| 214 | R | 91.9 | Very high | 89.5 | Confident | 70 Ų | 70 | 44.7 Ų | 44.7 | 26% | 0.264 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 153.5 | -178.3 | 67.2 | -131.3 | -175.7 | -120.8 | 9.6 | 111.1 | P112 I195 M196 E197 I216 T468 | P112-R214 WeakPolarHBondContact CA-O 3.16Å; I195-R214 HydrophobicContact CG2-CB 3.99Å; I195-R214 HydrophobicContact CG2-CG 4.39Å; M196-R214 WeakPolarHBondContact O-CA 3.41Å; E197-R214 HydrophobicContact CG-CB 4.28Å; R214-I216 HydrophobicContact CG-CD1 4.41Å; R214-I216 HydrophobicContact CG-CG1 4.16Å; R214-T468 WeakPolarHBondContact CD-OG1 3.4Å; R214-T468 PolarHBondContact NE-O 3.42Å; R214-T468 PolarHBondContact NH1-O 2.84Å; R214-T468 PolarHBondContact NH2-O 2.96Å |
| 215 | F | 93.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 131.3 | 164.3 | 177.4 | -99.3 | 0 | 0 | 0 | 108.5 | I93 L99 V102 F103 A113 R115 M196 T217 | I93-F215 HydrophobicContact CD1-CE1 4.29Å; I93-F215 HydrophobicContact CD1-CZ 3.83Å; L99-F215 HydrophobicContact CD1-CD1 4.32Å; L99-F215 HydrophobicContact CD1-CE1 3.51Å; L99-F215 HydrophobicContact CD1-CZ 4.28Å; V102-F215 HydrophobicContact CB-CE2 4.2Å; V102-F215 HydrophobicContact CB-CZ 4.34Å; V102-F215 HydrophobicContact CG1-CD2 4.36Å; V102-F215 HydrophobicContact CG1-CE2 3.49Å; V102-F215 VanDerWaalsContact CG1-CE2 3.49Å; V102-F215 HydrophobicContact CG1-CZ 4.06Å; F103-F215 HydrophobicContact CD2-CB 3.58Å; F103-F215 HydrophobicContact CD2-CD1 4.12Å; F103-F215 AromaticContact CD2-CG 3.97Å; F103-F215 HydrophobicContact CD2-CG 3.97Å; F103-F215 HydrophobicContact CE2-CB 4.06Å; A113-F215 HydrophobicContact CB-CD2 3.99Å; A113-F215 HydrophobicContact CB-CE2 4.23Å; R115-F215 HydrophobicContact CB-CE2 4.37Å; R115-F215 HydrophobicContact CB-CZ 3.94Å; R115-F215 HydrophobicContact CG-CE2 3.92Å; R115-F215 HydrophobicContact CG-CZ 3.93Å; M196-F215 HydrophobicContact CB-CB 4.26Å; M196-F215 WeakPolarHBondContact CB-O 3.43Å; M196-F215 PolarHBondContact N-O 3.1Å; M196-F215 PolarHBondContact O-N 3.47Å; M196-F215 HydrophobicContact SD-CD1 3.88Å; M196-F215 HydrophobicContact SD-CE1 4.49Å; F215-T217 HydrophobicContact CE1-CG2 4.41Å |
| 216 | I | 94.1 | Very high | 89.2 | Confident | 25 Ų | 25 | 43.7 Ų | 43.7 | 13% | 0.128 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 133.7 | -177.5 | -56.3 | -178.8 | 0 | 0 | 0 | 108.2 | A113 E114 R115 H193 L194 I195 R214 | A113-I216 PolarHBondContact O-N 2.94Å; E114-I216 CarbonylContact C-O 3.45Å; E114-I216 VanDerWaalsContact CA-O 3.27Å; E114-I216 WeakPolarHBondContact CA-O 3.47Å; E114-I216 HydrophobicContact CB-CB 4.08Å; E114-I216 HydrophobicContact CG-CB 3.94Å; E114-I216 HydrophobicContact CG-CG2 3.86Å; R115-I216 PolarHBondContact N-O 3.11Å; H193-I216 HydrophobicContact CB-CG2 4.5Å; L194-I216 WeakPolarHBondContact O-CA 3.48Å; I195-I216 HydrophobicContact CD1-CB 4.21Å; I195-I216 HydrophobicContact CD1-CD1 3.87Å; I195-I216 HydrophobicContact CD1-CG1 3.66Å; I195-I216 HydrophobicContact CD1-CG2 3.78Å; R214-I216 HydrophobicContact CG-CD1 4.41Å; R214-I216 HydrophobicContact CG-CG1 4.16Å |
| 217 | T | 94.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 140.7 | 170.6 | -169 | 0 | 0 | 0 | 0 | 111.5 | L99 R115 V117 F123 L194 F215 | L99-T217 HydrophobicContact CD1-CG2 4.36Å; R115-T217 VanDerWaalsContact O-CA 3.28Å; R115-T217 WeakPolarHBondContact O-CA 3.42Å; R115-T217 PolarHBondContact O-OG1 3.33Å; V117-T217 WeakPolarHBondContact CG2-OG1 2.97Å; F123-T217 HydrophobicContact CE2-CG2 4.37Å; L194-T217 HydrophobicContact CB-CG2 3.85Å; L194-T217 HydrophobicContact CD2-CG2 3.93Å; L194-T217 HydrophobicContact CG-CG2 4.27Å; L194-T217 PolarHBondContact N-O 2.89Å; L194-T217 PolarHBondContact O-N 2.97Å; F215-T217 HydrophobicContact CE1-CG2 4.41Å |
| 218 | S | 93.4 | Very high | 89.2 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.007 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 162.4 | -177.1 | 63.1 | 0 | 0 | 0 | 0 | 112.1 | R115 Y116 V117 | R115-S218 PolarHBondContact O-N 2.78Å; Y116-S218 WeakPolarHBondContact CA-O 3.47Å; Y116-S218 WeakPolarHBondContact CD2-O 3.19Å; V117-S218 PolarHBondContact N-O 3.13Å |
| 219 | H | 91.4 | Very high | 89.2 | Confident | 38 Ų | 38 | 35 Ų | 35 | 18% | 0.176 | 17% | 0.172 | C | C | . | . | trans | -124.9 | 53.5 | 166.7 | -171.2 | 81.6 | 0 | 0 | 0 | 108.9 | Y116 V117 F123 Y221 | Y116-H219 AromaticContact CE2-ND1 3.92Å; Y116-H219 AromaticContact CZ-CE1 3.87Å; Y116-H219 AromaticContact CZ-ND1 3.59Å; Y116-H219 PolarHBondContact OH-CE1 3.31Å; Y116-H219 PolarHBondContact OH-ND1 2.77Å; V117-H219 PolarHBondContact O-ND1 2.93Å; F123-H219 HydrophobicContact CB-CB 3.96Å; F123-H219 HydrophobicContact CD1-CB 3.38Å; F123-H219 HydrophobicContact CD2-CB 4.28Å; F123-H219 HydrophobicContact CE1-CB 3.91Å; F123-H219 HydrophobicContact CG-CB 3.59Å; H219-Y221 PolarHBondContact O-N 2.8Å | ||
| 220 | D | 86 | Confident | 89.3 | Confident | 16 Ų | 16 | 37.3 Ų | 37.3 | 9% | 0.086 | 18% | 0.184 | C | C | . | . | trans | -75.7 | 115.9 | -173.2 | -169.8 | -35 | 0 | 0 | 0 | 111.6 | H193 F222 S223 | H193-D220 IonicContact CE1-OD2 3.59Å; H193-D220 IonicContact NE2-OD2 3.4Å; H193-D220 PolarHBondContact NE2-OD2 3.3Å; D220-F222 PolarHBondContact OD1-N 3.44Å; D220-S223 VanDerWaalsContact CG-CB 3.47Å; D220-S223 WeakPolarHBondContact OD1-CB 3.5Å; D220-S223 PolarHBondContact OD1-N 3Å; D220-S223 PolarHBondContact OD1-OG 3.17Å; D220-S223 WeakPolarHBondContact OD2-CB 3.46Å; D220-S223 PolarHBondContact OD2-OG 3.29Å | ||
| 221 | Y | 81.6 | Confident | 89.4 | Confident | 148 Ų | 148 | 36 Ų | 36 | 58% | 0.58 | 17% | 0.173 | S | C | * | . | S | Bend | trans | -100.2 | -38.4 | -179.2 | -170.6 | -100.5 | 0 | 0 | 0 | 112.3 | E191 H219 | E191-Y221 PolarHBondContact OE1-N 2.63Å; H219-Y221 PolarHBondContact O-N 2.8Å |
| 222 | F | 83.7 | Confident | 89.8 | Confident | 85 Ų | 85 | 35.2 Ų | 35.2 | 37% | 0.373 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -90.2 | -35.6 | -168.5 | -68.2 | -64.3 | 0 | 0 | 0 | 114.5 | P166 I187 E191 D220 G224 S225 | P166-F222 HydrophobicContact CB-CB 3.73Å; P166-F222 HydrophobicContact CG-CB 3.88Å; I187-F222 HydrophobicContact CD1-CD2 3.94Å; E191-F222 HydrophobicContact CG-CB 4.27Å; E191-F222 HydrophobicContact CG-CD2 4.35Å; E191-F222 WeakPolarHBondContact OE1-CB 3.32Å; E191-F222 WeakPolarHBondContact OE1-CD2 3.26Å; E191-F222 PolarHBondContact OE1-N 3.03Å; D220-F222 PolarHBondContact OD1-N 3.44Å; F222-G224 VanDerWaalsContact C-N 3.25Å; F222-G224 PolarHBondContact O-N 3.12Å; F222-S225 VanDerWaalsContact O-CB 3.3Å; F222-S225 WeakPolarHBondContact O-CB 3.45Å; F222-S225 PolarHBondContact O-N 3.46Å; F222-S225 PolarHBondContact O-OG 3.48Å |
| 223 | S | 82.2 | Confident | 90.2 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -44.6 | -173 | -69.8 | 0 | 0 | 0 | 0 | 110 | F63 D220 S225 | F63-S223 WeakPolarHBondContact CD2-O 3.49Å; F63-S223 VanDerWaalsContact CE2-O 3.29Å; F63-S223 WeakPolarHBondContact CE2-O 3.4Å; D220-S223 VanDerWaalsContact CG-CB 3.47Å; D220-S223 WeakPolarHBondContact OD1-CB 3.5Å; D220-S223 PolarHBondContact OD1-N 3Å; D220-S223 PolarHBondContact OD1-OG 3.17Å; D220-S223 WeakPolarHBondContact OD2-CB 3.46Å; D220-S223 PolarHBondContact OD2-OG 3.29Å; S223-S225 PolarHBondContact O-N 3.33Å |
| 224 | G | 79.8 | Confident | 90.4 | Very high | 3 Ų | 3 | 36.3 Ų | 36.3 | 3% | 0.031 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | 9.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 116 | F222 L252 K263 | F222-G224 VanDerWaalsContact C-N 3.25Å; F222-G224 PolarHBondContact O-N 3.12Å; G224-L252 WeakPolarHBondContact O-CD2 3.44Å; G224-K263 VanDerWaalsContact O-CD 3.3Å; G224-K263 WeakPolarHBondContact O-CD 3.1Å; G224-K263 VanDerWaalsContact O-CE 3.31Å; G224-K263 WeakPolarHBondContact O-CE 3.47Å; G224-K263 PolarHBondContact O-NZ 3.44Å |
| 225 | S | 87.4 | Confident | 90.5 | Very high | 14 Ų | 14 | 33.2 Ų | 33.2 | 10% | 0.098 | 17% | 0.165 | C | C | . | . | trans | -72.2 | 147.7 | -173.1 | 71.1 | 0 | 0 | 0 | 0 | 113.1 | F222 S223 I227 V228 I229 | F222-S225 VanDerWaalsContact O-CB 3.3Å; F222-S225 WeakPolarHBondContact O-CB 3.45Å; F222-S225 PolarHBondContact O-N 3.46Å; F222-S225 PolarHBondContact O-OG 3.48Å; S223-S225 PolarHBondContact O-N 3.33Å; S225-I227 PolarHBondContact O-N 3.3Å; S225-V228 PolarHBondContact O-N 3.33Å; S225-V228 VanDerWaalsContact OG-CG2 3.27Å; S225-V228 WeakPolarHBondContact OG-CG2 3.43Å; S225-V228 PolarHBondContact OG-N 3.35Å; S225-I229 WeakPolarHBondContact O-CG1 3.49Å; S225-I229 PolarHBondContact O-N 3.27Å; S225-I229 VanDerWaalsContact O-N 3.12Å | ||
| 226 | S | 88.6 | Confident | 90.6 | Very high | 34 Ų | 34 | 34.7 Ų | 34.7 | 24% | 0.238 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.7 | -31.9 | 176.8 | -54.8 | 0 | 0 | 0 | 0 | 111.8 | I229 D230 K263 | S226-I229 PolarHBondContact O-N 2.77Å; S226-D230 WeakPolarHBondContact O-CB 3.41Å; S226-D230 PolarHBondContact O-N 3.22Å; S226-K263 VanDerWaalsContact OG-CE 3.31Å; S226-K263 WeakPolarHBondContact OG-CE 3.27Å |
| 227 | I | 90.3 | Very high | 90.6 | Very high | 121 Ų | 121 | 37.8 Ų | 37.8 | 62% | 0.621 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -62.4 | -49.1 | 178.5 | -53.3 | 176.9 | 0 | 0 | 0 | 110.2 | S225 D230 M231 | S225-I227 PolarHBondContact O-N 3.3Å; I227-D230 PolarHBondContact O-N 3.37Å; I227-M231 HydrophobicContact CB-CE 4.49Å; I227-M231 HydrophobicContact CG2-CE 3.67Å; I227-M231 WeakPolarHBondContact O-CB 3.32Å; I227-M231 VanDerWaalsContact O-CG 3.29Å; I227-M231 WeakPolarHBondContact O-CG 3.46Å; I227-M231 PolarHBondContact O-N 3.31Å |
| 228 | V | 92.4 | Very high | 90.6 | Very high | 7 Ų | 7 | 44.7 Ų | 44.7 | 4% | 0.042 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.4 | -41.4 | 179.4 | 178.5 | 0 | 0 | 0 | 0 | 111.1 | F63 S225 D230 M231 L232 | F63-V228 HydrophobicContact CB-CG1 3.73Å; S225-V228 PolarHBondContact O-N 3.33Å; S225-V228 VanDerWaalsContact OG-CG2 3.27Å; S225-V228 WeakPolarHBondContact OG-CG2 3.43Å; S225-V228 PolarHBondContact OG-N 3.35Å; V228-D230 PolarHBondContact O-N 2.86Å; V228-M231 HydrophobicContact CB-CE 4.37Å; V228-M231 HydrophobicContact CG2-CE 3.87Å; V228-M231 PolarHBondContact O-N 3.17Å; V228-L232 PolarHBondContact O-N 3.04Å |
| 229 | I | 93.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -57.1 | -49.8 | 174.7 | -66.5 | 167.8 | 0 | 0 | 0 | 110.4 | F63 S225 S226 L232 F233 K263 L266 I267 | F63-I229 HydrophobicContact CD1-CG1 3.91Å; F63-I229 HydrophobicContact CE1-CD1 4.19Å; F63-I229 HydrophobicContact CE1-CG1 3.63Å; F63-I229 HydrophobicContact CE2-CG1 4.38Å; F63-I229 HydrophobicContact CG-CG1 4.39Å; F63-I229 HydrophobicContact CZ-CD1 4.05Å; F63-I229 HydrophobicContact CZ-CG1 3.87Å; S225-I229 WeakPolarHBondContact O-CG1 3.49Å; S225-I229 PolarHBondContact O-N 3.27Å; S225-I229 VanDerWaalsContact O-N 3.12Å; S226-I229 PolarHBondContact O-N 2.77Å; I229-L232 PolarHBondContact O-N 2.94Å; I229-F233 HydrophobicContact CG2-CD2 4.12Å; I229-F233 HydrophobicContact CG2-CE2 4.07Å; I229-F233 VanDerWaalsContact O-CD2 3.25Å; I229-F233 WeakPolarHBondContact O-CD2 3.25Å; I229-F233 PolarHBondContact O-N 2.88Å; I229-K263 HydrophobicContact CD1-CB 4.21Å; I229-K263 HydrophobicContact CD1-CD 4.41Å; I229-K263 HydrophobicContact CD1-CG 4.3Å; I229-L266 HydrophobicContact CB-CD2 4.47Å; I229-L266 HydrophobicContact CG2-CD2 4.04Å; I229-L266 HydrophobicContact CG2-CG 4.23Å; I229-I267 HydrophobicContact CD1-CD1 4.13Å; I229-I267 HydrophobicContact CD1-CG1 4.27Å; I229-I267 HydrophobicContact CG2-CG1 3.82Å |
| 230 | D | 93.9 | Very high | 91 | Very high | 48 Ų | 48 | 53.1 Ų | 53.1 | 26% | 0.257 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64.4 | -40.7 | 178.4 | -80.4 | -32.7 | 0 | 0 | 0 | 112.1 | S226 I227 V228 L232 F233 N234 L266 H270 | S226-D230 WeakPolarHBondContact O-CB 3.41Å; S226-D230 PolarHBondContact O-N 3.22Å; I227-D230 PolarHBondContact O-N 3.37Å; V228-D230 PolarHBondContact O-N 2.86Å; D230-L232 VanDerWaalsContact C-N 3.3Å; D230-L232 PolarHBondContact O-N 3.33Å; D230-F233 PolarHBondContact O-N 2.83Å; D230-N234 WeakPolarHBondContact O-CB 3.4Å; D230-N234 PolarHBondContact O-N 3.45Å; D230-N234 PolarHBondContact O-ND2 2.9Å; D230-N234 VanDerWaalsContact O-ND2 3.14Å; D230-L266 WeakPolarHBondContact OD1-CD1 3.1Å; D230-H270 IonicContact OD1-CD2 3.27Å; D230-H270 IonicContact OD1-CE1 2.73Å; D230-H270 IonicContact OD1-NE2 2.91Å; D230-H270 PolarHBondContact OD1-NE2 3.33Å |
| 231 | M | 94 | Very high | 91.6 | Very high | 37 Ų | 37 | 52.7 Ų | 52.7 | 18% | 0.182 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57.8 | -42.3 | 176.2 | -79.2 | -170 | -77.8 | 0 | 0 | 112.2 | V164 I227 V228 T235 | V164-M231 HydrophobicContact CG1-CB 4.02Å; I227-M231 HydrophobicContact CB-CE 4.49Å; I227-M231 HydrophobicContact CG2-CE 3.67Å; I227-M231 WeakPolarHBondContact O-CB 3.32Å; I227-M231 VanDerWaalsContact O-CG 3.29Å; I227-M231 WeakPolarHBondContact O-CG 3.46Å; I227-M231 PolarHBondContact O-N 3.31Å; V228-M231 HydrophobicContact CB-CE 4.37Å; V228-M231 HydrophobicContact CG2-CE 3.87Å; V228-M231 PolarHBondContact O-N 3.17Å; M231-T235 WeakPolarHBondContact O-CB 3.37Å; M231-T235 PolarHBondContact O-N 2.89Å; M231-T235 PolarHBondContact O-OG1 3.3Å |
| 232 | L | 95.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.3 | -53 | 178 | 178.4 | 69.4 | 0 | 0 | 0 | 111 | L60 F63 V164 V228 I229 D230 T235 L246 | L60-L232 HydrophobicContact CD1-CD1 3.94Å; L60-L232 HydrophobicContact CD2-CD1 3.86Å; L60-L232 HydrophobicContact CG-CD1 3.64Å; F63-L232 HydrophobicContact CB-CD2 4.44Å; F63-L232 HydrophobicContact CD1-CD2 4.27Å; V164-L232 HydrophobicContact CB-CB 4.33Å; V164-L232 HydrophobicContact CB-CD1 3.82Å; V164-L232 HydrophobicContact CG1-CB 4.01Å; V164-L232 HydrophobicContact CG1-CD1 4.44Å; V164-L232 HydrophobicContact CG2-CD1 4.25Å; V228-L232 PolarHBondContact O-N 3.04Å; I229-L232 PolarHBondContact O-N 2.94Å; D230-L232 VanDerWaalsContact C-N 3.3Å; D230-L232 PolarHBondContact O-N 3.33Å; L232-T235 WeakPolarHBondContact O-CB 3.12Å; L232-T235 PolarHBondContact O-N 2.91Å; L232-L246 HydrophobicContact CD2-CD2 3.37Å |
| 233 | F | 95.3 | Very high | 93 | Very high | 12 Ų | 12 | 43.8 Ų | 43.8 | 5% | 0.053 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -70.7 | -35.1 | -177.3 | -71.8 | -74 | 0 | 0 | 0 | 112.9 | I229 D230 T235 I236 L246 H270 L271 | I229-F233 HydrophobicContact CG2-CD2 4.12Å; I229-F233 HydrophobicContact CG2-CE2 4.07Å; I229-F233 VanDerWaalsContact O-CD2 3.25Å; I229-F233 WeakPolarHBondContact O-CD2 3.25Å; I229-F233 PolarHBondContact O-N 2.88Å; D230-F233 PolarHBondContact O-N 2.83Å; F233-T235 PolarHBondContact O-N 3.17Å; F233-I236 HydrophobicContact CB-CD1 4.4Å; F233-I236 HydrophobicContact CD1-CD1 3.55Å; F233-I236 HydrophobicContact CE1-CD1 4.33Å; F233-I236 HydrophobicContact CG-CD1 4.39Å; F233-I236 WeakPolarHBondContact O-CB 3.44Å; F233-I236 PolarHBondContact O-N 3Å; F233-L246 HydrophobicContact CZ-CD1 4.21Å; F233-L246 HydrophobicContact CZ-CD2 4.38Å; F233-H270 HydrophobicContact CB-CB 3.98Å; F233-H270 WeakPolarHBondContact CB-ND1 3.34Å; F233-H270 HydrophobicContact CD1-CB 3.44Å; F233-H270 VanDerWaalsContact CD1-CB 3.44Å; F233-H270 HydrophobicContact CD2-CB 3.44Å; F233-H270 VanDerWaalsContact CD2-CB 3.44Å; F233-H270 AromaticContact CD2-CD2 3.38Å; F233-H270 WeakPolarHBondContact CD2-CD2 3.36Å; F233-H270 AromaticContact CD2-CG 3.45Å; F233-H270 VanDerWaalsContact CD2-CG 3.45Å; F233-H270 HydrophobicContact CE1-CB 3.63Å; F233-H270 HydrophobicContact CE2-CB 3.65Å; F233-H270 HydrophobicContact CG-CB 3.34Å; F233-H270 AromaticContact CG-CD2 3.82Å; F233-H270 AromaticContact CG-CG 3.44Å; F233-H270 VanDerWaalsContact CG-CG 3.44Å; F233-H270 AromaticContact CG-ND1 3.87Å; F233-H270 HydrophobicContact CZ-CB 3.73Å; F233-L271 HydrophobicContact CE1-CD2 4.19Å; F233-L271 HydrophobicContact CZ-CD2 4.11Å; F233-L271 HydrophobicContact CZ-CG 4.41Å |
| 234 | N | 94.6 | Very high | 93.8 | Very high | 104 Ų | 104 | 43.9 Ų | 43.9 | 56% | 0.556 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -67.2 | -20.3 | 173.9 | -71 | -26 | 0 | 0 | 0 | 113 | D230 P237 | D230-N234 WeakPolarHBondContact O-CB 3.4Å; D230-N234 PolarHBondContact O-N 3.45Å; D230-N234 PolarHBondContact O-ND2 2.9Å; D230-N234 VanDerWaalsContact O-ND2 3.14Å; N234-P237 WeakPolarHBondContact O-CD 3.37Å |
| 235 | T | 95.4 | Very high | 94.6 | Very high | 5 Ų | 5 | 43.7 Ų | 43.7 | 3% | 0.031 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -76.1 | -24.1 | 175 | -67.3 | 0 | 0 | 0 | 0 | 112.6 | L60 L162 V164 Q182 M231 L232 F233 L238 F239 | L60-T235 HydrophobicContact CD1-CG2 3.84Å; L60-T235 HydrophobicContact CD2-CG2 4.39Å; L162-T235 HydrophobicContact CD2-CG2 3.51Å; V164-T235 HydrophobicContact CG2-CG2 4.44Å; Q182-T235 VanDerWaalsContact NE2-CG2 3.28Å; Q182-T235 PolarHBondContact NE2-OG1 2.94Å; M231-T235 WeakPolarHBondContact O-CB 3.37Å; M231-T235 PolarHBondContact O-N 2.89Å; M231-T235 PolarHBondContact O-OG1 3.3Å; L232-T235 WeakPolarHBondContact O-CB 3.12Å; L232-T235 PolarHBondContact O-N 2.91Å; F233-T235 PolarHBondContact O-N 3.17Å; T235-L238 PolarHBondContact O-N 3.11Å; T235-L238 VanDerWaalsContact O-N 3.14Å; T235-F239 HydrophobicContact CG2-CB 3.83Å; T235-F239 WeakPolarHBondContact O-CB 3.3Å; T235-F239 PolarHBondContact O-N 3.39Å |
| 236 | I | 95.8 | Very high | 95.1 | Very high | 31 Ų | 31 | 43.2 Ų | 43.2 | 16% | 0.159 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -56 | -48.7 | -175.3 | -64.7 | 167.4 | 0 | 0 | 0 | 112.8 | L60 F233 L238 R240 P241 I244 | L60-I236 HydrophobicContact CD2-CG1 3.57Å; F233-I236 HydrophobicContact CB-CD1 4.4Å; F233-I236 HydrophobicContact CD1-CD1 3.55Å; F233-I236 HydrophobicContact CE1-CD1 4.33Å; F233-I236 HydrophobicContact CG-CD1 4.39Å; F233-I236 WeakPolarHBondContact O-CB 3.44Å; F233-I236 PolarHBondContact O-N 3Å; I236-L238 VanDerWaalsContact C-N 3.28Å; I236-L238 PolarHBondContact O-N 3.16Å; I236-R240 WeakPolarHBondContact O-CA 3.49Å; I236-R240 PolarHBondContact O-N 2.77Å; I236-P241 HydrophobicContact CG2-CG 4.29Å; I236-P241 WeakPolarHBondContact O-CD 3.21Å; I236-I244 HydrophobicContact CD1-CD1 3.58Å; I236-I244 HydrophobicContact CD1-CG1 4.47Å; I236-I244 HydrophobicContact CG1-CD1 4Å; I236-I244 HydrophobicContact CG2-CD1 4.42Å |
| 237 | P | 93.9 | Very high | 95.5 | Very high | 89 Ų | 89 | 41.6 Ų | 41.6 | 58% | 0.578 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -64.5 | -31.2 | -179.9 | -22 | 35 | 0 | 0 | 0 | 113.8 | N234 R240 | N234-P237 WeakPolarHBondContact O-CD 3.37Å; P237-R240 VanDerWaalsContact O-CG 3.3Å; P237-R240 WeakPolarHBondContact O-CG 3.36Å; P237-R240 PolarHBondContact O-NE 2.78Å |
| 238 | L | 94.1 | Very high | 95.7 | Very high | 146 Ų | 146 | 35.8 Ų | 35.8 | 76% | 0.764 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -79.7 | -50.3 | -178.1 | -62.6 | 174.8 | 0 | 0 | 0 | 111.5 | T235 I236 | T235-L238 PolarHBondContact O-N 3.11Å; T235-L238 VanDerWaalsContact O-N 3.14Å; I236-L238 VanDerWaalsContact C-N 3.28Å; I236-L238 PolarHBondContact O-N 3.16Å |
| 239 | F | 96.7 | Very high | 95.8 | Very high | 23 Ų | 23 | 35.6 Ų | 35.6 | 10% | 0.101 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -77.4 | -31.4 | -176.7 | -175.5 | -114.6 | 0 | 0 | 0 | 112.6 | K58 L60 K160 L162 T235 P241 | K58-F239 HydrophobicContact CB-CE1 3.99Å; K58-F239 HydrophobicContact CB-CZ 4.12Å; L60-F239 HydrophobicContact CB-CD1 4.04Å; L60-F239 HydrophobicContact CB-CE1 4.2Å; L60-F239 HydrophobicContact CD1-CD1 4.47Å; K160-F239 HydrophobicContact CD-CE2 3.82Å; K160-F239 HydrophobicContact CD-CZ 4.31Å; K160-F239 HydrophobicContact CG-CE2 4.05Å; K160-F239 HydrophobicContact CG-CZ 4.13Å; L162-F239 HydrophobicContact CB-CD1 4.38Å; L162-F239 HydrophobicContact CB-CD2 4.16Å; L162-F239 HydrophobicContact CB-CE1 3.97Å; L162-F239 HydrophobicContact CB-CE2 3.72Å; L162-F239 HydrophobicContact CB-CG 4.47Å; L162-F239 HydrophobicContact CB-CZ 3.62Å; L162-F239 HydrophobicContact CD2-CB 4.05Å; L162-F239 HydrophobicContact CD2-CD1 4.24Å; L162-F239 HydrophobicContact CD2-CD2 3.55Å; L162-F239 HydrophobicContact CD2-CE2 3.99Å; L162-F239 HydrophobicContact CD2-CG 3.69Å; L162-F239 HydrophobicContact CG-CE2 4.5Å; T235-F239 HydrophobicContact CG2-CB 3.83Å; T235-F239 WeakPolarHBondContact O-CB 3.3Å; T235-F239 PolarHBondContact O-N 3.39Å; F239-P241 HydrophobicContact CD1-CB 3.85Å; F239-P241 HydrophobicContact CD1-CG 4.26Å; F239-P241 HydrophobicContact CE1-CB 4.1Å |
| 240 | R | 96.8 | Very high | 95.7 | Very high | 192 Ų | 192 | 35.9 Ų | 35.9 | 73% | 0.725 | 18% | 0.179 | S | C | * | . | trans | 51.9 | 63.1 | -176.3 | -57.2 | -179.1 | -177.2 | 141 | -1.6 | 111.7 | I236 P237 | I236-R240 WeakPolarHBondContact O-CA 3.49Å; I236-R240 PolarHBondContact O-N 2.77Å; P237-R240 VanDerWaalsContact O-CG 3.3Å; P237-R240 WeakPolarHBondContact O-CG 3.36Å; P237-R240 PolarHBondContact O-NE 2.78Å | ||
| 241 | P | 97.4 | Very high | 95.6 | Very high | 7 Ų | 7 | 34.1 Ų | 34.1 | 5% | 0.045 | 17% | 0.17 | C | C | . | . | trans | -66.2 | 150 | 178.1 | 27.4 | -32 | 0 | 0 | 0 | 111.9 | K58 L60 I236 F239 L243 I244 T278 | K58-P241 CarbonylContact O-C 3.56Å; K58-P241 WeakPolarHBondContact O-CA 3.33Å; K58-P241 VanDerWaalsContact O-CB 3.27Å; K58-P241 WeakPolarHBondContact O-CB 3.31Å; L60-P241 HydrophobicContact CB-CB 3.79Å; L60-P241 HydrophobicContact CB-CG 3.9Å; L60-P241 HydrophobicContact CD2-CG 4.23Å; I236-P241 HydrophobicContact CG2-CG 4.29Å; I236-P241 WeakPolarHBondContact O-CD 3.21Å; F239-P241 HydrophobicContact CD1-CB 3.85Å; F239-P241 HydrophobicContact CD1-CG 4.26Å; F239-P241 HydrophobicContact CE1-CB 4.1Å; P241-L243 WeakPolarHBondContact CB-O 3.36Å; P241-I244 HydrophobicContact CB-CG1 4.34Å; P241-I244 HydrophobicContact CG-CD1 4.33Å; P241-I244 HydrophobicContact CG-CG1 3.77Å; P241-T278 HydrophobicContact CG-CG2 4.47Å; P241-T278 WeakPolarHBondContact O-CG2 3.32Å; P241-T278 PolarHBondContact O-OG1 2.79Å | ||
| 242 | D | 96.7 | Very high | 95.6 | Very high | 47 Ų | 47 | 32.3 Ų | 32.3 | 25% | 0.251 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -94.6 | -5.9 | 165.5 | 55.7 | 15.6 | 0 | 0 | 0 | 112.6 | S57 K58 P279 | S57-D242 WeakPolarHBondContact CA-OD2 3.03Å; S57-D242 WeakPolarHBondContact CB-OD2 3.46Å; S57-D242 VanDerWaalsContact N-CG 3.32Å; S57-D242 PolarHBondContact N-OD1 2.8Å; S57-D242 VanDerWaalsContact N-OD1 3.12Å; S57-D242 PolarHBondContact N-OD2 2.84Å; S57-D242 PolarHBondContact OG-OD2 3.46Å; K58-D242 VanDerWaalsContact C-OD1 3.29Å; K58-D242 PolarHBondContact N-OD1 3.46Å; K58-D242 PolarHBondContact N-OD2 3.29Å; K58-D242 PolarHBondContact O-N 3.02Å; D242-P279 VanDerWaalsContact O-CD 3.25Å; D242-P279 WeakPolarHBondContact O-CD 3.41Å |
| 243 | L | 98.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 136.6 | 169.4 | 170.9 | 65.6 | 0 | 0 | 0 | 110.3 | F56 K58 I59 L60 P241 V245 P279 H281 L480 | F56-L243 HydrophobicContact CB-CB 4.39Å; F56-L243 HydrophobicContact CB-CD2 4.42Å; F56-L243 HydrophobicContact CD1-CB 3.61Å; F56-L243 HydrophobicContact CD1-CD2 4.31Å; F56-L243 HydrophobicContact CD1-CG 4.48Å; F56-L243 HydrophobicContact CD2-CD2 3.74Å; F56-L243 HydrophobicContact CE1-CB 3.94Å; F56-L243 HydrophobicContact CE1-CD1 4.48Å; F56-L243 HydrophobicContact CE2-CD2 4.01Å; F56-L243 HydrophobicContact CG-CB 3.93Å; F56-L243 HydrophobicContact CG-CD2 3.89Å; F56-L243 HydrophobicContact CZ-CD1 4.38Å; F56-L243 HydrophobicContact CZ-CD2 4.39Å; K58-L243 PolarHBondContact O-N 2.96Å; I59-L243 WeakPolarHBondContact CA-O 3.41Å; I59-L243 HydrophobicContact CD1-CD2 3.97Å; I59-L243 HydrophobicContact CG1-CB 4.28Å; I59-L243 HydrophobicContact CG1-CD2 4.21Å; I59-L243 HydrophobicContact CG2-CB 4.35Å; I59-L243 HydrophobicContact CG2-CD2 3.97Å; I59-L243 HydrophobicContact CG2-CG 4.11Å; L60-L243 PolarHBondContact N-O 3.25Å; P241-L243 WeakPolarHBondContact CB-O 3.36Å; L243-V245 HydrophobicContact CD2-CG2 4.16Å; L243-V245 HydrophobicContact CG-CG2 4.11Å; L243-P279 HydrophobicContact CD1-CB 4.41Å; L243-P279 HydrophobicContact CD1-CG 3.97Å; L243-H281 HydrophobicContact CD1-CB 4.09Å; L243-L480 HydrophobicContact CD1-CD1 4.39Å; L243-L480 HydrophobicContact CD1-CD2 4.42Å; L243-L480 HydrophobicContact CD2-CD1 4.21Å; L243-L480 HydrophobicContact CD2-CD2 3.62Å; L243-L480 HydrophobicContact CD2-CG 3.72Å; L243-L480 HydrophobicContact CG-CD2 4.47Å |
| 244 | I | 98.3 | Very high | 95 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 125.5 | 172.4 | -60.5 | 159.8 | 0 | 0 | 0 | 107.9 | L60 I236 P241 L246 T278 P279 I280 H281 | L60-I244 CarbonylContact O-C 3.54Å; L60-I244 WeakPolarHBondContact O-CA 2.99Å; I236-I244 HydrophobicContact CD1-CD1 3.58Å; I236-I244 HydrophobicContact CD1-CG1 4.47Å; I236-I244 HydrophobicContact CG1-CD1 4Å; I236-I244 HydrophobicContact CG2-CD1 4.42Å; P241-I244 HydrophobicContact CB-CG1 4.34Å; P241-I244 HydrophobicContact CG-CD1 4.33Å; P241-I244 HydrophobicContact CG-CG1 3.77Å; I244-L246 HydrophobicContact CG2-CD2 3.89Å; I244-L246 HydrophobicContact CG2-CG 4.25Å; I244-T278 HydrophobicContact CD1-CG2 3.8Å; I244-T278 HydrophobicContact CG1-CG2 3.91Å; I244-P279 PolarHBondContact N-O 3.33Å; I244-I280 HydrophobicContact CB-CG1 4.37Å; I244-I280 HydrophobicContact CD1-CG1 4.24Å; I244-I280 HydrophobicContact CG2-CG2 4.46Å; I244-I280 CarbonylContact O-C 3.58Å; I244-I280 WeakPolarHBondContact O-CA 3.41Å; I244-H281 PolarHBondContact O-N 3.15Å |
| 245 | V | 98.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 123.5 | 174.4 | -178.3 | 0 | 0 | 0 | 0 | 108.5 | I59 L60 V61 G62 I148 L243 H281 L480 | I59-V245 HydrophobicContact CG2-CG2 3.86Å; L60-V245 PolarHBondContact O-N 3.01Å; V61-V245 WeakPolarHBondContact CA-O 3.42Å; V61-V245 HydrophobicContact CB-CB 4.39Å; V61-V245 HydrophobicContact CG1-CB 4.1Å; V61-V245 HydrophobicContact CG1-CG1 4.2Å; V61-V245 HydrophobicContact CG2-CB 4.16Å; V61-V245 HydrophobicContact CG2-CG2 4.35Å; G62-V245 PolarHBondContact N-O 3.4Å; G62-V245 VanDerWaalsContact O-O 3.12Å; I148-V245 HydrophobicContact CD1-CG1 3.96Å; I148-V245 HydrophobicContact CG2-CG1 4.27Å; L243-V245 HydrophobicContact CD2-CG2 4.16Å; L243-V245 HydrophobicContact CG-CG2 4.11Å; V245-H281 CarbonylContact C-O 3.57Å; V245-H281 WeakPolarHBondContact CA-O 3.49Å; V245-H281 HydrophobicContact CG2-CB 4.4Å; V245-L480 HydrophobicContact CG2-CD2 3.68Å |
| 246 | L | 97.8 | Very high | 94.4 | Very high | 3 Ų | 3 | 33.3 Ų | 33.3 | 2% | 0.016 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 132.3 | 175.8 | -58.6 | -175.5 | 0 | 0 | 0 | 109.1 | G62 L232 F233 I244 L271 I280 H281 L282 E283 | G62-L246 CarbonylContact O-C 3.57Å; G62-L246 WeakPolarHBondContact O-CA 3.29Å; L232-L246 HydrophobicContact CD2-CD2 3.37Å; F233-L246 HydrophobicContact CZ-CD1 4.21Å; F233-L246 HydrophobicContact CZ-CD2 4.38Å; I244-L246 HydrophobicContact CG2-CD2 3.89Å; I244-L246 HydrophobicContact CG2-CG 4.25Å; L246-L271 HydrophobicContact CD1-CD2 3.69Å; L246-I280 HydrophobicContact CD1-CG2 3.61Å; L246-I280 HydrophobicContact CG-CG2 3.91Å; L246-H281 PolarHBondContact N-O 3.34Å; L246-L282 HydrophobicContact CB-CD1 3.83Å; L246-L282 CarbonylContact O-C 3.34Å; L246-L282 WeakPolarHBondContact O-CA 3.18Å; L246-L282 WeakPolarHBondContact O-CD1 3.29Å; L246-E283 PolarHBondContact O-N 3.09Å |
