| 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 | 46.4 | Very low | 61.8 | Low | 251 Ų | 251 | 131.6 Ų | 131.6 | 100% | 1.236 | 71% | 0.714 | S | S | * | * | 0 | 105.5 | 0 | -108.5 | 180 | -120 | 0 | 0 | 108.5 | |||||
| 2 | A | 40.5 | Very low | 63.3 | Low | 97 Ų | 97 | 124.7 Ų | 124.7 | 80% | 0.802 | 69% | 0.688 | S | S | * | * | trans | -151.4 | 77.2 | 165.4 | 0 | 0 | 0 | 0 | 0 | 107.1 | R4 | A2-R4 PolarHBondContact O-N 3.06Š| ||
| 3 | A | 45 | Very low | 64.6 | Low | 93 Ų | 93 | 123.5 Ų | 123.5 | 77% | 0.769 | 68% | 0.679 | S | S | * | * | trans | -66.9 | 104.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 107.5 | R5 | A3-R5 VanDerWaalsContact C-N 3.31Å; A3-R5 PolarHBondContact O-N 3.18Å | ||
| 4 | R | 53.2 | Low | 65.9 | Low | 248 Ų | 248 | 121.8 Ų | 121.8 | 94% | 0.936 | 67% | 0.667 | S | S | * | * | trans | -62 | 98.1 | 167.3 | -80.3 | -177.2 | 174.2 | -176.2 | -1.6 | 107 | A2 C6 | A2-R4 PolarHBondContact O-N 3.06Å; R4-C6 PolarHBondContact O-N 2.9Å | ||
| 5 | R | 58.6 | Low | 67.1 | Low | 238 Ų | 238 | 118.7 Ų | 118.7 | 90% | 0.898 | 65% | 0.653 | S | S | * | * | trans | -65 | 112.1 | 172.9 | -71 | -177.6 | 175.6 | -175.1 | -1.7 | 107.3 | A3 S7 | A3-R5 VanDerWaalsContact C-N 3.31Å; A3-R5 PolarHBondContact O-N 3.18Å; R5-S7 PolarHBondContact O-N 3.12Å | ||
| 6 | C | 57.4 | Low | 68.1 | Low | 79 Ų | 79 | 118.3 Ų | 118.3 | 53% | 0.534 | 65% | 0.649 | S | S | . | * | trans | -51 | 126.2 | 165.8 | -100.9 | 0 | 0 | 0 | 0 | 108.2 | R4 V11 | R4-C6 PolarHBondContact O-N 2.9Å; C6-V11 HydrophobicContact CB-CG2 4.13Å | ||
| 7 | S | 76.1 | Confident | 69.1 | Low | 57 Ų | 57 | 118.6 Ų | 118.6 | 40% | 0.399 | 65% | 0.649 | S | S | . | * | trans | -65.7 | 150.4 | 176.4 | 69.9 | 0 | 0 | 0 | 0 | 109.6 | R5 L9 Q10 V11 | R5-S7 PolarHBondContact O-N 3.12Å; S7-L9 PolarHBondContact O-N 3.2Å; S7-Q10 WeakPolarHBondContact O-CB 3.35Å; S7-Q10 PolarHBondContact O-N 3.38Å; S7-Q10 PolarHBondContact OG-N 3.47Å; S7-V11 PolarHBondContact O-N 2.9Å | ||
| 8 | A | 73.1 | Confident | 70 | Confident | 87 Ų | 87 | 116.9 Ų | 116.9 | 72% | 0.719 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -53.5 | -30.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | V11 A12 | A8-V11 PolarHBondContact O-N 2.89Å; A8-A12 WeakPolarHBondContact O-CB 3.35Å; A8-A12 PolarHBondContact O-N 2.8Å |
| 9 | L | 75.6 | Confident | 70.9 | Confident | 124 Ų | 124 | 116.1 Ų | 116.1 | 65% | 0.649 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -67.1 | -39.5 | 175.2 | -169.7 | 69.7 | 0 | 0 | 0 | 112.9 | S7 A12 L13 | S7-L9 PolarHBondContact O-N 3.2Å; L9-A12 PolarHBondContact O-N 2.73Å; L9-L13 HydrophobicContact CG-CD1 4.25Å; L9-L13 WeakPolarHBondContact O-CB 3.47Å; L9-L13 WeakPolarHBondContact O-CG 3.43Å; L9-L13 PolarHBondContact O-N 2.78Å |
| 10 | Q | 75.9 | Confident | 71.5 | Confident | 99 Ų | 99 | 115.3 Ų | 115.3 | 46% | 0.463 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -67.7 | -39.1 | 175.8 | -78.2 | 172.3 | -39.2 | 0 | 0 | 111.6 | S7 L13 I14 | S7-Q10 WeakPolarHBondContact O-CB 3.35Å; S7-Q10 PolarHBondContact O-N 3.38Å; S7-Q10 PolarHBondContact OG-N 3.47Å; Q10-L13 PolarHBondContact O-N 2.74Å; Q10-I14 WeakPolarHBondContact O-CB 3.46Å; Q10-I14 WeakPolarHBondContact O-CD1 3.26Å; Q10-I14 WeakPolarHBondContact O-CG1 3.49Å; Q10-I14 PolarHBondContact O-N 2.78Å |
| 11 | V | 78.3 | Confident | 72.1 | Confident | 75 Ų | 75 | 113.6 Ų | 113.6 | 46% | 0.455 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -64.7 | -43.8 | 174.3 | -179.3 | 0 | 0 | 0 | 0 | 110.4 | C6 S7 A8 L13 I14 V15 | C6-V11 HydrophobicContact CB-CG2 4.13Å; S7-V11 PolarHBondContact O-N 2.9Å; A8-V11 PolarHBondContact O-N 2.89Å; V11-L13 PolarHBondContact O-N 3.47Å; V11-I14 PolarHBondContact O-N 2.81Å; V11-V15 HydrophobicContact CG1-CG2 4.46Å; V11-V15 VanDerWaalsContact O-CG2 3.27Å; V11-V15 WeakPolarHBondContact O-CG2 3.46Å; V11-V15 PolarHBondContact O-N 2.78Å |
| 12 | A | 79.8 | Confident | 73.9 | Confident | 48 Ų | 48 | 104.4 Ų | 104.4 | 40% | 0.397 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -61.8 | -43.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A8 L9 V15 L16 | A8-A12 WeakPolarHBondContact O-CB 3.35Å; A8-A12 PolarHBondContact O-N 2.8Å; L9-A12 PolarHBondContact O-N 2.73Å; A12-V15 PolarHBondContact O-N 3.25Å; A12-L16 WeakPolarHBondContact O-CB 3.34Å; A12-L16 PolarHBondContact O-N 3.5Å |
| 13 | L | 80.3 | Confident | 76.2 | Confident | 109 Ų | 109 | 103.3 Ų | 103.3 | 57% | 0.571 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -65 | -39.8 | 177 | -80.9 | 163.4 | 0 | 0 | 0 | 112.6 | L9 Q10 V11 L16 L17 | L9-L13 HydrophobicContact CG-CD1 4.25Å; L9-L13 WeakPolarHBondContact O-CB 3.47Å; L9-L13 WeakPolarHBondContact O-CG 3.43Å; L9-L13 PolarHBondContact O-N 2.78Å; Q10-L13 PolarHBondContact O-N 2.74Å; V11-L13 PolarHBondContact O-N 3.47Å; L13-L16 PolarHBondContact O-N 2.96Å; L13-L17 WeakPolarHBondContact O-CB 3.49Å; L13-L17 PolarHBondContact O-N 2.9Å |
| 14 | I | 82.7 | Confident | 77.9 | Confident | 100 Ų | 100 | 101.7 Ų | 101.7 | 51% | 0.513 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -65.2 | -43.4 | 175.7 | -69.2 | 165.4 | 0 | 0 | 0 | 110.3 | Q10 V11 L16 L17 V18 | Q10-I14 WeakPolarHBondContact O-CB 3.46Å; Q10-I14 WeakPolarHBondContact O-CD1 3.26Å; Q10-I14 WeakPolarHBondContact O-CG1 3.49Å; Q10-I14 PolarHBondContact O-N 2.78Å; V11-I14 PolarHBondContact O-N 2.81Å; I14-L16 PolarHBondContact O-N 3.33Å; I14-L17 PolarHBondContact O-N 3.06Å; I14-V18 HydrophobicContact CG2-CG2 4.47Å; I14-V18 VanDerWaalsContact O-CG2 3.26Å; I14-V18 WeakPolarHBondContact O-CG2 3.43Å; I14-V18 PolarHBondContact O-N 2.94Å |
| 15 | V | 83.9 | Confident | 79.3 | Confident | 76 Ų | 76 | 94 Ų | 94 | 46% | 0.461 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.6 | -43.6 | 176.7 | 171 | 0 | 0 | 0 | 0 | 111 | V11 A12 L17 V18 I19 | V11-V15 HydrophobicContact CG1-CG2 4.46Å; V11-V15 VanDerWaalsContact O-CG2 3.27Å; V11-V15 WeakPolarHBondContact O-CG2 3.46Å; V11-V15 PolarHBondContact O-N 2.78Å; A12-V15 PolarHBondContact O-N 3.25Å; V15-L17 PolarHBondContact O-N 2.9Å; V15-V18 PolarHBondContact O-N 2.87Å; V15-I19 HydrophobicContact CG1-CD1 3.71Å; V15-I19 HydrophobicContact CG1-CG1 4.44Å; V15-I19 VanDerWaalsContact O-CG1 3.25Å; V15-I19 WeakPolarHBondContact O-CG1 3.27Å; V15-I19 PolarHBondContact O-N 2.87Å |
| 16 | L | 83.1 | Confident | 80.3 | Confident | 112 Ų | 112 | 85.1 Ų | 85.1 | 59% | 0.586 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.7 | -41.4 | 177.1 | -120.8 | 132.8 | 0 | 0 | 0 | 112.1 | A12 L13 I14 I19 M20 | A12-L16 WeakPolarHBondContact O-CB 3.34Å; A12-L16 PolarHBondContact O-N 3.5Å; L13-L16 PolarHBondContact O-N 2.96Å; I14-L16 PolarHBondContact O-N 3.33Å; L16-I19 PolarHBondContact O-N 3.35Å; L16-M20 VanDerWaalsContact O-CB 3.3Å; L16-M20 WeakPolarHBondContact O-CB 3.25Å; L16-M20 WeakPolarHBondContact O-CG 3.43Å; L16-M20 PolarHBondContact O-N 3.34Å |
| 17 | L | 84.2 | Confident | 81.2 | Confident | 124 Ų | 124 | 86 Ų | 86 | 65% | 0.649 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.1 | -45.9 | 176.5 | -167.9 | 82 | 0 | 0 | 0 | 110.9 | L13 I14 V15 M20 T21 | L13-L17 WeakPolarHBondContact O-CB 3.49Å; L13-L17 PolarHBondContact O-N 2.9Å; I14-L17 PolarHBondContact O-N 3.06Å; V15-L17 PolarHBondContact O-N 2.9Å; L17-M20 PolarHBondContact O-N 3.27Å; L17-T21 PolarHBondContact O-N 3.39Å; L17-T21 PolarHBondContact O-OG1 3.4Å |
| 18 | V | 86.2 | Confident | 81.3 | Confident | 88 Ų | 88 | 88 Ų | 88 | 53% | 0.533 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.9 | -42.2 | 178.7 | 171.5 | 0 | 0 | 0 | 0 | 111.4 | I14 V15 T21 A22 | I14-V18 HydrophobicContact CG2-CG2 4.47Å; I14-V18 VanDerWaalsContact O-CG2 3.26Å; I14-V18 WeakPolarHBondContact O-CG2 3.43Å; I14-V18 PolarHBondContact O-N 2.94Å; V15-V18 PolarHBondContact O-N 2.87Å; V18-T21 WeakPolarHBondContact CA-OG1 3.27Å; V18-T21 PolarHBondContact O-N 3.34Å; V18-T21 PolarHBondContact O-OG1 3.33Å; V18-A22 WeakPolarHBondContact O-CB 3.25Å; V18-A22 PolarHBondContact O-N 2.7Å |
| 19 | I | 86.9 | Confident | 81.3 | Confident | 100 Ų | 100 | 87.2 Ų | 87.2 | 51% | 0.513 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.1 | -45.4 | 175.8 | -68.5 | 167.4 | 0 | 0 | 0 | 110.3 | V15 L16 T21 A22 V23 | V15-I19 HydrophobicContact CG1-CD1 3.71Å; V15-I19 HydrophobicContact CG1-CG1 4.44Å; V15-I19 VanDerWaalsContact O-CG1 3.25Å; V15-I19 WeakPolarHBondContact O-CG1 3.27Å; V15-I19 PolarHBondContact O-N 2.87Å; L16-I19 PolarHBondContact O-N 3.35Å; I19-T21 VanDerWaalsContact C-N 3.34Å; I19-T21 PolarHBondContact O-N 3.32Å; I19-A22 PolarHBondContact O-N 3.24Å; I19-V23 HydrophobicContact CG2-CG2 4.32Å; I19-V23 WeakPolarHBondContact O-CB 3.44Å; I19-V23 VanDerWaalsContact O-CG2 3.27Å; I19-V23 WeakPolarHBondContact O-CG2 3.47Å; I19-V23 PolarHBondContact O-N 2.65Å |
| 20 | M | 82.3 | Confident | 81.2 | Confident | 101 Ų | 101 | 86 Ų | 86 | 50% | 0.498 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.6 | -42.2 | 176.8 | -85.4 | -99.6 | 32.7 | 0 | 0 | 112.2 | L16 L17 V23 C24 | L16-M20 VanDerWaalsContact O-CB 3.3Å; L16-M20 WeakPolarHBondContact O-CB 3.25Å; L16-M20 WeakPolarHBondContact O-CG 3.43Å; L16-M20 PolarHBondContact O-N 3.34Å; L17-M20 PolarHBondContact O-N 3.27Å; M20-V23 PolarHBondContact O-N 3.17Å; M20-C24 WeakPolarHBondContact O-CB 3.24Å; M20-C24 PolarHBondContact O-N 2.82Å; M20-C24 PolarHBondContact O-SG 3.41Å; M20-C24 VanDerWaalsContact O-SG 3.4Å |
| 21 | T | 84.9 | Confident | 80.8 | Confident | 80 Ų | 80 | 87.9 Ų | 87.9 | 49% | 0.491 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.7 | -42.6 | 176.1 | 7.5 | 0 | 0 | 0 | 0 | 111.4 | L17 V18 I19 V23 C24 V25 | L17-T21 PolarHBondContact O-N 3.39Å; L17-T21 PolarHBondContact O-OG1 3.4Å; V18-T21 WeakPolarHBondContact CA-OG1 3.27Å; V18-T21 PolarHBondContact O-N 3.34Å; V18-T21 PolarHBondContact O-OG1 3.33Å; I19-T21 VanDerWaalsContact C-N 3.34Å; I19-T21 PolarHBondContact O-N 3.32Å; T21-V23 VanDerWaalsContact C-N 3.34Å; T21-V23 PolarHBondContact O-N 3.33Å; T21-C24 PolarHBondContact O-N 3.48Å; T21-V25 WeakPolarHBondContact O-CB 3.29Å; T21-V25 VanDerWaalsContact O-CG2 3.25Å; T21-V25 WeakPolarHBondContact O-CG2 3.29Å; T21-V25 PolarHBondContact O-N 2.83Å |