| 247 | S | 96.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 162.9 | 171.2 | -157.2 | 0 | 0 | 0 | 0 | 108.8 | G62 F63 N64 N144 E283 | G62-S247 CarbonylContact C-O 3.45Å; G62-S247 PolarHBondContact O-N 3.29Å; F63-S247 PolarHBondContact N-O 3.44Å; N64-S247 PolarHBondContact OD1-O 2.89Å; N144-S247 WeakPolarHBondContact CB-OG 3.27Å; S247-E283 WeakPolarHBondContact CB-OE2 3.21Å; S247-E283 PolarHBondContact OG-O 3.29Å; S247-E283 PolarHBondContact OG-OE2 3.3Å |
| 248 | G | 94 | Very high | 94 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | trans | 90 | 0.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | N64 H250 L251 | N64-G248 VanDerWaalsContact CG-CA 3.4Å; N64-G248 WeakPolarHBondContact OD1-CA 3.45Å; N64-G248 PolarHBondContact OD1-N 2.89Å; N64-G248 VanDerWaalsContact OD1-N 3.14Å; G248-H250 PolarHBondContact O-N 3.43Å; G248-L251 WeakPolarHBondContact O-CB 3.35Å; G248-L251 PolarHBondContact O-N 3Å | ||
| 249 | V | 95.2 | Very high | 93.9 | Very high | 3 Ų | 3 | 34.4 Ų | 34.4 | 2% | 0.018 | 17% | 0.168 | C | C | . | . | G | 310 helix | trans | -60.6 | -31.7 | 176.2 | 179.4 | 0 | 0 | 0 | 0 | 111.6 | F63 L251 L252 L264 I267 L282 F292 F296 | F63-V249 HydrophobicContact CE1-CG2 4.21Å; F63-V249 HydrophobicContact CZ-CG2 4.19Å; V249-L251 VanDerWaalsContact C-N 3.3Å; V249-L251 PolarHBondContact O-N 2.9Å; V249-L252 HydrophobicContact CG1-CD1 4.32Å; V249-L252 VanDerWaalsContact O-CB 3.31Å; V249-L252 WeakPolarHBondContact O-CB 3.32Å; V249-L252 VanDerWaalsContact O-CG 3.3Å; V249-L252 WeakPolarHBondContact O-CG 3.41Å; V249-L252 PolarHBondContact O-N 3.48Å; V249-L264 HydrophobicContact CG1-CD2 3.9Å; V249-I267 HydrophobicContact CG2-CD1 4.3Å; V249-L282 HydrophobicContact CG2-CD1 4.09Å; V249-F292 HydrophobicContact CG1-CZ 4.34Å; V249-F292 VanDerWaalsContact O-CZ 3.26Å; V249-F292 WeakPolarHBondContact O-CZ 3.31Å; V249-F296 HydrophobicContact CG1-CD2 3.83Å; V249-F296 HydrophobicContact CG1-CE2 4.08Å |
| 250 | H | 92.1 | Very high | 93.7 | Very high | 5 Ų | 5 | 33.4 Ų | 33.4 | 2% | 0.023 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -61.7 | -34.5 | 178.8 | 57.7 | -79.9 | 0 | 0 | 0 | 113 | G248 L252 E253 G285 H286 M287 | G248-H250 PolarHBondContact O-N 3.43Å; H250-L252 PolarHBondContact O-N 3.27Å; H250-E253 WeakPolarHBondContact O-CB 3.38Å; H250-E253 WeakPolarHBondContact O-CG 3.32Å; H250-E253 PolarHBondContact O-N 3.04Å; H250-G285 PolarHBondContact ND1-N 3.46Å; H250-H286 WeakPolarHBondContact CB-O 3.35Å; H250-M287 HydrophobicContact CB-CG 3.56Å; H250-M287 HydrophobicContact CB-SD 4.35Å |
| 251 | L | 91.7 | Very high | 93.7 | Very high | 11 Ų | 11 | 26.9 Ų | 26.9 | 6% | 0.058 | 14% | 0.143 | C | C | . | . | G | 310 helix | trans | -61.9 | -18.7 | 178.3 | -58.5 | 177.7 | 0 | 0 | 0 | 113.4 | N64 E114 G248 V249 E253 F254 | N64-L251 HydrophobicContact CB-CD1 3.66Å; E114-L251 WeakPolarHBondContact OE1-CD2 3.27Å; G248-L251 WeakPolarHBondContact O-CB 3.35Å; G248-L251 PolarHBondContact O-N 3Å; V249-L251 VanDerWaalsContact C-N 3.3Å; V249-L251 PolarHBondContact O-N 2.9Å; L251-E253 PolarHBondContact O-N 3.08Å; L251-F254 HydrophobicContact CD2-CE2 4.21Å; L251-F254 WeakPolarHBondContact O-CD2 3.47Å |
| 252 | L | 92.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | G | 310 helix | trans | -66.4 | -21.9 | 176.3 | -58.5 | -178.3 | 0 | 0 | 0 | 112.5 | G224 V249 H250 F254 Q255 W260 K263 L264 I267 F292 | G224-L252 WeakPolarHBondContact O-CD2 3.44Å; V249-L252 HydrophobicContact CG1-CD1 4.32Å; V249-L252 VanDerWaalsContact O-CB 3.31Å; V249-L252 WeakPolarHBondContact O-CB 3.32Å; V249-L252 VanDerWaalsContact O-CG 3.3Å; V249-L252 WeakPolarHBondContact O-CG 3.41Å; V249-L252 PolarHBondContact O-N 3.48Å; H250-L252 PolarHBondContact O-N 3.27Å; L252-F254 PolarHBondContact O-N 3.34Å; L252-Q255 WeakPolarHBondContact O-CB 3.21Å; L252-Q255 PolarHBondContact O-N 2.85Å; L252-Q255 VanDerWaalsContact O-N 3.15Å; L252-W260 HydrophobicContact CB-CB 4.02Å; L252-W260 WeakPolarHBondContact O-CB 3.43Å; L252-K263 HydrophobicContact CD1-CB 3.97Å; L252-K263 HydrophobicContact CD2-CD 3.73Å; L252-L264 HydrophobicContact CD1-CD2 4.31Å; L252-I267 HydrophobicContact CD1-CD1 4.01Å; L252-F292 HydrophobicContact CB-CE2 3.7Å; L252-F292 HydrophobicContact CB-CZ 3.91Å |
| 253 | E | 90.7 | Very high | 93.5 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | -63.3 | -23.3 | -176.7 | 81.7 | 175.7 | 149.3 | 0 | 0 | 113.6 | H250 L251 Q255 M287 S288 N289 F292 | H250-E253 WeakPolarHBondContact O-CB 3.38Å; H250-E253 WeakPolarHBondContact O-CG 3.32Å; H250-E253 PolarHBondContact O-N 3.04Å; L251-E253 PolarHBondContact O-N 3.08Å; E253-Q255 VanDerWaalsContact C-N 3.25Å; E253-Q255 PolarHBondContact O-N 2.83Å; E253-M287 WeakPolarHBondContact OE1-CA 3.21Å; E253-S288 PolarHBondContact OE1-N 3.21Å; E253-S288 PolarHBondContact OE2-N 3.03Å; E253-N289 HydrophobicContact CB-CB 4.26Å; E253-N289 VanDerWaalsContact OE2-CB 3.22Å; E253-N289 WeakPolarHBondContact OE2-CB 3.31Å; E253-N289 PolarHBondContact OE2-N 2.47Å; E253-F292 HydrophobicContact CB-CB 4.03Å; E253-F292 HydrophobicContact CB-CD1 3.71Å; E253-F292 HydrophobicContact CB-CD2 3.95Å; E253-F292 HydrophobicContact CB-CE1 4.17Å; E253-F292 HydrophobicContact CB-CE2 4.4Å; E253-F292 HydrophobicContact CB-CG 3.6Å |
| 254 | F | 87.9 | Confident | 93.4 | Very high | 26 Ų | 26 | 30.9 Ų | 30.9 | 11% | 0.114 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | -79.5 | -6.7 | -179.7 | -55.1 | -51.3 | 0 | 0 | 0 | 113.7 | E114 Y116 L251 L252 | E114-F254 HydrophobicContact CG-CZ 4.35Å; Y116-F254 HydrophobicContact CD1-CB 4.41Å; Y116-F254 HydrophobicContact CD2-CB 4.07Å; Y116-F254 HydrophobicContact CD2-CG 4.47Å; Y116-F254 HydrophobicContact CG-CB 3.83Å; Y116-F254 HydrophobicContact CG-CG 4.2Å; L251-F254 HydrophobicContact CD2-CE2 4.21Å; L251-F254 WeakPolarHBondContact O-CD2 3.47Å; L252-F254 PolarHBondContact O-N 3.34Å |
| 255 | Q | 88.2 | Confident | 93.3 | Very high | 38 Ų | 38 | 33.8 Ų | 33.8 | 18% | 0.178 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -88.1 | 162.4 | 179.1 | -58.4 | -164.4 | -20 | 0 | 0 | 111.9 | L252 E253 L259 W260 K263 | L252-Q255 WeakPolarHBondContact O-CB 3.21Å; L252-Q255 PolarHBondContact O-N 2.85Å; L252-Q255 VanDerWaalsContact O-N 3.15Å; E253-Q255 VanDerWaalsContact C-N 3.25Å; E253-Q255 PolarHBondContact O-N 2.83Å; Q255-L259 HydrophobicContact CB-CB 4.44Å; Q255-W260 VanDerWaalsContact O-CD1 3.24Å; Q255-K263 VanDerWaalsContact CD-NZ 3.34Å |
| 256 | P | 88.6 | Confident | 93.2 | Very high | 77 Ų | 77 | 34.7 Ų | 34.7 | 50% | 0.5 | 18% | 0.182 | S | C | . | . | trans | -50 | 145.5 | 167.5 | -28.6 | 34.1 | 0 | 0 | 0 | 112.6 | E258 L259 W260 | P256-E258 PolarHBondContact O-N 2.92Å; P256-E258 VanDerWaalsContact O-N 3.16Å; P256-L259 HydrophobicContact CB-CD1 4.41Å; P256-L259 HydrophobicContact CB-CG 4.37Å; P256-L259 HydrophobicContact CG-CD1 4.16Å; P256-L259 PolarHBondContact O-N 3.49Å; P256-W260 PolarHBondContact O-N 3.47Å | ||
| 257 | T | 91 | Very high | 93.1 | Very high | 71 Ų | 71 | 34.6 Ų | 34.6 | 44% | 0.436 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -57.3 | -37.5 | -170.7 | -68.2 | 0 | 0 | 0 | 0 | 113.3 | W260 L261 | T257-W260 HydrophobicContact CG2-CH2 4.49Å; T257-W260 HydrophobicContact CG2-CZ2 3.76Å; T257-L261 WeakPolarHBondContact O-CB 3.33Å; T257-L261 PolarHBondContact O-N 3.23Å |
| 258 | E | 91.9 | Very high | 93.1 | Very high | 137 Ų | 137 | 38 Ų | 38 | 64% | 0.64 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -64.9 | -43.2 | 179.3 | -61.9 | 68.7 | -148.4 | 0 | 0 | 111 | P256 L261 E262 | P256-E258 PolarHBondContact O-N 2.92Å; P256-E258 VanDerWaalsContact O-N 3.16Å; E258-L261 PolarHBondContact O-N 2.92Å; E258-E262 PolarHBondContact O-N 2.93Å; E258-E262 VanDerWaalsContact O-N 3.08Å |
| 259 | L | 91.8 | Very high | 93.2 | Very high | 80 Ų | 80 | 44.5 Ų | 44.5 | 42% | 0.419 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -71.7 | -47.4 | -174.9 | -66 | -176.1 | 0 | 0 | 0 | 112.1 | Q255 P256 L261 E262 K263 | Q255-L259 HydrophobicContact CB-CB 4.44Å; P256-L259 HydrophobicContact CB-CD1 4.41Å; P256-L259 HydrophobicContact CB-CG 4.37Å; P256-L259 HydrophobicContact CG-CD1 4.16Å; P256-L259 PolarHBondContact O-N 3.49Å; L259-L261 VanDerWaalsContact C-N 3.26Å; L259-L261 PolarHBondContact O-N 3.34Å; L259-E262 PolarHBondContact O-N 2.93Å; L259-K263 WeakPolarHBondContact O-CG 3.4Å; L259-K263 PolarHBondContact O-N 2.98Å |
| 260 | W | 92.6 | Very high | 93.2 | Very high | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.008 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -68.2 | -30.6 | 178.4 | 68 | -119.1 | 0 | 0 | 0 | 111.5 | L252 Q255 P256 T257 K263 L264 T291 F292 K295 | L252-W260 HydrophobicContact CB-CB 4.02Å; L252-W260 WeakPolarHBondContact O-CB 3.43Å; Q255-W260 VanDerWaalsContact O-CD1 3.24Å; P256-W260 PolarHBondContact O-N 3.47Å; T257-W260 HydrophobicContact CG2-CH2 4.49Å; T257-W260 HydrophobicContact CG2-CZ2 3.76Å; W260-K263 PolarHBondContact O-N 3.24Å; W260-L264 HydrophobicContact CE3-CD1 3.58Å; W260-L264 HydrophobicContact CE3-CG 4.21Å; W260-L264 HydrophobicContact CZ3-CD1 3.7Å; W260-L264 WeakPolarHBondContact O-CG 3.16Å; W260-L264 PolarHBondContact O-N 3.05Å; W260-T291 HydrophobicContact CH2-CG2 4.25Å; W260-T291 HydrophobicContact CZ2-CG2 4.21Å; W260-F292 HydrophobicContact CB-CD2 4.31Å; W260-F292 HydrophobicContact CB-CE2 4.13Å; W260-F292 AromaticContact CD2-CD2 3.57Å; W260-F292 HydrophobicContact CD2-CD2 3.57Å; W260-F292 HydrophobicContact CD2-CE2 4.14Å; W260-F292 AromaticContact CE3-CD2 3.64Å; W260-F292 HydrophobicContact CE3-CD2 3.64Å; W260-F292 HydrophobicContact CE3-CE2 4.05Å; W260-F292 AromaticContact CG-CD2 3.87Å; W260-F292 HydrophobicContact CG-CD2 3.87Å; W260-F292 HydrophobicContact CG-CE2 4.19Å; W260-F292 HydrophobicContact CZ2-CB 4.43Å; W260-F292 HydrophobicContact CZ3-CD2 4.22Å; W260-K295 HydrophobicContact CH2-CB 3.97Å; W260-K295 HydrophobicContact CH2-CG 3.6Å; W260-K295 HydrophobicContact CZ3-CB 3.54Å; W260-K295 HydrophobicContact CZ3-CG 3.62Å |
| 261 | L | 95.4 | Very high | 93.4 | Very high | 56 Ų | 56 | 44.9 Ų | 44.9 | 29% | 0.293 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -67.8 | -39.7 | 177.2 | -176 | 65.8 | 0 | 0 | 0 | 111.9 | T257 E258 L259 T265 K295 K299 | T257-L261 WeakPolarHBondContact O-CB 3.33Å; T257-L261 PolarHBondContact O-N 3.23Å; E258-L261 PolarHBondContact O-N 2.92Å; L259-L261 VanDerWaalsContact C-N 3.26Å; L259-L261 PolarHBondContact O-N 3.34Å; L261-T265 WeakPolarHBondContact O-CB 3.2Å; L261-T265 PolarHBondContact O-N 3.41Å; L261-T265 VanDerWaalsContact O-N 3.1Å; L261-T265 PolarHBondContact O-OG1 2.94Å; L261-K295 HydrophobicContact CD1-CD 4.14Å; L261-K295 HydrophobicContact CD1-CG 4.13Å; L261-K299 HydrophobicContact CD1-CD 4.3Å |
| 262 | E | 95.4 | Very high | 93.5 | Very high | 122 Ų | 122 | 47.7 Ų | 47.7 | 57% | 0.57 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -58.7 | -49.5 | 171.2 | -173.8 | -175.8 | 162 | 0 | 0 | 110.2 | E258 L259 L264 T265 L266 | E258-E262 PolarHBondContact O-N 2.93Å; E258-E262 VanDerWaalsContact O-N 3.08Å; L259-E262 PolarHBondContact O-N 2.93Å; E262-L264 PolarHBondContact O-N 3.39Å; E262-T265 CarbonylContact O-C 3.59Å; E262-T265 WeakPolarHBondContact O-CA 3.3Å; E262-T265 VanDerWaalsContact O-CB 3.31Å; E262-T265 WeakPolarHBondContact O-CB 3.34Å; E262-T265 PolarHBondContact O-N 3.35Å; E262-L266 PolarHBondContact O-N 3.35Å |
| 263 | K | 95.3 | Very high | 93.5 | Very high | 15 Ų | 15 | 54.2 Ų | 54.2 | 7% | 0.065 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64 | -42.4 | -179.6 | -70 | 173.6 | -179.8 | -175.4 | 0 | 113.5 | G224 S226 I229 L252 Q255 L259 W260 T265 L266 I267 | G224-K263 VanDerWaalsContact O-CD 3.3Å; G224-K263 WeakPolarHBondContact O-CD 3.1Å; G224-K263 VanDerWaalsContact O-CE 3.31Å; G224-K263 WeakPolarHBondContact O-CE 3.47Å; G224-K263 PolarHBondContact O-NZ 3.44Å; S226-K263 VanDerWaalsContact OG-CE 3.31Å; S226-K263 WeakPolarHBondContact OG-CE 3.27Å; I229-K263 HydrophobicContact CD1-CB 4.21Å; I229-K263 HydrophobicContact CD1-CD 4.41Å; I229-K263 HydrophobicContact CD1-CG 4.3Å; L252-K263 HydrophobicContact CD1-CB 3.97Å; L252-K263 HydrophobicContact CD2-CD 3.73Å; Q255-K263 VanDerWaalsContact CD-NZ 3.34Å; L259-K263 WeakPolarHBondContact O-CG 3.4Å; L259-K263 PolarHBondContact O-N 2.98Å; W260-K263 PolarHBondContact O-N 3.24Å; K263-T265 PolarHBondContact O-N 2.86Å; K263-L266 WeakPolarHBondContact O-CB 3.46Å; K263-L266 PolarHBondContact O-N 3.11Å; K263-I267 VanDerWaalsContact O-CG1 3.3Å; K263-I267 WeakPolarHBondContact O-CG1 3.42Å; K263-I267 PolarHBondContact O-N 3.39Å |
| 264 | L | 96.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.6 | -32.8 | 172.5 | -69.9 | -176.7 | 0 | 0 | 0 | 111.8 | V249 L252 W260 E262 K268 F292 K295 K299 V300 | V249-L264 HydrophobicContact CG1-CD2 3.9Å; L252-L264 HydrophobicContact CD1-CD2 4.31Å; W260-L264 HydrophobicContact CE3-CD1 3.58Å; W260-L264 HydrophobicContact CE3-CG 4.21Å; W260-L264 HydrophobicContact CZ3-CD1 3.7Å; W260-L264 WeakPolarHBondContact O-CG 3.16Å; W260-L264 PolarHBondContact O-N 3.05Å; E262-L264 PolarHBondContact O-N 3.39Å; L264-K268 WeakPolarHBondContact O-CB 3.24Å; L264-K268 PolarHBondContact O-N 3.38Å; L264-F292 HydrophobicContact CD1-CD2 4.36Å; L264-F292 HydrophobicContact CD1-CE2 3.99Å; L264-F292 HydrophobicContact CD1-CZ 4.5Å; L264-F292 HydrophobicContact CD2-CE2 4.22Å; L264-F292 HydrophobicContact CD2-CZ 4.16Å; L264-F292 HydrophobicContact CG-CE2 4.22Å; L264-K295 HydrophobicContact CD1-CB 3.78Å; L264-K299 HydrophobicContact CB-CB 4.25Å; L264-K299 HydrophobicContact CB-CD 3.79Å; L264-V300 HydrophobicContact CD2-CG2 3.72Å |
| 265 | T | 96.1 | Very high | 93.7 | Very high | 63 Ų | 63 | 61.3 Ų | 61.3 | 39% | 0.387 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -72.9 | -38.9 | 176 | -55.4 | 0 | 0 | 0 | 0 | 111.5 | L261 E262 K263 K268 R269 K299 | L261-T265 WeakPolarHBondContact O-CB 3.2Å; L261-T265 PolarHBondContact O-N 3.41Å; L261-T265 VanDerWaalsContact O-N 3.1Å; L261-T265 PolarHBondContact O-OG1 2.94Å; E262-T265 CarbonylContact O-C 3.59Å; E262-T265 WeakPolarHBondContact O-CA 3.3Å; E262-T265 VanDerWaalsContact O-CB 3.31Å; E262-T265 WeakPolarHBondContact O-CB 3.34Å; E262-T265 PolarHBondContact O-N 3.35Å; K263-T265 PolarHBondContact O-N 2.86Å; T265-K268 WeakPolarHBondContact O-CB 3.29Å; T265-K268 PolarHBondContact O-N 3.23Å; T265-R269 PolarHBondContact O-N 3.37Å; T265-K299 PolarHBondContact OG1-NZ 3.14Å |
| 266 | L | 95.6 | Very high | 93.9 | Very high | 19 Ų | 19 | 63.7 Ų | 63.7 | 10% | 0.099 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.9 | -51.3 | 172.8 | 178.6 | 60.6 | 0 | 0 | 0 | 111.4 | I229 D230 E262 K263 K268 R269 H270 | I229-L266 HydrophobicContact CB-CD2 4.47Å; I229-L266 HydrophobicContact CG2-CD2 4.04Å; I229-L266 HydrophobicContact CG2-CG 4.23Å; D230-L266 WeakPolarHBondContact OD1-CD1 3.1Å; E262-L266 PolarHBondContact O-N 3.35Å; K263-L266 WeakPolarHBondContact O-CB 3.46Å; K263-L266 PolarHBondContact O-N 3.11Å; L266-K268 VanDerWaalsContact C-N 3.33Å; L266-K268 PolarHBondContact O-N 2.8Å; L266-R269 WeakPolarHBondContact O-CB 3.13Å; L266-R269 PolarHBondContact O-N 2.97Å; L266-R269 VanDerWaalsContact O-N 3.13Å; L266-H270 PolarHBondContact O-CD2 3.33Å; L266-H270 PolarHBondContact O-N 3.31Å; L266-H270 VanDerWaalsContact O-N 3.09Å |
| 267 | I | 96.8 | Very high | 94.1 | Very high | 1 Ų | 1 | 66.4 Ų | 66.4 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -56.1 | -49.2 | 175.6 | -68.1 | 166 | 0 | 0 | 0 | 109.7 | F63 I229 V249 L252 K263 R269 H270 L271 V300 | F63-I267 HydrophobicContact CE1-CD1 4.26Å; F63-I267 HydrophobicContact CZ-CD1 4.45Å; I229-I267 HydrophobicContact CD1-CD1 4.13Å; I229-I267 HydrophobicContact CD1-CG1 4.27Å; I229-I267 HydrophobicContact CG2-CG1 3.82Å; V249-I267 HydrophobicContact CG2-CD1 4.3Å; L252-I267 HydrophobicContact CD1-CD1 4.01Å; K263-I267 VanDerWaalsContact O-CG1 3.3Å; K263-I267 WeakPolarHBondContact O-CG1 3.42Å; K263-I267 PolarHBondContact O-N 3.39Å; I267-R269 VanDerWaalsContact C-N 3.29Å; I267-R269 PolarHBondContact O-N 2.91Å; I267-H270 PolarHBondContact O-N 2.88Å; I267-H270 VanDerWaalsContact O-N 3.15Å; I267-L271 HydrophobicContact CG2-CD1 3.71Å; I267-L271 HydrophobicContact CG2-CG 4Å; I267-L271 VanDerWaalsContact O-CG 3.28Å; I267-L271 WeakPolarHBondContact O-CG 3.47Å; I267-L271 PolarHBondContact O-N 3.49Å; I267-V300 HydrophobicContact CB-CG2 4.42Å; I267-V300 HydrophobicContact CG2-CG1 4.32Å; I267-V300 HydrophobicContact CG2-CG2 3.89Å |
| 268 | K | 96 | Very high | 94.3 | Very high | 71 Ų | 71 | 64.1 Ų | 64.1 | 31% | 0.309 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -53.6 | -45.6 | 176.9 | -178.7 | 177.8 | 177.5 | 170.1 | 0 | 112.4 | L264 T265 L266 H270 L271 N272 K299 F303 | L264-K268 WeakPolarHBondContact O-CB 3.24Å; L264-K268 PolarHBondContact O-N 3.38Å; T265-K268 WeakPolarHBondContact O-CB 3.29Å; T265-K268 PolarHBondContact O-N 3.23Å; L266-K268 VanDerWaalsContact C-N 3.33Å; L266-K268 PolarHBondContact O-N 2.8Å; K268-H270 VanDerWaalsContact C-N 3.34Å; K268-L271 PolarHBondContact O-N 3.09Å; K268-N272 PolarHBondContact O-N 3.49Å; K268-N272 VanDerWaalsContact O-N 3.09Å; K268-N272 PolarHBondContact O-ND2 2.9Å; K268-K299 HydrophobicContact CB-CB 4.42Å; K268-K299 WeakPolarHBondContact CB-O 3.19Å; K268-K299 HydrophobicContact CD-CB 4.33Å; K268-K299 HydrophobicContact CD-CG 4.34Å; K268-K299 WeakPolarHBondContact CG-O 3.47Å; K268-F303 HydrophobicContact CD-CE2 4.08Å; K268-F303 HydrophobicContact CD-CZ 4.41Å; K268-F303 VanDerWaalsContact CE-CZ 3.49Å; K268-F303 HydrophobicContact CG-CD2 4.26Å; K268-F303 HydrophobicContact CG-CE2 4.05Å; K268-F303 HydrophobicContact CG-CZ 4.45Å |
| 269 | R | 95.3 | Very high | 94.5 | Very high | 137 Ų | 137 | 57.7 Ų | 57.7 | 52% | 0.517 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -59.3 | -48.6 | 179.7 | 179.1 | 178.8 | 67.7 | 175.9 | 1.8 | 110.4 | T265 L266 I267 N272 Q273 | T265-R269 PolarHBondContact O-N 3.37Å; L266-R269 WeakPolarHBondContact O-CB 3.13Å; L266-R269 PolarHBondContact O-N 2.97Å; L266-R269 VanDerWaalsContact O-N 3.13Å; I267-R269 VanDerWaalsContact C-N 3.29Å; I267-R269 PolarHBondContact O-N 2.91Å; R269-N272 PolarHBondContact O-N 3.05Å; R269-Q273 WeakPolarHBondContact O-CG 3.39Å; R269-Q273 PolarHBondContact O-N 3.1Å |
| 270 | H | 95.7 | Very high | 94.9 | Very high | 15 Ų | 15 | 53.9 Ų | 53.9 | 7% | 0.069 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.5 | -43.3 | 179.1 | -75.1 | -56.2 | 0 | 0 | 0 | 113.1 | D230 F233 L266 I267 K268 N272 Q273 A274 | D230-H270 IonicContact OD1-CD2 3.27Å; D230-H270 IonicContact OD1-CE1 2.73Å; D230-H270 IonicContact OD1-NE2 2.91Å; D230-H270 PolarHBondContact OD1-NE2 3.33Å; F233-H270 HydrophobicContact CB-CB 3.98Å; F233-H270 WeakPolarHBondContact CB-ND1 3.34Å; F233-H270 HydrophobicContact CD1-CB 3.44Å; F233-H270 VanDerWaalsContact CD1-CB 3.44Å; F233-H270 HydrophobicContact CD2-CB 3.44Å; F233-H270 VanDerWaalsContact CD2-CB 3.44Å; F233-H270 AromaticContact CD2-CD2 3.38Å; F233-H270 WeakPolarHBondContact CD2-CD2 3.36Å; F233-H270 AromaticContact CD2-CG 3.45Å; F233-H270 VanDerWaalsContact CD2-CG 3.45Å; F233-H270 HydrophobicContact CE1-CB 3.63Å; F233-H270 HydrophobicContact CE2-CB 3.65Å; F233-H270 HydrophobicContact CG-CB 3.34Å; F233-H270 AromaticContact CG-CD2 3.82Å; F233-H270 AromaticContact CG-CG 3.44Å; F233-H270 VanDerWaalsContact CG-CG 3.44Å; F233-H270 AromaticContact CG-ND1 3.87Å; F233-H270 HydrophobicContact CZ-CB 3.73Å; L266-H270 PolarHBondContact O-CD2 3.33Å; L266-H270 PolarHBondContact O-N 3.31Å; L266-H270 VanDerWaalsContact O-N 3.09Å; I267-H270 PolarHBondContact O-N 2.88Å; I267-H270 VanDerWaalsContact O-N 3.15Å; K268-H270 VanDerWaalsContact C-N 3.34Å; H270-N272 PolarHBondContact O-N 3.24Å; H270-Q273 PolarHBondContact O-N 3.17Å; H270-A274 PolarHBondContact O-N 3.46Å |
| 271 | L | 96 | Very high | 95.1 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.6 | -36.5 | 175.6 | -69.1 | 177.8 | 0 | 0 | 0 | 112.5 | F233 L246 I267 K268 Q273 I280 V300 F303 V304 | F233-L271 HydrophobicContact CE1-CD2 4.19Å; F233-L271 HydrophobicContact CZ-CD2 4.11Å; F233-L271 HydrophobicContact CZ-CG 4.41Å; L246-L271 HydrophobicContact CD1-CD2 3.69Å; I267-L271 HydrophobicContact CG2-CD1 3.71Å; I267-L271 HydrophobicContact CG2-CG 4Å; I267-L271 VanDerWaalsContact O-CG 3.28Å; I267-L271 WeakPolarHBondContact O-CG 3.47Å; I267-L271 PolarHBondContact O-N 3.49Å; K268-L271 PolarHBondContact O-N 3.09Å; L271-Q273 VanDerWaalsContact C-N 3.35Å; L271-I280 HydrophobicContact CD2-CD1 3.58Å; L271-I280 HydrophobicContact CD2-CG2 3.91Å; L271-V300 HydrophobicContact CD1-CG1 4.06Å; L271-F303 HydrophobicContact CB-CB 3.8Å; L271-F303 HydrophobicContact CD1-CB 3.85Å; L271-F303 HydrophobicContact CG-CB 4.45Å; L271-V304 HydrophobicContact CD1-CG1 4.1Å; L271-V304 HydrophobicContact CD2-CG1 4.26Å |
| 272 | N | 93.2 | Very high | 95.3 | Very high | 71 Ų | 71 | 51.1 Ų | 51.1 | 38% | 0.38 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -72.4 | -26.4 | 176.1 | -79.8 | -66.5 | 0 | 0 | 0 | 113.3 | K268 R269 H270 F303 | K268-N272 PolarHBondContact O-N 3.49Å; K268-N272 VanDerWaalsContact O-N 3.09Å; K268-N272 PolarHBondContact O-ND2 2.9Å; R269-N272 PolarHBondContact O-N 3.05Å; H270-N272 PolarHBondContact O-N 3.24Å; N272-F303 VanDerWaalsContact OD1-CD1 3.31Å; N272-F303 WeakPolarHBondContact OD1-CD1 3.12Å; N272-F303 WeakPolarHBondContact OD1-CE1 3.4Å |
| 273 | Q | 92.3 | Very high | 95.4 | Very high | 136 Ų | 136 | 45.4 Ų | 45.4 | 64% | 0.636 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -84.4 | -22.1 | 177.4 | -69.8 | 173 | -13.5 | 0 | 0 | 112.5 | R269 H270 L271 | R269-Q273 WeakPolarHBondContact O-CG 3.39Å; R269-Q273 PolarHBondContact O-N 3.1Å; H270-Q273 PolarHBondContact O-N 3.17Å; L271-Q273 VanDerWaalsContact C-N 3.35Å |
| 274 | A | 92.4 | Very high | 95.4 | Very high | 14 Ų | 14 | 45 Ų | 45 | 12% | 0.116 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -63.5 | 135.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | H270 R276 I280 R366 | H270-A274 PolarHBondContact O-N 3.46Å; A274-R276 PolarHBondContact O-N 2.87Å; A274-I280 HydrophobicContact CB-CD1 3.68Å; A274-R366 PolarHBondContact O-NH1 2.85Å |
| 275 | K | 92.4 | Very high | 95.2 | Very high | 163 Ų | 163 | 45.4 Ų | 45.4 | 71% | 0.709 | 21% | 0.21 | S | C | * | . | trans | -60.6 | 135 | -179.4 | -63.6 | -178.6 | -179.1 | 179.9 | 0 | 110.8 | K277 T278 R366 | K275-K277 PolarHBondContact O-N 2.87Å; K275-T278 PolarHBondContact O-N 3.21Å; K275-T278 VanDerWaalsContact O-N 3.13Å; K275-R366 PolarHBondContact O-NH2 3.31Å | ||
| 276 | R | 90.9 | Very high | 94.8 | Very high | 88 Ų | 88 | 44.9 Ų | 44.9 | 33% | 0.332 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -19.8 | 177.3 | -72.2 | -165.9 | 171.2 | 118.7 | 6.3 | 115 | A274 T278 K487 E490 | A274-R276 PolarHBondContact O-N 2.87Å; R276-T278 VanDerWaalsContact C-N 3.32Å; R276-K487 HydrophobicContact CB-CD 4.48Å; R276-E490 IonicContact CZ-OE2 2.76Å; R276-E490 IonicContact NH1-OE2 2.73Å; R276-E490 PolarHBondContact NH1-OE2 2.84Å |
| 277 | K | 92.7 | Very high | 94.5 | Very high | 134 Ų | 134 | 44.2 Ų | 44.2 | 58% | 0.583 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -19.7 | 176.5 | -69 | -172 | 175.7 | -174.1 | 0 | 113.3 | K275 N489 | K275-K277 PolarHBondContact O-N 2.87Å; K277-N489 WeakPolarHBondContact CE-OD1 3.36Å; K277-N489 PolarHBondContact NZ-OD1 2.97Å |
| 278 | T | 95.6 | Very high | 94 | Very high | 23 Ų | 23 | 46 Ų | 46 | 14% | 0.141 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -100.6 | 110.2 | 175.6 | -56.6 | 0 | 0 | 0 | 0 | 107.6 | P241 I244 K275 R276 R366 | P241-T278 HydrophobicContact CG-CG2 4.47Å; P241-T278 WeakPolarHBondContact O-CG2 3.32Å; P241-T278 PolarHBondContact O-OG1 2.79Å; I244-T278 HydrophobicContact CD1-CG2 3.8Å; I244-T278 HydrophobicContact CG1-CG2 3.91Å; K275-T278 PolarHBondContact O-N 3.21Å; K275-T278 VanDerWaalsContact O-N 3.13Å; R276-T278 VanDerWaalsContact C-N 3.32Å; T278-R366 PolarHBondContact O-NH2 3.5Å; T278-R366 VanDerWaalsContact O-NH2 3.08Å |
| 279 | P | 97.4 | Very high | 93.8 | Very high | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.006 | 21% | 0.206 | C | C | . | . | trans | -66 | 143.1 | 177.7 | 28.3 | -34.1 | 0 | 0 | 0 | 110.8 | F56 D242 L243 I244 D305 W387 F485 | F56-P279 HydrophobicContact CE1-CG 3.84Å; F56-P279 HydrophobicContact CZ-CG 4.19Å; D242-P279 VanDerWaalsContact O-CD 3.25Å; D242-P279 WeakPolarHBondContact O-CD 3.41Å; L243-P279 HydrophobicContact CD1-CB 4.41Å; L243-P279 HydrophobicContact CD1-CG 3.97Å; I244-P279 PolarHBondContact N-O 3.33Å; P279-D305 WeakPolarHBondContact CA-OD2 3.44Å; P279-D305 HydrophobicContact CB-CB 4.27Å; P279-W387 HydrophobicContact CB-CH2 4Å; P279-W387 HydrophobicContact CB-CZ2 3.89Å; P279-F485 HydrophobicContact CB-CB 4.36Å; P279-F485 HydrophobicContact CB-CD1 3.75Å; P279-F485 HydrophobicContact CB-CD2 3.89Å; P279-F485 HydrophobicContact CB-CE1 3.88Å; P279-F485 HydrophobicContact CB-CE2 4.01Å; P279-F485 HydrophobicContact CB-CG 3.73Å; P279-F485 HydrophobicContact CB-CZ 4Å; P279-F485 VanDerWaalsContact CD-CD1 3.46Å; P279-F485 HydrophobicContact CG-CB 3.97Å; P279-F485 HydrophobicContact CG-CD1 3.48Å; P279-F485 VanDerWaalsContact CG-CD1 3.48Å; P279-F485 HydrophobicContact CG-CD2 4.35Å; P279-F485 HydrophobicContact CG-CE1 3.98Å; P279-F485 HydrophobicContact CG-CG 3.67Å | ||
| 280 | I | 98.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 114.1 | 173.8 | -53.6 | 173.5 | 0 | 0 | 0 | 107.5 | I244 L246 L271 A274 V304 D305 S306 | I244-I280 HydrophobicContact CB-CG1 4.37Å; I244-I280 HydrophobicContact CD1-CG1 4.24Å; I244-I280 HydrophobicContact CG2-CG2 4.46Å; I244-I280 CarbonylContact O-C 3.58Å; I244-I280 WeakPolarHBondContact O-CA 3.41Å; L246-I280 HydrophobicContact CD1-CG2 3.61Å; L246-I280 HydrophobicContact CG-CG2 3.91Å; L271-I280 HydrophobicContact CD2-CD1 3.58Å; L271-I280 HydrophobicContact CD2-CG2 3.91Å; A274-I280 HydrophobicContact CB-CD1 3.68Å; I280-V304 HydrophobicContact CG2-CB 4.34Å; I280-V304 HydrophobicContact CG2-CG1 4.01Å; I280-D305 PolarHBondContact N-OD2 2.95Å; I280-D305 PolarHBondContact O-N 2.85Å; I280-S306 PolarHBondContact O-N 2.86Å; I280-S306 VanDerWaalsContact O-N 3.09Å |
| 281 | H | 98.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 135 | 172.6 | -175 | 88.7 | 0 | 0 | 0 | 109.2 | L243 I244 V245 L246 S306 T308 D476 L480 | L243-H281 HydrophobicContact CD1-CB 4.09Å; I244-H281 PolarHBondContact O-N 3.15Å; V245-H281 CarbonylContact C-O 3.57Å; V245-H281 WeakPolarHBondContact CA-O 3.49Å; V245-H281 HydrophobicContact CG2-CB 4.4Å; L246-H281 PolarHBondContact N-O 3.34Å; H281-S306 CarbonylContact C-O 3.43Å; H281-S306 WeakPolarHBondContact CA-O 3.24Å; H281-S306 PolarHBondContact CE1-OG 3.48Å; H281-S306 WeakPolarHBondContact ND1-CB 3.34Å; H281-S306 PolarHBondContact ND1-OG 2.88Å; H281-T308 PolarHBondContact CE1-OG1 3.02Å; H281-T308 PolarHBondContact NE2-OG1 3.19Å; H281-D476 IonicContact CD2-OD2 3.33Å; H281-D476 IonicContact CE1-OD1 3.69Å; H281-D476 PolarHBondContact CE1-OD1 2.69Å; H281-D476 IonicContact NE2-OD1 3.47Å; H281-D476 PolarHBondContact NE2-OD1 3.29Å; H281-D476 VanDerWaalsContact NE2-OD1 3.16Å; H281-D476 IonicContact NE2-OD2 3.91Å; H281-D476 PolarHBondContact NE2-OD2 3.37Å; H281-D476 VanDerWaalsContact NE2-OD2 3.11Å; H281-L480 HydrophobicContact CB-CD1 4.28Å; H281-L480 HydrophobicContact CB-CD2 3.94Å |
| 282 | L | 98.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 122.7 | 173 | 176.7 | 67 | 0 | 0 | 0 | 109.4 | L246 V249 F296 V300 V304 S306 L307 T308 | L246-L282 HydrophobicContact CB-CD1 3.83Å; L246-L282 CarbonylContact O-C 3.34Å; L246-L282 WeakPolarHBondContact O-CA 3.18Å; L246-L282 WeakPolarHBondContact O-CD1 3.29Å; V249-L282 HydrophobicContact CG2-CD1 4.09Å; L282-F296 HydrophobicContact CD2-CE2 3.68Å; L282-F296 HydrophobicContact CD2-CZ 3.56Å; L282-V300 HydrophobicContact CD2-CG1 3.97Å; L282-V304 HydrophobicContact CB-CB 4.19Å; L282-V304 HydrophobicContact CB-CG1 4.04Å; L282-V304 HydrophobicContact CB-CG2 4Å; L282-V304 HydrophobicContact CD2-CG1 4.34Å; L282-V304 HydrophobicContact CD2-CG2 4.26Å; L282-S306 PolarHBondContact N-O 2.87Å; L282-L307 HydrophobicContact CB-CD1 4.33Å; L282-L307 HydrophobicContact CD2-CD1 4.07Å; L282-L307 HydrophobicContact CG-CD1 4.17Å; L282-L307 CarbonylContact O-C 3.29Å; L282-L307 VanDerWaalsContact O-CA 3.27Å; L282-L307 WeakPolarHBondContact O-CA 3.32Å; L282-T308 PolarHBondContact O-N 3.35Å |
| 283 | E | 97.9 | Very high | 93.8 | Very high | 3 Ų | 3 | 40.6 Ų | 40.6 | 1% | 0.014 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 127.9 | 165.5 | -173.1 | -160.2 | -173.2 | 0 | 0 | 108.8 | N144 I148 L246 S247 Q473 | N144-E283 VanDerWaalsContact CB-OE2 3.28Å; N144-E283 WeakPolarHBondContact CB-OE2 3.47Å; I148-E283 HydrophobicContact CD1-CB 4.11Å; I148-E283 HydrophobicContact CD1-CG 4.3Å; I148-E283 WeakPolarHBondContact CD1-OE2 3.2Å; L246-E283 PolarHBondContact O-N 3.09Å; S247-E283 WeakPolarHBondContact CB-OE2 3.21Å; S247-E283 PolarHBondContact OG-O 3.29Å; S247-E283 PolarHBondContact OG-OE2 3.3Å; E283-Q473 VanDerWaalsContact OE1-CG 3.31Å; E283-Q473 WeakPolarHBondContact OE1-CG 3.23Å; E283-Q473 PolarHBondContact OE1-NE2 3.27Å |
| 284 | L | 95.6 | Very high | 94.1 | Very high | 7 Ų | 7 | 40.5 Ų | 40.5 | 4% | 0.037 | 20% | 0.2 | C | C | . | . | trans | -98.3 | 128.5 | -179.5 | -161.6 | 56.2 | 0 | 0 | 0 | 110.3 | M287 F296 L307 T308 L309 E313 L317 | L284-M287 HydrophobicContact CD1-CE 3.52Å; L284-M287 HydrophobicContact CD1-SD 3.95Å; L284-M287 HydrophobicContact CD2-CE 3.6Å; L284-M287 HydrophobicContact CG-CE 3.72Å; L284-F296 HydrophobicContact CD1-CE1 3.95Å; L284-F296 HydrophobicContact CD1-CE2 4.03Å; L284-F296 HydrophobicContact CD1-CZ 3.54Å; L284-F296 HydrophobicContact CD2-CE1 4.16Å; L284-F296 HydrophobicContact CD2-CZ 4.35Å; L284-L307 HydrophobicContact CB-CD1 4.21Å; L284-T308 PolarHBondContact N-O 3.11Å; L284-L309 HydrophobicContact CB-CB 3.94Å; L284-L309 HydrophobicContact CD2-CB 4.36Å; L284-L309 HydrophobicContact CD2-CD2 4.24Å; L284-E313 HydrophobicContact CD2-CB 3.99Å; L284-E313 HydrophobicContact CD2-CG 4.26Å; L284-E313 HydrophobicContact CG-CB 4.36Å; L284-E313 HydrophobicContact CG-CG 4.1Å; L284-L317 HydrophobicContact CD2-CD1 3.91Å; L284-L317 HydrophobicContact CD2-CD2 4.38Å; L284-L317 HydrophobicContact CD2-CG 4.31Å | ||
| 285 | G | 91.2 | Very high | 94.3 | Very high | 7 Ų | 7 | 43.9 Ų | 43.9 | 7% | 0.072 | 21% | 0.212 | C | C | . | . | trans | -95.7 | -178 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | H250 M287 E313 | H250-G285 PolarHBondContact ND1-N 3.46Å; G285-M287 PolarHBondContact O-N 2.86Å; G285-E313 VanDerWaalsContact O-CG 3.31Å; G285-E313 WeakPolarHBondContact O-CG 3.18Å | ||
| 286 | H | 88.7 | Confident | 94.5 | Very high | 52 Ų | 52 | 36.1 Ų | 36.1 | 24% | 0.241 | 18% | 0.179 | C | C | . | . | trans | -58.6 | 133 | -179.5 | -174.8 | 72 | 0 | 0 | 0 | 110.9 | H250 E313 | H250-H286 WeakPolarHBondContact CB-O 3.35Å; H286-E313 WeakPolarHBondContact CA-OE1 3.4Å | ||
| 287 | M | 90.1 | Very high | 94.8 | Very high | 6 Ų | 6 | 32 Ų | 32 | 3% | 0.03 | 16% | 0.163 | C | C | . | . | trans | -134 | 144.6 | 172.4 | -64.9 | 178.3 | -63 | 0 | 0 | 109.4 | H250 E253 L284 G285 F292 V293 F296 I316 L317 | H250-M287 HydrophobicContact CB-CG 3.56Å; H250-M287 HydrophobicContact CB-SD 4.35Å; E253-M287 WeakPolarHBondContact OE1-CA 3.21Å; L284-M287 HydrophobicContact CD1-CE 3.52Å; L284-M287 HydrophobicContact CD1-SD 3.95Å; L284-M287 HydrophobicContact CD2-CE 3.6Å; L284-M287 HydrophobicContact CG-CE 3.72Å; G285-M287 PolarHBondContact O-N 2.86Å; M287-F292 HydrophobicContact CG-CE1 4.38Å; M287-F292 HydrophobicContact SD-CD1 3.96Å; M287-F292 HydrophobicContact SD-CE1 3.67Å; M287-V293 HydrophobicContact CB-CG2 3.74Å; M287-V293 HydrophobicContact CE-CG2 4.03Å; M287-V293 HydrophobicContact CG-CG2 4.49Å; M287-V293 HydrophobicContact SD-CG2 4.04Å; M287-F296 HydrophobicContact CE-CD1 4.27Å; M287-F296 HydrophobicContact CE-CE1 4.35Å; M287-F296 HydrophobicContact SD-CD1 4.47Å; M287-I316 WeakPolarHBondContact O-CD1 3.43Å; M287-L317 HydrophobicContact CE-CD2 4.45Å | ||
| 288 | S | 85.8 | Confident | 94.9 | Very high | 39 Ų | 39 | 28.8 Ų | 28.8 | 27% | 0.273 | 16% | 0.155 | S | C | . | . | trans | -129.3 | -22.7 | -179.3 | 63.5 | 0 | 0 | 0 | 0 | 113.6 | E253 V290 | E253-S288 PolarHBondContact OE1-N 3.21Å; E253-S288 PolarHBondContact OE2-N 3.03Å; S288-V290 PolarHBondContact O-N 3.29Å | ||
| 289 | N | 90.7 | Very high | 94.9 | Very high | 31 Ų | 31 | 29.6 Ų | 29.6 | 17% | 0.166 | 16% | 0.156 | C | C | . | . | trans | -80.6 | 104 | -179 | -176 | -30.4 | 0 | 0 | 0 | 111.4 | E253 T291 F292 V293 | E253-N289 HydrophobicContact CB-CB 4.26Å; E253-N289 VanDerWaalsContact OE2-CB 3.22Å; E253-N289 WeakPolarHBondContact OE2-CB 3.31Å; E253-N289 PolarHBondContact OE2-N 2.47Å; N289-T291 PolarHBondContact O-N 3.36Å; N289-T291 WeakPolarHBondContact OD1-CB 3.41Å; N289-T291 PolarHBondContact OD1-N 3.18Å; N289-F292 HydrophobicContact CB-CB 3.81Å; N289-F292 WeakPolarHBondContact O-CB 3.28Å; N289-F292 PolarHBondContact O-N 3.46Å; N289-F292 PolarHBondContact OD1-N 3.5Å; N289-F292 VanDerWaalsContact OD1-N 3.07Å; N289-V293 WeakPolarHBondContact O-CG2 3.35Å; N289-V293 PolarHBondContact O-N 2.81Å | ||
| 290 | V | 93.2 | Very high | 94.9 | Very high | 67 Ų | 67 | 29.5 Ų | 29.5 | 41% | 0.406 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -53.4 | -38.7 | 179.7 | 169.5 | 0 | 0 | 0 | 0 | 113 | S288 K294 V320 | S288-V290 PolarHBondContact O-N 3.29Å; V290-K294 WeakPolarHBondContact O-CB 3.48Å; V290-K294 PolarHBondContact O-N 2.77Å; V290-V320 HydrophobicContact CB-CG2 4.28Å; V290-V320 HydrophobicContact CG1-CG1 4.28Å; V290-V320 HydrophobicContact CG1-CG2 3.93Å; V290-V320 HydrophobicContact CG2-CG2 4.14Å |
| 291 | T | 95.6 | Very high | 94.9 | Very high | 82 Ų | 82 | 29.5 Ų | 29.5 | 50% | 0.503 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -68.8 | -42.7 | 179.7 | -59.6 | 0 | 0 | 0 | 0 | 111.1 | W260 N289 K294 K295 | W260-T291 HydrophobicContact CH2-CG2 4.25Å; W260-T291 HydrophobicContact CZ2-CG2 4.21Å; N289-T291 PolarHBondContact O-N 3.36Å; N289-T291 WeakPolarHBondContact OD1-CB 3.41Å; N289-T291 PolarHBondContact OD1-N 3.18Å; T291-K294 PolarHBondContact O-N 2.95Å; T291-K295 PolarHBondContact O-N 3.17Å |
| 292 | F | 96 | Very high | 94.8 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.4 | -52.7 | 174.3 | 178.2 | -95.5 | 0 | 0 | 0 | 110.9 | V249 L252 E253 W260 L264 M287 N289 K294 K295 F296 | V249-F292 HydrophobicContact CG1-CZ 4.34Å; V249-F292 VanDerWaalsContact O-CZ 3.26Å; V249-F292 WeakPolarHBondContact O-CZ 3.31Å; L252-F292 HydrophobicContact CB-CE2 3.7Å; L252-F292 HydrophobicContact CB-CZ 3.91Å; E253-F292 HydrophobicContact CB-CB 4.03Å; E253-F292 HydrophobicContact CB-CD1 3.71Å; E253-F292 HydrophobicContact CB-CD2 3.95Å; E253-F292 HydrophobicContact CB-CE1 4.17Å; E253-F292 HydrophobicContact CB-CE2 4.4Å; E253-F292 HydrophobicContact CB-CG 3.6Å; W260-F292 HydrophobicContact CB-CD2 4.31Å; W260-F292 HydrophobicContact CB-CE2 4.13Å; W260-F292 AromaticContact CD2-CD2 3.57Å; W260-F292 HydrophobicContact CD2-CD2 3.57Å; W260-F292 HydrophobicContact CD2-CE2 4.14Å; W260-F292 AromaticContact CE3-CD2 3.64Å; W260-F292 HydrophobicContact CE3-CD2 3.64Å; W260-F292 HydrophobicContact CE3-CE2 4.05Å; W260-F292 AromaticContact CG-CD2 3.87Å; W260-F292 HydrophobicContact CG-CD2 3.87Å; W260-F292 HydrophobicContact CG-CE2 4.19Å; W260-F292 HydrophobicContact CZ2-CB 4.43Å; W260-F292 HydrophobicContact CZ3-CD2 4.22Å; L264-F292 HydrophobicContact CD1-CD2 4.36Å; L264-F292 HydrophobicContact CD1-CE2 3.99Å; L264-F292 HydrophobicContact CD1-CZ 4.5Å; L264-F292 HydrophobicContact CD2-CE2 4.22Å; L264-F292 HydrophobicContact CD2-CZ 4.16Å; L264-F292 HydrophobicContact CG-CE2 4.22Å; M287-F292 HydrophobicContact CG-CE1 4.38Å; M287-F292 HydrophobicContact SD-CD1 3.96Å; M287-F292 HydrophobicContact SD-CE1 3.67Å; N289-F292 HydrophobicContact CB-CB 3.81Å; N289-F292 WeakPolarHBondContact O-CB 3.28Å; N289-F292 PolarHBondContact O-N 3.46Å; N289-F292 PolarHBondContact OD1-N 3.5Å; N289-F292 VanDerWaalsContact OD1-N 3.07Å; F292-K294 VanDerWaalsContact C-N 3.28Å; F292-K294 PolarHBondContact O-N 3.29Å; F292-K295 PolarHBondContact O-N 3.49Å; F292-F296 HydrophobicContact CE1-CB 4.31Å; F292-F296 WeakPolarHBondContact O-CB 3.43Å; F292-F296 PolarHBondContact O-N 2.67Å |
| 293 | V | 96.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -54.8 | -44.3 | 179.7 | 176 | 0 | 0 | 0 | 0 | 110.9 | M287 N289 K295 F296 M297 I316 L317 V320 | M287-V293 HydrophobicContact CB-CG2 3.74Å; M287-V293 HydrophobicContact CE-CG2 4.03Å; M287-V293 HydrophobicContact CG-CG2 4.49Å; M287-V293 HydrophobicContact SD-CG2 4.04Å; N289-V293 WeakPolarHBondContact O-CG2 3.35Å; N289-V293 PolarHBondContact O-N 2.81Å; V293-K295 VanDerWaalsContact C-N 3.31Å; V293-K295 PolarHBondContact O-N 2.86Å; V293-F296 WeakPolarHBondContact O-CB 3.47Å; V293-F296 PolarHBondContact O-N 2.73Å; V293-M297 HydrophobicContact CG1-CG 4.24Å; V293-M297 HydrophobicContact CG1-SD 4Å; V293-M297 WeakPolarHBondContact O-CB 3.31Å; V293-M297 VanDerWaalsContact O-CG 3.23Å; V293-M297 WeakPolarHBondContact O-CG 3.07Å; V293-M297 PolarHBondContact O-N 2.93Å; V293-I316 HydrophobicContact CG2-CD1 3.97Å; V293-I316 HydrophobicContact CG2-CG1 4.4Å; V293-L317 HydrophobicContact CG1-CD2 3.99Å; V293-V320 HydrophobicContact CB-CB 4.43Å; V293-V320 HydrophobicContact CB-CG1 4.16Å; V293-V320 HydrophobicContact CB-CG2 4.16Å; V293-V320 HydrophobicContact CG1-CB 3.86Å; V293-V320 HydrophobicContact CG1-CG1 3.93Å; V293-V320 HydrophobicContact CG1-CG2 3.91Å |
| 294 | K | 97.1 | Very high | 94.7 | Very high | 133 Ų | 133 | 29.8 Ų | 29.8 | 58% | 0.578 | 16% | 0.157 | S | C | * | . | H | α-helix | trans | -60.1 | -39.8 | 178.1 | -170.7 | 170.6 | -175.3 | 169.4 | 0 | 112.7 | V290 T291 F292 T298 V320 | V290-K294 WeakPolarHBondContact O-CB 3.48Å; V290-K294 PolarHBondContact O-N 2.77Å; T291-K294 PolarHBondContact O-N 2.95Å; F292-K294 VanDerWaalsContact C-N 3.28Å; F292-K294 PolarHBondContact O-N 3.29Å; K294-T298 PolarHBondContact O-OG1 2.85Å; K294-V320 HydrophobicContact CB-CG1 3.63Å; K294-V320 HydrophobicContact CG-CG1 4.33Å |
| 295 | K | 97.4 | Very high | 94.8 | Very high | 85 Ų | 85 | 29.7 Ų | 29.7 | 37% | 0.37 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -74.6 | -39.5 | 176.6 | -67 | -60.8 | -173.3 | -179.7 | 0 | 111.6 | W260 L261 L264 T291 F292 V293 M297 T298 K299 | W260-K295 HydrophobicContact CH2-CB 3.97Å; W260-K295 HydrophobicContact CH2-CG 3.6Å; W260-K295 HydrophobicContact CZ3-CB 3.54Å; W260-K295 HydrophobicContact CZ3-CG 3.62Å; L261-K295 HydrophobicContact CD1-CD 4.14Å; L261-K295 HydrophobicContact CD1-CG 4.13Å; L264-K295 HydrophobicContact CD1-CB 3.78Å; T291-K295 PolarHBondContact O-N 3.17Å; F292-K295 PolarHBondContact O-N 3.49Å; V293-K295 VanDerWaalsContact C-N 3.31Å; V293-K295 PolarHBondContact O-N 2.86Å; K295-M297 VanDerWaalsContact C-N 3.35Å; K295-M297 PolarHBondContact O-N 3.46Å; K295-T298 PolarHBondContact O-N 3.41Å; K295-T298 VanDerWaalsContact O-N 3.17Å; K295-T298 PolarHBondContact O-OG1 2.85Å; K295-K299 VanDerWaalsContact O-CB 3.3Å; K295-K299 WeakPolarHBondContact O-CB 3.28Å; K295-K299 WeakPolarHBondContact O-CG 3.01Å; K295-K299 PolarHBondContact O-N 2.86Å |
| 296 | F | 97.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -55.1 | -49.4 | 172.9 | 163.3 | -96.1 | 0 | 0 | 0 | 111.4 | V249 L282 L284 M287 F292 V293 T298 K299 V300 L301 L317 | V249-F296 HydrophobicContact CG1-CD2 3.83Å; V249-F296 HydrophobicContact CG1-CE2 4.08Å; L282-F296 HydrophobicContact CD2-CE2 3.68Å; L282-F296 HydrophobicContact CD2-CZ 3.56Å; L284-F296 HydrophobicContact CD1-CE1 3.95Å; L284-F296 HydrophobicContact CD1-CE2 4.03Å; L284-F296 HydrophobicContact CD1-CZ 3.54Å; L284-F296 HydrophobicContact CD2-CE1 4.16Å; L284-F296 HydrophobicContact CD2-CZ 4.35Å; M287-F296 HydrophobicContact CE-CD1 4.27Å; M287-F296 HydrophobicContact CE-CE1 4.35Å; M287-F296 HydrophobicContact SD-CD1 4.47Å; F292-F296 HydrophobicContact CE1-CB 4.31Å; F292-F296 WeakPolarHBondContact O-CB 3.43Å; F292-F296 PolarHBondContact O-N 2.67Å; V293-F296 WeakPolarHBondContact O-CB 3.47Å; V293-F296 PolarHBondContact O-N 2.73Å; F296-T298 PolarHBondContact O-N 2.94Å; F296-T298 VanDerWaalsContact O-N 3.1Å; F296-K299 PolarHBondContact O-N 3.35Å; F296-V300 HydrophobicContact CD2-CB 3.77Å; F296-V300 HydrophobicContact CD2-CG1 4.15Å; F296-V300 HydrophobicContact CD2-CG2 4.19Å; F296-V300 HydrophobicContact CE2-CB 3.81Å; F296-V300 HydrophobicContact CE2-CG1 3.72Å; F296-V300 PolarHBondContact O-N 3.14Å; F296-L301 HydrophobicContact CE1-CB 4.11Å; F296-L301 HydrophobicContact CZ-CB 4.34Å; F296-L301 PolarHBondContact O-N 3.4Å; F296-L317 HydrophobicContact CD1-CD2 4.27Å; F296-L317 HydrophobicContact CE1-CD2 4.09Å |
| 297 | M | 96.8 | Very high | 95.6 | Very high | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.01 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -60.3 | -23.5 | 179.5 | -71.1 | -179.7 | 84.7 | 0 | 0 | 113.8 | V293 K295 L301 P302 L317 V320 W347 Y352 | V293-M297 HydrophobicContact CG1-CG 4.24Å; V293-M297 HydrophobicContact CG1-SD 4Å; V293-M297 WeakPolarHBondContact O-CB 3.31Å; V293-M297 VanDerWaalsContact O-CG 3.23Å; V293-M297 WeakPolarHBondContact O-CG 3.07Å; V293-M297 PolarHBondContact O-N 2.93Å; K295-M297 VanDerWaalsContact C-N 3.35Å; K295-M297 PolarHBondContact O-N 3.46Å; M297-L301 HydrophobicContact CB-CD2 4.24Å; M297-L301 HydrophobicContact CE-CD2 4.29Å; M297-L301 HydrophobicContact CG-CD2 4.03Å; M297-P302 VanDerWaalsContact O-CD 3.3Å; M297-P302 WeakPolarHBondContact O-CD 3.4Å; M297-P302 WeakPolarHBondContact O-CG 3.38Å; M297-L317 HydrophobicContact CE-CB 4.14Å; M297-L317 HydrophobicContact CE-CD2 4.14Å; M297-L317 WeakPolarHBondContact CE-O 3.49Å; M297-L317 HydrophobicContact CG-CD2 3.6Å; M297-L317 HydrophobicContact SD-CD2 3.83Å; M297-V320 HydrophobicContact SD-CB 4.34Å; M297-V320 HydrophobicContact SD-CG1 4.33Å; M297-W347 HydrophobicContact CE-CH2 3.67Å; M297-W347 HydrophobicContact CE-CZ3 4.32Å; M297-Y352 HydrophobicContact CB-CE1 4.19Å; M297-Y352 HydrophobicContact CE-CE1 4.47Å; M297-Y352 HydrophobicContact CE-CE2 3.54Å; M297-Y352 VanDerWaalsContact CE-CZ 3.47Å; M297-Y352 WeakPolarHBondContact CE-OH 3.32Å; M297-Y352 WeakPolarHBondContact O-CD1 2.89Å; M297-Y352 VanDerWaalsContact O-CE1 3.25Å; M297-Y352 WeakPolarHBondContact O-CE1 3.16Å |
| 298 | T | 94.7 | Very high | 96 | Very high | 67 Ų | 67 | 26.6 Ų | 26.6 | 41% | 0.411 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -103.3 | -19.9 | -179.3 | 55.1 | 0 | 0 | 0 | 0 | 113.9 | K294 K295 F296 | K294-T298 PolarHBondContact O-OG1 2.85Å; K295-T298 PolarHBondContact O-N 3.41Å; K295-T298 VanDerWaalsContact O-N 3.17Å; K295-T298 PolarHBondContact O-OG1 2.85Å; F296-T298 PolarHBondContact O-N 2.94Å; F296-T298 VanDerWaalsContact O-N 3.1Å |
| 299 | K | 95.6 | Very high | 96.6 | Very high | 39 Ų | 39 | 24.8 Ų | 24.8 | 17% | 0.17 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -108.5 | -28.2 | -175.3 | -70.5 | 178.8 | 175.9 | -88.1 | 0 | 114.2 | L261 L264 T265 K268 K295 F296 F303 | L261-K299 HydrophobicContact CD1-CD 4.3Å; L264-K299 HydrophobicContact CB-CB 4.25Å; L264-K299 HydrophobicContact CB-CD 3.79Å; T265-K299 PolarHBondContact OG1-NZ 3.14Å; K268-K299 HydrophobicContact CB-CB 4.42Å; K268-K299 WeakPolarHBondContact CB-O 3.19Å; K268-K299 HydrophobicContact CD-CB 4.33Å; K268-K299 HydrophobicContact CD-CG 4.34Å; K268-K299 WeakPolarHBondContact CG-O 3.47Å; K295-K299 VanDerWaalsContact O-CB 3.3Å; K295-K299 WeakPolarHBondContact O-CB 3.28Å; K295-K299 WeakPolarHBondContact O-CG 3.01Å; K295-K299 PolarHBondContact O-N 2.86Å; F296-K299 PolarHBondContact O-N 3.35Å; K299-F303 WeakPolarHBondContact O-CD2 3.34Å |
| 300 | V | 97.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.2 | -57.7 | -173.8 | 179.5 | 0 | 0 | 0 | 0 | 110.8 | L264 I267 L271 L282 F296 P302 F303 V304 | L264-V300 HydrophobicContact CD2-CG2 3.72Å; I267-V300 HydrophobicContact CB-CG2 4.42Å; I267-V300 HydrophobicContact CG2-CG1 4.32Å; I267-V300 HydrophobicContact CG2-CG2 3.89Å; L271-V300 HydrophobicContact CD1-CG1 4.06Å; L282-V300 HydrophobicContact CD2-CG1 3.97Å; F296-V300 HydrophobicContact CD2-CB 3.77Å; F296-V300 HydrophobicContact CD2-CG1 4.15Å; F296-V300 HydrophobicContact CD2-CG2 4.19Å; F296-V300 HydrophobicContact CE2-CB 3.81Å; F296-V300 HydrophobicContact CE2-CG1 3.72Å; F296-V300 PolarHBondContact O-N 3.14Å; V300-P302 VanDerWaalsContact C-N 3.33Å; V300-P302 WeakPolarHBondContact O-CD 3.42Å; V300-P302 VanDerWaalsContact O-N 3.12Å; V300-F303 PolarHBondContact O-N 3.46Å; V300-V304 HydrophobicContact CG1-CG1 4.43Å |
| 301 | L | 97.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.109 | C | C | . | . | G | 310 helix | trans | -47.6 | -42.3 | -174.4 | -179.6 | 63.9 | 0 | 0 | 0 | 115.2 | F296 M297 F303 V304 L307 L348 Y352 L367 | F296-L301 HydrophobicContact CE1-CB 4.11Å; F296-L301 HydrophobicContact CZ-CB 4.34Å; F296-L301 PolarHBondContact O-N 3.4Å; M297-L301 HydrophobicContact CB-CD2 4.24Å; M297-L301 HydrophobicContact CE-CD2 4.29Å; M297-L301 HydrophobicContact CG-CD2 4.03Å; L301-F303 PolarHBondContact O-N 3.42Å; L301-V304 WeakPolarHBondContact O-CG2 3.43Å; L301-L307 HydrophobicContact CD1-CD1 4.33Å; L301-L307 HydrophobicContact CD1-CD2 3.49Å; L301-L307 VanDerWaalsContact CD1-CD2 3.49Å; L301-L307 HydrophobicContact CD1-CG 4.44Å; L301-L348 HydrophobicContact CD2-CD2 4.18Å; L301-Y352 HydrophobicContact CD2-CD1 4.26Å; L301-Y352 HydrophobicContact CD2-CD2 3.95Å; L301-Y352 HydrophobicContact CD2-CE2 4.32Å; L301-Y352 HydrophobicContact CD2-CG 3.91Å; L301-Y352 HydrophobicContact CG-CG 4.37Å; L301-L367 HydrophobicContact CD1-CD2 3.97Å; L301-L367 HydrophobicContact CG-CD2 4.27Å |
| 302 | P | 96.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.096 | C | C | . | . | G | 310 helix | trans | -73.3 | -17.1 | -178.5 | -12.7 | 28.2 | 0 | 0 | 0 | 113.6 | M297 V300 Y352 Y365 R366 | M297-P302 VanDerWaalsContact O-CD 3.3Å; M297-P302 WeakPolarHBondContact O-CD 3.4Å; M297-P302 WeakPolarHBondContact O-CG 3.38Å; V300-P302 VanDerWaalsContact C-N 3.33Å; V300-P302 WeakPolarHBondContact O-CD 3.42Å; V300-P302 VanDerWaalsContact O-N 3.12Å; P302-Y352 WeakPolarHBondContact CA-O 3.46Å; P302-Y352 HydrophobicContact CG-CD1 4.05Å; P302-Y365 HydrophobicContact CB-CD1 3.34Å; P302-Y365 HydrophobicContact CB-CD2 3.74Å; P302-Y365 HydrophobicContact CB-CE1 3.39Å; P302-Y365 HydrophobicContact CB-CE2 3.77Å; P302-Y365 HydrophobicContact CB-CG 3.52Å; P302-Y365 HydrophobicContact CG-CD1 4.42Å; P302-Y365 HydrophobicContact CG-CE1 4.01Å; P302-Y365 HydrophobicContact CG-CE2 4.27Å; P302-Y365 CarbonylContact O-C 3.54Å; P302-Y365 WeakPolarHBondContact O-CA 3.44Å; P302-R366 PolarHBondContact O-N 2.76Å |
| 303 | F | 96.9 | Very high | 96.4 | Very high | 9 Ų | 9 | 20.5 Ų | 20.5 | 4% | 0.039 | 10% | 0.099 | C | C | . | . | G | 310 helix | trans | -105.1 | 9.3 | -169.4 | -55.7 | -81.8 | 0 | 0 | 0 | 113.4 | K268 L271 N272 K299 V300 L301 Y365 | K268-F303 HydrophobicContact CD-CE2 4.08Å; K268-F303 HydrophobicContact CD-CZ 4.41Å; K268-F303 VanDerWaalsContact CE-CZ 3.49Å; K268-F303 HydrophobicContact CG-CD2 4.26Å; K268-F303 HydrophobicContact CG-CE2 4.05Å; K268-F303 HydrophobicContact CG-CZ 4.45Å; L271-F303 HydrophobicContact CB-CB 3.8Å; L271-F303 HydrophobicContact CD1-CB 3.85Å; L271-F303 HydrophobicContact CG-CB 4.45Å; N272-F303 VanDerWaalsContact OD1-CD1 3.31Å; N272-F303 WeakPolarHBondContact OD1-CD1 3.12Å; N272-F303 WeakPolarHBondContact OD1-CE1 3.4Å; K299-F303 WeakPolarHBondContact O-CD2 3.34Å; V300-F303 PolarHBondContact O-N 3.46Å; L301-F303 PolarHBondContact O-N 3.42Å; F303-Y365 HydrophobicContact CE1-CD1 4.3Å; F303-Y365 HydrophobicContact CE1-CE1 4.41Å; F303-Y365 HydrophobicContact CZ-CD1 4.37Å; F303-Y365 HydrophobicContact CZ-CE1 4.05Å |
| 304 | V | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.099 | C | C | . | . | trans | -106.6 | 150.9 | 171.5 | -57.9 | 0 | 0 | 0 | 0 | 109.4 | L271 I280 L282 V300 L301 R366 L367 | L271-V304 HydrophobicContact CD1-CG1 4.1Å; L271-V304 HydrophobicContact CD2-CG1 4.26Å; I280-V304 HydrophobicContact CG2-CB 4.34Å; I280-V304 HydrophobicContact CG2-CG1 4.01Å; L282-V304 HydrophobicContact CB-CB 4.19Å; L282-V304 HydrophobicContact CB-CG1 4.04Å; L282-V304 HydrophobicContact CB-CG2 4Å; L282-V304 HydrophobicContact CD2-CG1 4.34Å; L282-V304 HydrophobicContact CD2-CG2 4.26Å; V300-V304 HydrophobicContact CG1-CG1 4.43Å; L301-V304 WeakPolarHBondContact O-CG2 3.43Å; V304-R366 CarbonylContact O-C 3.51Å; V304-R366 WeakPolarHBondContact O-CB 3.22Å; V304-L367 HydrophobicContact CG2-CD1 4.24Å; V304-L367 WeakPolarHBondContact O-CA 3.35Å; V304-L367 PolarHBondContact O-N 3.18Å | ||
| 305 | D | 97.7 | Very high | 96.2 | Very high | 5 Ų | 5 | 14.4 Ų | 14.4 | 3% | 0.027 | 7% | 0.072 | C | C | . | . | S | Bend | trans | -88.1 | -28.7 | -176.2 | -56.3 | -80.8 | 0 | 0 | 0 | 112.4 | P279 I280 R366 R368 R369 W387 | P279-D305 WeakPolarHBondContact CA-OD2 3.44Å; P279-D305 HydrophobicContact CB-CB 4.27Å; I280-D305 PolarHBondContact N-OD2 2.95Å; I280-D305 PolarHBondContact O-N 2.85Å; D305-R366 WeakPolarHBondContact CA-O 3.42Å; D305-R366 WeakPolarHBondContact OD1-CB 3.31Å; D305-R366 IonicContact OD1-CZ 3.93Å; D305-R366 IonicContact OD1-NE 3.16Å; D305-R366 PolarHBondContact OD1-NE 3.15Å; D305-R366 IonicContact OD1-NH2 3.05Å; D305-R366 PolarHBondContact OD1-NH2 3.31Å; D305-R366 IonicContact OD2-CZ 3.82Å; D305-R366 VanDerWaalsContact OD2-CZ 3.27Å; D305-R366 IonicContact OD2-NE 3.89Å; D305-R366 PolarHBondContact OD2-NE 3.18Å; D305-R366 IonicContact OD2-NH2 3.55Å; D305-R366 PolarHBondContact OD2-NH2 2.93Å; D305-R368 PolarHBondContact O-N 3.04Å; D305-R368 VanDerWaalsContact O-N 3.1Å; D305-R369 PolarHBondContact O-N 3.24Å; D305-W387 HydrophobicContact CB-CZ2 4.11Å; D305-W387 PolarHBondContact O-NE1 3.26Å |
| 306 | S | 98.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 6% | 0.056 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 147.8 | 177.8 | 176.9 | 0 | 0 | 0 | 0 | 111.6 | I280 H281 L282 R369 W387 | I280-S306 PolarHBondContact O-N 2.86Å; I280-S306 VanDerWaalsContact O-N 3.09Å; H281-S306 CarbonylContact C-O 3.43Å; H281-S306 WeakPolarHBondContact CA-O 3.24Å; H281-S306 PolarHBondContact CE1-OG 3.48Å; H281-S306 WeakPolarHBondContact ND1-CB 3.34Å; H281-S306 PolarHBondContact ND1-OG 2.88Å; L282-S306 PolarHBondContact N-O 2.87Å; S306-R369 CarbonylContact C-O 3.54Å; S306-R369 VanDerWaalsContact CA-O 3.27Å; S306-R369 WeakPolarHBondContact CA-O 3.5Å; S306-R369 PolarHBondContact OG-NH1 2.97Å; S306-W387 VanDerWaalsContact CB-CZ2 3.46Å |
| 307 | L | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 6% | 0.056 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 134.8 | 176.8 | 177.8 | 66.8 | 0 | 0 | 0 | 110.3 | L282 L284 L301 L309 L317 L367 R369 V370 H371 | L282-L307 HydrophobicContact CB-CD1 4.33Å; L282-L307 HydrophobicContact CD2-CD1 4.07Å; L282-L307 HydrophobicContact CG-CD1 4.17Å; L282-L307 CarbonylContact O-C 3.29Å; L282-L307 VanDerWaalsContact O-CA 3.27Å; L282-L307 WeakPolarHBondContact O-CA 3.32Å; L284-L307 HydrophobicContact CB-CD1 4.21Å; L301-L307 HydrophobicContact CD1-CD1 4.33Å; L301-L307 HydrophobicContact CD1-CD2 3.49Å; L301-L307 VanDerWaalsContact CD1-CD2 3.49Å; L301-L307 HydrophobicContact CD1-CG 4.44Å; L307-L309 HydrophobicContact CD1-CD2 4.19Å; L307-L309 HydrophobicContact CD2-CD2 3.34Å; L307-L309 HydrophobicContact CD2-CG 4.45Å; L307-L309 HydrophobicContact CG-CD2 3.64Å; L307-L309 HydrophobicContact CG-CG 4.34Å; L307-L317 HydrophobicContact CD2-CD1 4.5Å; L307-L367 HydrophobicContact CB-CD1 3.88Å; L307-R369 PolarHBondContact N-O 2.77Å; L307-V370 HydrophobicContact CB-CG1 4.29Å; L307-V370 HydrophobicContact CB-CG2 4.32Å; L307-V370 HydrophobicContact CD2-CG1 4.02Å; L307-V370 HydrophobicContact CD2-CG2 4.36Å; L307-V370 HydrophobicContact CG-CG1 4.29Å; L307-V370 CarbonylContact O-C 3.53Å; L307-V370 WeakPolarHBondContact O-CA 3.2Å; L307-H371 PolarHBondContact O-N 2.79Å |
| 308 | T | 98.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 10.4 Ų | 10.4 | 0% | 0 | 6% | 0.055 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 137.7 | 164.8 | -66 | 0 | 0 | 0 | 0 | 109.3 | H281 L282 L284 H371 D476 | H281-T308 PolarHBondContact CE1-OG1 3.02Å; H281-T308 PolarHBondContact NE2-OG1 3.19Å; L282-T308 PolarHBondContact O-N 3.35Å; L284-T308 PolarHBondContact N-O 3.11Å; T308-H371 WeakPolarHBondContact CA-O 3.31Å; T308-H371 HydrophobicContact CG2-CB 4.49Å; T308-D476 WeakPolarHBondContact CB-OD1 3.5Å; T308-D476 HydrophobicContact CG2-CB 4.06Å; T308-D476 WeakPolarHBondContact CG2-OD1 3.48Å; T308-D476 PolarHBondContact OG1-OD1 3.02Å |
| 309 | L | 97.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 5% | 0.052 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.5 | 161.6 | -178.2 | 57 | 84.4 | 0 | 0 | 0 | 112.2 | L284 L307 E313 L314 L317 V370 H371 V372 H373 | L284-L309 HydrophobicContact CB-CB 3.94Å; L284-L309 HydrophobicContact CD2-CB 4.36Å; L284-L309 HydrophobicContact CD2-CD2 4.24Å; L307-L309 HydrophobicContact CD1-CD2 4.19Å; L307-L309 HydrophobicContact CD2-CD2 3.34Å; L307-L309 HydrophobicContact CD2-CG 4.45Å; L307-L309 HydrophobicContact CG-CD2 3.64Å; L307-L309 HydrophobicContact CG-CG 4.34Å; L309-E313 HydrophobicContact CB-CB 3.93Å; L309-L314 HydrophobicContact CD1-CB 3.52Å; L309-L314 HydrophobicContact CD1-CD1 3.93Å; L309-L314 HydrophobicContact CD1-CG 4.27Å; L309-L317 HydrophobicContact CD2-CD1 3.63Å; L309-V370 HydrophobicContact CD2-CG1 4.42Å; L309-H371 PolarHBondContact N-O 3.15Å; L309-V372 HydrophobicContact CD1-CG2 3.89Å; L309-V372 WeakPolarHBondContact O-CA 3.34Å; L309-H373 PolarHBondContact O-CD2 3.25Å; L309-H373 PolarHBondContact O-N 2.94Å; L309-H373 VanDerWaalsContact O-N 3.11Å |