| 22 | A | 84.9 | Confident | 79.9 | Confident | 58 Ų | 58 | 89.2 Ų | 89.2 | 48% | 0.479 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.6 | -40.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V18 I19 A26 | V18-A22 WeakPolarHBondContact O-CB 3.25Å; V18-A22 PolarHBondContact O-N 2.7Å; I19-A22 PolarHBondContact O-N 3.24Å; A22-A26 VanDerWaalsContact O-CB 3.27Å; A22-A26 WeakPolarHBondContact O-CB 3.43Å; A22-A26 PolarHBondContact O-N 2.88Å |
| 23 | V | 87.4 | Confident | 78.5 | Confident | 73 Ų | 73 | 91.5 Ų | 91.5 | 44% | 0.442 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67.7 | -43.7 | 176.4 | 171 | 0 | 0 | 0 | 0 | 111.2 | I19 M20 T21 A26 L27 | I19-V23 HydrophobicContact CG2-CG2 4.32Å; I19-V23 WeakPolarHBondContact O-CB 3.44Å; I19-V23 VanDerWaalsContact O-CG2 3.27Å; I19-V23 WeakPolarHBondContact O-CG2 3.47Å; I19-V23 PolarHBondContact O-N 2.65Å; M20-V23 PolarHBondContact O-N 3.17Å; T21-V23 VanDerWaalsContact C-N 3.34Å; T21-V23 PolarHBondContact O-N 3.33Å; V23-A26 PolarHBondContact O-N 3.21Å; V23-L27 HydrophobicContact CG1-CD1 3.93Å; V23-L27 WeakPolarHBondContact O-CB 3.25Å; V23-L27 PolarHBondContact O-N 2.8Å |
| 24 | C | 81.5 | Confident | 76.7 | Confident | 60 Ų | 60 | 88.8 Ų | 88.8 | 41% | 0.405 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.8 | -42.5 | 175.3 | -76.9 | 0 | 0 | 0 | 0 | 112.1 | M20 T21 L27 I28 | M20-C24 WeakPolarHBondContact O-CB 3.24Å; M20-C24 PolarHBondContact O-N 2.82Å; M20-C24 PolarHBondContact O-SG 3.41Å; M20-C24 VanDerWaalsContact O-SG 3.4Å; T21-C24 PolarHBondContact O-N 3.48Å; C24-L27 PolarHBondContact O-N 2.83Å; C24-I28 WeakPolarHBondContact O-CB 3.35Å; C24-I28 VanDerWaalsContact O-CG1 3.24Å; C24-I28 WeakPolarHBondContact O-CG1 3.46Å; C24-I28 PolarHBondContact O-N 3.37Å |
| 25 | V | 82.6 | Confident | 74.7 | Confident | 85 Ų | 85 | 92.7 Ų | 92.7 | 52% | 0.515 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.4 | -42.3 | 176 | 172.5 | 0 | 0 | 0 | 0 | 110.6 | T21 L27 I28 V29 | T21-V25 WeakPolarHBondContact O-CB 3.29Å; T21-V25 VanDerWaalsContact O-CG2 3.25Å; T21-V25 WeakPolarHBondContact O-CG2 3.29Å; T21-V25 PolarHBondContact O-N 2.83Å; V25-L27 PolarHBondContact O-N 3.04Å; V25-I28 PolarHBondContact O-N 3.18Å; V25-V29 HydrophobicContact CG1-CG2 4.38Å; V25-V29 WeakPolarHBondContact O-CB 3.23Å; V25-V29 VanDerWaalsContact O-CG2 3.25Å; V25-V29 WeakPolarHBondContact O-CG2 3.47Å; V25-V29 PolarHBondContact O-N 3.3Å |
| 26 | A | 79.3 | Confident | 72.6 | Confident | 53 Ų | 53 | 99 Ų | 99 | 44% | 0.438 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -63.6 | -39.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | A22 V23 V29 V30 | A22-A26 VanDerWaalsContact O-CB 3.27Å; A22-A26 WeakPolarHBondContact O-CB 3.43Å; A22-A26 PolarHBondContact O-N 2.88Å; V23-A26 PolarHBondContact O-N 3.21Å; A26-V29 PolarHBondContact O-N 2.98Å; A26-V30 WeakPolarHBondContact O-CB 3.35Å; A26-V30 VanDerWaalsContact O-CG2 3.24Å; A26-V30 WeakPolarHBondContact O-CG2 3.3Å; A26-V30 PolarHBondContact O-N 2.7Å |
| 27 | L | 76.4 | Confident | 70.5 | Confident | 96 Ų | 96 | 100.4 Ų | 100.4 | 50% | 0.503 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -66.3 | -42 | 174.2 | -95.1 | 152.1 | 0 | 0 | 0 | 112.2 | V23 C24 V25 V29 V30 L31 | V23-L27 HydrophobicContact CG1-CD1 3.93Å; V23-L27 WeakPolarHBondContact O-CB 3.25Å; V23-L27 PolarHBondContact O-N 2.8Å; C24-L27 PolarHBondContact O-N 2.83Å; V25-L27 PolarHBondContact O-N 3.04Å; L27-V29 VanDerWaalsContact C-N 3.34Å; L27-V30 PolarHBondContact O-N 3.48Å; L27-L31 VanDerWaalsContact O-CB 3.27Å; L27-L31 WeakPolarHBondContact O-CB 3.05Å; L27-L31 WeakPolarHBondContact O-CD1 3.33Å; L27-L31 WeakPolarHBondContact O-CG 3.3Å; L27-L31 PolarHBondContact O-N 3.17Å |
| 28 | I | 77.9 | Confident | 68.3 | Low | 100 Ų | 100 | 98.9 Ų | 98.9 | 51% | 0.513 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -64.4 | -41.3 | 174.6 | -69.3 | 165.4 | 0 | 0 | 0 | 110.2 | C24 V25 L31 T32 | C24-I28 WeakPolarHBondContact O-CB 3.35Å; C24-I28 VanDerWaalsContact O-CG1 3.24Å; C24-I28 WeakPolarHBondContact O-CG1 3.46Å; C24-I28 PolarHBondContact O-N 3.37Å; V25-I28 PolarHBondContact O-N 3.18Å; I28-L31 PolarHBondContact O-N 3.37Å; I28-T32 HydrophobicContact CG2-CG2 4.19Å; I28-T32 VanDerWaalsContact O-CB 3.29Å; I28-T32 WeakPolarHBondContact O-CB 3.13Å; I28-T32 VanDerWaalsContact O-CG2 3.25Å; I28-T32 WeakPolarHBondContact O-CG2 3.36Å; I28-T32 PolarHBondContact O-N 3.5Å; I28-T32 PolarHBondContact O-OG1 2.82Å |
| 29 | V | 74.4 | Confident | 66.2 | Low | 71 Ų | 71 | 99 Ų | 99 | 43% | 0.43 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -62.1 | -48.6 | 173.9 | 171.2 | 0 | 0 | 0 | 0 | 109.9 | V25 A26 L27 L31 T32 T33 | V25-V29 HydrophobicContact CG1-CG2 4.38Å; V25-V29 WeakPolarHBondContact O-CB 3.23Å; V25-V29 VanDerWaalsContact O-CG2 3.25Å; V25-V29 WeakPolarHBondContact O-CG2 3.47Å; V25-V29 PolarHBondContact O-N 3.3Å; A26-V29 PolarHBondContact O-N 2.98Å; L27-V29 VanDerWaalsContact C-N 3.34Å; V29-L31 VanDerWaalsContact C-N 3.31Å; V29-L31 PolarHBondContact O-N 3.1Å; V29-T32 WeakPolarHBondContact CA-OG1 3.37Å; V29-T32 CarbonylContact O-C 3.54Å; V29-T32 PolarHBondContact O-N 2.85Å; V29-T32 VanDerWaalsContact O-N 3.17Å; V29-T32 PolarHBondContact O-OG1 2.91Å; V29-T33 HydrophobicContact CG1-CG2 3.98Å; V29-T33 WeakPolarHBondContact O-CA 3.44Å; V29-T33 VanDerWaalsContact O-CB 3.29Å; V29-T33 WeakPolarHBondContact O-CB 3.45Å; V29-T33 WeakPolarHBondContact O-CG2 3.45Å; V29-T33 PolarHBondContact O-N 3.36Å; V29-T33 PolarHBondContact O-OG1 3.45Å |
| 30 | V | 72.1 | Confident | 64.2 | Low | 98 Ų | 98 | 99.2 Ų | 99.2 | 59% | 0.594 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -63.1 | -35 | 177.7 | 170.6 | 0 | 0 | 0 | 0 | 112.7 | A26 L27 G34 | A26-V30 WeakPolarHBondContact O-CB 3.35Å; A26-V30 VanDerWaalsContact O-CG2 3.24Å; A26-V30 WeakPolarHBondContact O-CG2 3.3Å; A26-V30 PolarHBondContact O-N 2.7Å; L27-V30 PolarHBondContact O-N 3.48Å; V30-G34 PolarHBondContact O-N 3.32Å |
| 31 | L | 67.6 | Low | 62.2 | Low | 138 Ų | 138 | 97 Ų | 97 | 72% | 0.723 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -74.4 | -30.6 | 175.8 | -73.1 | 166.5 | 0 | 0 | 0 | 112.7 | L27 I28 V29 | L27-L31 VanDerWaalsContact O-CB 3.27Å; L27-L31 WeakPolarHBondContact O-CB 3.05Å; L27-L31 WeakPolarHBondContact O-CD1 3.33Å; L27-L31 WeakPolarHBondContact O-CG 3.3Å; L27-L31 PolarHBondContact O-N 3.17Å; I28-L31 PolarHBondContact O-N 3.37Å; V29-L31 VanDerWaalsContact C-N 3.31Å; V29-L31 PolarHBondContact O-N 3.1Å |
| 32 | T | 59.9 | Low | 60 | Low | 104 Ų | 104 | 100 Ų | 100 | 64% | 0.638 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -93.4 | -20.2 | 179.5 | 55.2 | 0 | 0 | 0 | 0 | 113.5 | I28 V29 | I28-T32 HydrophobicContact CG2-CG2 4.19Å; I28-T32 VanDerWaalsContact O-CB 3.29Å; I28-T32 WeakPolarHBondContact O-CB 3.13Å; I28-T32 VanDerWaalsContact O-CG2 3.25Å; I28-T32 WeakPolarHBondContact O-CG2 3.36Å; I28-T32 PolarHBondContact O-N 3.5Å; I28-T32 PolarHBondContact O-OG1 2.82Å; V29-T32 WeakPolarHBondContact CA-OG1 3.37Å; V29-T32 CarbonylContact O-C 3.54Å; V29-T32 PolarHBondContact O-N 2.85Å; V29-T32 VanDerWaalsContact O-N 3.17Å; V29-T32 PolarHBondContact O-OG1 2.91Å |
| 33 | T | 50.2 | Low | 58.8 | Low | 96 Ų | 96 | 102.2 Ų | 102.2 | 59% | 0.589 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -106.6 | 13 | 173.6 | 72.7 | 0 | 0 | 0 | 0 | 112.3 | V29 K35 | V29-T33 HydrophobicContact CG1-CG2 3.98Å; V29-T33 WeakPolarHBondContact O-CA 3.44Å; V29-T33 VanDerWaalsContact O-CB 3.29Å; V29-T33 WeakPolarHBondContact O-CB 3.45Å; V29-T33 WeakPolarHBondContact O-CG2 3.45Å; V29-T33 PolarHBondContact O-N 3.36Å; V29-T33 PolarHBondContact O-OG1 3.45Å; T33-K35 PolarHBondContact O-N 2.87Å |
| 34 | G | 42.2 | Very low | 57.7 | Low | 51 Ų | 51 | 100.5 Ų | 100.5 | 53% | 0.526 | 61% | 0.614 | S | S | . | * | S | Bend | trans | -50 | 116.2 | 164.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | V30 K36 | V30-G34 PolarHBondContact O-N 3.32Å; G34-K36 PolarHBondContact O-N 2.93Å |
| 35 | K | 40.7 | Very low | 57.8 | Low | 183 Ų | 183 | 103.8 Ų | 103.8 | 80% | 0.796 | 63% | 0.632 | S | S | * | * | trans | -7.9 | 104.4 | -177.9 | -77.4 | 173.2 | 172.1 | 176.8 | 0 | 113.2 | T33 D37 | T33-K35 PolarHBondContact O-N 2.87Å; K35-D37 PolarHBondContact O-N 3.31Å | ||
| 36 | K | 40.2 | Very low | 58.3 | Low | 209 Ų | 209 | 102 Ų | 102 | 91% | 0.909 | 62% | 0.622 | S | S | * | * | trans | -59.5 | 98.3 | 146.6 | -77.5 | -175.3 | 176.3 | -177.8 | 0 | 105 | G34 A38 | G34-K36 PolarHBondContact O-N 2.93Å; K36-A38 PolarHBondContact O-N 3.07Å | ||
| 37 | D | 39.5 | Very low | 59.2 | Low | 140 Ų | 140 | 100 Ų | 100 | 75% | 0.749 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -48.9 | 128.3 | 167 | -75.6 | -38.9 | 0 | 0 | 0 | 107.1 | K35 A39 | K35-D37 PolarHBondContact O-N 3.31Å; D37-A39 PolarHBondContact O-N 3.29Å; D37-A39 VanDerWaalsContact O-N 3.12Å |
| 38 | A | 38 | Very low | 60.2 | Low | 93 Ų | 93 | 98.6 Ų | 98.6 | 77% | 0.769 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 123.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | K36 | K36-A38 PolarHBondContact O-N 3.07Š|
| 39 | A | 41.8 | Very low | 61.2 | Low | 89 Ų | 89 | 93.8 Ų | 93.8 | 74% | 0.736 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -49.7 | 128.1 | 169.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | D37 G41 | D37-A39 PolarHBondContact O-N 3.29Å; D37-A39 VanDerWaalsContact O-N 3.12Å; A39-G41 PolarHBondContact O-N 3.02Å |
| 40 | P | 44.8 | Very low | 62.3 | Low | 105 Ų | 105 | 90.4 Ų | 90.4 | 68% | 0.682 | 55% | 0.551 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 139.3 | 175.1 | -18.7 | 29.5 | 0 | 0 | 0 | 108.6 | ||
| 41 | G | 39.3 | Very low | 63.6 | Low | 56 Ų | 56 | 86.4 Ų | 86.4 | 58% | 0.577 | 53% | 0.526 | S | S | * | . | S | Bend | trans | -54.1 | 178.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | A39 Q43 | A39-G41 PolarHBondContact O-N 3.02Å; G41-Q43 PolarHBondContact O-N 3.19Å |
| 42 | P | 39.4 | Very low | 65.1 | Low | 141 Ų | 141 | 79.9 Ų | 79.9 | 92% | 0.916 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -47.8 | 106.1 | -159.1 | 22.1 | -33 | 0 | 0 | 0 | 111.9 | G44 | P42-G44 PolarHBondContact O-N 3.3Š|