| 310 | S | 94.3 | Very high | 96.3 | Very high | 21 Ų | 21 | 9.9 Ų | 9.9 | 15% | 0.147 | 5% | 0.05 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 174 | 173.1 | 93.8 | 0 | 0 | 0 | 0 | 111.9 | Q312 E313 L314 H373 | S310-Q312 VanDerWaalsContact C-N 3.26Å; S310-Q312 PolarHBondContact O-N 2.9Å; S310-Q312 PolarHBondContact OG-N 2.83Å; S310-Q312 VanDerWaalsContact OG-N 3.15Å; S310-E313 VanDerWaalsContact CA-OE2 3.29Å; S310-E313 WeakPolarHBondContact CA-OE2 3.3Å; S310-E313 WeakPolarHBondContact CB-OE2 3.37Å; S310-E313 PolarHBondContact N-OE2 3.48Å; S310-E313 PolarHBondContact O-N 3Å; S310-E313 PolarHBondContact OG-OE2 3.22Å; S310-L314 WeakPolarHBondContact O-CB 3.43Å; S310-L314 PolarHBondContact O-N 3.25Å; S310-H373 WeakPolarHBondContact CA-O 3.4Å; S310-H373 VanDerWaalsContact CB-CE1 3.42Å; S310-H373 WeakPolarHBondContact CB-CE1 3.38Å |
| 311 | E | 92.7 | Very high | 96.3 | Very high | 8 Ų | 8 | 11.2 Ų | 11.2 | 4% | 0.037 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -58.7 | -30.8 | 172.6 | 54.9 | -173.1 | 105.7 | 0 | 0 | 115.3 | M315 M331 T335 I336 S374 L375 | E311-M315 WeakPolarHBondContact O-CG 3.4Å; E311-M315 PolarHBondContact O-N 2.92Å; E311-M315 VanDerWaalsContact O-N 3.17Å; E311-M331 HydrophobicContact CB-CE 4.28Å; E311-M331 HydrophobicContact CG-CE 4.16Å; E311-T335 VanDerWaalsContact OE2-C 3.3Å; E311-T335 WeakPolarHBondContact OE2-CA 3.41Å; E311-I336 HydrophobicContact CB-CB 4.3Å; E311-I336 HydrophobicContact CB-CG2 3.65Å; E311-I336 PolarHBondContact OE2-N 3.11Å; E311-S374 VanDerWaalsContact OE1-CA 3.24Å; E311-S374 WeakPolarHBondContact OE1-CA 3.49Å; E311-S374 WeakPolarHBondContact OE1-CB 3.25Å; E311-S374 PolarHBondContact OE1-OG 3.31Å; E311-L375 PolarHBondContact OE1-N 3.33Å |
| 312 | Q | 90.2 | Very high | 96.3 | Very high | 47 Ų | 47 | 14.1 Ų | 14.1 | 22% | 0.22 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -69.6 | -47 | 176.7 | -61 | -63.3 | -23.6 | 0 | 0 | 110.3 | S310 L314 M315 I316 M331 | S310-Q312 VanDerWaalsContact C-N 3.26Å; S310-Q312 PolarHBondContact O-N 2.9Å; S310-Q312 PolarHBondContact OG-N 2.83Å; S310-Q312 VanDerWaalsContact OG-N 3.15Å; Q312-L314 VanDerWaalsContact C-N 3.31Å; Q312-L314 PolarHBondContact O-N 2.82Å; Q312-M315 PolarHBondContact O-N 3.25Å; Q312-I316 PolarHBondContact O-N 3.01Å; Q312-I316 VanDerWaalsContact O-N 3.09Å; Q312-M331 HydrophobicContact CG-CE 4.27Å |
| 313 | E | 94.4 | Very high | 96.3 | Very high | 15 Ų | 15 | 14.7 Ų | 14.7 | 7% | 0.07 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -65.2 | -36 | 176.1 | -68.6 | 76.7 | -133.7 | 0 | 0 | 111.4 | L284 G285 H286 L309 S310 M315 I316 L317 | L284-E313 HydrophobicContact CD2-CB 3.99Å; L284-E313 HydrophobicContact CD2-CG 4.26Å; L284-E313 HydrophobicContact CG-CB 4.36Å; L284-E313 HydrophobicContact CG-CG 4.1Å; G285-E313 VanDerWaalsContact O-CG 3.31Å; G285-E313 WeakPolarHBondContact O-CG 3.18Å; H286-E313 WeakPolarHBondContact CA-OE1 3.4Å; L309-E313 HydrophobicContact CB-CB 3.93Å; S310-E313 VanDerWaalsContact CA-OE2 3.29Å; S310-E313 WeakPolarHBondContact CA-OE2 3.3Å; S310-E313 WeakPolarHBondContact CB-OE2 3.37Å; S310-E313 PolarHBondContact N-OE2 3.48Å; S310-E313 PolarHBondContact O-N 3Å; S310-E313 PolarHBondContact OG-OE2 3.22Å; E313-M315 VanDerWaalsContact C-N 3.28Å; E313-M315 PolarHBondContact O-N 3.42Å; E313-I316 VanDerWaalsContact O-CG2 3.31Å; E313-I316 WeakPolarHBondContact O-CG2 3.35Å; E313-I316 PolarHBondContact O-N 3.41Å; E313-L317 WeakPolarHBondContact O-CB 3.49Å; E313-L317 WeakPolarHBondContact O-CG 3.3Å; E313-L317 PolarHBondContact O-N 3.42Å |
| 314 | L | 96.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59.2 | -43.9 | 176.4 | -173.7 | 66.1 | 0 | 0 | 0 | 111 | L309 S310 Q312 S318 I336 A341 I344 L345 L348 V372 | L309-L314 HydrophobicContact CD1-CB 3.52Å; L309-L314 HydrophobicContact CD1-CD1 3.93Å; L309-L314 HydrophobicContact CD1-CG 4.27Å; S310-L314 WeakPolarHBondContact O-CB 3.43Å; S310-L314 PolarHBondContact O-N 3.25Å; Q312-L314 VanDerWaalsContact C-N 3.31Å; Q312-L314 PolarHBondContact O-N 2.82Å; L314-S318 PolarHBondContact O-N 2.84Å; L314-S318 VanDerWaalsContact O-N 3.12Å; L314-I336 HydrophobicContact CD2-CD1 3.97Å; L314-A341 HydrophobicContact CD2-CB 3.79Å; L314-I344 HydrophobicContact CD1-CB 4.08Å; L314-I344 HydrophobicContact CD1-CG2 3.47Å; L314-I344 VanDerWaalsContact CD1-CG2 3.47Å; L314-I344 HydrophobicContact CD2-CD1 4.37Å; L314-I344 HydrophobicContact CG-CB 4.24Å; L314-I344 HydrophobicContact CG-CD1 4.18Å; L314-I344 HydrophobicContact CG-CG2 3.85Å; L314-L345 HydrophobicContact CD1-CD2 4.2Å; L314-L345 HydrophobicContact CD1-CG 4.46Å; L314-L348 HydrophobicContact CD1-CD1 3.91Å; L314-V372 HydrophobicContact CD1-CG2 4.14Å; L314-V372 HydrophobicContact CD2-CG1 4.18Å; L314-V372 HydrophobicContact CD2-CG2 4.05Å |
| 315 | M | 95 | Very high | 96.2 | Very high | 4 Ų | 4 | 18.6 Ų | 18.6 | 2% | 0.02 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -72.4 | -40.8 | -177.2 | -74.9 | -59 | -54.3 | 0 | 0 | 113.1 | E311 Q312 E313 L317 S318 H319 H328 F329 M331 I336 I344 | E311-M315 WeakPolarHBondContact O-CG 3.4Å; E311-M315 PolarHBondContact O-N 2.92Å; E311-M315 VanDerWaalsContact O-N 3.17Å; Q312-M315 PolarHBondContact O-N 3.25Å; E313-M315 VanDerWaalsContact C-N 3.28Å; E313-M315 PolarHBondContact O-N 3.42Å; M315-L317 VanDerWaalsContact C-N 3.34Å; M315-S318 PolarHBondContact O-N 3.3Å; M315-H319 WeakPolarHBondContact O-CB 3.32Å; M315-H319 PolarHBondContact O-N 3.13Å; M315-H328 HydrophobicContact CE-CB 3.88Å; M315-F329 HydrophobicContact CB-CD2 4.1Å; M315-M331 HydrophobicContact CB-CG 4.15Å; M315-M331 HydrophobicContact CB-SD 4.44Å; M315-M331 HydrophobicContact CE-CG 4.46Å; M315-M331 HydrophobicContact CG-CE 4.28Å; M315-M331 HydrophobicContact CG-CG 3.65Å; M315-M331 HydrophobicContact CG-SD 3.5Å; M315-M331 VanDerWaalsContact CG-SD 3.5Å; M315-I336 HydrophobicContact CG-CD1 4.1Å; M315-I336 HydrophobicContact SD-CD1 3.54Å; M315-I336 VanDerWaalsContact SD-CD1 3.54Å; M315-I336 HydrophobicContact SD-CG1 4.33Å; M315-I344 HydrophobicContact SD-CD1 3.66Å |
| 316 | I | 94.9 | Very high | 96.1 | Very high | 4 Ų | 4 | 19.3 Ų | 19.3 | 2% | 0.021 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -66.5 | -37.6 | 175.9 | -166.5 | 171.9 | 0 | 0 | 0 | 111.3 | M287 V293 Q312 E313 S318 H319 V320 F329 | M287-I316 WeakPolarHBondContact O-CD1 3.43Å; V293-I316 HydrophobicContact CG2-CD1 3.97Å; V293-I316 HydrophobicContact CG2-CG1 4.4Å; Q312-I316 PolarHBondContact O-N 3.01Å; Q312-I316 VanDerWaalsContact O-N 3.09Å; E313-I316 VanDerWaalsContact O-CG2 3.31Å; E313-I316 WeakPolarHBondContact O-CG2 3.35Å; E313-I316 PolarHBondContact O-N 3.41Å; I316-S318 VanDerWaalsContact C-N 3.33Å; I316-S318 PolarHBondContact O-N 3.03Å; I316-H319 PolarHBondContact O-N 3.01Å; I316-V320 HydrophobicContact CG1-CG2 3.94Å; I316-V320 WeakPolarHBondContact O-CB 3.47Å; I316-V320 VanDerWaalsContact O-CG2 3.29Å; I316-V320 WeakPolarHBondContact O-CG2 3.2Å; I316-V320 PolarHBondContact O-N 3.34Å; I316-F329 HydrophobicContact CB-CD2 4.29Å; I316-F329 HydrophobicContact CB-CE2 3.74Å; I316-F329 HydrophobicContact CB-CZ 4.1Å; I316-F329 HydrophobicContact CD1-CZ 4.1Å; I316-F329 HydrophobicContact CG1-CE2 4.14Å; I316-F329 HydrophobicContact CG1-CZ 3.98Å |
| 317 | L | 97.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60 | -44.4 | 173.7 | -71.4 | -178.4 | 0 | 0 | 0 | 111.4 | L284 M287 V293 F296 M297 L307 L309 E313 M315 G321 W347 | L284-L317 HydrophobicContact CD2-CD1 3.91Å; L284-L317 HydrophobicContact CD2-CD2 4.38Å; L284-L317 HydrophobicContact CD2-CG 4.31Å; M287-L317 HydrophobicContact CE-CD2 4.45Å; V293-L317 HydrophobicContact CG1-CD2 3.99Å; F296-L317 HydrophobicContact CD1-CD2 4.27Å; F296-L317 HydrophobicContact CE1-CD2 4.09Å; M297-L317 HydrophobicContact CE-CB 4.14Å; M297-L317 HydrophobicContact CE-CD2 4.14Å; M297-L317 WeakPolarHBondContact CE-O 3.49Å; M297-L317 HydrophobicContact CG-CD2 3.6Å; M297-L317 HydrophobicContact SD-CD2 3.83Å; L307-L317 HydrophobicContact CD2-CD1 4.5Å; L309-L317 HydrophobicContact CD2-CD1 3.63Å; E313-L317 WeakPolarHBondContact O-CB 3.49Å; E313-L317 WeakPolarHBondContact O-CG 3.3Å; E313-L317 PolarHBondContact O-N 3.42Å; M315-L317 VanDerWaalsContact C-N 3.34Å; L317-G321 PolarHBondContact O-N 3.23Å; L317-W347 WeakPolarHBondContact O-CH2 3.39Å |
| 318 | S | 97.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.1 | -46.4 | 176.1 | -164.6 | 0 | 0 | 0 | 0 | 111.9 | L314 M315 I316 V320 G321 G322 G323 P324 | L314-S318 PolarHBondContact O-N 2.84Å; L314-S318 VanDerWaalsContact O-N 3.12Å; M315-S318 PolarHBondContact O-N 3.3Å; I316-S318 VanDerWaalsContact C-N 3.33Å; I316-S318 PolarHBondContact O-N 3.03Å; S318-V320 PolarHBondContact O-N 3.15Å; S318-G321 PolarHBondContact O-N 3.09Å; S318-G322 PolarHBondContact O-N 3.28Å; S318-G323 PolarHBondContact O-N 3.35Å; S318-G323 WeakPolarHBondContact OG-CA 3.41Å; S318-P324 PolarHBondContact OG-O 3.36Å |
| 319 | H | 96.9 | Very high | 95 | Very high | 72 Ų | 72 | 31.9 Ų | 31.9 | 33% | 0.333 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -57 | -52.8 | 178.8 | 179.4 | 70.4 | 0 | 0 | 0 | 112.4 | M315 I316 G322 A326 F329 | M315-H319 WeakPolarHBondContact O-CB 3.32Å; M315-H319 PolarHBondContact O-N 3.13Å; I316-H319 PolarHBondContact O-N 3.01Å; H319-G322 PolarHBondContact O-N 3.42Å; H319-A326 PolarHBondContact ND1-O 2.67Å; H319-F329 HydrophobicContact CB-CB 3.58Å; H319-F329 HydrophobicContact CB-CD1 4.07Å; H319-F329 HydrophobicContact CB-CG 3.81Å; H319-F329 AromaticContact CD2-CD1 3.62Å; H319-F329 AromaticContact CG-CD1 3.66Å; H319-F329 AromaticContact CG-CG 3.87Å |
| 320 | V | 97.2 | Very high | 94.3 | Very high | 22 Ų | 22 | 36.6 Ų | 36.6 | 13% | 0.133 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -72.2 | -33.5 | -175.6 | 176.8 | 0 | 0 | 0 | 0 | 112 | V290 V293 K294 M297 I316 S318 G322 | V290-V320 HydrophobicContact CB-CG2 4.28Å; V290-V320 HydrophobicContact CG1-CG1 4.28Å; V290-V320 HydrophobicContact CG1-CG2 3.93Å; V290-V320 HydrophobicContact CG2-CG2 4.14Å; V293-V320 HydrophobicContact CB-CB 4.43Å; V293-V320 HydrophobicContact CB-CG1 4.16Å; V293-V320 HydrophobicContact CB-CG2 4.16Å; V293-V320 HydrophobicContact CG1-CB 3.86Å; V293-V320 HydrophobicContact CG1-CG1 3.93Å; V293-V320 HydrophobicContact CG1-CG2 3.91Å; K294-V320 HydrophobicContact CB-CG1 3.63Å; K294-V320 HydrophobicContact CG-CG1 4.33Å; M297-V320 HydrophobicContact SD-CB 4.34Å; M297-V320 HydrophobicContact SD-CG1 4.33Å; I316-V320 HydrophobicContact CG1-CG2 3.94Å; I316-V320 WeakPolarHBondContact O-CB 3.47Å; I316-V320 VanDerWaalsContact O-CG2 3.29Å; I316-V320 WeakPolarHBondContact O-CG2 3.2Å; I316-V320 PolarHBondContact O-N 3.34Å; S318-V320 PolarHBondContact O-N 3.15Å; V320-G322 VanDerWaalsContact C-N 3.33Å |
| 321 | G | 96.4 | Very high | 93.5 | Very high | 29 Ų | 29 | 37.1 Ų | 37.1 | 30% | 0.299 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -81.3 | -7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115 | L317 S318 G323 | L317-G321 PolarHBondContact O-N 3.23Å; S318-G321 PolarHBondContact O-N 3.09Å; G321-G323 VanDerWaalsContact C-N 3.31Å |
| 322 | G | 96.8 | Very high | 92.6 | Very high | 61 Ų | 61 | 47.3 Ų | 47.3 | 63% | 0.629 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.1 | 33.1 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | S318 H319 V320 | S318-G322 PolarHBondContact O-N 3.28Å; H319-G322 PolarHBondContact O-N 3.42Å; V320-G322 VanDerWaalsContact C-N 3.33Å |
| 323 | G | 97.1 | Very high | 91.9 | Very high | 11 Ų | 11 | 48.2 Ų | 48.2 | 11% | 0.113 | 28% | 0.275 | C | S | . | . | trans | -80.4 | -174 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114 | S318 G321 Y325 A326 W347 | S318-G323 PolarHBondContact O-N 3.35Å; S318-G323 WeakPolarHBondContact OG-CA 3.41Å; G321-G323 VanDerWaalsContact C-N 3.31Å; G323-Y325 PolarHBondContact O-N 3.25Å; G323-A326 VanDerWaalsContact O-CB 3.32Å; G323-A326 WeakPolarHBondContact O-CB 3.34Å; G323-A326 PolarHBondContact O-N 2.85Å; G323-W347 VanDerWaalsContact CA-CE2 3.47Å | ||
| 324 | P | 97.2 | Very high | 91.1 | Very high | 37 Ų | 37 | 51.1 Ų | 51.1 | 24% | 0.24 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 134.4 | 177.9 | -24.6 | 34.9 | 0 | 0 | 0 | 112.3 | S318 A326 E343 I344 W347 | S318-P324 PolarHBondContact OG-O 3.36Å; P324-A326 PolarHBondContact O-N 3.18Å; P324-E343 HydrophobicContact CB-CB 3.97Å; P324-E343 HydrophobicContact CG-CB 4.24Å; P324-I344 HydrophobicContact CB-CG1 4.27Å; P324-I344 WeakPolarHBondContact O-CG1 3.34Å; P324-W347 VanDerWaalsContact CD-CG 3.41Å; P324-W347 HydrophobicContact CG-CB 3.78Å; P324-W347 HydrophobicContact CG-CG 4.15Å |
| 325 | Y | 95.7 | Very high | 90.6 | Very high | 54 Ų | 54 | 53.4 Ų | 53.4 | 21% | 0.212 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61.1 | 26.1 | 179.5 | -49.2 | -73.5 | 0 | 0 | 0 | 114.4 | G323 D327 H328 K340 E343 | G323-Y325 PolarHBondContact O-N 3.25Å; Y325-D327 PolarHBondContact O-N 3.49Å; Y325-H328 AromaticContact CD1-CE1 3.52Å; Y325-H328 AromaticContact CD1-ND1 3.56Å; Y325-H328 AromaticContact CG-ND1 3.91Å; Y325-H328 WeakPolarHBondContact O-CB 3.26Å; Y325-H328 PolarHBondContact O-N 3.25Å; Y325-K340 HydrophobicContact CD1-CD 4.36Å; Y325-K340 HydrophobicContact CD1-CG 4.43Å; Y325-K340 HydrophobicContact CD2-CB 3.86Å; Y325-K340 HydrophobicContact CD2-CD 4.48Å; Y325-K340 HydrophobicContact CD2-CG 4.01Å; Y325-K340 HydrophobicContact CE1-CG 4.22Å; Y325-K340 HydrophobicContact CE2-CB 3.85Å; Y325-K340 HydrophobicContact CE2-CG 3.81Å; Y325-K340 HydrophobicContact CG-CB 4.49Å; Y325-K340 HydrophobicContact CG-CD 4.33Å; Y325-K340 HydrophobicContact CG-CG 4.32Å; Y325-E343 HydrophobicContact CE2-CB 3.96Å; Y325-E343 HydrophobicContact CE2-CG 4Å |
| 326 | A | 94.5 | Very high | 90.5 | Very high | 20 Ų | 20 | 53.6 Ų | 53.6 | 17% | 0.165 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -55.2 | -29.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | H319 G323 P324 H328 | H319-A326 PolarHBondContact ND1-O 2.67Å; G323-A326 VanDerWaalsContact O-CB 3.32Å; G323-A326 WeakPolarHBondContact O-CB 3.34Å; G323-A326 PolarHBondContact O-N 2.85Å; P324-A326 PolarHBondContact O-N 3.18Å; A326-H328 VanDerWaalsContact C-N 3.27Å; A326-H328 PolarHBondContact O-N 3.23Å |
| 327 | D | 94.2 | Very high | 90.5 | Very high | 129 Ų | 129 | 58.4 Ų | 58.4 | 69% | 0.69 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -74.4 | -12.3 | 177.6 | 64.2 | -45.8 | 0 | 0 | 0 | 114 | Y325 F329 | Y325-D327 PolarHBondContact O-N 3.49Å; D327-F329 VanDerWaalsContact C-N 3.29Å |
| 328 | H | 91.5 | Very high | 90.4 | Very high | 76 Ų | 76 | 59 Ų | 59 | 35% | 0.352 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -86.9 | 5.6 | 176.5 | -66.2 | 163.6 | 0 | 0 | 0 | 113.8 | M315 Y325 A326 P330 M331 K340 | M315-H328 HydrophobicContact CE-CB 3.88Å; Y325-H328 AromaticContact CD1-CE1 3.52Å; Y325-H328 AromaticContact CD1-ND1 3.56Å; Y325-H328 AromaticContact CG-ND1 3.91Å; Y325-H328 WeakPolarHBondContact O-CB 3.26Å; Y325-H328 PolarHBondContact O-N 3.25Å; A326-H328 VanDerWaalsContact C-N 3.27Å; A326-H328 PolarHBondContact O-N 3.23Å; H328-P330 CarbonylContact O-C 3.3Å; H328-P330 VanDerWaalsContact O-C 3.29Å; H328-P330 VanDerWaalsContact O-O 3.06Å; H328-M331 WeakPolarHBondContact O-CA 3.34Å; H328-M331 PolarHBondContact O-N 2.73Å; H328-K340 PolarHBondContact CE1-NZ 3.21Å; H328-K340 PolarHBondContact ND1-NZ 3.4Å |
| 329 | F | 87.8 | Confident | 90.4 | Very high | 60 Ų | 60 | 60.5 Ų | 60.5 | 26% | 0.263 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -95.8 | 138.7 | 172.7 | -177.1 | -90.4 | 0 | 0 | 0 | 111.2 | M315 I316 H319 D327 | M315-F329 HydrophobicContact CB-CD2 4.1Å; I316-F329 HydrophobicContact CB-CD2 4.29Å; I316-F329 HydrophobicContact CB-CE2 3.74Å; I316-F329 HydrophobicContact CB-CZ 4.1Å; I316-F329 HydrophobicContact CD1-CZ 4.1Å; I316-F329 HydrophobicContact CG1-CE2 4.14Å; I316-F329 HydrophobicContact CG1-CZ 3.98Å; H319-F329 HydrophobicContact CB-CB 3.58Å; H319-F329 HydrophobicContact CB-CD1 4.07Å; H319-F329 HydrophobicContact CB-CG 3.81Å; H319-F329 AromaticContact CD2-CD1 3.62Å; H319-F329 AromaticContact CG-CD1 3.66Å; H319-F329 AromaticContact CG-CG 3.87Å; D327-F329 VanDerWaalsContact C-N 3.29Å |
| 330 | P | 82.2 | Confident | 90.4 | Very high | 99 Ų | 99 | 59.2 Ų | 59.2 | 64% | 0.643 | 33% | 0.331 | S | S | * | . | S | Bend | cis | -67.8 | 151.4 | -7.2 | 30.2 | -35.3 | 0 | 0 | 0 | 111.3 | H328 K332 | H328-P330 CarbonylContact O-C 3.3Å; H328-P330 VanDerWaalsContact O-C 3.29Å; H328-P330 VanDerWaalsContact O-O 3.06Å; P330-K332 PolarHBondContact O-N 2.93Å |
| 331 | M | 77.8 | Confident | 90.4 | Very high | 31 Ų | 31 | 58.2 Ų | 58.2 | 15% | 0.153 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 130.6 | -179.3 | -67.1 | -161.7 | -73.1 | 0 | 0 | 110.8 | E311 Q312 M315 H328 S333 I336 | E311-M331 HydrophobicContact CB-CE 4.28Å; E311-M331 HydrophobicContact CG-CE 4.16Å; Q312-M331 HydrophobicContact CG-CE 4.27Å; M315-M331 HydrophobicContact CB-CG 4.15Å; M315-M331 HydrophobicContact CB-SD 4.44Å; M315-M331 HydrophobicContact CE-CG 4.46Å; M315-M331 HydrophobicContact CG-CE 4.28Å; M315-M331 HydrophobicContact CG-CG 3.65Å; M315-M331 HydrophobicContact CG-SD 3.5Å; M315-M331 VanDerWaalsContact CG-SD 3.5Å; H328-M331 WeakPolarHBondContact O-CA 3.34Å; H328-M331 PolarHBondContact O-N 2.73Å; M331-S333 VanDerWaalsContact C-N 3.28Å; M331-S333 WeakPolarHBondContact CB-O 3.4Å; M331-I336 HydrophobicContact SD-CB 4.04Å |
| 332 | K | 74.2 | Confident | 90.5 | Very high | 223 Ų | 223 | 56.8 Ų | 56.8 | 97% | 0.97 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -71.9 | -25 | 172.8 | -64.2 | -175.9 | -179.2 | -179.5 | 0 | 112.8 | P330 | P330-K332 PolarHBondContact O-N 2.93Š|
| 333 | S | 75.2 | Confident | 90.6 | Very high | 66 Ų | 66 | 55 Ų | 55 | 46% | 0.462 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -110.5 | 154.8 | 177.6 | -178.6 | 0 | 0 | 0 | 0 | 109.2 | M331 T335 | M331-S333 VanDerWaalsContact C-N 3.28Å; M331-S333 WeakPolarHBondContact CB-O 3.4Å; S333-T335 PolarHBondContact O-N 3.48Å; S333-T335 PolarHBondContact OG-N 3.14Å; S333-T335 PolarHBondContact OG-OG1 2.94Å |
| 334 | I | 76.4 | Confident | 90.6 | Very high | 76 Ų | 76 | 54.5 Ų | 54.5 | 39% | 0.39 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -64.6 | -24.7 | 171.4 | -54.4 | 172.9 | 0 | 0 | 0 | 110.3 | L111 L375 | L111-I334 HydrophobicContact CD2-CG1 4.16Å; L111-I334 HydrophobicContact CD2-CG2 4.5Å; I334-L375 HydrophobicContact CG2-CD1 3.54Å |
| 335 | T | 86.7 | Confident | 90.7 | Very high | 48 Ų | 48 | 52.7 Ų | 52.7 | 29% | 0.294 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -113.4 | 138.5 | -174.1 | 61.6 | 0 | 0 | 0 | 0 | 114.6 | E311 S333 L375 T376 | E311-T335 VanDerWaalsContact OE2-C 3.3Å; E311-T335 WeakPolarHBondContact OE2-CA 3.41Å; S333-T335 PolarHBondContact O-N 3.48Å; S333-T335 PolarHBondContact OG-N 3.14Å; S333-T335 PolarHBondContact OG-OG1 2.94Å; T335-L375 HydrophobicContact CG2-CB 4.39Å; T335-L375 HydrophobicContact CG2-CD1 4.48Å; T335-T376 HydrophobicContact CG2-CG2 4.06Å |
| 336 | I | 92.7 | Very high | 90.8 | Very high | 7 Ų | 7 | 51.1 Ų | 51.1 | 4% | 0.036 | 26% | 0.264 | C | S | . | . | trans | -85.3 | 145.2 | 165.5 | -165.6 | 176.7 | 0 | 0 | 0 | 112.3 | E311 L314 M315 M331 K340 A341 I344 F377 | E311-I336 HydrophobicContact CB-CB 4.3Å; E311-I336 HydrophobicContact CB-CG2 3.65Å; E311-I336 PolarHBondContact OE2-N 3.11Å; L314-I336 HydrophobicContact CD2-CD1 3.97Å; M315-I336 HydrophobicContact CG-CD1 4.1Å; M315-I336 HydrophobicContact SD-CD1 3.54Å; M315-I336 VanDerWaalsContact SD-CD1 3.54Å; M315-I336 HydrophobicContact SD-CG1 4.33Å; M331-I336 HydrophobicContact SD-CB 4.04Å; I336-K340 HydrophobicContact CD1-CB 4.09Å; I336-K340 HydrophobicContact CG1-CB 4.02Å; I336-A341 HydrophobicContact CD1-CB 4.23Å; I336-I344 HydrophobicContact CD1-CD1 4.08Å; I336-F377 HydrophobicContact CG2-CE1 4.14Å; I336-F377 HydrophobicContact CG2-CZ 3.97Å; I336-F377 WeakPolarHBondContact O-CE1 3.42Å | ||
| 337 | H | 94.3 | Very high | 90.9 | Very high | 105 Ų | 105 | 51.2 Ų | 51.2 | 49% | 0.486 | 26% | 0.26 | S | S | . | . | trans | -75.8 | 141 | 171.1 | -68.7 | -57.4 | 0 | 0 | 0 | 112.1 | H339 K340 A341 | H337-H339 PolarHBondContact O-N 3.41Å; H337-K340 HydrophobicContact CB-CD 4.45Å; H337-K340 HydrophobicContact CB-CG 4.28Å; H337-K340 WeakPolarHBondContact O-CB 3.3Å; H337-K340 PolarHBondContact O-N 3.01Å; H337-A341 PolarHBondContact O-N 3.3Å | ||
| 338 | P | 96.9 | Very high | 91.1 | Very high | 12 Ų | 12 | 45 Ų | 45 | 8% | 0.078 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -52.6 | -47.3 | -177.9 | -30.4 | 35.8 | 0 | 0 | 0 | 114.7 | K340 A341 T342 F377 M379 V428 Y456 | P338-K340 PolarHBondContact O-N 2.91Å; P338-A341 WeakPolarHBondContact O-CB 3.41Å; P338-A341 PolarHBondContact O-N 3.2Å; P338-T342 PolarHBondContact O-N 3.38Å; P338-T342 PolarHBondContact O-OG1 3.14Å; P338-F377 HydrophobicContact CB-CE1 4.38Å; P338-F377 HydrophobicContact CB-CZ 4.39Å; P338-F377 HydrophobicContact CG-CD1 3.82Å; P338-F377 HydrophobicContact CG-CE1 3.84Å; P338-F377 HydrophobicContact CG-CG 4.33Å; P338-F377 HydrophobicContact CG-CZ 4.34Å; P338-M379 HydrophobicContact CB-CE 4.2Å; P338-V428 HydrophobicContact CB-CB 4.47Å; P338-V428 HydrophobicContact CB-CG1 4Å; P338-Y456 HydrophobicContact CB-CD2 4.43Å; P338-Y456 HydrophobicContact CB-CE2 3.88Å; P338-Y456 HydrophobicContact CG-CE2 3.87Å |
| 339 | H | 97.1 | Very high | 91.3 | Very high | 33 Ų | 33 | 41.4 Ų | 41.4 | 15% | 0.153 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.8 | -27.7 | 178.4 | 69.2 | -87.8 | 0 | 0 | 0 | 114.2 | H337 E343 M427 V428 K430 | H337-H339 PolarHBondContact O-N 3.41Å; H339-E343 WeakPolarHBondContact O-CG 3.48Å; H339-E343 PolarHBondContact O-N 2.86Å; H339-M427 HydrophobicContact CB-CB 4.49Å; H339-M427 HydrophobicContact CB-CG 4.13Å; H339-M427 PolarHBondContact N-O 2.84Å; H339-V428 VanDerWaalsContact CA-O 3.27Å; H339-V428 WeakPolarHBondContact CA-O 3.36Å; H339-K430 HydrophobicContact CB-CB 4.26Å |
| 340 | K | 96.9 | Very high | 91.6 | Very high | 45 Ų | 45 | 41.1 Ų | 41.1 | 20% | 0.196 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -72.7 | -42.2 | 174.3 | -62.3 | -175 | 179.3 | 177.9 | 0 | 110.4 | Y325 H328 I336 H337 P338 T342 E343 I344 | Y325-K340 HydrophobicContact CD1-CD 4.36Å; Y325-K340 HydrophobicContact CD1-CG 4.43Å; Y325-K340 HydrophobicContact CD2-CB 3.86Å; Y325-K340 HydrophobicContact CD2-CD 4.48Å; Y325-K340 HydrophobicContact CD2-CG 4.01Å; Y325-K340 HydrophobicContact CE1-CG 4.22Å; Y325-K340 HydrophobicContact CE2-CB 3.85Å; Y325-K340 HydrophobicContact CE2-CG 3.81Å; Y325-K340 HydrophobicContact CG-CB 4.49Å; Y325-K340 HydrophobicContact CG-CD 4.33Å; Y325-K340 HydrophobicContact CG-CG 4.32Å; H328-K340 PolarHBondContact CE1-NZ 3.21Å; H328-K340 PolarHBondContact ND1-NZ 3.4Å; I336-K340 HydrophobicContact CD1-CB 4.09Å; I336-K340 HydrophobicContact CG1-CB 4.02Å; H337-K340 HydrophobicContact CB-CD 4.45Å; H337-K340 HydrophobicContact CB-CG 4.28Å; H337-K340 WeakPolarHBondContact O-CB 3.3Å; H337-K340 PolarHBondContact O-N 3.01Å; P338-K340 PolarHBondContact O-N 2.91Å; K340-T342 VanDerWaalsContact C-N 3.3Å; K340-T342 PolarHBondContact O-N 3.35Å; K340-E343 PolarHBondContact O-N 3.33Å; K340-I344 WeakPolarHBondContact O-CG1 3.42Å; K340-I344 PolarHBondContact O-N 3.35Å; K340-I344 VanDerWaalsContact O-N 3.16Å |
| 341 | A | 97.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.1 | -42.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | L314 I336 H337 P338 E343 I344 L345 F377 | L314-A341 HydrophobicContact CD2-CB 3.79Å; I336-A341 HydrophobicContact CD1-CB 4.23Å; H337-A341 PolarHBondContact O-N 3.3Å; P338-A341 WeakPolarHBondContact O-CB 3.41Å; P338-A341 PolarHBondContact O-N 3.2Å; A341-E343 PolarHBondContact O-N 3.06Å; A341-I344 PolarHBondContact O-N 3.3Å; A341-L345 WeakPolarHBondContact O-CB 3.45Å; A341-L345 WeakPolarHBondContact O-CG 3.38Å; A341-L345 PolarHBondContact O-N 3.12Å; A341-F377 HydrophobicContact CB-CE2 4.16Å; A341-F377 HydrophobicContact CB-CZ 3.87Å |
| 342 | T | 98.3 | Very high | 93 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -57.6 | -44.8 | 176 | -61.7 | 0 | 0 | 0 | 0 | 113.2 | P338 K340 L345 N346 M379 V428 D429 W447 F454 | P338-T342 PolarHBondContact O-N 3.38Å; P338-T342 PolarHBondContact O-OG1 3.14Å; K340-T342 VanDerWaalsContact C-N 3.3Å; K340-T342 PolarHBondContact O-N 3.35Å; T342-L345 PolarHBondContact O-N 3Å; T342-N346 WeakPolarHBondContact O-CB 3.3Å; T342-N346 PolarHBondContact O-N 2.78Å; T342-M379 VanDerWaalsContact OG1-CE 3.24Å; T342-M379 WeakPolarHBondContact OG1-CE 3.35Å; T342-M379 PolarHBondContact OG1-SD 2.99Å; T342-V428 WeakPolarHBondContact CB-O 3.25Å; T342-V428 PolarHBondContact OG1-O 3.28Å; T342-D429 HydrophobicContact CG2-CB 4.22Å; T342-W447 HydrophobicContact CG2-CZ2 3.95Å; T342-F454 HydrophobicContact CG2-CD1 4Å; T342-F454 HydrophobicContact CG2-CE1 3.82Å; T342-F454 HydrophobicContact CG2-CE2 4.44Å; T342-F454 HydrophobicContact CG2-CG 4.38Å; T342-F454 HydrophobicContact CG2-CZ 4.07Å |
| 343 | E | 97.9 | Very high | 93.9 | Very high | 23 Ų | 23 | 30.4 Ų | 30.4 | 11% | 0.107 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.5 | -41.4 | 178.2 | -59.8 | -57.6 | 162.6 | 0 | 0 | 111.9 | P324 Y325 H339 K340 A341 N346 W347 T431 R449 | P324-E343 HydrophobicContact CB-CB 3.97Å; P324-E343 HydrophobicContact CG-CB 4.24Å; Y325-E343 HydrophobicContact CE2-CB 3.96Å; Y325-E343 HydrophobicContact CE2-CG 4Å; H339-E343 WeakPolarHBondContact O-CG 3.48Å; H339-E343 PolarHBondContact O-N 2.86Å; K340-E343 PolarHBondContact O-N 3.33Å; A341-E343 PolarHBondContact O-N 3.06Å; E343-N346 PolarHBondContact O-N 2.55Å; E343-W347 WeakPolarHBondContact O-CB 3.36Å; E343-W347 PolarHBondContact O-N 3.02Å; E343-T431 PolarHBondContact OE1-N 2.97Å; E343-T431 PolarHBondContact OE1-OG1 3.14Å; E343-R449 IonicContact OE1-NH1 3.71Å; E343-R449 IonicContact OE1-NH2 3.7Å; E343-R449 IonicContact OE2-CZ 3.39Å; E343-R449 IonicContact OE2-NH1 2.77Å; E343-R449 PolarHBondContact OE2-NH1 3.41Å; E343-R449 IonicContact OE2-NH2 3.02Å; E343-R449 PolarHBondContact OE2-NH2 3.33Å |
| 344 | I | 98.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -66.6 | -42.4 | 178.1 | -59.1 | 167.5 | 0 | 0 | 0 | 110.6 | L314 M315 P324 I336 K340 A341 W347 L348 | L314-I344 HydrophobicContact CD1-CB 4.08Å; L314-I344 HydrophobicContact CD1-CG2 3.47Å; L314-I344 VanDerWaalsContact CD1-CG2 3.47Å; L314-I344 HydrophobicContact CD2-CD1 4.37Å; L314-I344 HydrophobicContact CG-CB 4.24Å; L314-I344 HydrophobicContact CG-CD1 4.18Å; L314-I344 HydrophobicContact CG-CG2 3.85Å; M315-I344 HydrophobicContact SD-CD1 3.66Å; P324-I344 HydrophobicContact CB-CG1 4.27Å; P324-I344 WeakPolarHBondContact O-CG1 3.34Å; I336-I344 HydrophobicContact CD1-CD1 4.08Å; K340-I344 WeakPolarHBondContact O-CG1 3.42Å; K340-I344 PolarHBondContact O-N 3.35Å; K340-I344 VanDerWaalsContact O-N 3.16Å; A341-I344 PolarHBondContact O-N 3.3Å; I344-W347 HydrophobicContact CG2-CE3 4.05Å; I344-W347 HydrophobicContact CG2-CZ3 4.34Å; I344-W347 WeakPolarHBondContact O-CB 3.47Å; I344-W347 PolarHBondContact O-N 3Å; I344-L348 HydrophobicContact CG2-CD1 4.28Å; I344-L348 HydrophobicContact CG2-CG 4.37Å; I344-L348 WeakPolarHBondContact O-CG 3.45Å; I344-L348 PolarHBondContact O-N 3Å |
| 345 | L | 98.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.7 | -42.9 | 178.1 | -73 | 169.2 | 0 | 0 | 0 | 112.2 | L314 A341 T342 W347 L348 L349 V370 V372 M379 A381 F454 | L314-L345 HydrophobicContact CD1-CD2 4.2Å; L314-L345 HydrophobicContact CD1-CG 4.46Å; A341-L345 WeakPolarHBondContact O-CB 3.45Å; A341-L345 WeakPolarHBondContact O-CG 3.38Å; A341-L345 PolarHBondContact O-N 3.12Å; T342-L345 PolarHBondContact O-N 3Å; L345-W347 VanDerWaalsContact C-N 3.34Å; L345-L348 PolarHBondContact O-N 2.97Å; L345-L349 PolarHBondContact O-N 3.18Å; L345-L349 VanDerWaalsContact O-N 3.11Å; L345-V370 HydrophobicContact CD2-CB 3.57Å; L345-V370 HydrophobicContact CD2-CG1 3.27Å; L345-V370 HydrophobicContact CD2-CG2 4.48Å; L345-V372 HydrophobicContact CD1-CG2 3.9Å; L345-V372 HydrophobicContact CD2-CG2 3.47Å; L345-V372 VanDerWaalsContact CD2-CG2 3.47Å; L345-V372 HydrophobicContact CG-CG2 4.02Å; L345-M379 HydrophobicContact CD1-CB 4.25Å; L345-M379 HydrophobicContact CD1-CG 3.88Å; L345-M379 HydrophobicContact CD1-SD 3.56Å; L345-M379 VanDerWaalsContact CD1-SD 3.56Å; L345-A381 HydrophobicContact CB-CB 3.91Å; L345-A381 HydrophobicContact CD1-CB 4.27Å; L345-A381 HydrophobicContact CG-CB 4.47Å; L345-F454 HydrophobicContact CB-CE1 3.95Å |
| 346 | N | 97.6 | Very high | 93.8 | Very high | 20 Ų | 20 | 27.2 Ų | 27.2 | 11% | 0.107 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58.8 | -49.1 | 173.3 | -166.7 | 57.7 | 0 | 0 | 0 | 110.6 | T342 E343 L348 L349 L350 F454 | T342-N346 WeakPolarHBondContact O-CB 3.3Å; T342-N346 PolarHBondContact O-N 2.78Å; E343-N346 PolarHBondContact O-N 2.55Å; N346-L348 PolarHBondContact O-N 3.19Å; N346-L349 PolarHBondContact O-N 3.36Å; N346-L350 WeakPolarHBondContact ND2-CD1 3.38Å; N346-L350 WeakPolarHBondContact O-CB 3.2Å; N346-L350 VanDerWaalsContact O-CG 3.26Å; N346-L350 WeakPolarHBondContact O-CG 3.15Å; N346-L350 PolarHBondContact O-N 2.89Å; N346-F454 HydrophobicContact CB-CZ 3.88Å |
| 347 | W | 97.1 | Very high | 92.3 | Very high | 22 Ų | 22 | 32.5 Ų | 32.5 | 8% | 0.083 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -57.9 | -46.7 | 177.5 | 166 | 85.3 | 0 | 0 | 0 | 112.3 | M297 L317 G323 P324 E343 I344 L345 L349 L350 H351 Y352 | M297-W347 HydrophobicContact CE-CH2 3.67Å; M297-W347 HydrophobicContact CE-CZ3 4.32Å; L317-W347 WeakPolarHBondContact O-CH2 3.39Å; G323-W347 VanDerWaalsContact CA-CE2 3.47Å; P324-W347 VanDerWaalsContact CD-CG 3.41Å; P324-W347 HydrophobicContact CG-CB 3.78Å; P324-W347 HydrophobicContact CG-CG 4.15Å; E343-W347 WeakPolarHBondContact O-CB 3.36Å; E343-W347 PolarHBondContact O-N 3.02Å; I344-W347 HydrophobicContact CG2-CE3 4.05Å; I344-W347 HydrophobicContact CG2-CZ3 4.34Å; I344-W347 WeakPolarHBondContact O-CB 3.47Å; I344-W347 PolarHBondContact O-N 3Å; L345-W347 VanDerWaalsContact C-N 3.34Å; W347-L349 PolarHBondContact O-N 3.01Å; W347-L350 PolarHBondContact O-N 3.38Å; W347-H351 AromaticContact CD1-CD2 3.92Å; W347-H351 AromaticContact CD1-CE1 3.12Å; W347-H351 AromaticContact CD1-CG 3.63Å; W347-H351 AromaticContact CD1-ND1 3.1Å; W347-H351 AromaticContact CD1-NE2 3.61Å; W347-H351 AromaticContact CG-ND1 3.73Å; W347-H351 AromaticContact NE1-CD2 3.56Å; W347-H351 AromaticContact NE1-CE1 3.59Å; W347-H351 AromaticContact NE1-CG 3.48Å; W347-H351 AromaticContact NE1-ND1 3.48Å; W347-H351 PolarHBondContact NE1-ND1 2.95Å; W347-H351 AromaticContact NE1-NE2 3.62Å; W347-H351 WeakPolarHBondContact O-CB 3.02Å; W347-H351 PolarHBondContact O-N 2.77Å; W347-H351 PolarHBondContact O-ND1 3.33Å; W347-Y352 AromaticContact CH2-CE2 3.79Å; W347-Y352 HydrophobicContact CH2-CE2 3.79Å; W347-Y352 AromaticContact CZ2-CE2 3.85Å; W347-Y352 HydrophobicContact CZ2-CE2 3.85Å; W347-Y352 HydrophobicContact CZ3-CE2 4.33Å |
| 348 | L | 97.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.3 | -49 | 178.8 | -78.3 | 174 | 0 | 0 | 0 | 111.8 | L301 L314 I344 L345 N346 L350 Y352 | L301-L348 HydrophobicContact CD2-CD2 4.18Å; L314-L348 HydrophobicContact CD1-CD1 3.91Å; I344-L348 HydrophobicContact CG2-CD1 4.28Å; I344-L348 HydrophobicContact CG2-CG 4.37Å; I344-L348 WeakPolarHBondContact O-CG 3.45Å; I344-L348 PolarHBondContact O-N 3Å; L345-L348 PolarHBondContact O-N 2.97Å; N346-L348 PolarHBondContact O-N 3.19Å; L348-L350 VanDerWaalsContact C-N 3.33Å; L348-L350 PolarHBondContact O-N 3.38Å; L348-Y352 HydrophobicContact CD2-CD2 3.81Å; L348-Y352 HydrophobicContact CD2-CE2 4.05Å; L348-Y352 WeakPolarHBondContact O-CA 2.87Å; L348-Y352 WeakPolarHBondContact O-CB 3.32Å; L348-Y352 PolarHBondContact O-N 3.05Å |
| 349 | L | 96.5 | Very high | 88.7 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -68 | -30.6 | -179.2 | -72 | 172.9 | 0 | 0 | 0 | 113.1 | L345 N346 W347 G353 L367 V370 A381 R383 V452 | L345-L349 PolarHBondContact O-N 3.18Å; L345-L349 VanDerWaalsContact O-N 3.11Å; N346-L349 PolarHBondContact O-N 3.36Å; W347-L349 PolarHBondContact O-N 3.01Å; L349-G353 VanDerWaalsContact O-CA 3.23Å; L349-G353 WeakPolarHBondContact O-CA 3.36Å; L349-G353 PolarHBondContact O-N 2.9Å; L349-L367 HydrophobicContact CD2-CG 4.27Å; L349-V370 HydrophobicContact CD2-CG2 3.94Å; L349-V370 HydrophobicContact CG-CG2 4.19Å; L349-A381 HydrophobicContact CD1-CB 3.61Å; L349-R383 HydrophobicContact CD1-CB 4.38Å; L349-V452 HydrophobicContact CD1-CG1 3.67Å |
| 350 | L | 94 | Very high | 87.3 | Confident | 53 Ų | 53 | 37 Ų | 37 | 28% | 0.277 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -80.3 | -37.7 | 177.5 | -67.4 | 178.2 | 0 | 0 | 0 | 112.6 | N346 W347 L348 | N346-L350 WeakPolarHBondContact ND2-CD1 3.38Å; N346-L350 WeakPolarHBondContact O-CB 3.2Å; N346-L350 VanDerWaalsContact O-CG 3.26Å; N346-L350 WeakPolarHBondContact O-CG 3.15Å; N346-L350 PolarHBondContact O-N 2.89Å; W347-L350 PolarHBondContact O-N 3.38Å; L348-L350 VanDerWaalsContact C-N 3.33Å; L348-L350 PolarHBondContact O-N 3.38Å |
| 351 | H | 93.7 | Very high | 86.2 | Confident | 99 Ų | 99 | 43.4 Ų | 43.4 | 46% | 0.458 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -88.4 | -36.7 | -174.5 | -69.5 | 68.2 | 0 | 0 | 0 | 113 | W347 Q362 | W347-H351 AromaticContact CD1-CD2 3.92Å; W347-H351 AromaticContact CD1-CE1 3.12Å; W347-H351 AromaticContact CD1-CG 3.63Å; W347-H351 AromaticContact CD1-ND1 3.1Å; W347-H351 AromaticContact CD1-NE2 3.61Å; W347-H351 AromaticContact CG-ND1 3.73Å; W347-H351 AromaticContact NE1-CD2 3.56Å; W347-H351 AromaticContact NE1-CE1 3.59Å; W347-H351 AromaticContact NE1-CG 3.48Å; W347-H351 AromaticContact NE1-ND1 3.48Å; W347-H351 PolarHBondContact NE1-ND1 2.95Å; W347-H351 AromaticContact NE1-NE2 3.62Å; W347-H351 WeakPolarHBondContact O-CB 3.02Å; W347-H351 PolarHBondContact O-N 2.77Å; W347-H351 PolarHBondContact O-ND1 3.33Å; H351-Q362 PolarHBondContact O-NE2 3.1Å |
| 352 | Y | 95.3 | Very high | 85.2 | Confident | 30 Ų | 30 | 46.2 Ų | 46.2 | 12% | 0.118 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -110.6 | -2.8 | -177.1 | -58.1 | -74.7 | 0 | 0 | 0 | 113.3 | M297 L301 P302 W347 L348 Y365 | M297-Y352 HydrophobicContact CB-CE1 4.19Å; M297-Y352 HydrophobicContact CE-CE1 4.47Å; M297-Y352 HydrophobicContact CE-CE2 3.54Å; M297-Y352 VanDerWaalsContact CE-CZ 3.47Å; M297-Y352 WeakPolarHBondContact CE-OH 3.32Å; M297-Y352 WeakPolarHBondContact O-CD1 2.89Å; M297-Y352 VanDerWaalsContact O-CE1 3.25Å; M297-Y352 WeakPolarHBondContact O-CE1 3.16Å; L301-Y352 HydrophobicContact CD2-CD1 4.26Å; L301-Y352 HydrophobicContact CD2-CD2 3.95Å; L301-Y352 HydrophobicContact CD2-CE2 4.32Å; L301-Y352 HydrophobicContact CD2-CG 3.91Å; L301-Y352 HydrophobicContact CG-CG 4.37Å; P302-Y352 WeakPolarHBondContact CA-O 3.46Å; P302-Y352 HydrophobicContact CG-CD1 4.05Å; W347-Y352 AromaticContact CH2-CE2 3.79Å; W347-Y352 HydrophobicContact CH2-CE2 3.79Å; W347-Y352 AromaticContact CZ2-CE2 3.85Å; W347-Y352 HydrophobicContact CZ2-CE2 3.85Å; W347-Y352 HydrophobicContact CZ3-CE2 4.33Å; L348-Y352 HydrophobicContact CD2-CD2 3.81Å; L348-Y352 HydrophobicContact CD2-CE2 4.05Å; L348-Y352 WeakPolarHBondContact O-CA 2.87Å; L348-Y352 WeakPolarHBondContact O-CB 3.32Å; L348-Y352 PolarHBondContact O-N 3.05Å; Y352-Y365 WeakPolarHBondContact O-CD2 3.4Å |
| 353 | G | 94.2 | Very high | 84.3 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -88.8 | 177.6 | 168.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L349 G355 Y365 L367 | L349-G353 VanDerWaalsContact O-CA 3.23Å; L349-G353 WeakPolarHBondContact O-CA 3.36Å; L349-G353 PolarHBondContact O-N 2.9Å; G353-G355 PolarHBondContact O-N 3.01Å; G353-Y365 WeakPolarHBondContact O-CD2 3.24Å; G353-L367 WeakPolarHBondContact CA-O 3.37Å |
| 354 | P | 90.6 | Very high | 83.7 | Confident | 19 Ų | 19 | 57.8 Ų | 57.8 | 12% | 0.123 | 31% | 0.311 | C | S | . | . | trans | -57.6 | 133.1 | 178.1 | -21.3 | 31.8 | 0 | 0 | 0 | 112.5 | Y365 L367 R368 R383 | P354-Y365 WeakPolarHBondContact CG-O 3.39Å; P354-L367 WeakPolarHBondContact CD-O 3.35Å; P354-R368 HydrophobicContact CG-CG 4.35Å; P354-R383 PolarHBondContact O-NH1 3.05Å; P354-R383 VanDerWaalsContact O-NH1 3.12Å | ||
| 355 | G | 81.4 | Confident | 83.5 | Confident | 23 Ų | 23 | 59.9 Ų | 59.9 | 24% | 0.237 | 32% | 0.32 | C | S | . | . | trans | -89.4 | 156.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | G353 | G353-G355 PolarHBondContact O-N 3.01Š| ||
| 356 | G | 62.6 | Low | 83.4 | Confident | 81 Ų | 81 | 60.5 Ų | 60.5 | 84% | 0.835 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -75.3 | -27.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | S358 | G356-S358 PolarHBondContact O-N 3.07Š|
| 357 | D | 63.1 | Low | 83.3 | Confident | 118 Ų | 118 | 59.6 Ų | 59.6 | 63% | 0.631 | 32% | 0.317 | S | S | * | . | trans | -79.4 | 118.8 | -174.9 | -74.7 | -17.3 | 0 | 0 | 0 | 111.9 | T359 S360 | D357-T359 PolarHBondContact O-N 3.18Å; D357-T359 VanDerWaalsContact O-N 3.14Å; D357-S360 WeakPolarHBondContact O-CB 3.4Å; D357-S360 PolarHBondContact O-N 3.25Å; D357-S360 PolarHBondContact O-OG 3.07Å | ||
| 358 | S | 56.5 | Low | 83.3 | Confident | 80 Ų | 80 | 61 Ų | 61 | 56% | 0.559 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -23 | 180 | 64.2 | 0 | 0 | 0 | 0 | 113.3 | G356 R363 | G356-S358 PolarHBondContact O-N 3.07Å; S358-R363 PolarHBondContact O-NE 2.79Å; S358-R363 PolarHBondContact O-NH2 3.21Å |
| 359 | T | 57.2 | Low | 83.3 | Confident | 133 Ų | 133 | 61.1 Ų | 61.1 | 82% | 0.816 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -10.3 | 178.9 | 54.8 | 0 | 0 | 0 | 0 | 113.5 | D357 | D357-T359 PolarHBondContact O-N 3.18Å; D357-T359 VanDerWaalsContact O-N 3.14Å |
| 360 | S | 69.1 | Low | 83.4 | Confident | 31 Ų | 31 | 61.1 Ų | 61.1 | 22% | 0.217 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -83.7 | 148.9 | -175 | 75 | 0 | 0 | 0 | 0 | 112.6 | D357 Q362 R363 | D357-S360 WeakPolarHBondContact O-CB 3.4Å; D357-S360 PolarHBondContact O-N 3.25Å; D357-S360 PolarHBondContact O-OG 3.07Å; S360-Q362 PolarHBondContact O-N 3.39Å; S360-Q362 WeakPolarHBondContact OG-CB 3.38Å; S360-Q362 PolarHBondContact OG-N 2.75Å; S360-R363 PolarHBondContact O-N 3.31Å |
| 361 | K | 73.7 | Confident | 83.6 | Confident | 179 Ų | 179 | 58.6 Ų | 58.6 | 78% | 0.778 | 31% | 0.31 | S | S | * | . | G | 310 helix | trans | -57.4 | -18.9 | 168.6 | -71.5 | 180 | -180 | 172.5 | 0 | 112.5 | R363 Y364 | K361-R363 PolarHBondContact O-N 3.05Å; K361-Y364 PolarHBondContact O-N 3.48Å |
| 362 | Q | 77.4 | Confident | 83.9 | Confident | 59 Ų | 59 | 53.9 Ų | 53.9 | 28% | 0.276 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -69 | -10.4 | -179.7 | -57.8 | 179.4 | -40.4 | 0 | 0 | 113.3 | H351 S360 Y364 Y365 | H351-Q362 PolarHBondContact O-NE2 3.1Å; S360-Q362 PolarHBondContact O-N 3.39Å; S360-Q362 WeakPolarHBondContact OG-CB 3.38Å; S360-Q362 PolarHBondContact OG-N 2.75Å; Q362-Y364 PolarHBondContact O-N 3.08Å; Q362-Y364 VanDerWaalsContact O-N 3.16Å; Q362-Y365 HydrophobicContact CB-CD2 3.94Å; Q362-Y365 HydrophobicContact CB-CE2 4.3Å; Q362-Y365 HydrophobicContact CB-CG 4.29Å; Q362-Y365 HydrophobicContact CG-CD2 3.85Å; Q362-Y365 HydrophobicContact CG-CE2 3.76Å; Q362-Y365 WeakPolarHBondContact O-CB 3.22Å; Q362-Y365 PolarHBondContact O-N 3.36Å |
| 363 | R | 78.4 | Confident | 83.9 | Confident | 143 Ų | 143 | 53.8 Ų | 53.8 | 54% | 0.54 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -55 | -30.7 | 170 | -173.1 | -165.4 | -69.6 | -159.9 | -3.9 | 112.8 | S358 S360 K361 | S358-R363 PolarHBondContact O-NE 2.79Å; S358-R363 PolarHBondContact O-NH2 3.21Å; S360-R363 PolarHBondContact O-N 3.31Å; K361-R363 PolarHBondContact O-N 3.05Å |
| 364 | Y | 85.9 | Confident | 83.9 | Confident | 123 Ų | 123 | 54.2 Ų | 54.2 | 48% | 0.482 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -89.3 | -5.1 | 179.9 | -60.3 | -78.8 | 0 | 0 | 0 | 113.4 | K361 Q362 | K361-Y364 PolarHBondContact O-N 3.48Å; Q362-Y364 PolarHBondContact O-N 3.08Å; Q362-Y364 VanDerWaalsContact O-N 3.16Å |
| 365 | Y | 93.8 | Very high | 83.8 | Confident | 45 Ų | 45 | 57.2 Ų | 57.2 | 18% | 0.176 | 31% | 0.306 | C | S | . | . | trans | -72.7 | 154.2 | 179.5 | -67 | 2.3 | 0 | 0 | 0 | 109.8 | P302 F303 Y352 G353 P354 Q362 | P302-Y365 HydrophobicContact CB-CD1 3.34Å; P302-Y365 HydrophobicContact CB-CD2 3.74Å; P302-Y365 HydrophobicContact CB-CE1 3.39Å; P302-Y365 HydrophobicContact CB-CE2 3.77Å; P302-Y365 HydrophobicContact CB-CG 3.52Å; P302-Y365 HydrophobicContact CG-CD1 4.42Å; P302-Y365 HydrophobicContact CG-CE1 4.01Å; P302-Y365 HydrophobicContact CG-CE2 4.27Å; P302-Y365 CarbonylContact O-C 3.54Å; P302-Y365 WeakPolarHBondContact O-CA 3.44Å; F303-Y365 HydrophobicContact CE1-CD1 4.3Å; F303-Y365 HydrophobicContact CE1-CE1 4.41Å; F303-Y365 HydrophobicContact CZ-CD1 4.37Å; F303-Y365 HydrophobicContact CZ-CE1 4.05Å; Y352-Y365 WeakPolarHBondContact O-CD2 3.4Å; G353-Y365 WeakPolarHBondContact O-CD2 3.24Å; P354-Y365 WeakPolarHBondContact CG-O 3.39Å; Q362-Y365 HydrophobicContact CB-CD2 3.94Å; Q362-Y365 HydrophobicContact CB-CE2 4.3Å; Q362-Y365 HydrophobicContact CB-CG 4.29Å; Q362-Y365 HydrophobicContact CG-CD2 3.85Å; Q362-Y365 HydrophobicContact CG-CE2 3.76Å; Q362-Y365 WeakPolarHBondContact O-CB 3.22Å; Q362-Y365 PolarHBondContact O-N 3.36Å | ||
| 366 | R | 94.8 | Very high | 84.2 | Confident | 13 Ų | 13 | 57.6 Ų | 57.6 | 5% | 0.049 | 30% | 0.304 | C | S | . | . | trans | -133.7 | -19.3 | -168.9 | -69.2 | -179.3 | 70.7 | 160.1 | -1.8 | 112.6 | A274 K275 T278 P302 V304 D305 R368 | A274-R366 PolarHBondContact O-NH1 2.85Å; K275-R366 PolarHBondContact O-NH2 3.31Å; T278-R366 PolarHBondContact O-NH2 3.5Å; T278-R366 VanDerWaalsContact O-NH2 3.08Å; P302-R366 PolarHBondContact O-N 2.76Å; V304-R366 CarbonylContact O-C 3.51Å; V304-R366 WeakPolarHBondContact O-CB 3.22Å; D305-R366 WeakPolarHBondContact CA-O 3.42Å; D305-R366 WeakPolarHBondContact OD1-CB 3.31Å; D305-R366 IonicContact OD1-CZ 3.93Å; D305-R366 IonicContact OD1-NE 3.16Å; D305-R366 PolarHBondContact OD1-NE 3.15Å; D305-R366 IonicContact OD1-NH2 3.05Å; D305-R366 PolarHBondContact OD1-NH2 3.31Å; D305-R366 IonicContact OD2-CZ 3.82Å; D305-R366 VanDerWaalsContact OD2-CZ 3.27Å; D305-R366 IonicContact OD2-NE 3.89Å; D305-R366 PolarHBondContact OD2-NE 3.18Å; D305-R366 IonicContact OD2-NH2 3.55Å; D305-R366 PolarHBondContact OD2-NH2 2.93Å; R366-R368 WeakPolarHBondContact O-CG 3.47Å; R366-R368 PolarHBondContact O-N 2.82Å | ||
| 367 | L | 97.2 | Very high | 85.9 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 26% | 0.264 | C | S | . | . | trans | -62.8 | 111.4 | -172.6 | -174.5 | 66.6 | 0 | 0 | 0 | 110.9 | L301 V304 L307 L349 G353 P354 V370 | L301-L367 HydrophobicContact CD1-CD2 3.97Å; L301-L367 HydrophobicContact CG-CD2 4.27Å; V304-L367 HydrophobicContact CG2-CD1 4.24Å; V304-L367 WeakPolarHBondContact O-CA 3.35Å; V304-L367 PolarHBondContact O-N 3.18Å; L307-L367 HydrophobicContact CB-CD1 3.88Å; L349-L367 HydrophobicContact CD2-CG 4.27Å; G353-L367 WeakPolarHBondContact CA-O 3.37Å; P354-L367 WeakPolarHBondContact CD-O 3.35Å; L367-V370 HydrophobicContact CD1-CG2 4.2Å; L367-V370 HydrophobicContact CD2-CG2 4.25Å; L367-V370 HydrophobicContact CG-CG2 4.34Å | ||
| 368 | R | 96.5 | Very high | 87.5 | Confident | 52 Ų | 52 | 48.4 Ų | 48.4 | 20% | 0.196 | 24% | 0.235 | C | C | . | . | trans | -130.1 | -9 | -178.2 | -75.4 | -173.8 | 179.1 | -71.6 | -1.1 | 113.5 | D305 P354 R366 S382 R383 D386 | D305-R368 PolarHBondContact O-N 3.04Å; D305-R368 VanDerWaalsContact O-N 3.1Å; P354-R368 HydrophobicContact CG-CG 4.35Å; R366-R368 WeakPolarHBondContact O-CG 3.47Å; R366-R368 PolarHBondContact O-N 2.82Å; R368-S382 CarbonylContact O-C 3.57Å; R368-S382 WeakPolarHBondContact O-CA 3.47Å; R368-R383 WeakPolarHBondContact CD-O 3.09Å; R368-R383 WeakPolarHBondContact CG-O 3.33Å; R368-R383 PolarHBondContact NH1-O 2.84Å; R368-R383 VanDerWaalsContact NH1-O 3.11Å; R368-R383 PolarHBondContact O-N 2.9Å; R368-D386 VanDerWaalsContact CD-OD2 3.27Å; R368-D386 WeakPolarHBondContact CD-OD2 3.29Å; R368-D386 IonicContact NE-OD2 3.16Å; R368-D386 PolarHBondContact NE-OD2 3.43Å | ||
| 369 | R | 98.1 | Very high | 89.5 | Confident | 3 Ų | 3 | 44.6 Ų | 44.6 | 1% | 0.011 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 130.7 | 178.2 | 178.4 | -176.9 | 175.6 | -67.4 | -3.9 | 109.9 | D305 S306 L307 L380 A381 W387 S393 S483 | D305-R369 PolarHBondContact O-N 3.24Å; S306-R369 CarbonylContact C-O 3.54Å; S306-R369 VanDerWaalsContact CA-O 3.27Å; S306-R369 WeakPolarHBondContact CA-O 3.5Å; S306-R369 PolarHBondContact OG-NH1 2.97Å; L307-R369 PolarHBondContact N-O 2.77Å; R369-L380 HydrophobicContact CG-CD1 4Å; R369-L380 VanDerWaalsContact CZ-CD1 3.42Å; R369-L380 VanDerWaalsContact NH2-CD1 3.34Å; R369-A381 CarbonylContact C-O 3.03Å; R369-A381 WeakPolarHBondContact CA-O 3.43Å; R369-W387 HydrophobicContact CB-CB 4.47Å; R369-W387 HydrophobicContact CB-CD2 3.98Å; R369-W387 HydrophobicContact CB-CG 3.79Å; R369-W387 VanDerWaalsContact CD-CD2 3.44Å; R369-W387 VanDerWaalsContact CD-CE3 3.44Å; R369-W387 HydrophobicContact CG-CD2 4.33Å; R369-W387 HydrophobicContact CG-CG 4.35Å; R369-S393 PolarHBondContact NH2-OG 3.33Å; R369-S393 VanDerWaalsContact NH2-OG 3.08Å; R369-S483 PolarHBondContact NE-OG 2.95Å; R369-S483 PolarHBondContact NH2-OG 2.81Å |
| 370 | V | 98.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 128 | 170.1 | -171.4 | 0 | 0 | 0 | 0 | 108.9 | L307 L309 L345 L349 L367 V372 L380 A381 | L307-V370 HydrophobicContact CB-CG1 4.29Å; L307-V370 HydrophobicContact CB-CG2 4.32Å; L307-V370 HydrophobicContact CD2-CG1 4.02Å; L307-V370 HydrophobicContact CD2-CG2 4.36Å; L307-V370 HydrophobicContact CG-CG1 4.29Å; L307-V370 CarbonylContact O-C 3.53Å; L307-V370 WeakPolarHBondContact O-CA 3.2Å; L309-V370 HydrophobicContact CD2-CG1 4.42Å; L345-V370 HydrophobicContact CD2-CB 3.57Å; L345-V370 HydrophobicContact CD2-CG1 3.27Å; L345-V370 HydrophobicContact CD2-CG2 4.48Å; L349-V370 HydrophobicContact CD2-CG2 3.94Å; L349-V370 HydrophobicContact CG-CG2 4.19Å; L367-V370 HydrophobicContact CD1-CG2 4.2Å; L367-V370 HydrophobicContact CD2-CG2 4.25Å; L367-V370 HydrophobicContact CG-CG2 4.34Å; V370-V372 HydrophobicContact CG1-CG2 4.49Å; V370-L380 WeakPolarHBondContact O-CA 3.25Å; V370-A381 PolarHBondContact N-O 2.79Å; V370-A381 PolarHBondContact O-N 3.21Å |
| 371 | H | 98.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 120.8 | 175.8 | 178.7 | -147 | 0 | 0 | 0 | 109.1 | L307 T308 L309 H378 M379 L380 L394 | L307-H371 PolarHBondContact O-N 2.79Å; T308-H371 WeakPolarHBondContact CA-O 3.31Å; T308-H371 HydrophobicContact CG2-CB 4.49Å; L309-H371 PolarHBondContact N-O 3.15Å; H371-H378 AromaticContact NE2-CG 4Å; H371-H378 AromaticContact NE2-ND1 3.87Å; H371-M379 WeakPolarHBondContact CA-O 3.39Å; H371-L380 HydrophobicContact CB-CD1 3.98Å; H371-L394 WeakPolarHBondContact NE2-CD2 3.49Å |
| 372 | V | 98.1 | Very high | 94 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 124.3 | 175.1 | 179.9 | 0 | 0 | 0 | 0 | 108.4 | L309 L314 L345 V370 H378 M379 | L309-V372 HydrophobicContact CD1-CG2 3.89Å; L309-V372 WeakPolarHBondContact O-CA 3.34Å; L314-V372 HydrophobicContact CD1-CG2 4.14Å; L314-V372 HydrophobicContact CD2-CG1 4.18Å; L314-V372 HydrophobicContact CD2-CG2 4.05Å; L345-V372 HydrophobicContact CD1-CG2 3.9Å; L345-V372 HydrophobicContact CD2-CG2 3.47Å; L345-V372 VanDerWaalsContact CD2-CG2 3.47Å; L345-V372 HydrophobicContact CG-CG2 4.02Å; V370-V372 HydrophobicContact CG1-CG2 4.49Å; V372-H378 VanDerWaalsContact O-CA 3.3Å; V372-H378 WeakPolarHBondContact O-CA 3.3Å; V372-M379 PolarHBondContact N-O 3.44Å; V372-M379 PolarHBondContact O-N 2.89Å |
| 373 | H | 95.8 | Very high | 94.9 | Very high | 28 Ų | 28 | 28 Ų | 28 | 13% | 0.13 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 119.8 | 166.2 | 60.4 | 85.1 | 0 | 0 | 0 | 109.9 | L309 S310 H378 V475 | L309-H373 PolarHBondContact O-CD2 3.25Å; L309-H373 PolarHBondContact O-N 2.94Å; L309-H373 VanDerWaalsContact O-N 3.11Å; S310-H373 WeakPolarHBondContact CA-O 3.4Å; S310-H373 VanDerWaalsContact CB-CE1 3.42Å; S310-H373 WeakPolarHBondContact CB-CE1 3.38Å; H373-H378 VanDerWaalsContact CA-CD2 3.46Å; H373-H378 WeakPolarHBondContact CA-CD2 3.3Å; H373-H378 WeakPolarHBondContact CB-NE2 3.42Å; H373-V475 HydrophobicContact CB-CG1 4.21Å |
| 374 | S | 93.8 | Very high | 95.5 | Very high | 8 Ų | 8 | 22.6 Ų | 22.6 | 6% | 0.056 | 11% | 0.109 | C | C | . | . | trans | -117 | 160.3 | 174.1 | 170.2 | 0 | 0 | 0 | 0 | 109.4 | E311 T376 F377 | E311-S374 VanDerWaalsContact OE1-CA 3.24Å; E311-S374 WeakPolarHBondContact OE1-CA 3.49Å; E311-S374 WeakPolarHBondContact OE1-CB 3.25Å; E311-S374 PolarHBondContact OE1-OG 3.31Å; S374-T376 PolarHBondContact O-N 2.95Å; S374-T376 VanDerWaalsContact O-N 3.1Å; S374-F377 CarbonylContact C-O 3.6Å; S374-F377 WeakPolarHBondContact CA-O 3.21Å; S374-F377 VanDerWaalsContact CB-O 3.27Å; S374-F377 WeakPolarHBondContact CB-O 3.31Å; S374-F377 PolarHBondContact N-O 3.06Å; S374-F377 VanDerWaalsContact O-O 3.14Å | ||
| 375 | L | 88.6 | Confident | 95.8 | Very high | 82 Ų | 82 | 22 Ų | 22 | 43% | 0.429 | 12% | 0.121 | S | C | . | . | S | Bend | trans | -58 | -20.8 | 175.1 | -68.5 | 170 | 0 | 0 | 0 | 113.9 | E311 I334 T335 V459 L461 | E311-L375 PolarHBondContact OE1-N 3.33Å; I334-L375 HydrophobicContact CG2-CD1 3.54Å; T335-L375 HydrophobicContact CG2-CB 4.39Å; T335-L375 HydrophobicContact CG2-CD1 4.48Å; L375-V459 VanDerWaalsContact O-CG2 3.32Å; L375-V459 WeakPolarHBondContact O-CG2 3.38Å; L375-L461 HydrophobicContact CD2-CD2 4.38Å; L375-L461 VanDerWaalsContact O-CD2 3.25Å; L375-L461 WeakPolarHBondContact O-CD2 3.19Å |
| 376 | T | 91.6 | Very high | 95.8 | Very high | 32 Ų | 32 | 20.7 Ų | 20.7 | 20% | 0.196 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -117.2 | -16.4 | -176.2 | 57 | 0 | 0 | 0 | 0 | 114.1 | T335 S374 R421 V459 | T335-T376 HydrophobicContact CG2-CG2 4.06Å; S374-T376 PolarHBondContact O-N 2.95Å; S374-T376 VanDerWaalsContact O-N 3.1Å; T376-R421 HydrophobicContact CG2-CB 4.42Å; T376-V459 PolarHBondContact O-N 2.82Å |
| 377 | F | 96.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.4 | 158.8 | 179 | 68.6 | -85.7 | 0 | 0 | 0 | 111.7 | I336 P338 A341 S374 M379 Y456 T457 | I336-F377 HydrophobicContact CG2-CE1 4.14Å; I336-F377 HydrophobicContact CG2-CZ 3.97Å; I336-F377 WeakPolarHBondContact O-CE1 3.42Å; P338-F377 HydrophobicContact CB-CE1 4.38Å; P338-F377 HydrophobicContact CB-CZ 4.39Å; P338-F377 HydrophobicContact CG-CD1 3.82Å; P338-F377 HydrophobicContact CG-CE1 3.84Å; P338-F377 HydrophobicContact CG-CG 4.33Å; P338-F377 HydrophobicContact CG-CZ 4.34Å; A341-F377 HydrophobicContact CB-CE2 4.16Å; A341-F377 HydrophobicContact CB-CZ 3.87Å; S374-F377 CarbonylContact C-O 3.6Å; S374-F377 WeakPolarHBondContact CA-O 3.21Å; S374-F377 VanDerWaalsContact CB-O 3.27Å; S374-F377 WeakPolarHBondContact CB-O 3.31Å; S374-F377 PolarHBondContact N-O 3.06Å; S374-F377 VanDerWaalsContact O-O 3.14Å; F377-M379 HydrophobicContact CD2-CB 4Å; F377-M379 HydrophobicContact CD2-CE 4.41Å; F377-M379 HydrophobicContact CE2-CB 3.87Å; F377-M379 HydrophobicContact CE2-CE 4.04Å; F377-Y456 HydrophobicContact CB-CD2 4.14Å; F377-Y456 HydrophobicContact CB-CE2 3.29Å; F377-Y456 WeakPolarHBondContact CB-OH 3.32Å; F377-Y456 HydrophobicContact CD1-CE2 4.28Å; F377-Y456 AromaticContact CD2-CD2 3.88Å; F377-Y456 HydrophobicContact CD2-CD2 3.88Å; F377-Y456 AromaticContact CD2-CE2 3.59Å; F377-Y456 HydrophobicContact CD2-CE2 3.59Å; F377-Y456 HydrophobicContact CG-CD2 4.21Å; F377-Y456 AromaticContact CG-CE2 3.46Å; F377-Y456 HydrophobicContact CG-CE2 3.46Å; F377-Y456 VanDerWaalsContact CG-CE2 3.46Å; F377-T457 CarbonylContact C-O 3.56Å; F377-T457 VanDerWaalsContact CA-O 3.32Å; F377-T457 WeakPolarHBondContact CA-O 3.27Å; F377-T457 WeakPolarHBondContact CB-O 3.5Å |
| 378 | H | 98 | Very high | 95.8 | Very high | 6 Ų | 6 | 22.9 Ų | 22.9 | 3% | 0.028 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 145.1 | 160.6 | -66.3 | 178.1 | 0 | 0 | 0 | 109.6 | H371 V372 H373 L394 T457 V459 V475 | H371-H378 AromaticContact NE2-CG 4Å; H371-H378 AromaticContact NE2-ND1 3.87Å; V372-H378 VanDerWaalsContact O-CA 3.3Å; V372-H378 WeakPolarHBondContact O-CA 3.3Å; H373-H378 VanDerWaalsContact CA-CD2 3.46Å; H373-H378 WeakPolarHBondContact CA-CD2 3.3Å; H373-H378 WeakPolarHBondContact CB-NE2 3.42Å; H378-L394 HydrophobicContact CB-CD2 3.53Å; H378-T457 HydrophobicContact CB-CG2 3.99Å; H378-T457 PolarHBondContact N-O 3.18Å; H378-T457 PolarHBondContact O-N 2.74Å; H378-V459 HydrophobicContact CB-CG1 4.36Å; H378-V459 WeakPolarHBondContact CD2-CG1 3.3Å; H378-V475 WeakPolarHBondContact CE1-CG1 3.4Å |
| 379 | M | 98.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 133.3 | 176.2 | -170.4 | 178.9 | -66.3 | 0 | 0 | 110.5 | P338 T342 L345 H371 V372 F377 W447 F454 I455 Y456 | P338-M379 HydrophobicContact CB-CE 4.2Å; T342-M379 VanDerWaalsContact OG1-CE 3.24Å; T342-M379 WeakPolarHBondContact OG1-CE 3.35Å; T342-M379 PolarHBondContact OG1-SD 2.99Å; L345-M379 HydrophobicContact CD1-CB 4.25Å; L345-M379 HydrophobicContact CD1-CG 3.88Å; L345-M379 HydrophobicContact CD1-SD 3.56Å; L345-M379 VanDerWaalsContact CD1-SD 3.56Å; H371-M379 WeakPolarHBondContact CA-O 3.39Å; V372-M379 PolarHBondContact N-O 3.44Å; V372-M379 PolarHBondContact O-N 2.89Å; F377-M379 HydrophobicContact CD2-CB 4Å; F377-M379 HydrophobicContact CD2-CE 4.41Å; F377-M379 HydrophobicContact CE2-CB 3.87Å; F377-M379 HydrophobicContact CE2-CE 4.04Å; M379-W447 HydrophobicContact CE-CH2 4.11Å; M379-F454 HydrophobicContact SD-CD1 4.21Å; M379-I455 CarbonylContact C-O 3.54Å; M379-I455 VanDerWaalsContact CA-O 3.32Å; M379-I455 WeakPolarHBondContact CA-O 3.42Å; M379-I455 WeakPolarHBondContact CG-O 3.33Å; M379-Y456 HydrophobicContact CE-CD2 3.74Å |