| 43 | Q | 59.3 | Low | 66.9 | Low | 105 Ų | 105 | 76 Ų | 76 | 49% | 0.491 | 47% | 0.466 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 130.9 | -177.4 | -71 | 179.2 | -17.9 | 0 | 0 | 109 | G41 R185 | G41-Q43 PolarHBondContact O-N 3.19Å; Q43-R185 VanDerWaalsContact CB-NH2 3.28Å |
| 44 | G | 65.7 | Low | 69.2 | Low | 38 Ų | 38 | 71.6 Ų | 71.6 | 39% | 0.392 | 44% | 0.439 | S | S | . | . | P | Polyproline II helix | trans | -55 | 157.1 | 173 | 0 | 0 | 0 | 0 | 0 | 111.7 | P42 R185 | P42-G44 PolarHBondContact O-N 3.3Å; G44-R185 PolarHBondContact O-NH1 3.38Å |
| 45 | T | 83.5 | Confident | 71.9 | Confident | 129 Ų | 129 | 69.4 Ų | 69.4 | 79% | 0.791 | 42% | 0.415 | S | S | * | . | P | Polyproline II helix | trans | -51.9 | 126.4 | 177.8 | -48.8 | 0 | 0 | 0 | 0 | 109.8 | ||
| 46 | P | 92.4 | Very high | 74.7 | Confident | 46 Ų | 46 | 60.8 Ų | 60.8 | 30% | 0.299 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 152.2 | 177.6 | 28.2 | -34.7 | 0 | 0 | 0 | 110.4 | G184 L232 | P46-G184 WeakPolarHBondContact CB-O 3.45Å; P46-L232 HydrophobicContact CB-CD2 4Å; P46-L232 HydrophobicContact CG-CD2 4.34Å |
| 47 | Y | 97.4 | Very high | 77.5 | Confident | 11 Ų | 11 | 50.9 Ų | 50.9 | 4% | 0.043 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 160.7 | 169.4 | -54.7 | -79.1 | 0 | 0 | 0 | 109.8 | I89 D90 D91 P183 G184 I186 V362 T363 G364 V366 | Y47-I89 HydrophobicContact CD1-CG2 3.88Å; Y47-I89 HydrophobicContact CG-CG2 3.87Å; Y47-D90 CarbonylContact C-O 3.24Å; Y47-D90 WeakPolarHBondContact CA-O 3.41Å; Y47-D90 WeakPolarHBondContact CB-O 3.36Å; Y47-D91 HydrophobicContact CD1-CB 4.03Å; Y47-D91 HydrophobicContact CE1-CB 4.18Å; Y47-P183 CarbonylContact O-C 3.51Å; Y47-P183 VanDerWaalsContact O-CA 3.3Å; Y47-P183 WeakPolarHBondContact O-CA 3.41Å; Y47-G184 PolarHBondContact N-O 3.39Å; Y47-G184 VanDerWaalsContact N-O 3.1Å; Y47-G184 PolarHBondContact O-N 2.89Å; Y47-I186 HydrophobicContact CD2-CD1 3.76Å; Y47-I186 HydrophobicContact CD2-CG1 3.99Å; Y47-I186 HydrophobicContact CE2-CD1 3.98Å; Y47-I186 HydrophobicContact CE2-CG1 4.27Å; Y47-I186 HydrophobicContact CG-CD1 4.38Å; Y47-V362 VanDerWaalsContact CE2-O 3.23Å; Y47-V362 WeakPolarHBondContact CE2-O 3.28Å; Y47-V362 PolarHBondContact OH-O 2.9Å; Y47-T363 WeakPolarHBondContact OH-CA 3.36Å; Y47-G364 WeakPolarHBondContact CE1-O 3.28Å; Y47-G364 PolarHBondContact OH-N 3.07Å; Y47-G364 PolarHBondContact OH-O 2.88Å; Y47-G364 VanDerWaalsContact OH-O 3.07Å; Y47-V366 HydrophobicContact CD1-CG2 4.43Å; Y47-V366 HydrophobicContact CE1-CG2 4.29Å |
| 48 | L | 98 | Very high | 80.1 | Confident | 67 Ų | 67 | 44.3 Ų | 44.3 | 35% | 0.351 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 124.9 | 154.8 | -60.4 | 172.2 | 0 | 0 | 0 | 108.3 | D90 M181 P183 | L48-D90 HydrophobicContact CB-CB 4.18Å; L48-D90 PolarHBondContact N-O 2.91Å; L48-D90 PolarHBondContact O-N 3.14Å; L48-M181 HydrophobicContact CB-CE 3.41Å; L48-M181 VanDerWaalsContact CB-CE 3.41Å; L48-M181 HydrophobicContact CD1-CE 3.98Å; L48-M181 HydrophobicContact CG-CE 4.35Å; L48-P183 HydrophobicContact CD2-CB 4.41Å; L48-P183 HydrophobicContact CD2-CG 3.8Å |
| 49 | I | 98.5 | Very high | 82.9 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 126.2 | -174.6 | -53.3 | 171.6 | 0 | 0 | 0 | 108.9 | I88 M181 K182 I186 F229 I237 | I49-I88 CarbonylContact C-O 3.56Å; I49-I88 WeakPolarHBondContact CA-O 3.37Å; I49-M181 CarbonylContact O-C 3.35Å; I49-M181 WeakPolarHBondContact O-CA 3.37Å; I49-K182 PolarHBondContact N-O 2.92Å; I49-K182 PolarHBondContact O-N 3.45Å; I49-I186 HydrophobicContact CD1-CD1 4.24Å; I49-I186 HydrophobicContact CD1-CG1 3.63Å; I49-I186 HydrophobicContact CG1-CG1 4.47Å; I49-F229 HydrophobicContact CD1-CD1 4.26Å; I49-F229 HydrophobicContact CG2-CB 4.18Å; I49-F229 HydrophobicContact CG2-CD1 3.63Å; I49-F229 HydrophobicContact CG2-CE1 4.47Å; I49-F229 HydrophobicContact CG2-CG 4.24Å; I49-I237 HydrophobicContact CB-CD1 4.06Å; I49-I237 HydrophobicContact CG2-CD1 3.77Å |
| 50 | G | 98.4 | Very high | 85.5 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 138 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111 | F87 I88 A177 | G50-F87 WeakPolarHBondContact O-CA 3.3Å; G50-I88 PolarHBondContact N-O 3.04Å; G50-I88 PolarHBondContact O-N 3.16Å; G50-A177 WeakPolarHBondContact CA-O 3.45Å |
| 51 | V | 98.8 | Very high | 87.9 | Confident | 13 Ų | 13 | 31 Ų | 31 | 8% | 0.079 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 143 | 174 | -61.9 | 0 | 0 | 0 | 0 | 110 | A86 F87 A177 I237 V285 | V51-A86 WeakPolarHBondContact CA-O 3.27Å; V51-F87 HydrophobicContact CG1-CD1 3.81Å; V51-F87 HydrophobicContact CG1-CE1 4.13Å; V51-A177 WeakPolarHBondContact O-CA 3.49Å; V51-I237 HydrophobicContact CG1-CD1 4.47Å; V51-I237 HydrophobicContact CG1-CG1 4.44Å; V51-I237 HydrophobicContact CG2-CB 4.5Å; V51-I237 WeakPolarHBondContact CG2-O 3.31Å; V51-V285 HydrophobicContact CB-CB 4.15Å; V51-V285 HydrophobicContact CB-CG2 4.08Å; V51-V285 HydrophobicContact CG2-CB 4.49Å; V51-V285 HydrophobicContact CG2-CG2 4.12Å |
| 52 | G | 98.8 | Very high | 90.6 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.01 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 142.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | R85 A86 | G52-R85 CarbonylContact O-C 3.4Å; G52-R85 WeakPolarHBondContact O-CA 3.47Å; G52-A86 PolarHBondContact N-O 3.17Å; G52-A86 PolarHBondContact O-N 3.36Å |
| 53 | R | 98.9 | Very high | 93.3 | Very high | 24 Ų | 24 | 23.6 Ų | 23.6 | 9% | 0.091 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 140.9 | 173.9 | -178.4 | -179 | 57.9 | -101.4 | -14.3 | 108.8 | Y83 S84 R85 I176 E270 G280 Q281 G282 F284 V285 | R53-Y83 HydrophobicContact CG-CD1 3.78Å; R53-Y83 HydrophobicContact CG-CG 4.05Å; R53-S84 VanDerWaalsContact CA-O 3.3Å; R53-S84 WeakPolarHBondContact CA-O 3.39Å; R53-R85 HydrophobicContact CB-CG 4.44Å; R53-R85 HydrophobicContact CG-CG 4.13Å; R53-I176 WeakPolarHBondContact O-CD1 3.11Å; R53-E270 WeakPolarHBondContact CD-OE1 3.34Å; R53-E270 IonicContact CZ-OE1 2.9Å; R53-E270 IonicContact NH1-OE1 2.83Å; R53-E270 PolarHBondContact NH1-OE1 3.37Å; R53-E270 IonicContact NH1-OE2 3.43Å; R53-G280 PolarHBondContact NE-O 3.21Å; R53-G280 VanDerWaalsContact NH2-C 3.28Å; R53-G280 PolarHBondContact NH2-O 2.77Å; R53-Q281 PolarHBondContact NH2-O 3.34Å; R53-G282 PolarHBondContact NH2-O 2.78Å; R53-F284 PolarHBondContact NH1-O 3.09Å; R53-V285 HydrophobicContact CB-CG1 4.29Å; R53-V285 HydrophobicContact CB-CG2 4.1Å |
| 54 | S | 98.8 | Very high | 95.1 | Very high | 3 Ų | 3 | 18.9 Ų | 18.9 | 2% | 0.021 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 143.7 | 171.1 | 178 | 0 | 0 | 0 | 0 | 109.8 | Y83 S84 G169 K172 | S54-Y83 WeakPolarHBondContact O-CA 3.45Å; S54-S84 PolarHBondContact N-O 3.24Å; S54-S84 PolarHBondContact O-N 3.32Å; S54-G169 VanDerWaalsContact CB-O 3.29Å; S54-G169 WeakPolarHBondContact CB-O 3.48Å; S54-K172 WeakPolarHBondContact OG-CD 3.29Å |
| 55 | D | 98.7 | Very high | 96.6 | Very high | 4 Ų | 4 | 17.5 Ų | 17.5 | 2% | 0.021 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.3 | 138.4 | 167.8 | -171.4 | -2.8 | 0 | 0 | 0 | 109.2 | T57 R81 L82 Y83 G169 R633 | D55-T57 WeakPolarHBondContact OD1-CB 3.31Å; D55-T57 PolarHBondContact OD1-N 3.43Å; D55-T57 PolarHBondContact OD1-OG1 2.88Å; D55-R81 IonicContact OD2-CZ 3.12Å; D55-R81 IonicContact OD2-NH1 2.7Å; D55-R81 PolarHBondContact OD2-NH1 3.31Å; D55-L82 VanDerWaalsContact OD1-O 3.08Å; D55-Y83 HydrophobicContact CB-CD1 4.38Å; D55-Y83 HydrophobicContact CB-CE1 4.23Å; D55-G169 VanDerWaalsContact O-CA 3.23Å; D55-G169 WeakPolarHBondContact O-CA 3.33Å; D55-R633 HydrophobicContact CB-CB 4.03Å; D55-R633 HydrophobicContact CB-CG 4.06Å; D55-R633 WeakPolarHBondContact O-CD 3.14Å; D55-R633 WeakPolarHBondContact OD2-CA 3.46Å |
| 56 | C | 98.4 | Very high | 97.3 | Very high | 3 Ų | 3 | 11.8 Ų | 11.8 | 2% | 0.02 | 6% | 0.064 | C | C | . | . | trans | -134.4 | 23 | 175.1 | 70.2 | 0 | 0 | 0 | 0 | 111.8 | L82 L166 | C56-L82 PolarHBondContact N-O 3.18Å; C56-L82 PolarHBondContact SG-O 2.97Å; C56-L82 VanDerWaalsContact SG-O 3.42Å; C56-L166 HydrophobicContact CB-CD1 3.96Å | ||
| 57 | T | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 6% | 0.06 | C | C | . | . | trans | -73.3 | 124.7 | -176.7 | -52 | 0 | 0 | 0 | 0 | 111.6 | D55 I78 R81 L82 P165 V257 | D55-T57 WeakPolarHBondContact OD1-CB 3.31Å; D55-T57 PolarHBondContact OD1-N 3.43Å; D55-T57 PolarHBondContact OD1-OG1 2.88Å; T57-I78 HydrophobicContact CG2-CD1 4.49Å; T57-R81 WeakPolarHBondContact OG1-CD 3.25Å; T57-L82 PolarHBondContact OG1-N 3.43Å; T57-L82 PolarHBondContact OG1-O 3.24Å; T57-P165 WeakPolarHBondContact O-CB 3.37Å; T57-V257 HydrophobicContact CG2-CG1 4.05Å | ||
| 58 | G | 95.8 | Very high | 97.3 | Very high | 3 Ų | 3 | 11.8 Ų | 11.8 | 3% | 0.031 | 7% | 0.065 | C | C | . | . | trans | -81.1 | 177.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 59 | P | 95 | Very high | 97 | Very high | 8 Ų | 8 | 11.3 Ų | 11.3 | 5% | 0.052 | 7% | 0.07 | C | C | . | . | trans | -60.9 | 128.6 | -177.4 | -22.5 | 31.5 | 0 | 0 | 0 | 112.8 | A61 I63 A161 R627 | P59-A61 VanDerWaalsContact C-N 3.27Å; P59-A61 PolarHBondContact O-N 3.11Å; P59-A61 VanDerWaalsContact O-N 3.16Å; P59-I63 HydrophobicContact CB-CD1 3.76Å; P59-I63 HydrophobicContact CG-CD1 3.88Å; P59-A161 WeakPolarHBondContact CD-O 2.91Å; P59-A161 HydrophobicContact CG-CB 4.27Å; P59-R627 HydrophobicContact CB-CG 4.18Å | ||
| 60 | P | 96.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 8% | 0.076 | C | C | . | . | trans | -88.9 | 28.3 | -171.4 | 38.1 | -41.1 | 0 | 0 | 0 | 114.2 | A75 A76 G77 I78 V257 P626 F637 F663 | P60-A75 VanDerWaalsContact C-CB 3.47Å; P60-A75 CarbonylContact O-C 3.6Å; P60-A76 PolarHBondContact O-N 2.81Å; P60-G77 WeakPolarHBondContact CB-O 3.49Å; P60-G77 PolarHBondContact O-N 3.47Å; P60-I78 HydrophobicContact CB-CD1 3.95Å; P60-I78 HydrophobicContact CB-CG1 3.38Å; P60-I78 HydrophobicContact CG-CD1 3.88Å; P60-I78 HydrophobicContact CG-CG1 3.78Å; P60-V257 HydrophobicContact CB-CG2 3.94Å; P60-P626 HydrophobicContact CG-CB 3.83Å; P60-P626 HydrophobicContact CG-CG 4.46Å; P60-F637 HydrophobicContact CG-CD2 4.42Å; P60-F637 HydrophobicContact CG-CE2 3.65Å; P60-F637 HydrophobicContact CG-CZ 4.16Å; P60-F663 HydrophobicContact CG-CE1 4.36Å | ||
| 61 | A | 96.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 131 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | P59 I63 A75 P626 R627 W665 | P59-A61 VanDerWaalsContact C-N 3.27Å; P59-A61 PolarHBondContact O-N 3.11Å; P59-A61 VanDerWaalsContact O-N 3.16Å; A61-I63 PolarHBondContact O-N 3.25Å; A61-A75 CarbonylContact C-O 3.59Å; A61-A75 WeakPolarHBondContact CA-O 3.35Å; A61-P626 HydrophobicContact CB-CB 3.85Å; A61-P626 HydrophobicContact CB-CG 3.8Å; A61-R627 HydrophobicContact CB-CG 4.31Å; A61-R627 VanDerWaalsContact O-CD 3.23Å; A61-R627 WeakPolarHBondContact O-CD 3.38Å; A61-R627 WeakPolarHBondContact O-CG 3.28Å; A61-W665 HydrophobicContact CB-CD2 3.94Å; A61-W665 HydrophobicContact CB-CE3 3.65Å; A61-W665 HydrophobicContact CB-CG 4.47Å; A61-W665 HydrophobicContact CB-CZ3 3.97Å |
| 62 | E | 95.1 | Very high | 95.7 | Very high | 39 Ų | 39 | 24 Ų | 24 | 18% | 0.182 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 61 | -4.1 | 175.4 | -52.8 | -178.1 | 117.6 | 0 | 0 | 116.6 | A75 N625 R627 W665 K667 | E62-A75 PolarHBondContact N-O 3.34Å; E62-N625 PolarHBondContact OE2-ND2 2.89Å; E62-R627 IonicContact OE2-NH1 3.95Å; E62-R627 PolarHBondContact OE2-NH1 3.47Å; E62-W665 HydrophobicContact CG-CH2 3.58Å; E62-W665 HydrophobicContact CG-CZ3 3.47Å; E62-W665 VanDerWaalsContact CG-CZ3 3.47Å; E62-K667 WeakPolarHBondContact OE1-CE 3.33Å; E62-K667 IonicContact OE1-NZ 3.51Å; E62-K667 PolarHBondContact OE1-NZ 3.32Å |
| 63 | I | 95.6 | Very high | 95.5 | Very high | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 132.4 | 175.3 | -57.8 | -170.4 | 0 | 0 | 0 | 108.9 | P59 A61 T74 A75 P142 I159 A162 M586 | P59-I63 HydrophobicContact CB-CD1 3.76Å; P59-I63 HydrophobicContact CG-CD1 3.88Å; A61-I63 PolarHBondContact O-N 3.25Å; I63-T74 CarbonylContact O-C 3.53Å; I63-T74 WeakPolarHBondContact O-CA 3.37Å; I63-A75 WeakPolarHBondContact O-CB 3.42Å; I63-A75 PolarHBondContact O-N 2.76Å; I63-P142 HydrophobicContact CG2-CB 3.95Å; I63-I159 HydrophobicContact CD1-CG2 4.17Å; I63-I159 HydrophobicContact CG2-CD1 3.91Å; I63-A162 HydrophobicContact CD1-CB 4.16Å; I63-M586 HydrophobicContact CD1-CE 4.47Å; I63-M586 HydrophobicContact CG1-CE 4.02Å; I63-M586 HydrophobicContact CG1-SD 4.22Å |
| 64 | P | 97 | Very high | 95.4 | Very high | 7 Ų | 7 | 23.9 Ų | 23.9 | 5% | 0.045 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.9 | 144.7 | 172.5 | -24.6 | 35.1 | 0 | 0 | 0 | 111.7 | Q73 A143 K156 | P64-Q73 WeakPolarHBondContact CA-O 3.42Å; P64-A143 HydrophobicContact CB-CB 4.1Å; P64-A143 WeakPolarHBondContact O-CB 3.26Å; P64-A143 PolarHBondContact O-N 3.28Å; P64-K156 HydrophobicContact CG-CB 4.33Å; P64-K156 HydrophobicContact CG-CD 3.82Å; P64-K156 HydrophobicContact CG-CG 3.87Å |
| 65 | L | 97.9 | Very high | 95.3 | Very high | 8 Ų | 8 | 23.8 Ų | 23.8 | 4% | 0.042 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 141.4 | 169.4 | -60.1 | -177.6 | 0 | 0 | 0 | 109.6 | Q73 A75 G141 V257 | L65-Q73 HydrophobicContact CB-CG 4.08Å; L65-Q73 HydrophobicContact CD1-CG 4.05Å; L65-Q73 HydrophobicContact CG-CG 4.33Å; L65-Q73 PolarHBondContact N-O 3.38Å; L65-A75 HydrophobicContact CD2-CB 3.88Å; L65-G141 CarbonylContact C-O 3.56Å; L65-G141 WeakPolarHBondContact CA-O 3.43Å; L65-V257 HydrophobicContact CD2-CG2 4.45Å |
| 66 | M | 97.9 | Very high | 95.3 | Very high | 10 Ų | 10 | 24 Ų | 24 | 5% | 0.049 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 134.7 | -178.4 | -178.9 | 60.8 | 61.3 | 0 | 0 | 110.6 | M105 H139 G141 A143 Y145 F146 S155 | M66-M105 HydrophobicContact CG-SD 3.88Å; M66-M105 HydrophobicContact SD-SD 4.36Å; M66-H139 CarbonylContact O-C 3.57Å; M66-H139 VanDerWaalsContact O-C 3.24Å; M66-H139 WeakPolarHBondContact O-CA 3.48Å; M66-G141 PolarHBondContact N-O 2.88Å; M66-A143 HydrophobicContact CB-CB 4.13Å; M66-A143 HydrophobicContact CE-CB 3.67Å; M66-Y145 HydrophobicContact CB-CE1 4.37Å; M66-Y145 HydrophobicContact CE-CE1 4.39Å; M66-Y145 HydrophobicContact CG-CE1 4.38Å; M66-Y145 WeakPolarHBondContact CG-OH 3.48Å; M66-F146 HydrophobicContact CE-CD2 3.68Å; M66-F146 HydrophobicContact CE-CE2 3.43Å; M66-F146 VanDerWaalsContact CE-CE2 3.43Å; M66-F146 HydrophobicContact CG-CE2 4.41Å; M66-F146 HydrophobicContact SD-CE2 3.88Å; M66-S155 WeakPolarHBondContact CE-OG 3.27Å |
| 67 | G | 95.8 | Very high | 95.2 | Very high | 21 Ų | 21 | 23.9 Ų | 23.9 | 22% | 0.216 | 14% | 0.141 | C | C | . | . | S | Bend | trans | 137.6 | -78.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | A69 H139 | G67-A69 PolarHBondContact O-N 2.9Å; G67-A69 VanDerWaalsContact O-N 3.14Å; G67-H139 VanDerWaalsContact C-ND1 3.33Å; G67-H139 VanDerWaalsContact CA-ND1 3.26Å; G67-H139 WeakPolarHBondContact CA-ND1 3.23Å |
| 68 | Y | 95 | Very high | 95.3 | Very high | 36 Ų | 36 | 24 Ų | 24 | 14% | 0.141 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -69.4 | -10.8 | -173.8 | -66.5 | -68.5 | 0 | 0 | 0 | 115.7 | N70 H139 V248 M250 N251 Y252 D405 | Y68-N70 PolarHBondContact O-N 3.28Å; Y68-N70 VanDerWaalsContact O-N 3.08Å; Y68-H139 AromaticContact CD1-ND1 3.9Å; Y68-H139 HydrophobicContact CD2-CB 3.76Å; Y68-H139 AromaticContact CD2-ND1 4Å; Y68-H139 AromaticContact CE1-ND1 3.92Å; Y68-H139 HydrophobicContact CE2-CB 3.43Å; Y68-H139 VanDerWaalsContact CE2-CB 3.43Å; Y68-H139 AromaticContact CG-ND1 3.94Å; Y68-H139 AromaticContact CZ-ND1 4Å; Y68-H139 PolarHBondContact N-ND1 2.89Å; Y68-V248 HydrophobicContact CE1-CG1 4.48Å; Y68-V248 VanDerWaalsContact OH-CB 3.28Å; Y68-V248 WeakPolarHBondContact OH-CB 3.35Å; Y68-V248 PolarHBondContact OH-O 3.1Å; Y68-M250 WeakPolarHBondContact CE2-O 3.34Å; Y68-M250 PolarHBondContact OH-O 3.06Å; Y68-N251 WeakPolarHBondContact OH-CA 3.41Å; Y68-Y252 VanDerWaalsContact CG-CB 3.5Å; Y68-D405 VanDerWaalsContact CE1-O 3.29Å; Y68-D405 WeakPolarHBondContact CE1-O 3.34Å |
| 69 | A | 90.6 | Very high | 95.4 | Very high | 56 Ų | 56 | 23.8 Ų | 23.8 | 46% | 0.463 | 14% | 0.139 | S | C | . | . | trans | 52.3 | 29.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | G67 P71 T154 | G67-A69 PolarHBondContact O-N 2.9Å; G67-A69 VanDerWaalsContact O-N 3.14Å; A69-P71 WeakPolarHBondContact O-CD 3.5Å; A69-T154 HydrophobicContact CB-CG2 3.97Å | ||
| 70 | N | 91 | Very high | 95.5 | Very high | 25 Ų | 25 | 23.6 Ų | 23.6 | 13% | 0.134 | 14% | 0.138 | C | C | . | . | trans | -88.3 | 118.5 | 179.1 | -175.8 | -33.5 | 0 | 0 | 0 | 110.2 | Y68 Q72 Q73 Y252 | Y68-N70 PolarHBondContact O-N 3.28Å; Y68-N70 VanDerWaalsContact O-N 3.08Å; N70-Q72 PolarHBondContact O-N 3.46Å; N70-Q72 VanDerWaalsContact O-N 3.08Å; N70-Q72 WeakPolarHBondContact OD1-CB 3.47Å; N70-Q72 PolarHBondContact OD1-N 2.67Å; N70-Q73 HydrophobicContact CB-CB 3.99Å; N70-Q73 WeakPolarHBondContact O-CB 3.22Å; N70-Q73 PolarHBondContact O-N 2.77Å; N70-Y252 WeakPolarHBondContact ND2-CD2 3.35Å | ||
| 71 | P | 86.9 | Confident | 95.6 | Very high | 100 Ų | 100 | 23.8 Ų | 23.8 | 65% | 0.649 | 14% | 0.139 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60 | -22.1 | -178.1 | -24.6 | 34.4 | 0 | 0 | 0 | 115.2 | A69 | A69-P71 WeakPolarHBondContact O-CD 3.5Š|
| 72 | Q | 90.4 | Very high | 95.7 | Very high | 155 Ų | 155 | 24 Ų | 24 | 72% | 0.724 | 14% | 0.14 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | -18.9 | -179.6 | -58.6 | 172.8 | 6.4 | 0 | 0 | 112 | N70 T74 | N70-Q72 PolarHBondContact O-N 3.46Å; N70-Q72 VanDerWaalsContact O-N 3.08Å; N70-Q72 WeakPolarHBondContact OD1-CB 3.47Å; N70-Q72 PolarHBondContact OD1-N 2.67Å; Q72-T74 PolarHBondContact O-N 3.45Å; Q72-T74 PolarHBondContact O-OG1 2.96Å |
| 73 | Q | 95.2 | Very high | 95.9 | Very high | 3 Ų | 3 | 23.3 Ų | 23.3 | 1% | 0.014 | 14% | 0.136 | C | C | . | . | trans | -78.9 | 88 | -179.1 | -160.8 | -169.6 | 23.6 | 0 | 0 | 110.5 | P64 L65 N70 Y252 N254 | P64-Q73 WeakPolarHBondContact CA-O 3.42Å; L65-Q73 HydrophobicContact CB-CG 4.08Å; L65-Q73 HydrophobicContact CD1-CG 4.05Å; L65-Q73 HydrophobicContact CG-CG 4.33Å; L65-Q73 PolarHBondContact N-O 3.38Å; N70-Q73 HydrophobicContact CB-CB 3.99Å; N70-Q73 WeakPolarHBondContact O-CB 3.22Å; N70-Q73 PolarHBondContact O-N 2.77Å; Q73-Y252 WeakPolarHBondContact CG-O 3.43Å; Q73-N254 WeakPolarHBondContact CG-O 3.26Å; Q73-N254 PolarHBondContact NE2-O 3.36Å | ||
| 74 | T | 96 | Very high | 96.1 | Very high | 20 Ų | 20 | 23.2 Ų | 23.2 | 12% | 0.123 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 137.4 | 178.8 | 48.5 | 0 | 0 | 0 | 0 | 109.7 | I63 Q72 A76 R255 | I63-T74 CarbonylContact O-C 3.53Å; I63-T74 WeakPolarHBondContact O-CA 3.37Å; Q72-T74 PolarHBondContact O-N 3.45Å; Q72-T74 PolarHBondContact O-OG1 2.96Å; T74-A76 PolarHBondContact O-N 2.92Å; T74-R255 WeakPolarHBondContact O-CB 3.23Å; T74-R255 PolarHBondContact O-NE 3Å; T74-R255 PolarHBondContact O-NH2 3.47Å; T74-R255 PolarHBondContact OG1-NH2 3.17Å |
| 75 | A | 97.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -52.7 | 135.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | P60 A61 E62 I63 L65 R255 V257 | P60-A75 VanDerWaalsContact C-CB 3.47Å; P60-A75 CarbonylContact O-C 3.6Å; A61-A75 CarbonylContact C-O 3.59Å; A61-A75 WeakPolarHBondContact CA-O 3.35Å; E62-A75 PolarHBondContact N-O 3.34Å; I63-A75 WeakPolarHBondContact O-CB 3.42Å; I63-A75 PolarHBondContact O-N 2.76Å; L65-A75 HydrophobicContact CD2-CB 3.88Å; A75-R255 CarbonylContact C-O 3.55Å; A75-R255 VanDerWaalsContact CA-O 3.29Å; A75-R255 WeakPolarHBondContact CA-O 3.29Å; A75-V257 HydrophobicContact CB-CG2 4.36Å |
| 76 | A | 97.7 | Very high | 96.2 | Very high | 10 Ų | 10 | 22.8 Ų | 22.8 | 8% | 0.083 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 35.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | P60 T74 R255 W665 | P60-A76 PolarHBondContact O-N 2.81Å; T74-A76 PolarHBondContact O-N 2.92Å; A76-R255 HydrophobicContact CB-CB 3.96Å; A76-R255 PolarHBondContact N-O 3.38Å; A76-W665 PolarHBondContact O-N 3.12Å |
| 77 | G | 98 | Very high | 96.3 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 146.4 | 178.9 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | P60 M256 V257 F663 | P60-G77 WeakPolarHBondContact CB-O 3.49Å; P60-G77 PolarHBondContact O-N 3.47Å; G77-M256 WeakPolarHBondContact O-CA 3.4Å; G77-V257 PolarHBondContact O-N 2.98Å; G77-F663 CarbonylContact C-O 3.46Å; G77-F663 WeakPolarHBondContact CA-O 3.42Å |