| 380 | L | 98.5 | Very high | 95.8 | Very high | 4 Ų | 4 | 22.8 Ų | 22.8 | 2% | 0.021 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 128.6 | 173.9 | -173 | 92.9 | 0 | 0 | 0 | 108.4 | R369 V370 H371 L394 F454 I455 | R369-L380 HydrophobicContact CG-CD1 4Å; R369-L380 VanDerWaalsContact CZ-CD1 3.42Å; R369-L380 VanDerWaalsContact NH2-CD1 3.34Å; V370-L380 WeakPolarHBondContact O-CA 3.25Å; H371-L380 HydrophobicContact CB-CD1 3.98Å; L380-L394 HydrophobicContact CB-CD1 3.68Å; L380-L394 HydrophobicContact CB-CD2 4.04Å; L380-L394 HydrophobicContact CB-CG 3.81Å; L380-F454 CarbonylContact O-C 3.57Å; L380-F454 WeakPolarHBondContact O-CA 3.29Å; L380-I455 HydrophobicContact CB-CB 4.39Å; L380-I455 HydrophobicContact CD2-CD1 4.04Å; L380-I455 PolarHBondContact N-O 3.25Å; L380-I455 PolarHBondContact O-N 3.37Å |
| 381 | A | 98.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 130.5 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | L345 L349 R369 V370 V452 L453 F454 | L345-A381 HydrophobicContact CB-CB 3.91Å; L345-A381 HydrophobicContact CD1-CB 4.27Å; L345-A381 HydrophobicContact CG-CB 4.47Å; L349-A381 HydrophobicContact CD1-CB 3.61Å; R369-A381 CarbonylContact C-O 3.03Å; R369-A381 WeakPolarHBondContact CA-O 3.43Å; V370-A381 PolarHBondContact N-O 2.79Å; V370-A381 PolarHBondContact O-N 3.21Å; A381-V452 HydrophobicContact CB-CG1 4.31Å; A381-L453 CarbonylContact C-O 3.58Å; A381-L453 VanDerWaalsContact CA-O 3.31Å; A381-L453 WeakPolarHBondContact CA-O 3.31Å; A381-F454 HydrophobicContact CB-CD1 3.81Å; A381-F454 HydrophobicContact CB-CE1 3.6Å; A381-F454 HydrophobicContact CB-CZ 4.34Å |
| 382 | S | 97.7 | Very high | 95.7 | Very high | 7 Ų | 7 | 24.7 Ų | 24.7 | 5% | 0.049 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 138.3 | 177.1 | 58.9 | 0 | 0 | 0 | 0 | 112.4 | R368 V452 L453 | R368-S382 CarbonylContact O-C 3.57Å; R368-S382 WeakPolarHBondContact O-CA 3.47Å; S382-V452 WeakPolarHBondContact O-CA 3.49Å; S382-L453 PolarHBondContact N-O 3.15Å; S382-L453 PolarHBondContact O-N 3.42Å |
| 383 | R | 95.4 | Very high | 95.6 | Very high | 41 Ų | 41 | 24.7 Ų | 24.7 | 16% | 0.155 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 121.4 | -176 | -172.2 | 179.3 | 176.6 | -163.4 | -3.3 | 112.1 | L349 P354 R368 D451 V452 | L349-R383 HydrophobicContact CD1-CB 4.38Å; P354-R383 PolarHBondContact O-NH1 3.05Å; P354-R383 VanDerWaalsContact O-NH1 3.12Å; R368-R383 WeakPolarHBondContact CD-O 3.09Å; R368-R383 WeakPolarHBondContact CG-O 3.33Å; R368-R383 PolarHBondContact NH1-O 2.84Å; R368-R383 VanDerWaalsContact NH1-O 3.11Å; R368-R383 PolarHBondContact O-N 2.9Å; R383-D451 WeakPolarHBondContact CA-O 3.34Å; R383-D451 IonicContact CZ-OD1 3.11Å; R383-D451 IonicContact CZ-OD2 2.94Å; R383-D451 VanDerWaalsContact CZ-OD2 3.28Å; R383-D451 VanDerWaalsContact NE-CG 3.27Å; R383-D451 IonicContact NE-OD1 3.66Å; R383-D451 PolarHBondContact NE-OD1 3.43Å; R383-D451 VanDerWaalsContact NE-OD1 3.16Å; R383-D451 IonicContact NE-OD2 3.3Å; R383-D451 PolarHBondContact NE-OD2 3.23Å; R383-D451 IonicContact NH2-OD1 2.72Å; R383-D451 IonicContact NH2-OD2 3.28Å; R383-D451 PolarHBondContact NH2-OD2 2.69Å; R383-V452 HydrophobicContact CB-CG2 4.21Å; R383-V452 HydrophobicContact CG-CG2 4.08Å |
| 384 | G | 91.2 | Very high | 95.7 | Very high | 31 Ų | 31 | 23.4 Ų | 23.4 | 32% | 0.32 | 15% | 0.148 | S | C | . | . | S | Bend | trans | 80.9 | -176.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | D451 | G384-D451 PolarHBondContact N-O 2.93Š|
| 385 | P | 91.8 | Very high | 95.9 | Very high | 111 Ų | 111 | 23 Ų | 23 | 72% | 0.721 | 15% | 0.145 | S | C | * | . | S | Bend | trans | -87.7 | -10.3 | -166.5 | 34.5 | -36.8 | 0 | 0 | 0 | 114.8 | W387 | P385-W387 VanDerWaalsContact C-N 3.28Å; P385-W387 PolarHBondContact O-N 3.12Å |
| 386 | D | 93.9 | Very high | 96.3 | Very high | 17 Ų | 17 | 19.2 Ų | 19.2 | 9% | 0.091 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -63.1 | -35.1 | -169.1 | -65.3 | -17.5 | 0 | 0 | 0 | 112.5 | R368 F485 F486 | R368-D386 VanDerWaalsContact CD-OD2 3.27Å; R368-D386 WeakPolarHBondContact CD-OD2 3.29Å; R368-D386 IonicContact NE-OD2 3.16Å; R368-D386 PolarHBondContact NE-OD2 3.43Å; D386-F485 HydrophobicContact CB-CD2 4.22Å; D386-F485 HydrophobicContact CB-CE2 3.8Å; D386-F485 CarbonylContact O-C 3.55Å; D386-F485 VanDerWaalsContact O-CA 3.31Å; D386-F485 WeakPolarHBondContact O-CA 3.15Å; D386-F486 WeakPolarHBondContact CA-O 3.29Å; D386-F486 PolarHBondContact O-N 3.25Å |
| 387 | W | 96.5 | Very high | 96.5 | Very high | 15 Ų | 15 | 17.7 Ų | 17.7 | 6% | 0.057 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 130.7 | 178.6 | -69.3 | 99.6 | 0 | 0 | 0 | 111 | F56 P279 D305 S306 R369 P385 L480 Q484 F485 | F56-W387 HydrophobicContact CZ-CZ3 4.37Å; P279-W387 HydrophobicContact CB-CH2 4Å; P279-W387 HydrophobicContact CB-CZ2 3.89Å; D305-W387 HydrophobicContact CB-CZ2 4.11Å; D305-W387 PolarHBondContact O-NE1 3.26Å; S306-W387 VanDerWaalsContact CB-CZ2 3.46Å; R369-W387 HydrophobicContact CB-CB 4.47Å; R369-W387 HydrophobicContact CB-CD2 3.98Å; R369-W387 HydrophobicContact CB-CG 3.79Å; R369-W387 VanDerWaalsContact CD-CD2 3.44Å; R369-W387 VanDerWaalsContact CD-CE3 3.44Å; R369-W387 HydrophobicContact CG-CD2 4.33Å; R369-W387 HydrophobicContact CG-CG 4.35Å; P385-W387 VanDerWaalsContact C-N 3.28Å; P385-W387 PolarHBondContact O-N 3.12Å; W387-L480 HydrophobicContact CH2-CD1 4.4Å; W387-L480 HydrophobicContact CZ3-CD1 4.41Å; W387-Q484 CarbonylContact C-O 3.58Å; W387-Q484 WeakPolarHBondContact CA-O 3.44Å; W387-F485 HydrophobicContact CD2-CB 4.48Å; W387-F485 AromaticContact CD2-CD2 3.77Å; W387-F485 HydrophobicContact CD2-CD2 3.77Å; W387-F485 AromaticContact CE2-CD2 3.48Å; W387-F485 VanDerWaalsContact CE2-CD2 3.48Å; W387-F485 HydrophobicContact CE3-CB 4.07Å; W387-F485 HydrophobicContact CE3-CD2 4.21Å; W387-F485 HydrophobicContact CG-CD2 4.25Å; W387-F485 HydrophobicContact CH2-CB 4.17Å; W387-F485 HydrophobicContact CH2-CD2 4.16Å; W387-F485 HydrophobicContact CH2-CG 4.47Å; W387-F485 AromaticContact CZ2-CD2 3.69Å; W387-F485 HydrophobicContact CZ2-CD2 3.69Å; W387-F485 HydrophobicContact CZ2-CE2 4.25Å; W387-F485 HydrophobicContact CZ2-CG 4.4Å; W387-F485 HydrophobicContact CZ3-CB 3.93Å; W387-F485 HydrophobicContact CZ3-CD2 4.41Å; W387-F485 AromaticContact NE1-CD2 3.81Å; W387-F485 AromaticContact NE1-CE2 3.95Å |
| 388 | S | 96.1 | Very high | 96.5 | Very high | 43 Ų | 43 | 17.7 Ų | 17.7 | 30% | 0.301 | 12% | 0.116 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 179.5 | 178.7 | 51.2 | 0 | 0 | 0 | 0 | 111.2 | G390 Q484 | S388-G390 VanDerWaalsContact C-N 3.28Å; S388-G390 PolarHBondContact O-N 2.53Å; S388-Q484 PolarHBondContact N-O 3.46Å; S388-Q484 PolarHBondContact O-N 3.22Å; S388-Q484 WeakPolarHBondContact OG-CB 3.5Å; S388-Q484 WeakPolarHBondContact OG-CG 3.33Å; S388-Q484 PolarHBondContact OG-NE2 3.36Å |
| 389 | N | 97.1 | Very high | 96.3 | Very high | 42 Ų | 42 | 17.8 Ų | 17.8 | 23% | 0.225 | 12% | 0.117 | C | C | . | . | trans | 62.6 | 28.3 | -174.8 | -151.2 | 33.5 | 0 | 0 | 0 | 114.7 | Q50 A391 A392 S393 Y482 Q484 | Q50-N389 PolarHBondContact O-ND2 3.48Å; N389-A391 VanDerWaalsContact C-N 3.33Å; N389-A391 PolarHBondContact O-N 2.87Å; N389-A392 PolarHBondContact O-N 3.22Å; N389-A392 WeakPolarHBondContact OD1-CB 3.4Å; N389-S393 PolarHBondContact O-N 2.88Å; N389-Y482 WeakPolarHBondContact CB-O 3.23Å; N389-Y482 PolarHBondContact ND2-O 3.37Å; N389-Q484 HydrophobicContact CB-CB 4.08Å | ||
| 390 | G | 96.7 | Very high | 96.1 | Very high | 11 Ų | 11 | 17.9 Ų | 17.9 | 11% | 0.113 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -63.6 | -30.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | S388 S393 L394 I455 | S388-G390 VanDerWaalsContact C-N 3.28Å; S388-G390 PolarHBondContact O-N 2.53Å; G390-S393 WeakPolarHBondContact O-CB 3.4Å; G390-S393 PolarHBondContact O-N 2.93Å; G390-L394 PolarHBondContact O-N 3.48Å; G390-I455 VanDerWaalsContact C-CD1 3.48Å |
| 391 | A | 97.2 | Very high | 95.8 | Very high | 40 Ų | 40 | 18.2 Ų | 18.2 | 33% | 0.331 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -66.9 | -46.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | N389 S393 L394 A395 I444 | N389-A391 VanDerWaalsContact C-N 3.33Å; N389-A391 PolarHBondContact O-N 2.87Å; A391-S393 VanDerWaalsContact C-N 3.32Å; A391-S393 PolarHBondContact O-N 2.89Å; A391-L394 PolarHBondContact O-N 2.69Å; A391-A395 WeakPolarHBondContact O-CB 3.29Å; A391-A395 PolarHBondContact O-N 2.88Å; A391-I444 HydrophobicContact CB-CD1 3.87Å; A391-I444 HydrophobicContact CB-CG2 4.29Å; A391-I444 VanDerWaalsContact O-CD1 3.28Å; A391-I444 WeakPolarHBondContact O-CD1 3.21Å |
| 392 | A | 97.8 | Very high | 95.5 | Very high | 1 Ų | 1 | 18.2 Ų | 18.2 | 1% | 0.008 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -63.9 | -39.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | M48 Q50 N389 A395 A396 Y482 | M48-A392 WeakPolarHBondContact O-CB 3.4Å; Q50-A392 WeakPolarHBondContact O-CB 3.49Å; N389-A392 PolarHBondContact O-N 3.22Å; N389-A392 WeakPolarHBondContact OD1-CB 3.4Å; A392-A395 PolarHBondContact O-N 3.23Å; A392-A396 VanDerWaalsContact O-CB 3.29Å; A392-A396 WeakPolarHBondContact O-CB 3.25Å; A392-A396 PolarHBondContact O-N 3.12Å; A392-Y482 HydrophobicContact CB-CD1 4.27Å |
| 393 | S | 97.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -54.8 | -51.6 | 173.5 | 177.4 | 0 | 0 | 0 | 0 | 112.1 | R369 N389 G390 A391 A396 G397 A479 S483 | R369-S393 PolarHBondContact NH2-OG 3.33Å; R369-S393 VanDerWaalsContact NH2-OG 3.08Å; N389-S393 PolarHBondContact O-N 2.88Å; G390-S393 WeakPolarHBondContact O-CB 3.4Å; G390-S393 PolarHBondContact O-N 2.93Å; A391-S393 VanDerWaalsContact C-N 3.32Å; A391-S393 PolarHBondContact O-N 2.89Å; S393-A396 PolarHBondContact O-N 2.9Å; S393-G397 PolarHBondContact O-N 3.05Å; S393-A479 VanDerWaalsContact CB-O 3.31Å; S393-A479 WeakPolarHBondContact CB-O 3.24Å; S393-A479 WeakPolarHBondContact O-CA 3.45Å; S393-A479 WeakPolarHBondContact O-CB 3.3Å; S393-A479 PolarHBondContact OG-O 2.83Å; S393-S483 WeakPolarHBondContact CB-OG 3.36Å; S393-S483 PolarHBondContact OG-OG 3.23Å |
| 394 | L | 97.4 | Very high | 95 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -66.9 | -40.9 | 178.7 | -81.4 | 177.3 | 0 | 0 | 0 | 113.3 | H371 H378 L380 G390 A391 A396 G397 A398 I455 T457 | H371-L394 WeakPolarHBondContact NE2-CD2 3.49Å; H378-L394 HydrophobicContact CB-CD2 3.53Å; L380-L394 HydrophobicContact CB-CD1 3.68Å; L380-L394 HydrophobicContact CB-CD2 4.04Å; L380-L394 HydrophobicContact CB-CG 3.81Å; G390-L394 PolarHBondContact O-N 3.48Å; A391-L394 PolarHBondContact O-N 2.69Å; L394-A396 VanDerWaalsContact C-N 3.34Å; L394-G397 PolarHBondContact O-N 2.89Å; L394-A398 WeakPolarHBondContact O-CB 3.46Å; L394-A398 PolarHBondContact O-N 2.9Å; L394-I455 HydrophobicContact CD1-CB 3.55Å; L394-I455 HydrophobicContact CD1-CG2 3.51Å; L394-I455 VanDerWaalsContact CD1-O 3.24Å; L394-I455 WeakPolarHBondContact CD1-O 3.2Å; L394-T457 HydrophobicContact CB-CG2 3.94Å; L394-T457 HydrophobicContact CD2-CG2 4.42Å |
| 395 | A | 97.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -59.8 | -45.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | W45 M48 M49 A391 A392 A398 L399 I444 | W45-A395 HydrophobicContact CB-CB 3.97Å; W45-A395 HydrophobicContact CG-CB 4.19Å; M48-A395 HydrophobicContact CB-CB 4.16Å; M49-A395 HydrophobicContact CG-CB 3.83Å; A391-A395 WeakPolarHBondContact O-CB 3.29Å; A391-A395 PolarHBondContact O-N 2.88Å; A392-A395 PolarHBondContact O-N 3.23Å; A395-A398 PolarHBondContact O-N 3.25Å; A395-L399 WeakPolarHBondContact O-CB 3.24Å; A395-L399 PolarHBondContact O-N 3.31Å; A395-I444 HydrophobicContact CB-CD1 4.25Å |
| 396 | A | 96.8 | Very high | 94.8 | Very high | 2 Ų | 2 | 13.5 Ų | 13.5 | 2% | 0.017 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -62.8 | -43.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | M49 A392 S393 L394 A400 A478 Y482 | M49-A396 HydrophobicContact CE-CB 3.79Å; M49-A396 HydrophobicContact CG-CB 4.12Å; M49-A396 HydrophobicContact SD-CB 4.23Å; A392-A396 VanDerWaalsContact O-CB 3.29Å; A392-A396 WeakPolarHBondContact O-CB 3.25Å; A392-A396 PolarHBondContact O-N 3.12Å; S393-A396 PolarHBondContact O-N 2.9Å; L394-A396 VanDerWaalsContact C-N 3.34Å; A396-A400 VanDerWaalsContact O-CB 3.28Å; A396-A400 WeakPolarHBondContact O-CB 3.48Å; A396-A400 PolarHBondContact O-N 3.38Å; A396-A478 HydrophobicContact CB-CB 4.21Å; A396-Y482 HydrophobicContact CB-CD2 3.32Å; A396-Y482 HydrophobicContact CB-CE2 3.82Å; A396-Y482 HydrophobicContact CB-CG 3.71Å |
| 397 | G | 96.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -62.1 | -46.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | S393 L394 L399 A400 A401 V475 | S393-G397 PolarHBondContact O-N 3.05Å; L394-G397 PolarHBondContact O-N 2.89Å; G397-L399 VanDerWaalsContact C-N 3.35Å; G397-L399 PolarHBondContact O-N 3.29Å; G397-A400 PolarHBondContact O-N 2.85Å; G397-A401 PolarHBondContact O-N 3.39Å; G397-V475 WeakPolarHBondContact O-CG2 3.39Å |
| 398 | A | 95.8 | Very high | 93 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -63.8 | -38.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | W45 L394 A395 A402 T457 V459 | W45-A398 HydrophobicContact CD2-CB 4.13Å; W45-A398 HydrophobicContact CE3-CB 4.3Å; W45-A398 HydrophobicContact CH2-CB 3.94Å; W45-A398 HydrophobicContact CZ2-CB 3.78Å; W45-A398 HydrophobicContact CZ3-CB 4.2Å; L394-A398 WeakPolarHBondContact O-CB 3.46Å; L394-A398 PolarHBondContact O-N 2.9Å; A395-A398 PolarHBondContact O-N 3.25Å; A398-A402 PolarHBondContact O-N 2.71Å; A398-T457 HydrophobicContact CB-CG2 4.14Å; A398-V459 HydrophobicContact CB-CG1 4.21Å |
| 399 | L | 94.3 | Very high | 91.2 | Very high | 8 Ų | 8 | 16.9 Ų | 16.9 | 4% | 0.042 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -66.5 | -46.5 | 174.4 | -178.5 | 60.8 | 0 | 0 | 0 | 111.6 | V42 W45 Q46 M49 A395 G397 A401 A402 E403 L413 | V42-L399 HydrophobicContact CG1-CD1 3.91Å; V42-L399 HydrophobicContact CG2-CD1 4.43Å; W45-L399 HydrophobicContact CE3-CB 4.49Å; Q46-L399 HydrophobicContact CG-CD2 3.91Å; M49-L399 HydrophobicContact CE-CD2 4.28Å; M49-L399 HydrophobicContact SD-CB 4.39Å; M49-L399 HydrophobicContact SD-CD2 3.65Å; A395-L399 WeakPolarHBondContact O-CB 3.24Å; A395-L399 PolarHBondContact O-N 3.31Å; G397-L399 VanDerWaalsContact C-N 3.35Å; G397-L399 PolarHBondContact O-N 3.29Å; L399-A401 VanDerWaalsContact C-N 3.27Å; L399-A401 PolarHBondContact O-N 3.03Å; L399-A402 PolarHBondContact O-N 3.23Å; L399-A402 VanDerWaalsContact O-N 3.12Å; L399-E403 HydrophobicContact CD1-CG 4.29Å; L399-E403 HydrophobicContact CG-CG 4.36Å; L399-E403 WeakPolarHBondContact O-CG 3.38Å; L399-E403 PolarHBondContact O-N 3.41Å; L399-L413 HydrophobicContact CD1-CD1 3.97Å |
| 400 | A | 93.8 | Very high | 89.3 | Confident | 2 Ų | 2 | 26.7 Ų | 26.7 | 2% | 0.017 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.1 | -35.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | A396 G397 A402 E404 A478 | A396-A400 VanDerWaalsContact O-CB 3.28Å; A396-A400 WeakPolarHBondContact O-CB 3.48Å; A396-A400 PolarHBondContact O-N 3.38Å; G397-A400 PolarHBondContact O-N 2.85Å; A400-A402 VanDerWaalsContact C-N 3.34Å; A400-A402 PolarHBondContact O-N 3.18Å; A400-E404 VanDerWaalsContact O-CB 3.32Å; A400-E404 WeakPolarHBondContact O-CB 3.12Å; A400-E404 PolarHBondContact O-N 3.39Å; A400-A478 HydrophobicContact CB-CB 3.63Å |
| 401 | A | 93.2 | Very high | 87.8 | Confident | 11 Ų | 11 | 33 Ų | 33 | 9% | 0.091 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -57.5 | -47.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | G397 L399 A405 V471 V475 | G397-A401 PolarHBondContact O-N 3.39Å; L399-A401 VanDerWaalsContact C-N 3.27Å; L399-A401 PolarHBondContact O-N 3.03Å; A401-A405 WeakPolarHBondContact O-CB 3.25Å; A401-A405 PolarHBondContact O-N 3.01Å; A401-V471 HydrophobicContact CB-CG1 4.42Å; A401-V475 HydrophobicContact CB-CG2 3.54Å |
| 402 | A | 91.1 | Very high | 86.4 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -68.6 | -44.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A398 L399 A400 C406 L413 L418 L460 | A398-A402 PolarHBondContact O-N 2.71Å; L399-A402 PolarHBondContact O-N 3.23Å; L399-A402 VanDerWaalsContact O-N 3.12Å; A400-A402 VanDerWaalsContact C-N 3.34Å; A400-A402 PolarHBondContact O-N 3.18Å; A402-C406 WeakPolarHBondContact O-CB 3.4Å; A402-C406 PolarHBondContact O-N 3.14Å; A402-C406 VanDerWaalsContact O-N 3.16Å; A402-L413 HydrophobicContact CB-CD1 3.91Å; A402-L413 HydrophobicContact CB-CD2 4.48Å; A402-L418 HydrophobicContact CB-CD2 4.05Å; A402-L460 HydrophobicContact CB-CB 4.14Å |
| 403 | E | 90.9 | Very high | 85.4 | Confident | 45 Ų | 45 | 38.2 Ų | 38.2 | 21% | 0.21 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.3 | -47.2 | 178.7 | -69.5 | 176.1 | 164.9 | 0 | 0 | 112.1 | K155 L399 G407 T408 L413 | K155-E403 IonicContact NZ-OE2 3.34Å; L399-E403 HydrophobicContact CD1-CG 4.29Å; L399-E403 HydrophobicContact CG-CG 4.36Å; L399-E403 WeakPolarHBondContact O-CG 3.38Å; L399-E403 PolarHBondContact O-N 3.41Å; E403-G407 PolarHBondContact O-N 3.15Å; E403-G407 VanDerWaalsContact O-N 3.11Å; E403-T408 PolarHBondContact O-N 3.17Å; E403-L413 HydrophobicContact CG-CD1 3.94Å; E403-L413 HydrophobicContact CG-CG 4.32Å |
| 404 | E | 91 | Very high | 84.5 | Confident | 14 Ų | 14 | 40.9 Ų | 40.9 | 7% | 0.065 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -71.6 | -44.6 | -177.1 | -166.3 | 62.7 | -146.9 | 0 | 0 | 111.2 | A400 C406 G407 K467 V471 A474 | A400-E404 VanDerWaalsContact O-CB 3.32Å; A400-E404 WeakPolarHBondContact O-CB 3.12Å; A400-E404 PolarHBondContact O-N 3.39Å; E404-C406 VanDerWaalsContact C-N 3.3Å; E404-C406 PolarHBondContact O-N 3.46Å; E404-G407 PolarHBondContact O-N 3.04Å; E404-G407 VanDerWaalsContact O-N 3.08Å; E404-K467 WeakPolarHBondContact OE1-CD 3.26Å; E404-K467 IonicContact OE1-NZ 3.89Å; E404-K467 PolarHBondContact OE1-NZ 3.24Å; E404-V471 HydrophobicContact CB-CG2 4.48Å; E404-V471 HydrophobicContact CG-CG2 4.25Å; E404-A474 HydrophobicContact CB-CB 3.9Å; E404-A474 HydrophobicContact CG-CB 3.84Å |
| 405 | A | 89.6 | Confident | 83.5 | Confident | 15 Ų | 15 | 41 Ų | 41 | 12% | 0.124 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.5 | -36.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A401 C462 P465 A466 V471 | A401-A405 WeakPolarHBondContact O-CB 3.25Å; A401-A405 PolarHBondContact O-N 3.01Å; A405-C462 HydrophobicContact CB-CB 3.86Å; A405-P465 CarbonylContact O-C 3.58Å; A405-P465 VanDerWaalsContact O-CA 3.29Å; A405-P465 WeakPolarHBondContact O-CA 3.35Å; A405-A466 PolarHBondContact O-N 3.16Å; A405-V471 HydrophobicContact CB-CG1 4.47Å; A405-V471 HydrophobicContact CB-CG2 4.21Å |
| 406 | C | 88.9 | Confident | 82.6 | Confident | 18 Ų | 18 | 48.3 Ų | 48.3 | 12% | 0.122 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -3.3 | 176 | -71 | 0 | 0 | 0 | 0 | 114.5 | A402 E404 T408 L413 C462 | A402-C406 WeakPolarHBondContact O-CB 3.4Å; A402-C406 PolarHBondContact O-N 3.14Å; A402-C406 VanDerWaalsContact O-N 3.16Å; E404-C406 VanDerWaalsContact C-N 3.3Å; E404-C406 PolarHBondContact O-N 3.46Å; C406-T408 HydrophobicContact CB-CG2 4.05Å; C406-T408 PolarHBondContact O-N 2.77Å; C406-L413 HydrophobicContact CB-CD2 4.27Å; C406-C462 WeakPolarHBondContact CA-SG 3.47Å; C406-C462 HydrophobicContact CB-CB 4.15Å; C406-C462 WeakPolarHBondContact CB-SG 3.23Å; C406-C462 VanDerWaalsContact SG-CA 3.57Å; C406-C462 WeakPolarHBondContact SG-CB 3.4Å; C406-C462 CovalentContact SG-SG 2.05Å; C406-C462 PolarHBondContact SG-SG 3.41Å |
| 407 | G | 83.2 | Confident | 82.1 | Confident | 43 Ų | 43 | 50.5 Ų | 50.5 | 44% | 0.443 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.9 | 17.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | E403 E404 V409 | E403-G407 PolarHBondContact O-N 3.15Å; E403-G407 VanDerWaalsContact O-N 3.11Å; E404-G407 PolarHBondContact O-N 3.04Å; E404-G407 VanDerWaalsContact O-N 3.08Å; G407-V409 PolarHBondContact O-N 3.15Å |
| 408 | T | 69.2 | Low | 81.8 | Confident | 23 Ų | 23 | 50.6 Ų | 50.6 | 14% | 0.141 | 27% | 0.272 | C | S | . | . | trans | -98.9 | 45 | -172.3 | 62.2 | 0 | 0 | 0 | 0 | 112.6 | E403 C406 R410 E411 L413 | E403-T408 PolarHBondContact O-N 3.17Å; C406-T408 HydrophobicContact CB-CG2 4.05Å; C406-T408 PolarHBondContact O-N 2.77Å; T408-R410 PolarHBondContact O-N 3.43Å; T408-R410 VanDerWaalsContact O-N 3.1Å; T408-E411 WeakPolarHBondContact CB-O 3.44Å; T408-E411 PolarHBondContact O-N 3.2Å; T408-L413 WeakPolarHBondContact OG1-CD2 3.35Å | ||
| 409 | V | 59.7 | Low | 81.5 | Confident | 79 Ų | 79 | 53.4 Ų | 53.4 | 48% | 0.479 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -62 | -22.8 | -179.8 | -180 | 0 | 0 | 0 | 0 | 111.7 | G407 | G407-V409 PolarHBondContact O-N 3.15Š|
| 410 | R | 56.7 | Low | 81.4 | Confident | 248 Ų | 248 | 54 Ų | 54 | 94% | 0.936 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -116.7 | -10.7 | -177.4 | -64.9 | -177.3 | 178.2 | 174.7 | 0.5 | 114.9 | T408 | T408-R410 PolarHBondContact O-N 3.43Å; T408-R410 VanDerWaalsContact O-N 3.1Å |
| 411 | E | 64.7 | Low | 81.2 | Confident | 144 Ų | 144 | 60.7 Ų | 60.7 | 67% | 0.673 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -113.7 | 144.9 | -178.4 | -68.6 | -172.3 | 176.5 | 0 | 0 | 110.1 | T408 L413 | T408-E411 WeakPolarHBondContact CB-O 3.44Å; T408-E411 PolarHBondContact O-N 3.2Å; E411-L413 PolarHBondContact O-N 2.62Å |
| 412 | P | 68.9 | Low | 81.1 | Confident | 124 Ų | 124 | 62 Ų | 62 | 81% | 0.805 | 32% | 0.318 | S | S | * | . | P | Polyproline II helix | trans | -57.7 | 131.8 | 173.6 | -20.2 | 31.2 | 0 | 0 | 0 | 110.3 | S414 | P412-S414 PolarHBondContact O-N 3.45Å; P412-S414 VanDerWaalsContact O-N 3.1Å |
| 413 | L | 76.1 | Confident | 81.1 | Confident | 27 Ų | 27 | 67.6 Ų | 67.6 | 14% | 0.141 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -54 | 118.5 | 173 | -79.3 | 169.1 | 0 | 0 | 0 | 110.3 | V42 L399 A402 E403 C406 T408 E411 L418 | V42-L413 HydrophobicContact CG2-CD1 4.11Å; L399-L413 HydrophobicContact CD1-CD1 3.97Å; A402-L413 HydrophobicContact CB-CD1 3.91Å; A402-L413 HydrophobicContact CB-CD2 4.48Å; E403-L413 HydrophobicContact CG-CD1 3.94Å; E403-L413 HydrophobicContact CG-CG 4.32Å; C406-L413 HydrophobicContact CB-CD2 4.27Å; T408-L413 WeakPolarHBondContact OG1-CD2 3.35Å; E411-L413 PolarHBondContact O-N 2.62Å; L413-L418 HydrophobicContact CB-CD1 3.96Å; L413-L418 HydrophobicContact CD1-CD1 4.27Å; L413-L418 HydrophobicContact CD2-CD1 4.28Å; L413-L418 HydrophobicContact CD2-CD2 4.12Å; L413-L418 HydrophobicContact CD2-CG 4.46Å; L413-L418 HydrophobicContact CG-CD1 4.42Å |
| 414 | S | 78.2 | Confident | 81.1 | Confident | 55 Ų | 55 | 72.7 Ų | 72.7 | 39% | 0.385 | 37% | 0.372 | S | S | . | . | P | Polyproline II helix | trans | -77.9 | 128.2 | 172.3 | -172.4 | 0 | 0 | 0 | 0 | 109.7 | P412 K416 S417 | P412-S414 PolarHBondContact O-N 3.45Å; P412-S414 VanDerWaalsContact O-N 3.1Å; S414-K416 PolarHBondContact O-N 2.78Å; S414-K416 PolarHBondContact OG-N 3.24Å; S414-S417 PolarHBondContact O-N 2.93Å |
| 415 | A | 76.3 | Confident | 81.4 | Confident | 3 Ų | 3 | 75.1 Ų | 75.1 | 3% | 0.025 | 39% | 0.387 | C | S | . | . | G | 310 helix | trans | -51 | -29.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | F36 E39 S417 L418 | F36-A415 HydrophobicContact CB-CB 3.49Å; F36-A415 VanDerWaalsContact CB-CB 3.49Å; F36-A415 HydrophobicContact CD1-CB 4.44Å; F36-A415 HydrophobicContact CD2-CB 3.55Å; F36-A415 HydrophobicContact CE2-CB 4.39Å; F36-A415 HydrophobicContact CG-CB 3.58Å; E39-A415 HydrophobicContact CG-CB 3.89Å; E39-A415 WeakPolarHBondContact OE1-CB 3.45Å; A415-S417 VanDerWaalsContact C-N 3.3Å; A415-S417 PolarHBondContact O-N 3.19Å; A415-L418 PolarHBondContact O-N 3.08Å |
| 416 | K | 80.2 | Confident | 81.7 | Confident | 154 Ų | 154 | 75.8 Ų | 75.8 | 67% | 0.67 | 39% | 0.388 | S | S | * | . | G | 310 helix | trans | -70.5 | -26.2 | -179.2 | -64.9 | -176.6 | -179.6 | 178.8 | 0 | 113.2 | S414 R463 | S414-K416 PolarHBondContact O-N 2.78Å; S414-K416 PolarHBondContact OG-N 3.24Å; K416-R463 WeakPolarHBondContact O-CD 3.46Å; K416-R463 VanDerWaalsContact O-CZ 3.22Å; K416-R463 PolarHBondContact O-NE 3.12Å; K416-R463 PolarHBondContact O-NH1 2.76Å |
| 417 | S | 85.8 | Confident | 82.1 | Confident | 48 Ų | 48 | 78 Ų | 78 | 34% | 0.336 | 40% | 0.397 | S | S | . | . | G | 310 helix | trans | -87 | -13.1 | 178.9 | -54.6 | 0 | 0 | 0 | 0 | 112.2 | S414 A415 R463 | S414-S417 PolarHBondContact O-N 2.93Å; A415-S417 VanDerWaalsContact C-N 3.3Å; A415-S417 PolarHBondContact O-N 3.19Å; S417-R463 PolarHBondContact O-N 3.4Å |
| 418 | L | 89.7 | Confident | 82.8 | Confident | 2 Ų | 2 | 75.9 Ų | 75.9 | 1% | 0.01 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 152.1 | -174.8 | -65.4 | 175.7 | 0 | 0 | 0 | 112.5 | E38 V42 A402 L413 A415 L460 L461 R463 | E38-L418 HydrophobicContact CB-CB 4.17Å; E38-L418 HydrophobicContact CB-CD1 4.39Å; E38-L418 HydrophobicContact CG-CB 4.03Å; V42-L418 HydrophobicContact CG2-CD1 4.39Å; A402-L418 HydrophobicContact CB-CD2 4.05Å; L413-L418 HydrophobicContact CB-CD1 3.96Å; L413-L418 HydrophobicContact CD1-CD1 4.27Å; L413-L418 HydrophobicContact CD2-CD1 4.28Å; L413-L418 HydrophobicContact CD2-CD2 4.12Å; L413-L418 HydrophobicContact CD2-CG 4.46Å; L413-L418 HydrophobicContact CG-CD1 4.42Å; A415-L418 PolarHBondContact O-N 3.08Å; L418-L460 HydrophobicContact CD1-CD1 3.95Å; L418-L460 HydrophobicContact CD2-CB 4.2Å; L418-L461 CarbonylContact C-O 3.55Å; L418-L461 WeakPolarHBondContact CA-O 3.36Å; L418-R463 VanDerWaalsContact O-CZ 3.28Å; L418-R463 PolarHBondContact O-NE 3.29Å; L418-R463 PolarHBondContact O-NH2 3.23Å |
| 419 | E | 90.2 | Very high | 84.2 | Confident | 58 Ų | 58 | 74.8 Ų | 74.8 | 27% | 0.271 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 131.4 | 176.2 | -170.7 | -171.4 | 161.1 | 0 | 0 | 109.9 | R421 L461 R463 | E419-R421 HydrophobicContact CG-CG 4.33Å; E419-R421 WeakPolarHBondContact OE1-CG 3.34Å; E419-R421 IonicContact OE1-CZ 3.99Å; E419-R421 IonicContact OE1-NE 3.94Å; E419-R421 PolarHBondContact OE1-NE 3.46Å; E419-R421 IonicContact OE1-NH2 3.2Å; E419-R421 PolarHBondContact OE1-NH2 3.29Å; E419-R421 IonicContact OE2-CZ 2.77Å; E419-R421 IonicContact OE2-NE 2.93Å; E419-R421 IonicContact OE2-NH2 3.31Å; E419-R421 PolarHBondContact OE2-NH2 2.83Å; E419-L461 HydrophobicContact CB-CB 4.49Å; E419-L461 PolarHBondContact N-O 2.85Å; E419-L461 PolarHBondContact O-N 3.1Å; E419-R463 HydrophobicContact CB-CG 3.9Å |