| 78 | I | 98.6 | Very high | 96.4 | Very high | 1 Ų | 1 | 21.3 Ų | 21.3 | 1% | 0.005 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 132.1 | 174.2 | -59.7 | -176.1 | 0 | 0 | 0 | 108.1 | T57 P60 T80 V257 F637 D656 F663 | T57-I78 HydrophobicContact CG2-CD1 4.49Å; P60-I78 HydrophobicContact CB-CD1 3.95Å; P60-I78 HydrophobicContact CB-CG1 3.38Å; P60-I78 HydrophobicContact CG-CD1 3.88Å; P60-I78 HydrophobicContact CG-CG1 3.78Å; I78-T80 WeakPolarHBondContact CG2-O 3.3Å; I78-V257 HydrophobicContact CG1-CB 4.36Å; I78-F637 HydrophobicContact CD1-CD2 3.81Å; I78-F637 HydrophobicContact CD1-CE2 4.03Å; I78-D656 VanDerWaalsContact CG2-O 3.3Å; I78-D656 WeakPolarHBondContact CG2-O 3.42Å; I78-F663 HydrophobicContact CB-CB 4.44Å; I78-F663 HydrophobicContact CB-CD1 4.34Å; I78-F663 HydrophobicContact CG1-CD1 4.25Å; I78-F663 PolarHBondContact N-O 3.31Å; I78-F663 PolarHBondContact O-N 2.86Å |
| 79 | H | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -99.2 | -48.3 | 163.2 | 177.6 | -147.3 | 0 | 0 | 0 | 110.3 | M256 V257 F337 W659 | H79-M256 HydrophobicContact CB-CB 4.01Å; H79-M256 HydrophobicContact CB-CE 3.94Å; H79-M256 HydrophobicContact CB-SD 4.18Å; H79-V257 PolarHBondContact N-O 2.83Å; H79-F337 AromaticContact CE1-CD1 3.59Å; H79-F337 AromaticContact ND1-CD1 3.67Å; H79-F337 AromaticContact ND1-CE1 3.76Å; H79-W659 AromaticContact CE1-CD2 3.62Å; H79-W659 AromaticContact CE1-CE2 3.68Å; H79-W659 AromaticContact CE1-CE3 3.39Å; H79-W659 AromaticContact CE1-CH2 3.38Å; H79-W659 WeakPolarHBondContact CE1-CH2 3.29Å; H79-W659 AromaticContact CE1-CZ2 3.57Å; H79-W659 AromaticContact CE1-CZ3 3.28Å; H79-W659 WeakPolarHBondContact CE1-CZ3 3.11Å; H79-W659 AromaticContact ND1-CZ3 3.97Å; H79-W659 AromaticContact NE2-CD2 3.62Å; H79-W659 AromaticContact NE2-CE2 3.87Å; H79-W659 AromaticContact NE2-CE3 3.69Å; H79-W659 PolarHBondContact NE2-O 2.99Å |
| 80 | T | 98.3 | Very high | 97 | Very high | 4 Ų | 4 | 17.9 Ų | 17.9 | 3% | 0.025 | 10% | 0.096 | C | C | . | . | S | Bend | trans | -139 | 152.6 | 169.3 | 63.4 | 0 | 0 | 0 | 0 | 110.5 | I78 V257 S259 W659 | I78-T80 WeakPolarHBondContact CG2-O 3.3Å; T80-V257 PolarHBondContact N-O 3.5Å; T80-S259 PolarHBondContact OG1-N 2.92Å; T80-S259 PolarHBondContact OG1-OG 3.49Å; T80-W659 HydrophobicContact CG2-CE3 3.68Å; T80-W659 HydrophobicContact CG2-CZ3 4.2Å |
| 81 | R | 98.5 | Very high | 97.3 | Very high | 3 Ų | 3 | 18.7 Ų | 18.7 | 1% | 0.011 | 10% | 0.1 | C | C | . | . | trans | -67.3 | 157.4 | 168.7 | -70.1 | -69.7 | -177.9 | 138.9 | -5.5 | 111.1 | D55 T57 Y83 I632 Q635 D656 A657 | D55-R81 IonicContact OD2-CZ 3.12Å; D55-R81 IonicContact OD2-NH1 2.7Å; D55-R81 PolarHBondContact OD2-NH1 3.31Å; T57-R81 WeakPolarHBondContact OG1-CD 3.25Å; R81-Y83 HydrophobicContact CB-CD2 4.48Å; R81-Y83 HydrophobicContact CB-CE1 4.47Å; R81-Y83 HydrophobicContact CB-CE2 3.65Å; R81-Y83 WeakPolarHBondContact CB-OH 3.24Å; R81-I632 PolarHBondContact NH1-O 2.78Å; R81-Q635 PolarHBondContact NH2-O 2.73Å; R81-D656 IonicContact CZ-OD1 2.8Å; R81-D656 IonicContact CZ-OD2 3.92Å; R81-D656 IonicContact NE-OD1 3.04Å; R81-D656 PolarHBondContact NE-OD1 2.83Å; R81-D656 VanDerWaalsContact NE-OD1 3.09Å; R81-D656 IonicContact NE-OD2 2.79Å; R81-D656 PolarHBondContact NE-OD2 3.43Å; R81-D656 IonicContact NH2-OD1 2.79Å; R81-D656 IonicContact NH2-OD2 3.33Å; R81-D656 PolarHBondContact NH2-OD2 2.9Å; R81-A657 HydrophobicContact CB-CB 3.91Å; R81-A657 HydrophobicContact CG-CB 3.72Å | ||
| 82 | L | 98.8 | Very high | 97.7 | Very high | 6 Ų | 6 | 17.3 Ų | 17.3 | 3% | 0.031 | 10% | 0.104 | C | C | . | . | trans | -104.4 | 130.7 | 176.2 | -53 | 179.3 | 0 | 0 | 0 | 108.9 | D55 C56 T57 D102 V257 S258 | D55-L82 VanDerWaalsContact OD1-O 3.08Å; C56-L82 PolarHBondContact N-O 3.18Å; C56-L82 PolarHBondContact SG-O 2.97Å; C56-L82 VanDerWaalsContact SG-O 3.42Å; T57-L82 PolarHBondContact OG1-N 3.43Å; T57-L82 PolarHBondContact OG1-O 3.24Å; L82-D102 HydrophobicContact CB-CB 3.84Å; L82-D102 HydrophobicContact CD2-CB 3.96Å; L82-D102 HydrophobicContact CG-CB 4.47Å; L82-V257 HydrophobicContact CD1-CG1 3.73Å; L82-V257 HydrophobicContact CD2-CG1 3.97Å; L82-V257 HydrophobicContact CG-CG1 3.68Å; L82-S258 WeakPolarHBondContact CD2-O 3.42Å | ||
| 83 | Y | 98.9 | Very high | 97.9 | Very high | 23 Ų | 23 | 14.8 Ų | 14.8 | 9% | 0.09 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 145.3 | -178.5 | -61.1 | -85.6 | 0 | 0 | 0 | 112.6 | R53 S54 D55 R81 A101 D102 G280 A657 | R53-Y83 HydrophobicContact CG-CD1 3.78Å; R53-Y83 HydrophobicContact CG-CG 4.05Å; S54-Y83 WeakPolarHBondContact O-CA 3.45Å; D55-Y83 HydrophobicContact CB-CD1 4.38Å; D55-Y83 HydrophobicContact CB-CE1 4.23Å; R81-Y83 HydrophobicContact CB-CD2 4.48Å; R81-Y83 HydrophobicContact CB-CE1 4.47Å; R81-Y83 HydrophobicContact CB-CE2 3.65Å; R81-Y83 WeakPolarHBondContact CB-OH 3.24Å; Y83-A101 WeakPolarHBondContact O-CA 3.27Å; Y83-D102 PolarHBondContact N-OD2 3.05Å; Y83-D102 PolarHBondContact O-N 3.45Å; Y83-G280 VanDerWaalsContact OH-CA 3.3Å; Y83-G280 WeakPolarHBondContact OH-CA 3.49Å; Y83-A657 WeakPolarHBondContact OH-CB 3.48Å |
| 84 | S | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 129.6 | 160.3 | 178.4 | 0 | 0 | 0 | 0 | 109.3 | R53 S54 V99 I170 S173 | R53-S84 VanDerWaalsContact CA-O 3.3Å; R53-S84 WeakPolarHBondContact CA-O 3.39Å; S54-S84 PolarHBondContact N-O 3.24Å; S54-S84 PolarHBondContact O-N 3.32Å; S84-V99 VanDerWaalsContact OG-CG1 3.22Å; S84-V99 WeakPolarHBondContact OG-CG1 3.39Å; S84-I170 WeakPolarHBondContact OG-CA 3.42Å; S84-S173 VanDerWaalsContact O-CB 3.23Å; S84-S173 WeakPolarHBondContact O-CB 3.4Å; S84-S173 PolarHBondContact OG-OG 2.91Å |
| 85 | R | 98.9 | Very high | 98.1 | Very high | 5 Ų | 5 | 18.5 Ų | 18.5 | 2% | 0.019 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 115.6 | 178.2 | -63.4 | -179.4 | 178.9 | 83.6 | -2.4 | 109.8 | G52 R53 F87 V99 T100 D102 E270 V285 A286 | G52-R85 CarbonylContact O-C 3.4Å; G52-R85 WeakPolarHBondContact O-CA 3.47Å; R53-R85 HydrophobicContact CB-CG 4.44Å; R53-R85 HydrophobicContact CG-CG 4.13Å; R85-F87 HydrophobicContact CB-CE2 4.07Å; R85-V99 WeakPolarHBondContact O-CA 3.19Å; R85-T100 HydrophobicContact CB-CG2 4.15Å; R85-T100 PolarHBondContact N-O 3.35Å; R85-T100 PolarHBondContact O-N 3.05Å; R85-D102 IonicContact CZ-OD2 3.25Å; R85-D102 IonicContact NH1-OD1 2.84Å; R85-D102 IonicContact NH1-OD2 2.7Å; R85-D102 PolarHBondContact NH1-OD2 3.32Å; R85-E270 IonicContact CZ-OE1 3.09Å; R85-E270 IonicContact CZ-OE2 3.57Å; R85-E270 IonicContact NE-OE1 3.25Å; R85-E270 PolarHBondContact NE-OE1 3.4Å; R85-E270 IonicContact NE-OE2 3.38Å; R85-E270 PolarHBondContact NE-OE2 3.2Å; R85-E270 IonicContact NH2-OE1 3.44Å; R85-E270 IonicContact NH2-OE2 2.8Å; R85-E270 PolarHBondContact NH2-OE2 2.72Å; R85-V285 HydrophobicContact CB-CG1 3.74Å; R85-V285 HydrophobicContact CG-CG1 3.79Å; R85-A286 WeakPolarHBondContact CD-O 3.16Å; R85-A286 PolarHBondContact NE-O 2.81Å; R85-A286 VanDerWaalsContact NE-O 3.12Å |
| 86 | A | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 140.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | V51 G52 V99 I174 A177 | V51-A86 WeakPolarHBondContact CA-O 3.27Å; G52-A86 PolarHBondContact N-O 3.17Å; G52-A86 PolarHBondContact O-N 3.36Å; A86-V99 HydrophobicContact CB-CG2 3.95Å; A86-I174 HydrophobicContact CB-CB 4.47Å; A86-I174 HydrophobicContact CB-CG1 3.86Å; A86-A177 HydrophobicContact CB-CB 4.15Å |
| 87 | F | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 118.7 | 178.8 | -57.8 | -96.1 | 0 | 0 | 0 | 108.4 | G50 V51 R85 I89 V97 F98 T100 F229 M239 I240 V285 | G50-F87 WeakPolarHBondContact O-CA 3.3Å; V51-F87 HydrophobicContact CG1-CD1 3.81Å; V51-F87 HydrophobicContact CG1-CE1 4.13Å; R85-F87 HydrophobicContact CB-CE2 4.07Å; F87-I89 HydrophobicContact CB-CD1 4.31Å; F87-V97 WeakPolarHBondContact O-CA 3.27Å; F87-F98 HydrophobicContact CD2-CD1 4.37Å; F87-F98 PolarHBondContact N-O 2.93Å; F87-F98 PolarHBondContact O-N 2.91Å; F87-T100 HydrophobicContact CE2-CG2 4.49Å; F87-F229 HydrophobicContact CD1-CD2 4.11Å; F87-F229 AromaticContact CD1-CE2 3.87Å; F87-F229 HydrophobicContact CD1-CE2 3.87Å; F87-F229 HydrophobicContact CD1-CZ 4.27Å; F87-F229 HydrophobicContact CE1-CD2 4.33Å; F87-F229 HydrophobicContact CE1-CE2 4.26Å; F87-M239 WeakPolarHBondContact CE1-O 3.49Å; F87-M239 WeakPolarHBondContact CZ-O 3.46Å; F87-I240 HydrophobicContact CB-CD1 3.88Å; F87-I240 HydrophobicContact CB-CG1 4.49Å; F87-I240 HydrophobicContact CD1-CD1 3.95Å; F87-I240 HydrophobicContact CD1-CG1 3.68Å; F87-I240 HydrophobicContact CD2-CD1 3.67Å; F87-I240 HydrophobicContact CD2-CG1 3.53Å; F87-I240 HydrophobicContact CE1-CD1 4.44Å; F87-I240 HydrophobicContact CE1-CG1 3.66Å; F87-I240 HydrophobicContact CE2-CD1 4.2Å; F87-I240 HydrophobicContact CE2-CG1 3.53Å; F87-I240 HydrophobicContact CG-CD1 3.55Å; F87-I240 HydrophobicContact CG-CG1 3.63Å; F87-I240 HydrophobicContact CZ-CG1 3.6Å; F87-V285 HydrophobicContact CE1-CG1 4.43Å; F87-V285 HydrophobicContact CZ-CG1 3.93Å |
| 88 | I | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 127.9 | 178.4 | -57.3 | -170 | 0 | 0 | 0 | 108.3 | I49 G50 R95 V96 V97 Y126 I174 A177 H178 M181 | I49-I88 CarbonylContact C-O 3.56Å; I49-I88 WeakPolarHBondContact CA-O 3.37Å; G50-I88 PolarHBondContact N-O 3.04Å; G50-I88 PolarHBondContact O-N 3.16Å; I88-R95 HydrophobicContact CG2-CG 3.61Å; I88-V96 WeakPolarHBondContact CA-O 3.47Å; I88-V97 HydrophobicContact CD1-CG2 4.26Å; I88-V97 HydrophobicContact CG1-CG1 4.23Å; I88-V97 HydrophobicContact CG1-CG2 4.04Å; I88-Y126 HydrophobicContact CD1-CE1 4.21Å; I88-Y126 WeakPolarHBondContact CD1-OH 3.31Å; I88-I174 HydrophobicContact CD1-CG2 4.2Å; I88-A177 HydrophobicContact CD1-CB 3.87Å; I88-A177 HydrophobicContact CG1-CB 3.78Å; I88-H178 HydrophobicContact CD1-CB 3.94Å; I88-M181 HydrophobicContact CG2-CG 4.43Å; I88-M181 HydrophobicContact CG2-SD 3.76Å |