| 420 | L | 90.9 | Very high | 85.9 | Confident | 22 Ų | 22 | 76.6 Ų | 76.6 | 12% | 0.115 | 37% | 0.371 | C | S | . | . | trans | -101.2 | 119.6 | 170.7 | -178.7 | 64.7 | 0 | 0 | 0 | 110.3 | M37 L41 I422 F438 P458 V459 L460 | M37-L420 HydrophobicContact CE-CB 4.18Å; M37-L420 HydrophobicContact CE-CD2 3.57Å; M37-L420 HydrophobicContact CE-CG 4.41Å; M37-L420 HydrophobicContact CG-CD2 4.21Å; M37-L420 HydrophobicContact SD-CD2 3.89Å; L41-L420 HydrophobicContact CD2-CD1 4.02Å; L420-I422 HydrophobicContact CD1-CB 4.25Å; L420-I422 HydrophobicContact CD1-CG2 4.16Å; L420-I422 HydrophobicContact CD2-CG2 3.64Å; L420-I422 HydrophobicContact CG-CB 4.2Å; L420-I422 HydrophobicContact CG-CG2 3.72Å; L420-F438 HydrophobicContact CD2-CD2 4.47Å; L420-F438 HydrophobicContact CD2-CE1 3.97Å; L420-F438 HydrophobicContact CD2-CE2 3.67Å; L420-F438 HydrophobicContact CD2-CZ 3.37Å; L420-P458 HydrophobicContact CD1-CB 4.12Å; L420-V459 WeakPolarHBondContact CD1-O 3.31Å; L420-L460 HydrophobicContact CB-CD2 3.89Å; L420-L460 HydrophobicContact CD1-CD2 4.16Å | ||
| 421 | R | 90.4 | Very high | 87.7 | Confident | 142 Ų | 142 | 69 Ų | 69 | 54% | 0.536 | 35% | 0.352 | S | S | . | . | trans | -107.8 | 85.3 | 174.3 | -67 | -171.6 | -175.4 | 164.1 | 9.1 | 110.7 | T376 E419 L461 | T376-R421 HydrophobicContact CG2-CB 4.42Å; E419-R421 HydrophobicContact CG-CG 4.33Å; E419-R421 WeakPolarHBondContact OE1-CG 3.34Å; E419-R421 IonicContact OE1-CZ 3.99Å; E419-R421 IonicContact OE1-NE 3.94Å; E419-R421 PolarHBondContact OE1-NE 3.46Å; E419-R421 IonicContact OE1-NH2 3.2Å; E419-R421 PolarHBondContact OE1-NH2 3.29Å; E419-R421 IonicContact OE2-CZ 2.77Å; E419-R421 IonicContact OE2-NE 2.93Å; E419-R421 IonicContact OE2-NH2 3.31Å; E419-R421 PolarHBondContact OE2-NH2 2.83Å; R421-L461 HydrophobicContact CB-CD1 4.4Å; R421-L461 HydrophobicContact CG-CD1 3.99Å | ||
| 422 | I | 91.2 | Very high | 89.2 | Confident | 39 Ų | 39 | 64.8 Ų | 64.8 | 20% | 0.2 | 33% | 0.333 | C | S | . | . | trans | -140.8 | 145.1 | -179.2 | -154 | -174 | 0 | 0 | 0 | 112 | L420 Y436 F438 P458 | L420-I422 HydrophobicContact CD1-CB 4.25Å; L420-I422 HydrophobicContact CD1-CG2 4.16Å; L420-I422 HydrophobicContact CD2-CG2 3.64Å; L420-I422 HydrophobicContact CG-CB 4.2Å; L420-I422 HydrophobicContact CG-CG2 3.72Å; I422-Y436 HydrophobicContact CD1-CD1 4.15Å; I422-Y436 HydrophobicContact CD1-CE1 3.55Å; I422-F438 HydrophobicContact CD1-CB 4.1Å; I422-F438 HydrophobicContact CD1-CD2 3.57Å; I422-F438 HydrophobicContact CD1-CE2 4.42Å; I422-F438 HydrophobicContact CD1-CG 4.11Å; I422-F438 HydrophobicContact CG2-CB 4.45Å; I422-F438 HydrophobicContact CG2-CD1 4.47Å; I422-F438 HydrophobicContact CG2-CD2 4.01Å; I422-F438 HydrophobicContact CG2-CE2 4.42Å; I422-F438 HydrophobicContact CG2-CG 4.02Å; I422-P458 HydrophobicContact CD1-CB 3.64Å; I422-P458 HydrophobicContact CD1-CG 4.06Å; I422-P458 HydrophobicContact CG1-CB 4.46Å | ||
| 423 | N | 91.5 | Very high | 90.5 | Very high | 117 Ų | 117 | 66.5 Ų | 66.5 | 63% | 0.626 | 33% | 0.33 | S | S | * | . | trans | -83.5 | 140.9 | 166.6 | -66.6 | -19.3 | 0 | 0 | 0 | 110 | V425 H426 | N423-V425 VanDerWaalsContact C-N 3.26Å; N423-V425 PolarHBondContact O-N 2.99Å; N423-H426 HydrophobicContact CB-CB 4.33Å; N423-H426 PolarHBondContact O-ND1 3.34Å | ||
| 424 | E | 90.8 | Very high | 91.5 | Very high | 151 Ų | 151 | 71.2 Ų | 71.2 | 71% | 0.706 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -53.1 | -43.2 | -179.7 | -171.4 | -173.4 | 172.1 | 0 | 0 | 112.5 | R437 F438 | E424-R437 CarbonylContact O-C 3.47Å; E424-R437 WeakPolarHBondContact O-CA 3.5Å; E424-F438 PolarHBondContact O-N 3.44Å |
| 425 | V | 96.7 | Very high | 92.4 | Very high | 65 Ų | 65 | 75.1 Ų | 75.1 | 39% | 0.394 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 130.8 | 173.2 | -175.9 | 0 | 0 | 0 | 0 | 109.7 | N423 K435 Y436 R437 | N423-V425 VanDerWaalsContact C-N 3.26Å; N423-V425 PolarHBondContact O-N 2.99Å; V425-K435 HydrophobicContact CG1-CB 4.09Å; V425-K435 HydrophobicContact CG1-CD 4.27Å; V425-Y436 VanDerWaalsContact CA-O 3.29Å; V425-Y436 WeakPolarHBondContact CA-O 3.38Å; V425-R437 HydrophobicContact CG2-CB 4.18Å; V425-R437 HydrophobicContact CG2-CG 4.06Å |
| 426 | H | 96.7 | Very high | 93.4 | Very high | 29 Ų | 29 | 75.1 Ų | 75.1 | 13% | 0.134 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 161.8 | 174.8 | 60.6 | -91.1 | 0 | 0 | 0 | 111.8 | N423 K435 Y436 Y456 | N423-H426 HydrophobicContact CB-CB 4.33Å; N423-H426 PolarHBondContact O-ND1 3.34Å; H426-K435 CarbonylContact O-C 3.54Å; H426-K435 VanDerWaalsContact O-CA 3.29Å; H426-K435 WeakPolarHBondContact O-CA 3.32Å; H426-Y436 AromaticContact CE1-CD1 3.43Å; H426-Y436 VanDerWaalsContact CE1-CD1 3.43Å; H426-Y436 WeakPolarHBondContact CE1-CD1 3.22Å; H426-Y436 PolarHBondContact N-O 3.27Å; H426-Y436 AromaticContact NE2-CD1 3.95Å; H426-Y436 PolarHBondContact O-N 3.44Å; H426-Y456 PolarHBondContact CE1-OH 2.98Å; H426-Y456 AromaticContact NE2-CZ 3.53Å; H426-Y456 PolarHBondContact NE2-OH 3.22Å; H426-Y456 VanDerWaalsContact NE2-OH 3.07Å |
| 427 | M | 97.4 | Very high | 94.2 | Very high | 64 Ų | 64 | 76.5 Ų | 76.5 | 32% | 0.315 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 127.7 | -177.4 | -169.3 | 145.6 | 60.6 | 0 | 0 | 111.2 | H339 K430 | H339-M427 HydrophobicContact CB-CB 4.49Å; H339-M427 HydrophobicContact CB-CG 4.13Å; H339-M427 PolarHBondContact N-O 2.84Å; M427-K430 HydrophobicContact CE-CB 4.23Å; M427-K430 HydrophobicContact CE-CG 3.97Å; M427-K430 HydrophobicContact SD-CB 4.35Å; M427-K430 HydrophobicContact SD-CG 4.4Å |
| 428 | V | 97.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 76 Ų | 76 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | -24.1 | 177.1 | -66.5 | 0 | 0 | 0 | 0 | 112.6 | P338 H339 T342 R434 Y436 W447 Y456 | P338-V428 HydrophobicContact CB-CB 4.47Å; P338-V428 HydrophobicContact CB-CG1 4Å; H339-V428 VanDerWaalsContact CA-O 3.27Å; H339-V428 WeakPolarHBondContact CA-O 3.36Å; T342-V428 WeakPolarHBondContact CB-O 3.25Å; T342-V428 PolarHBondContact OG1-O 3.28Å; V428-R434 HydrophobicContact CG2-CB 4.01Å; V428-R434 WeakPolarHBondContact CG2-O 3.46Å; V428-R434 PolarHBondContact N-O 2.98Å; V428-Y436 HydrophobicContact CG1-CG 4.49Å; V428-W447 HydrophobicContact CB-CH2 3.76Å; V428-W447 HydrophobicContact CB-CZ2 4.25Å; V428-W447 HydrophobicContact CB-CZ3 4.25Å; V428-W447 HydrophobicContact CG2-CE3 4.36Å; V428-W447 HydrophobicContact CG2-CH2 3.8Å; V428-W447 HydrophobicContact CG2-CZ2 4.2Å; V428-W447 HydrophobicContact CG2-CZ3 3.88Å; V428-Y456 HydrophobicContact CG1-CD1 4.44Å; V428-Y456 HydrophobicContact CG1-CD2 4.17Å; V428-Y456 HydrophobicContact CG1-CE2 4.23Å; V428-Y456 HydrophobicContact CG1-CG 4.27Å |
| 429 | D | 97.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 79.5 Ų | 79.5 | 0% | 0 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 114.7 | 171 | -168.3 | -44.7 | 0 | 0 | 0 | 108 | T342 T431 M432 E433 R434 W447 | T342-D429 HydrophobicContact CG2-CB 4.22Å; D429-T431 PolarHBondContact OD1-N 2.84Å; D429-M432 HydrophobicContact CB-CB 4.41Å; D429-M432 PolarHBondContact OD1-N 2.91Å; D429-E433 CarbonylContact O-C 3.52Å; D429-E433 WeakPolarHBondContact O-CA 3.04Å; D429-E433 PolarHBondContact O-N 3.06Å; D429-R434 HydrophobicContact CB-CB 3.8Å; D429-R434 HydrophobicContact CB-CG 4.12Å; D429-R434 PolarHBondContact N-O 3.34Å; D429-R434 VanDerWaalsContact N-O 3.16Å; D429-R434 PolarHBondContact O-N 3.36Å; D429-W447 HydrophobicContact CB-CZ2 4.18Å; D429-W447 PolarHBondContact OD2-NE1 2.88Å |
| 430 | K | 95.8 | Very high | 95 | Very high | 117 Ų | 117 | 77.4 Ų | 77.4 | 51% | 0.509 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | -39 | -177.9 | -176.3 | 178.4 | 176.6 | -174.7 | 0 | 110.9 | H339 M427 E433 | H339-K430 HydrophobicContact CB-CB 4.26Å; M427-K430 HydrophobicContact CE-CB 4.23Å; M427-K430 HydrophobicContact CE-CG 3.97Å; M427-K430 HydrophobicContact SD-CB 4.35Å; M427-K430 HydrophobicContact SD-CG 4.4Å; K430-E433 PolarHBondContact O-N 3.43Å |
| 431 | T | 95.4 | Very high | 95.2 | Very high | 89 Ų | 89 | 82.1 Ų | 82.1 | 55% | 0.546 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -35.2 | -174 | -58.8 | 0 | 0 | 0 | 0 | 112.4 | E343 D429 R449 | E343-T431 PolarHBondContact OE1-N 2.97Å; E343-T431 PolarHBondContact OE1-OG1 3.14Å; D429-T431 PolarHBondContact OD1-N 2.84Å; T431-R449 PolarHBondContact OG1-NH2 2.69Å |
| 432 | M | 95.4 | Very high | 95.4 | Very high | 55 Ų | 55 | 79.7 Ų | 79.7 | 27% | 0.271 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 7.7 | 173.4 | -56.5 | -155.9 | -36 | 0 | 0 | 113.8 | D429 R434 W447 M448 R449 | D429-M432 HydrophobicContact CB-CB 4.41Å; D429-M432 PolarHBondContact OD1-N 2.91Å; M432-R434 HydrophobicContact CB-CG 3.91Å; M432-R434 HydrophobicContact CE-CG 3.64Å; M432-R434 PolarHBondContact O-N 2.97Å; M432-R434 VanDerWaalsContact O-N 3.13Å; M432-W447 HydrophobicContact CE-CB 4.08Å; M432-W447 HydrophobicContact CE-CG 3.91Å; M432-M448 VanDerWaalsContact CE-O 3.28Å; M432-M448 WeakPolarHBondContact CE-O 2.98Å; M432-R449 HydrophobicContact SD-CB 4.1Å; M432-R449 HydrophobicContact SD-CG 4.2Å |
| 433 | E | 95.9 | Very high | 95.6 | Very high | 160 Ų | 160 | 77.9 Ų | 77.9 | 75% | 0.748 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 33.4 | -176.2 | -55.3 | -172 | 152.2 | 0 | 0 | 114 | D429 K430 | D429-E433 CarbonylContact O-C 3.52Å; D429-E433 WeakPolarHBondContact O-CA 3.04Å; D429-E433 PolarHBondContact O-N 3.06Å; K430-E433 PolarHBondContact O-N 3.43Å |
| 434 | R | 97 | Very high | 95.9 | Very high | 125 Ų | 125 | 73.1 Ų | 73.1 | 47% | 0.472 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 129.5 | -180 | -60.5 | -68.4 | -179.1 | 169.8 | -0.2 | 110.9 | V428 D429 M432 W447 | V428-R434 HydrophobicContact CG2-CB 4.01Å; V428-R434 WeakPolarHBondContact CG2-O 3.46Å; V428-R434 PolarHBondContact N-O 2.98Å; D429-R434 HydrophobicContact CB-CB 3.8Å; D429-R434 HydrophobicContact CB-CG 4.12Å; D429-R434 PolarHBondContact N-O 3.34Å; D429-R434 VanDerWaalsContact N-O 3.16Å; D429-R434 PolarHBondContact O-N 3.36Å; M432-R434 HydrophobicContact CB-CG 3.91Å; M432-R434 HydrophobicContact CE-CG 3.64Å; M432-R434 PolarHBondContact O-N 2.97Å; M432-R434 VanDerWaalsContact O-N 3.13Å; R434-W447 HydrophobicContact CG-CG 4.38Å |
| 435 | K | 97.4 | Very high | 96.2 | Very high | 138 Ų | 138 | 68.7 Ų | 68.7 | 60% | 0.6 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 134.9 | 174.8 | -62 | 178.4 | -175.3 | 175.2 | 0 | 109.5 | V425 H426 | V425-K435 HydrophobicContact CG1-CB 4.09Å; V425-K435 HydrophobicContact CG1-CD 4.27Å; H426-K435 CarbonylContact O-C 3.54Å; H426-K435 VanDerWaalsContact O-CA 3.29Å; H426-K435 WeakPolarHBondContact O-CA 3.32Å |
| 436 | Y | 97.5 | Very high | 96.2 | Very high | 2 Ų | 2 | 69 Ų | 69 | 1% | 0.008 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 129.7 | 166.9 | 179 | -98.2 | 0 | 0 | 0 | 108.8 | I422 V425 H426 V428 F438 P443 H445 Y456 P458 | I422-Y436 HydrophobicContact CD1-CD1 4.15Å; I422-Y436 HydrophobicContact CD1-CE1 3.55Å; V425-Y436 VanDerWaalsContact CA-O 3.29Å; V425-Y436 WeakPolarHBondContact CA-O 3.38Å; H426-Y436 AromaticContact CE1-CD1 3.43Å; H426-Y436 VanDerWaalsContact CE1-CD1 3.43Å; H426-Y436 WeakPolarHBondContact CE1-CD1 3.22Å; H426-Y436 PolarHBondContact N-O 3.27Å; H426-Y436 AromaticContact NE2-CD1 3.95Å; H426-Y436 PolarHBondContact O-N 3.44Å; V428-Y436 HydrophobicContact CG1-CG 4.49Å; Y436-F438 VanDerWaalsContact CE1-CA 3.45Å; Y436-F438 HydrophobicContact CE1-CB 3.93Å; Y436-F438 HydrophobicContact CE1-CD2 4.12Å; Y436-P443 WeakPolarHBondContact CE2-O 3.47Å; Y436-P443 PolarHBondContact OH-O 2.85Å; Y436-H445 HydrophobicContact CD2-CB 3.43Å; Y436-H445 VanDerWaalsContact CD2-CB 3.43Å; Y436-H445 AromaticContact CD2-CG 3.99Å; Y436-H445 HydrophobicContact CE2-CB 3.7Å; Y436-Y456 HydrophobicContact CD1-CD1 4.48Å; Y436-Y456 AromaticContact CD1-CE1 3.84Å; Y436-Y456 HydrophobicContact CD1-CE1 3.84Å; Y436-Y456 AromaticContact CD2-CD1 3.65Å; Y436-Y456 HydrophobicContact CD2-CD1 3.65Å; Y436-Y456 AromaticContact CD2-CE1 3.84Å; Y436-Y456 HydrophobicContact CD2-CE1 3.84Å; Y436-Y456 AromaticContact CE1-CE1 3.93Å; Y436-Y456 HydrophobicContact CE1-CE1 3.93Å; Y436-Y456 AromaticContact CE2-CD1 3.8Å; Y436-Y456 HydrophobicContact CE2-CD1 3.8Å; Y436-Y456 AromaticContact CE2-CE1 3.94Å; Y436-Y456 HydrophobicContact CE2-CE1 3.94Å; Y436-Y456 AromaticContact CG-CD1 3.99Å; Y436-Y456 HydrophobicContact CG-CD1 3.99Å; Y436-Y456 AromaticContact CG-CE1 3.77Å; Y436-Y456 HydrophobicContact CG-CE1 3.77Å; Y436-Y456 AromaticContact CZ-CE1 3.97Å; Y436-P458 WeakPolarHBondContact OH-CD 3.49Å |
| 437 | R | 97.1 | Very high | 96.3 | Very high | 184 Ų | 184 | 68.1 Ų | 68.1 | 69% | 0.694 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 121.3 | 166.9 | 176.8 | 179.5 | -75.5 | 140.2 | -5.6 | 107.5 | E424 V425 N439 | E424-R437 CarbonylContact O-C 3.47Å; E424-R437 WeakPolarHBondContact O-CA 3.5Å; V425-R437 HydrophobicContact CG2-CB 4.18Å; V425-R437 HydrophobicContact CG2-CG 4.06Å; R437-N439 PolarHBondContact O-N 3.11Å |
| 438 | F | 95.6 | Very high | 96.2 | Very high | 36 Ų | 36 | 69.7 Ų | 69.7 | 16% | 0.158 | 33% | 0.334 | C | S | . | . | trans | -62.6 | 132.2 | -177.5 | 178.2 | -105.5 | 0 | 0 | 0 | 111.8 | M37 L420 I422 E424 Y436 A440 P458 | M37-F438 HydrophobicContact CG-CE1 3.84Å; M37-F438 HydrophobicContact CG-CZ 3.92Å; M37-F438 HydrophobicContact SD-CD1 4.34Å; M37-F438 HydrophobicContact SD-CE1 3.39Å; M37-F438 WeakPolarHBondContact SD-CE1 3.31Å; M37-F438 HydrophobicContact SD-CZ 3.93Å; L420-F438 HydrophobicContact CD2-CD2 4.47Å; L420-F438 HydrophobicContact CD2-CE1 3.97Å; L420-F438 HydrophobicContact CD2-CE2 3.67Å; L420-F438 HydrophobicContact CD2-CZ 3.37Å; I422-F438 HydrophobicContact CD1-CB 4.1Å; I422-F438 HydrophobicContact CD1-CD2 3.57Å; I422-F438 HydrophobicContact CD1-CE2 4.42Å; I422-F438 HydrophobicContact CD1-CG 4.11Å; I422-F438 HydrophobicContact CG2-CB 4.45Å; I422-F438 HydrophobicContact CG2-CD1 4.47Å; I422-F438 HydrophobicContact CG2-CD2 4.01Å; I422-F438 HydrophobicContact CG2-CE2 4.42Å; I422-F438 HydrophobicContact CG2-CG 4.02Å; E424-F438 PolarHBondContact O-N 3.44Å; Y436-F438 VanDerWaalsContact CE1-CA 3.45Å; Y436-F438 HydrophobicContact CE1-CB 3.93Å; Y436-F438 HydrophobicContact CE1-CD2 4.12Å; F438-A440 HydrophobicContact CE1-CB 4.13Å; F438-A440 HydrophobicContact CZ-CB 3.82Å; F438-P458 HydrophobicContact CD2-CG 4.24Å; F438-P458 HydrophobicContact CE2-CG 4.08Å | ||
| 439 | N | 94.7 | Very high | 96.1 | Very high | 76 Ų | 76 | 71.1 Ų | 71.1 | 41% | 0.406 | 34% | 0.34 | S | S | . | . | trans | -145.2 | 111.7 | 171.1 | -179.2 | -7.1 | 0 | 0 | 0 | 108.9 | R437 L441 N442 P443 | R437-N439 PolarHBondContact O-N 3.11Å; N439-L441 PolarHBondContact O-N 2.95Å; N439-L441 VanDerWaalsContact O-N 3.15Å; N439-L441 WeakPolarHBondContact OD1-CB 3.27Å; N439-L441 PolarHBondContact OD1-N 3.04Å; N439-N442 CarbonylContact O-C 3.53Å; N439-N442 PolarHBondContact O-N 2.79Å; N439-P443 WeakPolarHBondContact O-CA 3.04Å; N439-P443 VanDerWaalsContact O-N 3.13Å | ||
| 440 | A | 92.9 | Very high | 95.7 | Very high | 14 Ų | 14 | 78.9 Ų | 78.9 | 12% | 0.116 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -25.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | M37 T40 S44 F438 | M37-A440 HydrophobicContact CG-CB 4.19Å; T40-A440 HydrophobicContact CG2-CB 3.78Å; S44-A440 WeakPolarHBondContact CB-O 3.28Å; S44-A440 PolarHBondContact OG-O 3.22Å; F438-A440 HydrophobicContact CE1-CB 4.13Å; F438-A440 HydrophobicContact CZ-CB 3.82Å |
| 441 | L | 94.1 | Very high | 95.5 | Very high | 122 Ų | 122 | 76.3 Ų | 76.3 | 64% | 0.639 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -19.9 | 176.8 | -66.4 | 169.8 | 0 | 0 | 0 | 113.2 | T40 S44 N439 | T40-L441 HydrophobicContact CG2-CD2 3.6Å; T40-L441 HydrophobicContact CG2-CG 4.07Å; S44-L441 WeakPolarHBondContact OG-CA 3.3Å; N439-L441 PolarHBondContact O-N 2.95Å; N439-L441 VanDerWaalsContact O-N 3.15Å; N439-L441 WeakPolarHBondContact OD1-CB 3.27Å; N439-L441 PolarHBondContact OD1-N 3.04Å |
| 442 | N | 94.9 | Very high | 95.5 | Very high | 91 Ų | 91 | 72.1 Ų | 72.1 | 49% | 0.487 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -141.2 | 70.9 | 176.7 | -172.4 | 27 | 0 | 0 | 0 | 109.8 | M48 N439 I444 | M48-N442 WeakPolarHBondContact CE-OD1 3.31Å; N439-N442 CarbonylContact O-C 3.53Å; N439-N442 PolarHBondContact O-N 2.79Å; N442-I444 VanDerWaalsContact C-N 3.28Å; N442-I444 PolarHBondContact O-N 2.77Å |
| 443 | P | 95.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 34% | 0.343 | C | S | . | . | trans | -74 | -18.6 | -171.1 | 29.7 | -38.8 | 0 | 0 | 0 | 114 | L41 M48 Y436 N439 P458 | L41-P443 HydrophobicContact CD1-CB 3.21Å; L41-P443 HydrophobicContact CD1-CG 3.63Å; M48-P443 HydrophobicContact CE-CG 4.35Å; M48-P443 HydrophobicContact SD-CG 4.18Å; Y436-P443 WeakPolarHBondContact CE2-O 3.47Å; Y436-P443 PolarHBondContact OH-O 2.85Å; N439-P443 WeakPolarHBondContact O-CA 3.04Å; N439-P443 VanDerWaalsContact O-N 3.13Å; P443-P458 HydrophobicContact CB-CG 4.37Å; P443-P458 WeakPolarHBondContact O-CD 3.47Å | ||
| 444 | I | 97 | Very high | 95.8 | Very high | 18 Ų | 18 | 64.5 Ų | 64.5 | 9% | 0.092 | 31% | 0.307 | C | S | . | . | trans | -86.3 | 132.1 | -178.3 | -64.3 | -176.5 | 0 | 0 | 0 | 110.2 | M48 A391 A395 N442 I455 Y456 | M48-I444 HydrophobicContact CB-CD1 4.32Å; M48-I444 HydrophobicContact CG-CD1 4.44Å; M48-I444 HydrophobicContact SD-CB 4.17Å; M48-I444 HydrophobicContact SD-CD1 3.44Å; M48-I444 WeakPolarHBondContact SD-CD1 3.4Å; M48-I444 HydrophobicContact SD-CG1 3.64Å; A391-I444 HydrophobicContact CB-CD1 3.87Å; A391-I444 HydrophobicContact CB-CG2 4.29Å; A391-I444 VanDerWaalsContact O-CD1 3.28Å; A391-I444 WeakPolarHBondContact O-CD1 3.21Å; A395-I444 HydrophobicContact CB-CD1 4.25Å; N442-I444 VanDerWaalsContact C-N 3.28Å; N442-I444 PolarHBondContact O-N 2.77Å; I444-I455 HydrophobicContact CG2-CG2 3.44Å; I444-I455 VanDerWaalsContact CG2-CG2 3.44Å; I444-Y456 WeakPolarHBondContact CA-O 3.41Å | ||
| 445 | H | 97.4 | Very high | 95.8 | Very high | 58 Ų | 58 | 58.9 Ų | 58.9 | 27% | 0.269 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 135.4 | 171.2 | -170.1 | 67.6 | 0 | 0 | 0 | 110.1 | Y436 W447 I455 Y456 | Y436-H445 HydrophobicContact CD2-CB 3.43Å; Y436-H445 VanDerWaalsContact CD2-CB 3.43Å; Y436-H445 AromaticContact CD2-CG 3.99Å; Y436-H445 HydrophobicContact CE2-CB 3.7Å; H445-W447 AromaticContact CD2-CE3 3.64Å; H445-W447 AromaticContact CD2-CZ3 3.93Å; H445-I455 CarbonylContact O-C 3.58Å; H445-I455 WeakPolarHBondContact O-CA 3.46Å; H445-Y456 PolarHBondContact N-O 3.4Å; H445-Y456 PolarHBondContact O-N 2.82Å |
| 446 | S | 97.5 | Very high | 95.9 | Very high | 70 Ų | 70 | 52.5 Ų | 52.5 | 49% | 0.49 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 148.8 | 178.7 | 59.2 | 0 | 0 | 0 | 0 | 111.7 | F454 | S446-F454 CarbonylContact C-O 3.52Å; S446-F454 WeakPolarHBondContact CA-O 3.02Å; S446-F454 WeakPolarHBondContact CB-O 3.44Å |
| 447 | W | 98 | Very high | 95.9 | Very high | 12 Ų | 12 | 52.4 Ų | 52.4 | 5% | 0.045 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 158.2 | 175 | 66.7 | 93.3 | 0 | 0 | 0 | 110.4 | T342 M379 V428 D429 M432 R434 H445 F454 | T342-W447 HydrophobicContact CG2-CZ2 3.95Å; M379-W447 HydrophobicContact CE-CH2 4.11Å; V428-W447 HydrophobicContact CB-CH2 3.76Å; V428-W447 HydrophobicContact CB-CZ2 4.25Å; V428-W447 HydrophobicContact CB-CZ3 4.25Å; V428-W447 HydrophobicContact CG2-CE3 4.36Å; V428-W447 HydrophobicContact CG2-CH2 3.8Å; V428-W447 HydrophobicContact CG2-CZ2 4.2Å; V428-W447 HydrophobicContact CG2-CZ3 3.88Å; D429-W447 HydrophobicContact CB-CZ2 4.18Å; D429-W447 PolarHBondContact OD2-NE1 2.88Å; M432-W447 HydrophobicContact CE-CB 4.08Å; M432-W447 HydrophobicContact CE-CG 3.91Å; R434-W447 HydrophobicContact CG-CG 4.38Å; H445-W447 AromaticContact CD2-CE3 3.64Å; H445-W447 AromaticContact CD2-CZ3 3.93Å; W447-F454 HydrophobicContact CD2-CB 3.69Å; W447-F454 AromaticContact CE2-CG 3.81Å; W447-F454 HydrophobicContact CE3-CB 4.09Å; W447-F454 HydrophobicContact CG-CB 4.24Å; W447-F454 HydrophobicContact CH2-CB 3.86Å; W447-F454 HydrophobicContact CZ2-CB 3.47Å; W447-F454 VanDerWaalsContact CZ2-CB 3.47Å; W447-F454 HydrophobicContact CZ2-CD1 4.31Å; W447-F454 AromaticContact CZ2-CG 3.89Å; W447-F454 HydrophobicContact CZ2-CG 3.89Å; W447-F454 HydrophobicContact CZ3-CB 4.15Å; W447-F454 PolarHBondContact N-O 2.67Å; W447-F454 AromaticContact NE1-CD2 3.64Å; W447-F454 AromaticContact NE1-CG 3.77Å; W447-F454 PolarHBondContact O-N 2.87Å |
| 448 | M | 96.5 | Very high | 95.9 | Very high | 96 Ų | 96 | 43.7 Ų | 43.7 | 47% | 0.473 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 139 | 176.5 | -69.5 | -66.6 | -57.4 | 0 | 0 | 109.8 | M432 E450 V452 L453 | M432-M448 VanDerWaalsContact CE-O 3.28Å; M432-M448 WeakPolarHBondContact CE-O 2.98Å; M448-E450 WeakPolarHBondContact CE-O 3.02Å; M448-V452 WeakPolarHBondContact CA-O 3.38Å; M448-L453 HydrophobicContact CE-CB 4.5Å; M448-L453 HydrophobicContact CG-CD1 4.46Å; M448-L453 VanDerWaalsContact SD-CA 3.53Å; M448-L453 HydrophobicContact SD-CB 3.54Å; M448-L453 VanDerWaalsContact SD-CB 3.54Å; M448-L453 HydrophobicContact SD-CD1 3.66Å; M448-L453 HydrophobicContact SD-CG 4.17Å |
| 449 | R | 94.2 | Very high | 95.9 | Very high | 30 Ų | 30 | 42.2 Ų | 42.2 | 11% | 0.113 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 108.6 | 163.3 | -170.6 | -174.1 | -151.3 | 170.1 | -5.7 | 107.5 | E343 T431 M432 D451 V452 F454 | E343-R449 IonicContact OE1-NH1 3.71Å; E343-R449 IonicContact OE1-NH2 3.7Å; E343-R449 IonicContact OE2-CZ 3.39Å; E343-R449 IonicContact OE2-NH1 2.77Å; E343-R449 PolarHBondContact OE2-NH1 3.41Å; E343-R449 IonicContact OE2-NH2 3.02Å; E343-R449 PolarHBondContact OE2-NH2 3.33Å; T431-R449 PolarHBondContact OG1-NH2 2.69Å; M432-R449 HydrophobicContact SD-CB 4.1Å; M432-R449 HydrophobicContact SD-CG 4.2Å; R449-D451 PolarHBondContact O-N 2.55Å; R449-V452 PolarHBondContact N-O 2.95Å; R449-V452 PolarHBondContact O-N 3Å; R449-F454 HydrophobicContact CB-CD2 4.38Å; R449-F454 HydrophobicContact CB-CE2 3.92Å |
| 450 | E | 89.2 | Confident | 95.8 | Very high | 164 Ų | 164 | 38.8 Ų | 38.8 | 77% | 0.766 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | -113.6 | -172.8 | -58.2 | 173.4 | -172 | 0 | 0 | 110.7 | M448 | M448-E450 WeakPolarHBondContact CE-O 3.02Š|
| 451 | D | 91.2 | Very high | 95.7 | Very high | 62 Ų | 62 | 39.8 Ų | 39.8 | 33% | 0.332 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | 9.1 | 179.3 | 69.3 | -11.5 | 0 | 0 | 0 | 114.3 | R383 G384 R449 | R383-D451 WeakPolarHBondContact CA-O 3.34Å; R383-D451 IonicContact CZ-OD1 3.11Å; R383-D451 IonicContact CZ-OD2 2.94Å; R383-D451 VanDerWaalsContact CZ-OD2 3.28Å; R383-D451 VanDerWaalsContact NE-CG 3.27Å; R383-D451 IonicContact NE-OD1 3.66Å; R383-D451 PolarHBondContact NE-OD1 3.43Å; R383-D451 VanDerWaalsContact NE-OD1 3.16Å; R383-D451 IonicContact NE-OD2 3.3Å; R383-D451 PolarHBondContact NE-OD2 3.23Å; R383-D451 IonicContact NH2-OD1 2.72Å; R383-D451 IonicContact NH2-OD2 3.28Å; R383-D451 PolarHBondContact NH2-OD2 2.69Å; G384-D451 PolarHBondContact N-O 2.93Å; R449-D451 PolarHBondContact O-N 2.55Å |
| 452 | V | 96.9 | Very high | 95.5 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.006 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 119.9 | 178.3 | -171.9 | 0 | 0 | 0 | 0 | 110.7 | L349 A381 S382 R383 M448 R449 F454 | L349-V452 HydrophobicContact CD1-CG1 3.67Å; A381-V452 HydrophobicContact CB-CG1 4.31Å; S382-V452 WeakPolarHBondContact O-CA 3.49Å; R383-V452 HydrophobicContact CB-CG2 4.21Å; R383-V452 HydrophobicContact CG-CG2 4.08Å; M448-V452 WeakPolarHBondContact CA-O 3.38Å; R449-V452 PolarHBondContact N-O 2.95Å; R449-V452 PolarHBondContact O-N 3Å; V452-F454 HydrophobicContact CB-CE2 3.86Å; V452-F454 HydrophobicContact CB-CZ 4.33Å; V452-F454 HydrophobicContact CG1-CD2 4.09Å; V452-F454 HydrophobicContact CG1-CE1 4.31Å; V452-F454 HydrophobicContact CG1-CE2 3.43Å; V452-F454 VanDerWaalsContact CG1-CE2 3.43Å; V452-F454 HydrophobicContact CG1-CZ 3.56Å |
| 453 | L | 98 | Very high | 95.1 | Very high | 55 Ų | 55 | 35.8 Ų | 35.8 | 29% | 0.288 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 125.4 | 169.9 | 175.1 | 62.9 | 0 | 0 | 0 | 109.7 | A381 S382 M448 I455 | A381-L453 CarbonylContact C-O 3.58Å; A381-L453 VanDerWaalsContact CA-O 3.31Å; A381-L453 WeakPolarHBondContact CA-O 3.31Å; S382-L453 PolarHBondContact N-O 3.15Å; S382-L453 PolarHBondContact O-N 3.42Å; M448-L453 HydrophobicContact CE-CB 4.5Å; M448-L453 HydrophobicContact CG-CD1 4.46Å; M448-L453 VanDerWaalsContact SD-CA 3.53Å; M448-L453 HydrophobicContact SD-CB 3.54Å; M448-L453 VanDerWaalsContact SD-CB 3.54Å; M448-L453 HydrophobicContact SD-CD1 3.66Å; M448-L453 HydrophobicContact SD-CG 4.17Å; L453-I455 HydrophobicContact CD1-CG1 4.3Å; L453-I455 HydrophobicContact CD2-CD1 4.03Å; L453-I455 HydrophobicContact CD2-CG1 4.2Å; L453-I455 HydrophobicContact CG-CD1 4.36Å; L453-I455 HydrophobicContact CG-CG1 3.98Å |
| 454 | F | 98.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 138.8 | 168.6 | -67.2 | -88.2 | 0 | 0 | 0 | 109.9 | T342 L345 N346 M379 L380 A381 S446 W447 R449 V452 | T342-F454 HydrophobicContact CG2-CD1 4Å; T342-F454 HydrophobicContact CG2-CE1 3.82Å; T342-F454 HydrophobicContact CG2-CE2 4.44Å; T342-F454 HydrophobicContact CG2-CG 4.38Å; T342-F454 HydrophobicContact CG2-CZ 4.07Å; L345-F454 HydrophobicContact CB-CE1 3.95Å; N346-F454 HydrophobicContact CB-CZ 3.88Å; M379-F454 HydrophobicContact SD-CD1 4.21Å; L380-F454 CarbonylContact O-C 3.57Å; L380-F454 WeakPolarHBondContact O-CA 3.29Å; A381-F454 HydrophobicContact CB-CD1 3.81Å; A381-F454 HydrophobicContact CB-CE1 3.6Å; A381-F454 HydrophobicContact CB-CZ 4.34Å; S446-F454 CarbonylContact C-O 3.52Å; S446-F454 WeakPolarHBondContact CA-O 3.02Å; S446-F454 WeakPolarHBondContact CB-O 3.44Å; W447-F454 HydrophobicContact CD2-CB 3.69Å; W447-F454 AromaticContact CE2-CG 3.81Å; W447-F454 HydrophobicContact CE3-CB 4.09Å; W447-F454 HydrophobicContact CG-CB 4.24Å; W447-F454 HydrophobicContact CH2-CB 3.86Å; W447-F454 HydrophobicContact CZ2-CB 3.47Å; W447-F454 VanDerWaalsContact CZ2-CB 3.47Å; W447-F454 HydrophobicContact CZ2-CD1 4.31Å; W447-F454 AromaticContact CZ2-CG 3.89Å; W447-F454 HydrophobicContact CZ2-CG 3.89Å; W447-F454 HydrophobicContact CZ3-CB 4.15Å; W447-F454 PolarHBondContact N-O 2.67Å; W447-F454 AromaticContact NE1-CD2 3.64Å; W447-F454 AromaticContact NE1-CG 3.77Å; W447-F454 PolarHBondContact O-N 2.87Å; R449-F454 HydrophobicContact CB-CD2 4.38Å; R449-F454 HydrophobicContact CB-CE2 3.92Å; V452-F454 HydrophobicContact CB-CE2 3.86Å; V452-F454 HydrophobicContact CB-CZ 4.33Å; V452-F454 HydrophobicContact CG1-CD2 4.09Å; V452-F454 HydrophobicContact CG1-CE1 4.31Å; V452-F454 HydrophobicContact CG1-CE2 3.43Å; V452-F454 VanDerWaalsContact CG1-CE2 3.43Å; V452-F454 HydrophobicContact CG1-CZ 3.56Å |