| 89 | I | 98.8 | Very high | 98.2 | Very high | 5 Ų | 5 | 18.2 Ų | 18.2 | 3% | 0.026 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 128.1 | 176.6 | -54.3 | 86.9 | 0 | 0 | 0 | 108.3 | Y47 F87 R95 V96 I186 F229 V366 V472 | Y47-I89 HydrophobicContact CD1-CG2 3.88Å; Y47-I89 HydrophobicContact CG-CG2 3.87Å; F87-I89 HydrophobicContact CB-CD1 4.31Å; I89-R95 WeakPolarHBondContact O-CA 3.31Å; I89-V96 HydrophobicContact CB-CG2 4.14Å; I89-V96 HydrophobicContact CD1-CG2 4.48Å; I89-V96 PolarHBondContact N-O 3.39Å; I89-V96 PolarHBondContact O-N 2.93Å; I89-I186 HydrophobicContact CG1-CD1 3.93Å; I89-I186 HydrophobicContact CG2-CD1 3.8Å; I89-F229 HydrophobicContact CD1-CE1 4.06Å; I89-F229 HydrophobicContact CG1-CE1 3.93Å; I89-V366 HydrophobicContact CG2-CG2 4.1Å; I89-V472 HydrophobicContact CB-CG2 4.29Å; I89-V472 HydrophobicContact CD1-CG2 4.36Å; I89-V472 HydrophobicContact CG1-CG2 4.37Å; I89-V472 HydrophobicContact CG2-CG1 3.86Å; I89-V472 HydrophobicContact CG2-CG2 4.41Å |
| 90 | D | 98.4 | Very high | 98.2 | Very high | 15 Ų | 15 | 18.3 Ų | 18.3 | 8% | 0.08 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 125.1 | -178.5 | -171.8 | -25 | 0 | 0 | 0 | 109.8 | Y47 L48 G92 R94 R95 M181 | Y47-D90 CarbonylContact C-O 3.24Å; Y47-D90 WeakPolarHBondContact CA-O 3.41Å; Y47-D90 WeakPolarHBondContact CB-O 3.36Å; L48-D90 HydrophobicContact CB-CB 4.18Å; L48-D90 PolarHBondContact N-O 2.91Å; L48-D90 PolarHBondContact O-N 3.14Å; D90-G92 VanDerWaalsContact C-N 3.31Å; D90-G92 WeakPolarHBondContact OD1-CA 3.33Å; D90-G92 PolarHBondContact OD1-N 2.89Å; D90-R94 WeakPolarHBondContact CA-O 3.29Å; D90-R95 HydrophobicContact CB-CB 4.15Å; D90-R95 HydrophobicContact CB-CG 4.11Å; D90-R95 IonicContact OD2-CZ 2.91Å; D90-R95 IonicContact OD2-NE 3.65Å; D90-R95 PolarHBondContact OD2-NE 3.46Å; D90-R95 IonicContact OD2-NH2 3.87Å; D90-R95 PolarHBondContact OD2-NH2 3.01Å; D90-M181 HydrophobicContact CB-CE 3.82Å |
| 91 | D | 97.1 | Very high | 98.3 | Very high | 43 Ų | 43 | 18.2 Ų | 18.2 | 23% | 0.23 | 11% | 0.112 | C | C | . | . | trans | -90.2 | 9.2 | 178.2 | 71.9 | -0.6 | 0 | 0 | 0 | 113.7 | Y47 S93 R94 V366 | Y47-D91 HydrophobicContact CD1-CB 4.03Å; Y47-D91 HydrophobicContact CE1-CB 4.18Å; D91-S93 VanDerWaalsContact C-N 3.29Å; D91-S93 WeakPolarHBondContact OD1-CA 3.32Å; D91-S93 WeakPolarHBondContact OD1-CB 3.16Å; D91-S93 PolarHBondContact OD1-N 3.35Å; D91-R94 PolarHBondContact N-O 3.47Å; D91-R94 VanDerWaalsContact N-O 3.14Å; D91-R94 PolarHBondContact OD1-N 2.92Å; D91-V366 HydrophobicContact CB-CB 4.16Å; D91-V366 HydrophobicContact CB-CG2 3.93Å; D91-V366 PolarHBondContact OD2-N 3.42Å | ||
| 92 | G | 95.6 | Very high | 98.3 | Very high | 70 Ų | 70 | 18.1 Ų | 18.1 | 72% | 0.722 | 11% | 0.112 | S | C | * | . | S | Bend | trans | 88.6 | -11.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | D90 | D90-G92 VanDerWaalsContact C-N 3.31Å; D90-G92 WeakPolarHBondContact OD1-CA 3.33Å; D90-G92 PolarHBondContact OD1-N 2.89Å |
| 93 | S | 94.7 | Very high | 98.3 | Very high | 102 Ų | 102 | 18.1 Ų | 18.1 | 71% | 0.713 | 11% | 0.112 | S | C | * | . | S | Bend | trans | -120.3 | -42 | 176.7 | 177.9 | 0 | 0 | 0 | 0 | 112.4 | D91 | D91-S93 VanDerWaalsContact C-N 3.29Å; D91-S93 WeakPolarHBondContact OD1-CA 3.32Å; D91-S93 WeakPolarHBondContact OD1-CB 3.16Å; D91-S93 PolarHBondContact OD1-N 3.35Å |
| 94 | R | 96.9 | Very high | 98.3 | Very high | 61 Ų | 61 | 17 Ų | 17 | 23% | 0.23 | 11% | 0.108 | C | C | . | . | trans | -130.9 | 140.9 | -176.9 | -61.3 | -169 | -163.1 | 178.6 | 12.7 | 109.4 | D90 D91 V366 R367 F368 D564 | D90-R94 WeakPolarHBondContact CA-O 3.29Å; D91-R94 PolarHBondContact N-O 3.47Å; D91-R94 VanDerWaalsContact N-O 3.14Å; D91-R94 PolarHBondContact OD1-N 2.92Å; R94-V366 HydrophobicContact CB-CB 4.3Å; R94-V366 HydrophobicContact CB-CG1 4.12Å; R94-V366 WeakPolarHBondContact CD-O 3.07Å; R94-R367 VanDerWaalsContact CZ-CD 3.49Å; R94-F368 HydrophobicContact CB-CE1 4.11Å; R94-F368 HydrophobicContact CG-CE1 4.47Å; R94-D564 IonicContact CZ-OD1 2.74Å; R94-D564 IonicContact NH1-OD1 3.47Å; R94-D564 IonicContact NH2-OD1 2.78Å; R94-D564 PolarHBondContact NH2-OD1 2.96Å; R94-D564 IonicContact NH2-OD2 2.64Å | ||
| 95 | R | 98 | Very high | 98.2 | Very high | 41 Ų | 41 | 17.4 Ų | 17.4 | 16% | 0.155 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 137.4 | 178.7 | -175.8 | 177.8 | -61.3 | -177.6 | 2 | 110.4 | I88 I89 D90 Y126 N130 H178 | I88-R95 HydrophobicContact CG2-CG 3.61Å; I89-R95 WeakPolarHBondContact O-CA 3.31Å; D90-R95 HydrophobicContact CB-CB 4.15Å; D90-R95 HydrophobicContact CB-CG 4.11Å; D90-R95 IonicContact OD2-CZ 2.91Å; D90-R95 IonicContact OD2-NE 3.65Å; D90-R95 PolarHBondContact OD2-NE 3.46Å; D90-R95 IonicContact OD2-NH2 3.87Å; D90-R95 PolarHBondContact OD2-NH2 3.01Å; R95-Y126 HydrophobicContact CG-CE1 4.4Å; R95-Y126 PolarHBondContact NH1-OH 2.9Å; R95-N130 VanDerWaalsContact O-CB 3.3Å; R95-N130 WeakPolarHBondContact O-CB 3.23Å; R95-N130 PolarHBondContact O-ND2 3.34Å; R95-H178 PolarHBondContact NH1-CE1 2.81Å; R95-H178 PolarHBondContact NH1-ND1 3.24Å |
| 96 | V | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 152.2 | 171.1 | -68.6 | 0 | 0 | 0 | 0 | 110.8 | I88 I89 N130 V366 F368 I470 V472 | I88-V96 WeakPolarHBondContact CA-O 3.47Å; I89-V96 HydrophobicContact CB-CG2 4.14Å; I89-V96 HydrophobicContact CD1-CG2 4.48Å; I89-V96 PolarHBondContact N-O 3.39Å; I89-V96 PolarHBondContact O-N 2.93Å; V96-N130 CarbonylContact C-O 3.57Å; V96-N130 WeakPolarHBondContact CA-O 3.47Å; V96-N130 HydrophobicContact CG1-CB 4.38Å; V96-V366 HydrophobicContact CB-CG1 4.19Å; V96-V366 HydrophobicContact CG1-CG1 3.49Å; V96-V366 VanDerWaalsContact CG1-CG1 3.49Å; V96-V366 HydrophobicContact CG2-CG1 3.79Å; V96-F368 HydrophobicContact CG1-CB 4.2Å; V96-F368 HydrophobicContact CG1-CD1 3.64Å; V96-F368 HydrophobicContact CG1-CG 4.36Å; V96-I470 HydrophobicContact CB-CB 4.47Å; V96-I470 HydrophobicContact CB-CD1 4.35Å; V96-I470 HydrophobicContact CB-CG2 4.46Å; V96-I470 HydrophobicContact CG1-CB 4.09Å; V96-I470 HydrophobicContact CG1-CG2 4.05Å; V96-I470 HydrophobicContact CG2-CD1 4.47Å; V96-V472 HydrophobicContact CG2-CG2 3.94Å |
| 97 | V | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 125.8 | 173.6 | -173.3 | 0 | 0 | 0 | 0 | 108.5 | F87 I88 V99 Y126 N130 V131 V132 I174 | F87-V97 WeakPolarHBondContact O-CA 3.27Å; I88-V97 HydrophobicContact CD1-CG2 4.26Å; I88-V97 HydrophobicContact CG1-CG1 4.23Å; I88-V97 HydrophobicContact CG1-CG2 4.04Å; V97-V99 HydrophobicContact CG1-CG2 4.01Å; V97-Y126 HydrophobicContact CG2-CD1 3.42Å; V97-Y126 VanDerWaalsContact CG2-CD1 3.42Å; V97-Y126 HydrophobicContact CG2-CE1 3.43Å; V97-Y126 VanDerWaalsContact CG2-CE1 3.43Å; V97-Y126 HydrophobicContact CG2-CG 4.44Å; V97-N130 PolarHBondContact N-O 3.48Å; V97-V131 HydrophobicContact CB-CG1 4.39Å; V97-V131 HydrophobicContact CB-CG2 4.15Å; V97-V131 HydrophobicContact CG2-CG2 4.19Å; V97-V132 PolarHBondContact O-N 3.43Å; V97-I174 HydrophobicContact CG1-CD1 4.17Å; V97-I174 HydrophobicContact CG1-CG1 3.98Å; V97-I174 HydrophobicContact CG1-CG2 4.42Å |
| 98 | F | 98.9 | Very high | 98.2 | Very high | 4 Ų | 4 | 17.4 Ų | 17.4 | 2% | 0.018 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 125.5 | 167.1 | -178.8 | -98 | 0 | 0 | 0 | 109.2 | F87 V132 I240 W242 I470 V477 A514 | F87-F98 HydrophobicContact CD2-CD1 4.37Å; F87-F98 PolarHBondContact N-O 2.93Å; F87-F98 PolarHBondContact O-N 2.91Å; F98-V132 HydrophobicContact CD2-CB 3.93Å; F98-V132 HydrophobicContact CD2-CG1 3.69Å; F98-V132 HydrophobicContact CE2-CG1 3.79Å; F98-I240 HydrophobicContact CD1-CD1 3.72Å; F98-I240 HydrophobicContact CD1-CG1 4.44Å; F98-I240 HydrophobicContact CD1-CG2 4.43Å; F98-I240 HydrophobicContact CE1-CD1 4.33Å; F98-I240 HydrophobicContact CE1-CG2 3.97Å; F98-I240 HydrophobicContact CG-CD1 4.49Å; F98-W242 HydrophobicContact CD1-CZ2 4.42Å; F98-W242 AromaticContact CE1-CZ2 3.93Å; F98-W242 HydrophobicContact CE1-CZ2 3.93Å; F98-W242 HydrophobicContact CE2-CZ2 4.32Å; F98-W242 AromaticContact CZ-CZ2 3.89Å; F98-W242 HydrophobicContact CZ-CZ2 3.89Å; F98-W242 AromaticContact CZ-NE1 3.91Å; F98-I470 HydrophobicContact CB-CD1 4.18Å; F98-I470 HydrophobicContact CD2-CD1 4.47Å; F98-V477 HydrophobicContact CD2-CG1 4.09Å; F98-V477 HydrophobicContact CE2-CG1 3.87Å; F98-A514 HydrophobicContact CE2-CB 3.79Å; F98-A514 HydrophobicContact CZ-CB 4.17Å |
| 99 | V | 98.9 | Very high | 98.2 | Very high | 1 Ų | 1 | 18.3 Ų | 18.3 | 1% | 0.006 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 130.8 | 173.7 | -179.4 | 0 | 0 | 0 | 0 | 109.4 | S84 R85 A86 V97 A101 V132 L133 S134 I170 I174 | S84-V99 VanDerWaalsContact OG-CG1 3.22Å; S84-V99 WeakPolarHBondContact OG-CG1 3.39Å; R85-V99 WeakPolarHBondContact O-CA 3.19Å; A86-V99 HydrophobicContact CB-CG2 3.95Å; V97-V99 HydrophobicContact CG1-CG2 4.01Å; V99-A101 HydrophobicContact CG1-CB 4.49Å; V99-V132 PolarHBondContact N-O 2.83Å; V99-L133 HydrophobicContact CB-CD2 3.72Å; V99-L133 HydrophobicContact CG1-CD2 4.35Å; V99-L133 HydrophobicContact CG2-CD2 3.68Å; V99-S134 PolarHBondContact O-N 2.99Å; V99-I170 HydrophobicContact CG1-CG2 4.35Å; V99-I174 HydrophobicContact CG2-CD1 3.88Å; V99-I174 HydrophobicContact CG2-CG1 3.81Å |
| 100 | T | 98.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 18.1 Ų | 18.1 | 1% | 0.006 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 125.4 | 161.3 | -171.6 | 0 | 0 | 0 | 0 | 108.7 | R85 F87 S134 | R85-T100 HydrophobicContact CB-CG2 4.15Å; R85-T100 PolarHBondContact N-O 3.35Å; R85-T100 PolarHBondContact O-N 3.05Å; F87-T100 HydrophobicContact CE2-CG2 4.49Å; T100-S134 CarbonylContact C-O 3.58Å; T100-S134 WeakPolarHBondContact CA-O 3.43Å |
| 101 | A | 98.8 | Very high | 98.2 | Very high | 2 Ų | 2 | 17.4 Ų | 17.4 | 2% | 0.017 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 142.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y83 V99 V103 S134 G135 T136 | Y83-A101 WeakPolarHBondContact O-CA 3.27Å; V99-A101 HydrophobicContact CG1-CB 4.49Å; A101-V103 HydrophobicContact CB-CG1 4.15Å; A101-V103 PolarHBondContact O-N 2.86Å; A101-S134 PolarHBondContact N-O 3.31Å; A101-G135 WeakPolarHBondContact O-CA 3.36Å; A101-T136 WeakPolarHBondContact O-CG2 2.95Å; A101-T136 PolarHBondContact O-N 2.79Å |
| 102 | D | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 16.7 Ų | 16.7 | 1% | 0.005 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -71.4 | 72.6 | 175.2 | -66.2 | -44.4 | 0 | 0 | 0 | 110.8 | L82 Y83 R85 T136 | L82-D102 HydrophobicContact CB-CB 3.84Å; L82-D102 HydrophobicContact CD2-CB 3.96Å; L82-D102 HydrophobicContact CG-CB 4.47Å; Y83-D102 PolarHBondContact N-OD2 3.05Å; Y83-D102 PolarHBondContact O-N 3.45Å; R85-D102 IonicContact CZ-OD2 3.25Å; R85-D102 IonicContact NH1-OD1 2.84Å; R85-D102 IonicContact NH1-OD2 2.7Å; R85-D102 PolarHBondContact NH1-OD2 3.32Å; D102-T136 WeakPolarHBondContact OD1-CG2 3.38Å |
| 103 | V | 98.6 | Very high | 98.4 | Very high | 6 Ų | 6 | 14.9 Ų | 14.9 | 4% | 0.036 | 8% | 0.078 | C | C | . | . | S | Bend | trans | -139.6 | 152.6 | -178.8 | 67.7 | 0 | 0 | 0 | 0 | 109.4 | A101 M105 H137 Y145 L166 | A101-V103 HydrophobicContact CB-CG1 4.15Å; A101-V103 PolarHBondContact O-N 2.86Å; V103-M105 PolarHBondContact O-N 2.62Å; V103-H137 PolarHBondContact O-N 3.22Å; V103-Y145 HydrophobicContact CG2-CE1 3.95Å; V103-Y145 HydrophobicContact CG2-CE2 4.06Å; V103-Y145 VanDerWaalsContact CG2-OH 3.27Å; V103-Y145 WeakPolarHBondContact CG2-OH 3.3Å; V103-L166 HydrophobicContact CG2-CD2 4.18Å |
| 104 | G | 98.4 | Very high | 98.6 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 4% | 0.044 | C | C | . | . | S | Bend | trans | -58.6 | -47.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | H137 T138 L516 | G104-H137 VanDerWaalsContact O-CA 3.28Å; G104-H137 WeakPolarHBondContact O-CA 3.43Å; G104-H137 PolarHBondContact O-ND1 3.5Å; G104-T138 WeakPolarHBondContact CA-O 3.47Å; G104-T138 PolarHBondContact N-O 2.85Å; G104-L516 WeakPolarHBondContact O-CD2 3.46Å |
| 105 | M | 98.3 | Very high | 98.7 | Very high | 9 Ų | 9 | 8.1 Ų | 8.1 | 4% | 0.044 | 4% | 0.038 | C | C | . | . | trans | -157.5 | 155.6 | 177.8 | -41.9 | 72.7 | 162 | 0 | 0 | 109 | M66 V103 Y145 F146 L516 Y520 | M66-M105 HydrophobicContact CG-SD 3.88Å; M66-M105 HydrophobicContact SD-SD 4.36Å; V103-M105 PolarHBondContact O-N 2.62Å; M105-Y145 PolarHBondContact N-OH 2.94Å; M105-Y145 WeakPolarHBondContact O-CE2 3.4Å; M105-Y145 PolarHBondContact O-OH 2.89Å; M105-F146 HydrophobicContact CB-CZ 4.34Å; M105-F146 HydrophobicContact SD-CZ 4.36Å; M105-L516 HydrophobicContact CB-CD2 4.1Å; M105-L516 HydrophobicContact CG-CD2 3.78Å; M105-Y520 HydrophobicContact CB-CD1 4.48Å; M105-Y520 HydrophobicContact CB-CD2 3.81Å; M105-Y520 HydrophobicContact CB-CE2 4.48Å; M105-Y520 HydrophobicContact CB-CG 3.79Å; M105-Y520 HydrophobicContact CE-CD1 4.25Å; M105-Y520 HydrophobicContact CE-CE1 3.63Å; M105-Y520 HydrophobicContact CE-CE2 4.05Å; M105-Y520 HydrophobicContact CG-CD1 3.97Å; M105-Y520 HydrophobicContact CG-CD2 3.4Å; M105-Y520 VanDerWaalsContact CG-CD2 3.4Å; M105-Y520 HydrophobicContact CG-CE1 4.14Å; M105-Y520 HydrophobicContact CG-CE2 3.6Å; M105-Y520 HydrophobicContact CG-CG 3.58Å | ||
| 106 | V | 98.8 | Very high | 98.7 | Very high | 2 Ų | 2 | 10.8 Ų | 10.8 | 1% | 0.012 | 5% | 0.052 | C | C | . | . | trans | -81.7 | 124.5 | 165.2 | -178.2 | 0 | 0 | 0 | 0 | 109.6 | L110 R111 L133 L516 N518 V519 Y520 | V106-L110 HydrophobicContact CG1-CD2 4.32Å; V106-R111 HydrophobicContact CG1-CB 4.26Å; V106-L133 HydrophobicContact CG1-CB 4Å; V106-L133 HydrophobicContact CG1-CD1 4.46Å; V106-L133 HydrophobicContact CG2-CB 4.04Å; V106-L133 WeakPolarHBondContact CG2-O 3.31Å; V106-L516 PolarHBondContact N-O 3.46Å; V106-N518 WeakPolarHBondContact CG1-O 3.28Å; V106-V519 CarbonylContact O-C 3.57Å; V106-V519 WeakPolarHBondContact O-CA 3.24Å; V106-Y520 PolarHBondContact O-N 2.88Å | ||
| 107 | S | 98.7 | Very high | 98.7 | Very high | 1 Ų | 1 | 12 Ų | 12 | 1% | 0.007 | 6% | 0.063 | C | C | . | . | trans | -89.1 | 154.8 | 174.7 | 84.8 | 0 | 0 | 0 | 0 | 111.1 | R109 L110 R111 Y145 F146 | S107-R109 PolarHBondContact O-N 3.45Å; S107-R109 PolarHBondContact OG-N 3.44Å; S107-L110 PolarHBondContact O-N 2.93Å; S107-L110 VanDerWaalsContact O-N 3.15Å; S107-L110 WeakPolarHBondContact OG-CB 3.39Å; S107-L110 PolarHBondContact OG-N 2.88Å; S107-R111 PolarHBondContact O-N 2.86Å; S107-Y145 WeakPolarHBondContact CB-O 3.36Å; S107-Y145 PolarHBondContact OG-O 3.49Å; S107-F146 VanDerWaalsContact CB-CD1 3.44Å | ||
| 108 | Q | 98.8 | Very high | 98.7 | Very high | 2 Ų | 2 | 12 Ų | 12 | 1% | 0.009 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -58.5 | -37.6 | 176.2 | -167 | 64.3 | -55.2 | 0 | 0 | 111.6 | R111 L112 Y148 D466 V519 P575 | Q108-R111 PolarHBondContact O-N 2.81Å; Q108-L112 HydrophobicContact CG-CD1 4.12Å; Q108-L112 WeakPolarHBondContact O-CB 3.35Å; Q108-L112 WeakPolarHBondContact O-CG 3.09Å; Q108-L112 PolarHBondContact O-N 2.83Å; Q108-Y148 HydrophobicContact CB-CE2 3.99Å; Q108-D466 PolarHBondContact NE2-OD2 3.03Å; Q108-D466 PolarHBondContact OE1-OD2 3.4Å; Q108-D466 VanDerWaalsContact OE1-OD2 3.1Å; Q108-V519 HydrophobicContact CB-CB 4.05Å; Q108-V519 HydrophobicContact CB-CG2 3.73Å; Q108-V519 HydrophobicContact CG-CG2 4.38Å; Q108-P575 HydrophobicContact CG-CB 3.97Å; Q108-P575 HydrophobicContact CG-CG 4.39Å; Q108-P575 VanDerWaalsContact NE2-CB 3.33Å |
| 109 | R | 98.4 | Very high | 98.7 | Very high | 19 Ų | 19 | 17.5 Ų | 17.5 | 7% | 0.072 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -63.6 | -48.1 | 176.9 | -170.7 | -179.1 | 179.3 | 81.1 | 5.6 | 111.8 | S107 R111 L112 E113 Q147 Y158 F577 F578 | S107-R109 PolarHBondContact O-N 3.45Å; S107-R109 PolarHBondContact OG-N 3.44Å; R109-R111 VanDerWaalsContact C-N 3.31Å; R109-R111 PolarHBondContact O-N 3.02Å; R109-L112 PolarHBondContact O-N 3.41Å; R109-E113 HydrophobicContact CG-CG 4.39Å; R109-E113 IonicContact CZ-OE1 3.39Å; R109-E113 IonicContact NE-OE1 3.27Å; R109-E113 PolarHBondContact NE-OE1 2.94Å; R109-E113 IonicContact NH2-OE1 2.71Å; R109-E113 PolarHBondContact NH2-OE1 2.87Å; R109-E113 WeakPolarHBondContact O-CG 3.31Å; R109-E113 PolarHBondContact O-N 2.9Å; R109-Q147 HydrophobicContact CB-CB 3.9Å; R109-Q147 HydrophobicContact CB-CG 4.02Å; R109-Q147 HydrophobicContact CG-CB 4.3Å; R109-Y158 VanDerWaalsContact NE-CZ 3.34Å; R109-F577 HydrophobicContact CG-CE2 4.19Å; R109-F578 PolarHBondContact NH1-O 3.43Å |
| 110 | L | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -57.7 | -46.5 | 178.9 | 175.3 | 60.4 | 0 | 0 | 0 | 110.8 | V106 S107 L112 E113 V114 Y145 L166 V167 I170 | V106-L110 HydrophobicContact CG1-CD2 4.32Å; S107-L110 PolarHBondContact O-N 2.93Å; S107-L110 VanDerWaalsContact O-N 3.15Å; S107-L110 WeakPolarHBondContact OG-CB 3.39Å; S107-L110 PolarHBondContact OG-N 2.88Å; L110-L112 PolarHBondContact O-N 3.5Å; L110-E113 PolarHBondContact O-N 3.37Å; L110-V114 HydrophobicContact CD1-CG2 4.18Å; L110-V114 WeakPolarHBondContact O-CB 3.48Å; L110-V114 VanDerWaalsContact O-CG2 3.32Å; L110-V114 WeakPolarHBondContact O-CG2 3.36Å; L110-V114 PolarHBondContact O-N 3.45Å; L110-Y145 HydrophobicContact CD2-CD2 4.43Å; L110-L166 HydrophobicContact CD1-CD2 4Å; L110-L166 HydrophobicContact CD1-CG 3.85Å; L110-L166 HydrophobicContact CD2-CD2 3.63Å; L110-L166 HydrophobicContact CD2-CG 4.01Å; L110-L166 HydrophobicContact CG-CD2 4.45Å; L110-V167 HydrophobicContact CD1-CG2 3.62Å; L110-I170 HydrophobicContact CD1-CD1 4.11Å; L110-I170 HydrophobicContact CD2-CD1 4.09Å; L110-I170 HydrophobicContact CG-CD1 4.28Å |
| 111 | R | 98.8 | Very high | 98.7 | Very high | 1 Ų | 1 | 29.7 Ų | 29.7 | 0% | 0.004 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.8 | -47.8 | 175.9 | 172.4 | 170.8 | 177.6 | 76.4 | -3 | 112.2 | V106 S107 Q108 R109 V114 L115 H128 V131 L133 D466 N518 | V106-R111 HydrophobicContact CG1-CB 4.26Å; S107-R111 PolarHBondContact O-N 2.86Å; Q108-R111 PolarHBondContact O-N 2.81Å; R109-R111 VanDerWaalsContact C-N 3.31Å; R109-R111 PolarHBondContact O-N 3.02Å; R111-V114 PolarHBondContact O-N 3.37Å; R111-L115 HydrophobicContact CG-CD1 3.81Å; R111-L115 HydrophobicContact CG-CG 4.32Å; R111-L115 WeakPolarHBondContact O-CB 3.37Å; R111-L115 VanDerWaalsContact O-CG 3.31Å; R111-L115 WeakPolarHBondContact O-CG 3.19Å; R111-L115 PolarHBondContact O-N 2.85Å; R111-H128 PolarHBondContact NH2-O 3.43Å; R111-V131 PolarHBondContact NH1-O 2.78Å; R111-L133 HydrophobicContact CB-CD1 4.28Å; R111-L133 HydrophobicContact CG-CD1 4.48Å; R111-D466 IonicContact CZ-OD1 3.34Å; R111-D466 IonicContact NE-OD1 2.81Å; R111-D466 PolarHBondContact NE-OD1 3.43Å; R111-D466 IonicContact NH2-OD1 2.82Å; R111-D466 PolarHBondContact NH2-OD1 3.05Å; R111-N518 VanDerWaalsContact CB-O 3.31Å; R111-N518 WeakPolarHBondContact CB-O 3.39Å; R111-N518 VanDerWaalsContact CD-CB 3.41Å; R111-N518 VanDerWaalsContact CD-O 3.32Å; R111-N518 WeakPolarHBondContact CD-O 3.3Å; R111-N518 VanDerWaalsContact CZ-CG 3.47Å; R111-N518 PolarHBondContact NH1-OD1 3.25Å |
| 112 | L | 98.8 | Very high | 98.7 | Very high | 27 Ų | 27 | 31.6 Ų | 31.6 | 14% | 0.141 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.9 | -41 | -179.3 | -68.1 | 172.6 | 0 | 0 | 0 | 112.1 | Q108 R109 L110 L115 Q116 P575 F577 | Q108-L112 HydrophobicContact CG-CD1 4.12Å; Q108-L112 WeakPolarHBondContact O-CB 3.35Å; Q108-L112 WeakPolarHBondContact O-CG 3.09Å; Q108-L112 PolarHBondContact O-N 2.83Å; R109-L112 PolarHBondContact O-N 3.41Å; L110-L112 PolarHBondContact O-N 3.5Å; L112-L115 PolarHBondContact O-N 2.68Å; L112-Q116 VanDerWaalsContact O-CB 3.29Å; L112-Q116 WeakPolarHBondContact O-CB 3.39Å; L112-Q116 PolarHBondContact O-N 3.19Å; L112-P575 HydrophobicContact CD1-CG 4.25Å; L112-P575 HydrophobicContact CD2-CG 4.15Å; L112-F577 HydrophobicContact CB-CD2 3.79Å; L112-F577 HydrophobicContact CB-CE2 4.1Å; L112-F577 HydrophobicContact CD1-CB 4.26Å; L112-F577 HydrophobicContact CD1-CD2 3.87Å; L112-F577 HydrophobicContact CG-CD2 4.5Å |
| 113 | E | 98.7 | Very high | 98.7 | Very high | 33 Ų | 33 | 33.1 Ų | 33.1 | 15% | 0.154 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.5 | -42 | 175.6 | -70.5 | -173.4 | -171.2 | 0 | 0 | 111.9 | R109 L110 Q116 A117 Y158 V163 V167 F577 | R109-E113 HydrophobicContact CG-CG 4.39Å; R109-E113 IonicContact CZ-OE1 3.39Å; R109-E113 IonicContact NE-OE1 3.27Å; R109-E113 PolarHBondContact NE-OE1 2.94Å; R109-E113 IonicContact NH2-OE1 2.71Å; R109-E113 PolarHBondContact NH2-OE1 2.87Å; R109-E113 WeakPolarHBondContact O-CG 3.31Å; R109-E113 PolarHBondContact O-N 2.9Å; L110-E113 PolarHBondContact O-N 3.37Å; E113-Q116 PolarHBondContact O-N 3.23Å; E113-A117 WeakPolarHBondContact O-CB 3.49Å; E113-A117 PolarHBondContact O-N 3.21Å; E113-Y158 PolarHBondContact OE1-OH 2.78Å; E113-V163 VanDerWaalsContact OE2-CG1 3.3Å; E113-V163 WeakPolarHBondContact OE2-CG1 3.18Å; E113-V167 HydrophobicContact CB-CG1 4.36Å; E113-V167 HydrophobicContact CB-CG2 3.9Å; E113-V167 WeakPolarHBondContact OE2-CG2 3.44Å; E113-F577 HydrophobicContact CG-CE2 3.78Å; E113-F577 HydrophobicContact CG-CZ 3.91Å |