| 455 | I | 98.3 | Very high | 94.1 | Very high | 8 Ų | 8 | 43.5 Ų | 43.5 | 4% | 0.041 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 134.5 | 172.6 | -44.5 | 178.1 | 0 | 0 | 0 | 107.3 | M379 L380 G390 L394 I444 H445 L453 | M379-I455 CarbonylContact C-O 3.54Å; M379-I455 VanDerWaalsContact CA-O 3.32Å; M379-I455 WeakPolarHBondContact CA-O 3.42Å; M379-I455 WeakPolarHBondContact CG-O 3.33Å; L380-I455 HydrophobicContact CB-CB 4.39Å; L380-I455 HydrophobicContact CD2-CD1 4.04Å; L380-I455 PolarHBondContact N-O 3.25Å; L380-I455 PolarHBondContact O-N 3.37Å; G390-I455 VanDerWaalsContact C-CD1 3.48Å; L394-I455 HydrophobicContact CD1-CB 3.55Å; L394-I455 HydrophobicContact CD1-CG2 3.51Å; L394-I455 VanDerWaalsContact CD1-O 3.24Å; L394-I455 WeakPolarHBondContact CD1-O 3.2Å; I444-I455 HydrophobicContact CG2-CG2 3.44Å; I444-I455 VanDerWaalsContact CG2-CG2 3.44Å; H445-I455 CarbonylContact O-C 3.58Å; H445-I455 WeakPolarHBondContact O-CA 3.46Å; L453-I455 HydrophobicContact CD1-CG1 4.3Å; L453-I455 HydrophobicContact CD2-CD1 4.03Å; L453-I455 HydrophobicContact CD2-CG1 4.2Å; L453-I455 HydrophobicContact CG-CD1 4.36Å; L453-I455 HydrophobicContact CG-CG1 3.98Å |
| 456 | Y | 98.4 | Very high | 93.4 | Very high | 4 Ų | 4 | 43.9 Ų | 43.9 | 2% | 0.016 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 141 | -176.3 | 172.6 | -87.1 | 0 | 0 | 0 | 109.7 | P338 F377 M379 H426 V428 Y436 I444 H445 | P338-Y456 HydrophobicContact CB-CD2 4.43Å; P338-Y456 HydrophobicContact CB-CE2 3.88Å; P338-Y456 HydrophobicContact CG-CE2 3.87Å; F377-Y456 HydrophobicContact CB-CD2 4.14Å; F377-Y456 HydrophobicContact CB-CE2 3.29Å; F377-Y456 WeakPolarHBondContact CB-OH 3.32Å; F377-Y456 HydrophobicContact CD1-CE2 4.28Å; F377-Y456 AromaticContact CD2-CD2 3.88Å; F377-Y456 HydrophobicContact CD2-CD2 3.88Å; F377-Y456 AromaticContact CD2-CE2 3.59Å; F377-Y456 HydrophobicContact CD2-CE2 3.59Å; F377-Y456 HydrophobicContact CG-CD2 4.21Å; F377-Y456 AromaticContact CG-CE2 3.46Å; F377-Y456 HydrophobicContact CG-CE2 3.46Å; F377-Y456 VanDerWaalsContact CG-CE2 3.46Å; M379-Y456 HydrophobicContact CE-CD2 3.74Å; H426-Y456 PolarHBondContact CE1-OH 2.98Å; H426-Y456 AromaticContact NE2-CZ 3.53Å; H426-Y456 PolarHBondContact NE2-OH 3.22Å; H426-Y456 VanDerWaalsContact NE2-OH 3.07Å; V428-Y456 HydrophobicContact CG1-CD1 4.44Å; V428-Y456 HydrophobicContact CG1-CD2 4.17Å; V428-Y456 HydrophobicContact CG1-CE2 4.23Å; V428-Y456 HydrophobicContact CG1-CG 4.27Å; Y436-Y456 HydrophobicContact CD1-CD1 4.48Å; Y436-Y456 AromaticContact CD1-CE1 3.84Å; Y436-Y456 HydrophobicContact CD1-CE1 3.84Å; Y436-Y456 AromaticContact CD2-CD1 3.65Å; Y436-Y456 HydrophobicContact CD2-CD1 3.65Å; Y436-Y456 AromaticContact CD2-CE1 3.84Å; Y436-Y456 HydrophobicContact CD2-CE1 3.84Å; Y436-Y456 AromaticContact CE1-CE1 3.93Å; Y436-Y456 HydrophobicContact CE1-CE1 3.93Å; Y436-Y456 AromaticContact CE2-CD1 3.8Å; Y436-Y456 HydrophobicContact CE2-CD1 3.8Å; Y436-Y456 AromaticContact CE2-CE1 3.94Å; Y436-Y456 HydrophobicContact CE2-CE1 3.94Å; Y436-Y456 AromaticContact CG-CD1 3.99Å; Y436-Y456 HydrophobicContact CG-CD1 3.99Å; Y436-Y456 AromaticContact CG-CE1 3.77Å; Y436-Y456 HydrophobicContact CG-CE1 3.77Å; Y436-Y456 AromaticContact CZ-CE1 3.97Å; I444-Y456 WeakPolarHBondContact CA-O 3.41Å; H445-Y456 PolarHBondContact N-O 3.4Å; H445-Y456 PolarHBondContact O-N 2.82Å |
| 457 | T | 97.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 143.4 | 166.6 | -177.6 | 0 | 0 | 0 | 0 | 109.5 | W45 F377 H378 L394 A398 | W45-T457 PolarHBondContact NE1-OG1 3.27Å; F377-T457 CarbonylContact C-O 3.56Å; F377-T457 VanDerWaalsContact CA-O 3.32Å; F377-T457 WeakPolarHBondContact CA-O 3.27Å; F377-T457 WeakPolarHBondContact CB-O 3.5Å; H378-T457 HydrophobicContact CB-CG2 3.99Å; H378-T457 PolarHBondContact N-O 3.18Å; H378-T457 PolarHBondContact O-N 2.74Å; L394-T457 HydrophobicContact CB-CG2 3.94Å; L394-T457 HydrophobicContact CD2-CG2 4.42Å; A398-T457 HydrophobicContact CB-CG2 4.14Å |
| 458 | P | 96.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 171.8 | 162.4 | 30 | -34.7 | 0 | 0 | 0 | 110.7 | L41 W45 L420 I422 Y436 F438 P443 | L41-P458 HydrophobicContact CD1-CG 4.47Å; L41-P458 HydrophobicContact CD2-CG 4.49Å; W45-P458 WeakPolarHBondContact CZ2-O 3.39Å; L420-P458 HydrophobicContact CD1-CB 4.12Å; I422-P458 HydrophobicContact CD1-CB 3.64Å; I422-P458 HydrophobicContact CD1-CG 4.06Å; I422-P458 HydrophobicContact CG1-CB 4.46Å; Y436-P458 WeakPolarHBondContact OH-CD 3.49Å; F438-P458 HydrophobicContact CD2-CG 4.24Å; F438-P458 HydrophobicContact CE2-CG 4.08Å; P443-P458 HydrophobicContact CB-CG 4.37Å; P443-P458 WeakPolarHBondContact O-CD 3.47Å |
| 459 | V | 95 | Very high | 91.2 | Very high | 6 Ų | 6 | 41.3 Ų | 41.3 | 4% | 0.036 | 21% | 0.209 | C | C | . | . | trans | -127.9 | 161.9 | 173 | -59.3 | 0 | 0 | 0 | 0 | 111 | L375 T376 H378 A398 L420 | L375-V459 VanDerWaalsContact O-CG2 3.32Å; L375-V459 WeakPolarHBondContact O-CG2 3.38Å; T376-V459 PolarHBondContact O-N 2.82Å; H378-V459 HydrophobicContact CB-CG1 4.36Å; H378-V459 WeakPolarHBondContact CD2-CG1 3.3Å; A398-V459 HydrophobicContact CB-CG1 4.21Å; L420-V459 WeakPolarHBondContact CD1-O 3.31Å | ||
| 460 | L | 93.8 | Very high | 91.1 | Very high | 4 Ų | 4 | 40.1 Ų | 40.1 | 2% | 0.021 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -102 | 133.6 | 171 | -69.5 | 169.6 | 0 | 0 | 0 | 109.1 | E38 L41 V42 W45 A402 L418 L420 | E38-L460 HydrophobicContact CB-CD1 4.27Å; E38-L460 HydrophobicContact CB-CD2 4.05Å; E38-L460 HydrophobicContact CG-CD2 3.69Å; L41-L460 HydrophobicContact CB-CD1 4.39Å; L41-L460 HydrophobicContact CD2-CD1 4.08Å; L41-L460 HydrophobicContact CD2-CD2 3.82Å; L41-L460 HydrophobicContact CD2-CG 3.78Å; L41-L460 HydrophobicContact CG-CD1 4.34Å; V42-L460 HydrophobicContact CG2-CD1 3.64Å; W45-L460 HydrophobicContact CH2-CB 4.36Å; W45-L460 HydrophobicContact CH2-CD1 4Å; W45-L460 HydrophobicContact CH2-CG 3.77Å; W45-L460 HydrophobicContact CZ3-CB 4.4Å; W45-L460 HydrophobicContact CZ3-CD1 3.63Å; W45-L460 HydrophobicContact CZ3-CG 3.89Å; A402-L460 HydrophobicContact CB-CB 4.14Å; L418-L460 HydrophobicContact CD1-CD1 3.95Å; L418-L460 HydrophobicContact CD2-CB 4.2Å; L420-L460 HydrophobicContact CB-CD2 3.89Å; L420-L460 HydrophobicContact CD1-CD2 4.16Å |
| 461 | L | 90.3 | Very high | 91.2 | Very high | 34 Ų | 34 | 33.9 Ų | 33.9 | 18% | 0.178 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 148.4 | 174.6 | -68 | 172.8 | 0 | 0 | 0 | 109.9 | L375 L418 E419 R421 | L375-L461 HydrophobicContact CD2-CD2 4.38Å; L375-L461 VanDerWaalsContact O-CD2 3.25Å; L375-L461 WeakPolarHBondContact O-CD2 3.19Å; L418-L461 CarbonylContact C-O 3.55Å; L418-L461 WeakPolarHBondContact CA-O 3.36Å; E419-L461 HydrophobicContact CB-CB 4.49Å; E419-L461 PolarHBondContact N-O 2.85Å; E419-L461 PolarHBondContact O-N 3.1Å; R421-L461 HydrophobicContact CB-CD1 4.4Å; R421-L461 HydrophobicContact CG-CD1 3.99Å |
| 462 | C | 90.1 | Very high | 91.3 | Very high | 15 Ų | 15 | 32 Ų | 32 | 10% | 0.101 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 129.2 | 166 | -156.7 | 0 | 0 | 0 | 0 | 109.9 | A405 C406 H464 P465 | A405-C462 HydrophobicContact CB-CB 3.86Å; C406-C462 WeakPolarHBondContact CA-SG 3.47Å; C406-C462 HydrophobicContact CB-CB 4.15Å; C406-C462 WeakPolarHBondContact CB-SG 3.23Å; C406-C462 VanDerWaalsContact SG-CA 3.57Å; C406-C462 WeakPolarHBondContact SG-CB 3.4Å; C406-C462 CovalentContact SG-SG 2.05Å; C406-C462 PolarHBondContact SG-SG 3.41Å; C462-H464 VanDerWaalsContact C-N 3.3Å; C462-H464 PolarHBondContact O-N 2.91Å; C462-H464 PolarHBondContact SG-O 3.31Å; C462-P465 HydrophobicContact CB-CG 4.47Å |
| 463 | R | 87.2 | Confident | 91.3 | Very high | 114 Ų | 114 | 32.6 Ų | 32.6 | 43% | 0.43 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -64.6 | -36.5 | 177.2 | -68.7 | -174.9 | -166.9 | 170.9 | 5.4 | 112.4 | K416 S417 L418 E419 | K416-R463 WeakPolarHBondContact O-CD 3.46Å; K416-R463 VanDerWaalsContact O-CZ 3.22Å; K416-R463 PolarHBondContact O-NE 3.12Å; K416-R463 PolarHBondContact O-NH1 2.76Å; S417-R463 PolarHBondContact O-N 3.4Å; L418-R463 VanDerWaalsContact O-CZ 3.28Å; L418-R463 PolarHBondContact O-NE 3.29Å; L418-R463 PolarHBondContact O-NH2 3.23Å; E419-R463 HydrophobicContact CB-CG 3.9Å |
| 464 | H | 85.9 | Confident | 91.2 | Very high | 139 Ų | 139 | 30 Ų | 30 | 64% | 0.644 | 16% | 0.162 | S | C | * | . | S | Bend | trans | -129.2 | 87.2 | 176.2 | -59 | -60.4 | 0 | 0 | 0 | 108.3 | C462 A466 | C462-H464 VanDerWaalsContact C-N 3.3Å; C462-H464 PolarHBondContact O-N 2.91Å; C462-H464 PolarHBondContact SG-O 3.31Å; H464-A466 PolarHBondContact O-N 3.18Å |
| 465 | P | 84.9 | Confident | 91.1 | Very high | 42 Ų | 42 | 30.1 Ų | 30.1 | 27% | 0.273 | 16% | 0.163 | S | C | . | . | trans | -57.5 | 127.2 | 179.9 | -23.7 | 33.9 | 0 | 0 | 0 | 110.9 | A405 C462 K467 | A405-P465 CarbonylContact O-C 3.58Å; A405-P465 VanDerWaalsContact O-CA 3.29Å; A405-P465 WeakPolarHBondContact O-CA 3.35Å; C462-P465 HydrophobicContact CB-CG 4.47Å; P465-K467 VanDerWaalsContact C-N 3.35Å | ||
| 466 | A | 82.5 | Confident | 91 | Very high | 65 Ų | 65 | 29.8 Ų | 29.8 | 54% | 0.537 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -78.5 | -26.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | A405 H464 | A405-A466 PolarHBondContact O-N 3.16Å; H464-A466 PolarHBondContact O-N 3.18Å |
| 467 | K | 79.7 | Confident | 91 | Very high | 89 Ų | 89 | 29.7 Ų | 29.7 | 39% | 0.387 | 16% | 0.161 | S | C | . | . | trans | -134.4 | 140.8 | 177.4 | -63.4 | -176.9 | -178 | 178.3 | 0 | 109.9 | E404 P465 | E404-K467 WeakPolarHBondContact OE1-CD 3.26Å; E404-K467 IonicContact OE1-NZ 3.89Å; E404-K467 PolarHBondContact OE1-NZ 3.24Å; P465-K467 VanDerWaalsContact C-N 3.35Å | ||
| 468 | T | 80.4 | Confident | 90.9 | Very high | 19 Ų | 19 | 30 Ų | 30 | 12% | 0.117 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -100.2 | -22.6 | 169.3 | 71.1 | 0 | 0 | 0 | 0 | 112.6 | E197 R214 | E197-T468 WeakPolarHBondContact OE1-CB 3.39Å; E197-T468 WeakPolarHBondContact OE1-CG2 3.34Å; E197-T468 PolarHBondContact OE1-N 2.87Å; E197-T468 PolarHBondContact OE1-OG1 3.09Å; R214-T468 WeakPolarHBondContact CD-OG1 3.4Å; R214-T468 PolarHBondContact NE-O 3.42Å; R214-T468 PolarHBondContact NH1-O 2.84Å; R214-T468 PolarHBondContact NH2-O 2.96Å |
| 469 | V | 86.4 | Confident | 91 | Very high | 16 Ų | 16 | 30 Ų | 30 | 10% | 0.097 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -99.1 | 161.7 | 176.3 | -64.7 | 0 | 0 | 0 | 0 | 112.4 | I70 I195 V471 | I70-V469 HydrophobicContact CD1-CG2 4.03Å; I195-V469 HydrophobicContact CD1-CG1 4.34Å; I195-V469 HydrophobicContact CG1-CG1 4.39Å; I195-V469 HydrophobicContact CG2-CG1 3.8Å; V469-V471 VanDerWaalsContact C-N 3.25Å; V469-V471 PolarHBondContact O-N 3.35Å; V469-V471 VanDerWaalsContact O-N 3.14Å |
| 470 | G | 90.9 | Very high | 91.1 | Very high | 6 Ų | 6 | 29.8 Ų | 29.8 | 6% | 0.062 | 16% | 0.162 | C | C | . | . | S | Bend | trans | 79.4 | -14.6 | 173 | 0 | 0 | 0 | 0 | 0 | 117 | A472 Q473 A474 | G470-A472 PolarHBondContact O-N 3Å; G470-Q473 VanDerWaalsContact CA-OE1 3.3Å; G470-Q473 PolarHBondContact O-N 3.43Å; G470-A474 PolarHBondContact O-N 2.92Å |
| 471 | V | 92.3 | Very high | 91.3 | Very high | 32 Ų | 32 | 30.1 Ų | 30.1 | 19% | 0.194 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.7 | -45.7 | -179.1 | -177.6 | 0 | 0 | 0 | 0 | 111.4 | A401 E404 A405 V469 Q473 A474 V475 | A401-V471 HydrophobicContact CB-CG1 4.42Å; E404-V471 HydrophobicContact CB-CG2 4.48Å; E404-V471 HydrophobicContact CG-CG2 4.25Å; A405-V471 HydrophobicContact CB-CG1 4.47Å; A405-V471 HydrophobicContact CB-CG2 4.21Å; V469-V471 VanDerWaalsContact C-N 3.25Å; V469-V471 PolarHBondContact O-N 3.35Å; V469-V471 VanDerWaalsContact O-N 3.14Å; V471-Q473 VanDerWaalsContact C-N 3.32Å; V471-Q473 PolarHBondContact O-N 3.27Å; V471-A474 PolarHBondContact O-N 2.99Å; V471-V475 VanDerWaalsContact O-CG2 3.28Å; V471-V475 WeakPolarHBondContact O-CG2 3.42Å; V471-V475 PolarHBondContact O-N 3.38Å |
| 472 | A | 93.9 | Very high | 91.6 | Very high | 24 Ų | 24 | 30.5 Ų | 30.5 | 20% | 0.198 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.3 | -40.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | G470 V475 D476 | G470-A472 PolarHBondContact O-N 3Å; A472-V475 WeakPolarHBondContact O-CB 3.32Å; A472-V475 PolarHBondContact O-N 2.91Å; A472-D476 WeakPolarHBondContact O-CB 3.37Å; A472-D476 PolarHBondContact O-N 3.3Å |
| 473 | Q | 96.4 | Very high | 91.9 | Very high | 13 Ų | 13 | 29.9 Ų | 29.9 | 6% | 0.061 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -70.1 | -34.8 | 178.5 | -69.9 | 71.7 | 36.9 | 0 | 0 | 112.3 | N144 L147 I148 E283 G470 V471 D476 A477 | N144-Q473 HydrophobicContact CB-CG 4.05Å; N144-Q473 PolarHBondContact ND2-NE2 3.43Å; N144-Q473 PolarHBondContact OD1-NE2 2.85Å; L147-Q473 HydrophobicContact CB-CB 3.65Å; L147-Q473 HydrophobicContact CB-CG 3.7Å; L147-Q473 HydrophobicContact CD1-CG 4.12Å; I148-Q473 HydrophobicContact CG1-CB 3.93Å; I148-Q473 HydrophobicContact CG1-CG 4.08Å; E283-Q473 VanDerWaalsContact OE1-CG 3.31Å; E283-Q473 WeakPolarHBondContact OE1-CG 3.23Å; E283-Q473 PolarHBondContact OE1-NE2 3.27Å; G470-Q473 VanDerWaalsContact CA-OE1 3.3Å; G470-Q473 PolarHBondContact O-N 3.43Å; V471-Q473 VanDerWaalsContact C-N 3.32Å; V471-Q473 PolarHBondContact O-N 3.27Å; Q473-D476 PolarHBondContact O-N 3.07Å; Q473-A477 WeakPolarHBondContact O-CB 3.39Å; Q473-A477 PolarHBondContact O-N 3.06Å |
| 474 | A | 95.4 | Very high | 92.4 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.008 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65.6 | -42.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | E404 G470 V471 A478 | E404-A474 HydrophobicContact CB-CB 3.9Å; E404-A474 HydrophobicContact CG-CB 3.84Å; G470-A474 PolarHBondContact O-N 2.92Å; V471-A474 PolarHBondContact O-N 2.99Å; A474-A478 WeakPolarHBondContact O-CB 3.44Å; A474-A478 PolarHBondContact O-N 3.41Å |
| 475 | V | 96.4 | Very high | 92.9 | Very high | 2 Ų | 2 | 20 Ų | 20 | 1% | 0.012 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -59.2 | -49.2 | 173 | 169.2 | 0 | 0 | 0 | 0 | 110.8 | H373 H378 G397 A401 V471 A472 A478 A479 | H373-V475 HydrophobicContact CB-CG1 4.21Å; H378-V475 WeakPolarHBondContact CE1-CG1 3.4Å; G397-V475 WeakPolarHBondContact O-CG2 3.39Å; A401-V475 HydrophobicContact CB-CG2 3.54Å; V471-V475 VanDerWaalsContact O-CG2 3.28Å; V471-V475 WeakPolarHBondContact O-CG2 3.42Å; V471-V475 PolarHBondContact O-N 3.38Å; A472-V475 WeakPolarHBondContact O-CB 3.32Å; A472-V475 PolarHBondContact O-N 2.91Å; V475-A478 PolarHBondContact O-N 3.37Å; V475-A479 WeakPolarHBondContact O-CB 3.42Å; V475-A479 PolarHBondContact O-N 2.88Å |
| 476 | D | 97.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -67.1 | -46.8 | -176.4 | -168 | 34 | 0 | 0 | 0 | 111.8 | I148 H281 T308 A472 Q473 A478 A479 L480 | I148-D476 HydrophobicContact CD1-CB 4.39Å; I148-D476 VanDerWaalsContact CD1-OD2 3.32Å; I148-D476 WeakPolarHBondContact CD1-OD2 3.44Å; H281-D476 IonicContact CD2-OD2 3.33Å; H281-D476 IonicContact CE1-OD1 3.69Å; H281-D476 PolarHBondContact CE1-OD1 2.69Å; H281-D476 IonicContact NE2-OD1 3.47Å; H281-D476 PolarHBondContact NE2-OD1 3.29Å; H281-D476 VanDerWaalsContact NE2-OD1 3.16Å; H281-D476 IonicContact NE2-OD2 3.91Å; H281-D476 PolarHBondContact NE2-OD2 3.37Å; H281-D476 VanDerWaalsContact NE2-OD2 3.11Å; T308-D476 WeakPolarHBondContact CB-OD1 3.5Å; T308-D476 HydrophobicContact CG2-CB 4.06Å; T308-D476 WeakPolarHBondContact CG2-OD1 3.48Å; T308-D476 PolarHBondContact OG1-OD1 3.02Å; A472-D476 WeakPolarHBondContact O-CB 3.37Å; A472-D476 PolarHBondContact O-N 3.3Å; Q473-D476 PolarHBondContact O-N 3.07Å; D476-A478 VanDerWaalsContact C-N 3.34Å; D476-A478 PolarHBondContact O-N 2.93Å; D476-A479 PolarHBondContact O-N 3.37Å; D476-L480 WeakPolarHBondContact O-CB 3.41Å; D476-L480 PolarHBondContact O-N 3.31Å |
| 477 | A | 97.5 | Very high | 93.7 | Very high | 2 Ų | 2 | 21.9 Ų | 21.9 | 2% | 0.017 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -54.8 | -48.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | I148 N151 I152 Q473 M481 | I148-A477 HydrophobicContact CG2-CB 4.33Å; N151-A477 HydrophobicContact CB-CB 3.58Å; I152-A477 HydrophobicContact CG1-CB 3.9Å; Q473-A477 WeakPolarHBondContact O-CB 3.39Å; Q473-A477 PolarHBondContact O-N 3.06Å; A477-M481 WeakPolarHBondContact O-CB 3.39Å; A477-M481 WeakPolarHBondContact O-CG 3.48Å; A477-M481 PolarHBondContact O-N 3.28Å; A477-M481 VanDerWaalsContact O-N 3.08Å |
| 478 | A | 96.6 | Very high | 93.7 | Very high | 8 Ų | 8 | 23.8 Ų | 23.8 | 7% | 0.066 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -64.5 | -49.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | A396 A400 A474 V475 D476 L480 M481 Y482 | A396-A478 HydrophobicContact CB-CB 4.21Å; A400-A478 HydrophobicContact CB-CB 3.63Å; A474-A478 WeakPolarHBondContact O-CB 3.44Å; A474-A478 PolarHBondContact O-N 3.41Å; V475-A478 PolarHBondContact O-N 3.37Å; D476-A478 VanDerWaalsContact C-N 3.34Å; D476-A478 PolarHBondContact O-N 2.93Å; A478-L480 VanDerWaalsContact C-N 3.29Å; A478-L480 PolarHBondContact O-N 3.01Å; A478-M481 PolarHBondContact O-N 3.33Å; A478-Y482 WeakPolarHBondContact O-CD2 3.47Å; A478-Y482 PolarHBondContact O-N 3.33Å |
| 479 | A | 97.6 | Very high | 93 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.5 | -38.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112 | S393 V475 D476 S483 | S393-A479 VanDerWaalsContact CB-O 3.31Å; S393-A479 WeakPolarHBondContact CB-O 3.24Å; S393-A479 WeakPolarHBondContact O-CA 3.45Å; S393-A479 WeakPolarHBondContact O-CB 3.3Å; S393-A479 PolarHBondContact OG-O 2.83Å; V475-A479 WeakPolarHBondContact O-CB 3.42Å; V475-A479 PolarHBondContact O-N 2.88Å; D476-A479 PolarHBondContact O-N 3.37Å; A479-S483 PolarHBondContact O-N 2.94Å; A479-S483 VanDerWaalsContact O-N 3.14Å; A479-S483 PolarHBondContact O-OG 3.2Å |
| 480 | L | 97.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -70.8 | -41.8 | -179.8 | -170.8 | 55.5 | 0 | 0 | 0 | 111.9 | L243 V245 H281 W387 D476 A478 Y482 S483 | L243-L480 HydrophobicContact CD1-CD1 4.39Å; L243-L480 HydrophobicContact CD1-CD2 4.42Å; L243-L480 HydrophobicContact CD2-CD1 4.21Å; L243-L480 HydrophobicContact CD2-CD2 3.62Å; L243-L480 HydrophobicContact CD2-CG 3.72Å; L243-L480 HydrophobicContact CG-CD2 4.47Å; V245-L480 HydrophobicContact CG2-CD2 3.68Å; H281-L480 HydrophobicContact CB-CD1 4.28Å; H281-L480 HydrophobicContact CB-CD2 3.94Å; W387-L480 HydrophobicContact CH2-CD1 4.4Å; W387-L480 HydrophobicContact CZ3-CD1 4.41Å; D476-L480 WeakPolarHBondContact O-CB 3.41Å; D476-L480 PolarHBondContact O-N 3.31Å; A478-L480 VanDerWaalsContact C-N 3.29Å; A478-L480 PolarHBondContact O-N 3.01Å; L480-Y482 VanDerWaalsContact C-N 3.29Å; L480-Y482 PolarHBondContact O-N 2.92Å; L480-S483 VanDerWaalsContact O-CB 3.29Å; L480-S483 WeakPolarHBondContact O-CB 3.32Å; L480-S483 PolarHBondContact O-N 3.49Å |
| 481 | M | 97.6 | Very high | 91.4 | Very high | 12 Ų | 12 | 38.8 Ų | 38.8 | 6% | 0.059 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -68.5 | -26 | 179.4 | -70.6 | -52.7 | -52.5 | 0 | 0 | 114.1 | F56 I59 I152 F156 V159 A477 A478 | F56-M481 HydrophobicContact CB-CE 4.4Å; I59-M481 HydrophobicContact CD1-CE 4.12Å; I59-M481 HydrophobicContact CD1-SD 3.26Å; I59-M481 WeakPolarHBondContact CD1-SD 3.34Å; I152-M481 HydrophobicContact CD1-CG 4.49Å; I152-M481 HydrophobicContact CD1-SD 4.26Å; I152-M481 HydrophobicContact CG1-CG 4.06Å; I152-M481 HydrophobicContact CG1-SD 4.31Å; I152-M481 HydrophobicContact CG2-CG 4.38Å; I152-M481 HydrophobicContact CG2-SD 3.99Å; F156-M481 HydrophobicContact CD1-CB 4.41Å; F156-M481 HydrophobicContact CD1-CE 4.29Å; F156-M481 HydrophobicContact CD2-CB 4.2Å; F156-M481 HydrophobicContact CD2-CG 3.78Å; F156-M481 HydrophobicContact CE1-CB 3.82Å; F156-M481 HydrophobicContact CE1-CG 4.42Å; F156-M481 HydrophobicContact CE2-CB 3.58Å; F156-M481 HydrophobicContact CE2-CG 3.53Å; F156-M481 HydrophobicContact CG-CE 4.23Å; F156-M481 HydrophobicContact CG-CG 4.34Å; F156-M481 HydrophobicContact CZ-CB 3.36Å; F156-M481 HydrophobicContact CZ-CG 3.88Å; V159-M481 HydrophobicContact CG2-CE 3.67Å; A477-M481 WeakPolarHBondContact O-CB 3.39Å; A477-M481 WeakPolarHBondContact O-CG 3.48Å; A477-M481 PolarHBondContact O-N 3.28Å; A477-M481 VanDerWaalsContact O-N 3.08Å; A478-M481 PolarHBondContact O-N 3.33Å |
| 482 | Y | 97.7 | Very high | 91.4 | Very high | 42 Ų | 42 | 39.2 Ų | 39.2 | 17% | 0.165 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -3.5 | 170.4 | -78.1 | -92.8 | 0 | 0 | 0 | 113.1 | M49 F156 N389 A392 A396 A478 L480 | M49-Y482 HydrophobicContact CB-CD1 4.37Å; M49-Y482 HydrophobicContact CB-CE1 3.86Å; M49-Y482 HydrophobicContact CE-CD2 4.47Å; M49-Y482 HydrophobicContact CE-CE1 4.15Å; M49-Y482 HydrophobicContact CE-CE2 3.66Å; M49-Y482 VanDerWaalsContact CE-CZ 3.47Å; M49-Y482 WeakPolarHBondContact CE-OH 3.37Å; F156-Y482 HydrophobicContact CE1-CE2 4.19Å; F156-Y482 HydrophobicContact CZ-CD2 4.36Å; F156-Y482 AromaticContact CZ-CE2 3.96Å; F156-Y482 HydrophobicContact CZ-CE2 3.96Å; N389-Y482 WeakPolarHBondContact CB-O 3.23Å; N389-Y482 PolarHBondContact ND2-O 3.37Å; A392-Y482 HydrophobicContact CB-CD1 4.27Å; A396-Y482 HydrophobicContact CB-CD2 3.32Å; A396-Y482 HydrophobicContact CB-CE2 3.82Å; A396-Y482 HydrophobicContact CB-CG 3.71Å; A478-Y482 WeakPolarHBondContact O-CD2 3.47Å; A478-Y482 PolarHBondContact O-N 3.33Å; L480-Y482 VanDerWaalsContact C-N 3.29Å; L480-Y482 PolarHBondContact O-N 2.92Å |
| 483 | S | 97.4 | Very high | 91.3 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.007 | 19% | 0.194 | C | C | . | . | trans | -78.5 | 152.9 | 170.5 | -62.3 | 0 | 0 | 0 | 0 | 110.7 | R369 S393 A479 L480 | R369-S483 PolarHBondContact NE-OG 2.95Å; R369-S483 PolarHBondContact NH2-OG 2.81Å; S393-S483 WeakPolarHBondContact CB-OG 3.36Å; S393-S483 PolarHBondContact OG-OG 3.23Å; A479-S483 PolarHBondContact O-N 2.94Å; A479-S483 VanDerWaalsContact O-N 3.14Å; A479-S483 PolarHBondContact O-OG 3.2Å; L480-S483 VanDerWaalsContact O-CB 3.29Å; L480-S483 WeakPolarHBondContact O-CB 3.32Å; L480-S483 PolarHBondContact O-N 3.49Å | ||
| 484 | Q | 96.7 | Very high | 91 | Very high | 33 Ų | 33 | 41.6 Ų | 41.6 | 15% | 0.154 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 131.6 | 171.8 | -178.7 | 171.2 | -81.7 | 0 | 0 | 109.5 | P52 V54 W387 S388 N389 | P52-Q484 HydrophobicContact CB-CB 3.84Å; P52-Q484 HydrophobicContact CB-CG 4.38Å; V54-Q484 HydrophobicContact CB-CG 4.04Å; W387-Q484 CarbonylContact C-O 3.58Å; W387-Q484 WeakPolarHBondContact CA-O 3.44Å; S388-Q484 PolarHBondContact N-O 3.46Å; S388-Q484 PolarHBondContact O-N 3.22Å; S388-Q484 WeakPolarHBondContact OG-CB 3.5Å; S388-Q484 WeakPolarHBondContact OG-CG 3.33Å; S388-Q484 PolarHBondContact OG-NE2 3.36Å; N389-Q484 HydrophobicContact CB-CB 4.08Å |
| 485 | F | 96.8 | Very high | 90.7 | Very high | 13 Ų | 13 | 44.1 Ų | 44.1 | 6% | 0.057 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 128 | 171.8 | -177.8 | -96.5 | 0 | 0 | 0 | 110.3 | F56 P279 D386 W387 K487 | F56-F485 HydrophobicContact CE1-CB 4.12Å; F56-F485 HydrophobicContact CZ-CB 3.78Å; P279-F485 HydrophobicContact CB-CB 4.36Å; P279-F485 HydrophobicContact CB-CD1 3.75Å; P279-F485 HydrophobicContact CB-CD2 3.89Å; P279-F485 HydrophobicContact CB-CE1 3.88Å; P279-F485 HydrophobicContact CB-CE2 4.01Å; P279-F485 HydrophobicContact CB-CG 3.73Å; P279-F485 HydrophobicContact CB-CZ 4Å; P279-F485 VanDerWaalsContact CD-CD1 3.46Å; P279-F485 HydrophobicContact CG-CB 3.97Å; P279-F485 HydrophobicContact CG-CD1 3.48Å; P279-F485 VanDerWaalsContact CG-CD1 3.48Å; P279-F485 HydrophobicContact CG-CD2 4.35Å; P279-F485 HydrophobicContact CG-CE1 3.98Å; P279-F485 HydrophobicContact CG-CG 3.67Å; D386-F485 HydrophobicContact CB-CD2 4.22Å; D386-F485 HydrophobicContact CB-CE2 3.8Å; D386-F485 CarbonylContact O-C 3.55Å; D386-F485 VanDerWaalsContact O-CA 3.31Å; D386-F485 WeakPolarHBondContact O-CA 3.15Å; W387-F485 HydrophobicContact CD2-CB 4.48Å; W387-F485 AromaticContact CD2-CD2 3.77Å; W387-F485 HydrophobicContact CD2-CD2 3.77Å; W387-F485 AromaticContact CE2-CD2 3.48Å; W387-F485 VanDerWaalsContact CE2-CD2 3.48Å; W387-F485 HydrophobicContact CE3-CB 4.07Å; W387-F485 HydrophobicContact CE3-CD2 4.21Å; W387-F485 HydrophobicContact CG-CD2 4.25Å; W387-F485 HydrophobicContact CH2-CB 4.17Å; W387-F485 HydrophobicContact CH2-CD2 4.16Å; W387-F485 HydrophobicContact CH2-CG 4.47Å; W387-F485 AromaticContact CZ2-CD2 3.69Å; W387-F485 HydrophobicContact CZ2-CD2 3.69Å; W387-F485 HydrophobicContact CZ2-CE2 4.25Å; W387-F485 HydrophobicContact CZ2-CG 4.4Å; W387-F485 HydrophobicContact CZ3-CB 3.93Å; W387-F485 HydrophobicContact CZ3-CD2 4.41Å; W387-F485 AromaticContact NE1-CD2 3.81Å; W387-F485 AromaticContact NE1-CE2 3.95Å; F485-K487 HydrophobicContact CE1-CB 4.02Å; F485-K487 HydrophobicContact CZ-CB 4.01Å; F485-K487 HydrophobicContact CZ-CD 4.47Å |
| 486 | F | 93.9 | Very high | 90.3 | Very high | 112 Ų | 112 | 46.9 Ų | 46.9 | 49% | 0.491 | 23% | 0.227 | S | C | . | . | trans | -148 | 120 | 173.9 | -177.1 | -98.1 | 0 | 0 | 0 | 110.2 | D386 L488 | D386-F486 WeakPolarHBondContact CA-O 3.29Å; D386-F486 PolarHBondContact O-N 3.25Å; F486-L488 HydrophobicContact CE1-CD2 3.7Å; F486-L488 HydrophobicContact CE1-CG 4.06Å; F486-L488 HydrophobicContact CZ-CD2 4.35Å | ||
| 487 | K | 89 | Confident | 89.8 | Confident | 35 Ų | 35 | 50.3 Ų | 50.3 | 15% | 0.152 | 24% | 0.244 | C | C | . | . | trans | -113 | 121.3 | 178.6 | -174.2 | 159.9 | -179.1 | 162.9 | 0 | 110.5 | R276 F485 E490 | R276-K487 HydrophobicContact CB-CD 4.48Å; F485-K487 HydrophobicContact CE1-CB 4.02Å; F485-K487 HydrophobicContact CZ-CB 4.01Å; F485-K487 HydrophobicContact CZ-CD 4.47Å; K487-E490 WeakPolarHBondContact CE-OE1 3.28Å; K487-E490 IonicContact NZ-OE1 3.39Å; K487-E490 PolarHBondContact NZ-OE1 3.22Å | ||
| 488 | L | 80.1 | Confident | 89.2 | Confident | 129 Ų | 129 | 54 Ų | 54 | 68% | 0.675 | 26% | 0.261 | S | S | * | . | trans | -64.1 | 152.1 | 171.5 | -70.8 | 167 | 0 | 0 | 0 | 109.9 | F486 E490 | F486-L488 HydrophobicContact CE1-CD2 3.7Å; F486-L488 HydrophobicContact CE1-CG 4.06Å; F486-L488 HydrophobicContact CZ-CD2 4.35Å; L488-E490 PolarHBondContact O-N 2.95Å; L488-E490 VanDerWaalsContact O-N 3.13Å | ||
| 489 | N | 66.8 | Low | 88.6 | Confident | 128 Ų | 128 | 57.8 Ų | 57.8 | 68% | 0.684 | 28% | 0.277 | S | S | * | . | trans | -56.2 | 120.6 | 176.8 | -71.5 | -23.1 | 0 | 0 | 0 | 109.5 | K277 | K277-N489 WeakPolarHBondContact CE-OD1 3.36Å; K277-N489 PolarHBondContact NZ-OD1 2.97Å | ||
| 490 | E | 52.4 | Low | 87.8 | Confident | 189 Ų | 189 | 63.1 Ų | 63.1 | 88% | 0.883 | 30% | 0.303 | S | S | * | . | trans | -73.3 | 0 | 156.6 | -82.2 | 172.6 | -163.1 | 0 | 0 | 109.5 | R276 K487 L488 | R276-E490 IonicContact CZ-OE2 2.76Å; R276-E490 IonicContact NH1-OE2 2.73Å; R276-E490 PolarHBondContact NH1-OE2 2.84Å; K487-E490 WeakPolarHBondContact CE-OE1 3.28Å; K487-E490 IonicContact NZ-OE1 3.39Å; K487-E490 PolarHBondContact NZ-OE1 3.22Å; L488-E490 PolarHBondContact O-N 2.95Å; L488-E490 VanDerWaalsContact O-N 3.13Å |
Retrieved 490 of 490 residues in 592 ms
(Link to these results)