| 114 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64 | -47.7 | 175.2 | 169 | 0 | 0 | 0 | 0 | 111.4 | L110 R111 Q116 A117 L118 L133 V167 I170 V171 | L110-V114 HydrophobicContact CD1-CG2 4.18Å; L110-V114 WeakPolarHBondContact O-CB 3.48Å; L110-V114 VanDerWaalsContact O-CG2 3.32Å; L110-V114 WeakPolarHBondContact O-CG2 3.36Å; L110-V114 PolarHBondContact O-N 3.45Å; R111-V114 PolarHBondContact O-N 3.37Å; V114-Q116 VanDerWaalsContact C-N 3.29Å; V114-Q116 PolarHBondContact O-N 3.39Å; V114-A117 PolarHBondContact O-N 2.79Å; V114-L118 HydrophobicContact CG1-CD1 3.84Å; V114-L118 HydrophobicContact CG1-CG 4.28Å; V114-L118 WeakPolarHBondContact O-CB 3.48Å; V114-L118 VanDerWaalsContact O-CG 3.29Å; V114-L118 WeakPolarHBondContact O-CG 3.34Å; V114-L118 PolarHBondContact O-N 2.94Å; V114-L133 HydrophobicContact CB-CD1 4.03Å; V114-L133 HydrophobicContact CG1-CD1 3.95Å; V114-L133 HydrophobicContact CG1-CD2 4.45Å; V114-L133 HydrophobicContact CG2-CD1 4.3Å; V114-V167 HydrophobicContact CG2-CB 4.49Å; V114-V167 HydrophobicContact CG2-CG1 4.16Å; V114-V167 HydrophobicContact CG2-CG2 4.49Å; V114-I170 HydrophobicContact CB-CG2 4.5Å; V114-I170 HydrophobicContact CG1-CG2 3.75Å; V114-I170 HydrophobicContact CG2-CB 4.06Å; V114-I170 HydrophobicContact CG2-CD1 4.26Å; V114-I170 HydrophobicContact CG2-CG2 3.89Å; V114-V171 HydrophobicContact CG1-CG2 4.29Å |
| 115 | L | 98.8 | Very high | 98.6 | Very high | 20 Ų | 20 | 41.1 Ų | 41.1 | 11% | 0.105 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.3 | -36.9 | 179 | -72.6 | 175.5 | 0 | 0 | 0 | 111.8 | R111 L112 L118 K119 H128 V131 | R111-L115 HydrophobicContact CG-CD1 3.81Å; R111-L115 HydrophobicContact CG-CG 4.32Å; R111-L115 WeakPolarHBondContact O-CB 3.37Å; R111-L115 VanDerWaalsContact O-CG 3.31Å; R111-L115 WeakPolarHBondContact O-CG 3.19Å; R111-L115 PolarHBondContact O-N 2.85Å; L112-L115 PolarHBondContact O-N 2.68Å; L115-L118 PolarHBondContact O-N 3.12Å; L115-K119 VanDerWaalsContact O-CB 3.29Å; L115-K119 WeakPolarHBondContact O-CB 3.46Å; L115-K119 PolarHBondContact O-N 3.43Å; L115-H128 HydrophobicContact CD1-CB 4.06Å; L115-V131 HydrophobicContact CD2-CB 4.09Å; L115-V131 HydrophobicContact CD2-CG1 4.39Å; L115-V131 HydrophobicContact CD2-CG2 4.33Å |
| 116 | Q | 98.6 | Very high | 98.6 | Very high | 97 Ų | 97 | 40.9 Ų | 40.9 | 45% | 0.453 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -63.2 | -48.4 | 174 | -179.5 | 59.3 | 34.3 | 0 | 0 | 111.2 | L112 E113 V114 L118 K119 E120 | L112-Q116 VanDerWaalsContact O-CB 3.29Å; L112-Q116 WeakPolarHBondContact O-CB 3.39Å; L112-Q116 PolarHBondContact O-N 3.19Å; E113-Q116 PolarHBondContact O-N 3.23Å; V114-Q116 VanDerWaalsContact C-N 3.29Å; V114-Q116 PolarHBondContact O-N 3.39Å; Q116-L118 VanDerWaalsContact C-N 3.34Å; Q116-L118 PolarHBondContact O-N 3.12Å; Q116-K119 PolarHBondContact O-N 2.89Å; Q116-E120 PolarHBondContact NE2-OE1 3.05Å; Q116-E120 WeakPolarHBondContact O-CG 3.4Å; Q116-E120 PolarHBondContact O-N 3.18Å |
| 117 | A | 98.8 | Very high | 98.6 | Very high | 27 Ų | 27 | 44.3 Ų | 44.3 | 22% | 0.223 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.2 | -38.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | E113 V114 E120 K121 V171 | E113-A117 WeakPolarHBondContact O-CB 3.49Å; E113-A117 PolarHBondContact O-N 3.21Å; V114-A117 PolarHBondContact O-N 2.79Å; A117-E120 PolarHBondContact O-N 2.83Å; A117-K121 PolarHBondContact O-N 3.39Å; A117-K121 VanDerWaalsContact O-N 3.16Å; A117-V171 HydrophobicContact CB-CG2 3.75Å |
| 118 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.4 | -41.6 | 174.1 | -70.8 | 172.9 | 0 | 0 | 0 | 111.6 | V114 L115 Q116 K121 Y122 Y126 V131 V171 I174 | V114-L118 HydrophobicContact CG1-CD1 3.84Å; V114-L118 HydrophobicContact CG1-CG 4.28Å; V114-L118 WeakPolarHBondContact O-CB 3.48Å; V114-L118 VanDerWaalsContact O-CG 3.29Å; V114-L118 WeakPolarHBondContact O-CG 3.34Å; V114-L118 PolarHBondContact O-N 2.94Å; L115-L118 PolarHBondContact O-N 3.12Å; Q116-L118 VanDerWaalsContact C-N 3.34Å; Q116-L118 PolarHBondContact O-N 3.12Å; L118-K121 PolarHBondContact O-N 3.33Å; L118-Y122 HydrophobicContact CD2-CD2 4.07Å; L118-Y122 HydrophobicContact CD2-CE2 4.28Å; L118-Y122 WeakPolarHBondContact O-CA 3.39Å; L118-Y122 VanDerWaalsContact O-CB 3.31Å; L118-Y122 WeakPolarHBondContact O-CB 3.35Å; L118-Y122 PolarHBondContact O-N 2.97Å; L118-Y126 HydrophobicContact CD2-CD2 4.18Å; L118-V131 HydrophobicContact CD1-CG2 4.44Å; L118-V171 HydrophobicContact CD2-CG1 4.4Å; L118-I174 HydrophobicContact CD1-CD1 3.76Å; L118-I174 HydrophobicContact CD2-CB 4.33Å; L118-I174 HydrophobicContact CD2-CD1 4.16Å; L118-I174 HydrophobicContact CD2-CG2 3.89Å |
| 119 | K | 98.6 | Very high | 98.5 | Very high | 119 Ų | 119 | 48.3 Ų | 48.3 | 52% | 0.517 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.2 | -41.8 | 176.8 | -175.8 | 177.2 | -177.8 | 178.3 | 0 | 112 | L115 Q116 K121 G123 | L115-K119 VanDerWaalsContact O-CB 3.29Å; L115-K119 WeakPolarHBondContact O-CB 3.46Å; L115-K119 PolarHBondContact O-N 3.43Å; Q116-K119 PolarHBondContact O-N 2.89Å; K119-K121 VanDerWaalsContact C-N 3.3Å; K119-K121 PolarHBondContact O-N 3.07Å; K119-G123 VanDerWaalsContact O-CA 3.26Å; K119-G123 WeakPolarHBondContact O-CA 3.38Å; K119-G123 PolarHBondContact O-N 3.41Å |
| 120 | E | 98.6 | Very high | 98.5 | Very high | 145 Ų | 145 | 47.6 Ų | 47.6 | 68% | 0.678 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -61.1 | -38.3 | 176 | -75.1 | 171.8 | -167 | 0 | 0 | 112.3 | Q116 A117 | Q116-E120 PolarHBondContact NE2-OE1 3.05Å; Q116-E120 WeakPolarHBondContact O-CG 3.4Å; Q116-E120 PolarHBondContact O-N 3.18Å; A117-E120 PolarHBondContact O-N 2.83Å |
| 121 | K | 98.6 | Very high | 98.5 | Very high | 113 Ų | 113 | 47.6 Ų | 47.6 | 49% | 0.491 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -86.4 | -36.5 | -177.7 | -174.2 | 166.1 | 176.9 | 170.1 | 0 | 114.1 | A117 L118 K119 D175 | A117-K121 PolarHBondContact O-N 3.39Å; A117-K121 VanDerWaalsContact O-N 3.16Å; L118-K121 PolarHBondContact O-N 3.33Å; K119-K121 VanDerWaalsContact C-N 3.3Å; K119-K121 PolarHBondContact O-N 3.07Å; K121-D175 WeakPolarHBondContact CE-OD1 2.96Å; K121-D175 IonicContact NZ-OD1 2.85Å; K121-D175 PolarHBondContact NZ-OD1 2.89Å; K121-D175 IonicContact NZ-OD2 3.01Å; K121-D175 PolarHBondContact NZ-OD2 2.82Å |
| 122 | Y | 98.6 | Very high | 98.5 | Very high | 41 Ų | 41 | 47.5 Ų | 47.5 | 16% | 0.161 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -123 | 3 | -166.3 | -67.5 | -71.5 | 0 | 0 | 0 | 114.4 | L118 D124 L125 Y126 D175 H178 | L118-Y122 HydrophobicContact CD2-CD2 4.07Å; L118-Y122 HydrophobicContact CD2-CE2 4.28Å; L118-Y122 WeakPolarHBondContact O-CA 3.39Å; L118-Y122 VanDerWaalsContact O-CB 3.31Å; L118-Y122 WeakPolarHBondContact O-CB 3.35Å; L118-Y122 PolarHBondContact O-N 2.97Å; Y122-D124 PolarHBondContact O-N 3.43Å; Y122-L125 HydrophobicContact CD1-CD2 4.25Å; Y122-L125 WeakPolarHBondContact O-CB 3.24Å; Y122-L125 PolarHBondContact O-N 2.81Å; Y122-Y126 HydrophobicContact CD1-CD2 4.43Å; Y122-Y126 AromaticContact CD1-CE2 4Å; Y122-Y126 HydrophobicContact CD1-CE2 4Å; Y122-Y126 AromaticContact CD2-CD2 3.62Å; Y122-Y126 HydrophobicContact CD2-CD2 3.62Å; Y122-Y126 AromaticContact CD2-CE2 3.71Å; Y122-Y126 HydrophobicContact CD2-CE2 3.71Å; Y122-Y126 HydrophobicContact CE1-CE2 4.24Å; Y122-Y126 HydrophobicContact CE2-CD2 4.27Å; Y122-Y126 AromaticContact CE2-CE2 3.98Å; Y122-Y126 HydrophobicContact CE2-CE2 3.98Å; Y122-Y126 AromaticContact CG-CD2 3.7Å; Y122-Y126 HydrophobicContact CG-CD2 3.7Å; Y122-Y126 AromaticContact CG-CE2 3.7Å; Y122-Y126 HydrophobicContact CG-CE2 3.7Å; Y122-D175 PolarHBondContact OH-OD1 3.06Å; Y122-H178 AromaticContact CE1-CD2 3.45Å; Y122-H178 VanDerWaalsContact CE1-CD2 3.45Å; Y122-H178 WeakPolarHBondContact CE1-CD2 3.5Å; Y122-H178 AromaticContact CE1-CG 3.98Å; Y122-H178 AromaticContact CE1-NE2 3.55Å; Y122-H178 AromaticContact CZ-CD2 3.83Å; Y122-H178 PolarHBondContact OH-CD2 2.87Å |
| 123 | G | 98.4 | Very high | 98.5 | Very high | 34 Ų | 34 | 46.3 Ų | 46.3 | 35% | 0.351 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | 59.9 | -132.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | K119 L125 | K119-G123 VanDerWaalsContact O-CA 3.26Å; K119-G123 WeakPolarHBondContact O-CA 3.38Å; K119-G123 PolarHBondContact O-N 3.41Å; G123-L125 VanDerWaalsContact C-N 3.28Å; G123-L125 PolarHBondContact O-N 2.98Å |
| 124 | D | 97.6 | Very high | 98.6 | Very high | 117 Ų | 117 | 44.7 Ų | 44.7 | 63% | 0.626 | 22% | 0.221 | S | C | * | . | G | 310 helix | trans | -87.8 | 13.4 | -176.3 | -62.4 | -47.1 | 0 | 0 | 0 | 114 | Y122 R127 | Y122-D124 PolarHBondContact O-N 3.43Å; D124-R127 VanDerWaalsContact O-CD 3.27Å; D124-R127 WeakPolarHBondContact O-CD 3.41Å; D124-R127 VanDerWaalsContact O-CG 3.23Å; D124-R127 WeakPolarHBondContact O-CG 3.19Å; D124-R127 PolarHBondContact O-NH1 2.96Å |
| 125 | L | 98.4 | Very high | 98.5 | Very high | 57 Ų | 57 | 44.7 Ų | 44.7 | 30% | 0.298 | 22% | 0.221 | S | C | . | . | G | 310 helix | trans | -69.5 | -42.1 | -179.7 | -179.8 | 61 | 0 | 0 | 0 | 112.5 | Y122 G123 N130 | Y122-L125 HydrophobicContact CD1-CD2 4.25Å; Y122-L125 WeakPolarHBondContact O-CB 3.24Å; Y122-L125 PolarHBondContact O-N 2.81Å; G123-L125 VanDerWaalsContact C-N 3.28Å; G123-L125 PolarHBondContact O-N 2.98Å; L125-N130 PolarHBondContact O-ND2 3.48Å |
| 126 | Y | 98.7 | Very high | 98.5 | Very high | 3 Ų | 3 | 43.8 Ų | 43.8 | 1% | 0.012 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -117.8 | 113 | -179.4 | -59.5 | -52.4 | 0 | 0 | 0 | 109.8 | I88 R95 V97 L118 Y122 V131 I174 H178 | I88-Y126 HydrophobicContact CD1-CE1 4.21Å; I88-Y126 WeakPolarHBondContact CD1-OH 3.31Å; R95-Y126 HydrophobicContact CG-CE1 4.4Å; R95-Y126 PolarHBondContact NH1-OH 2.9Å; V97-Y126 HydrophobicContact CG2-CD1 3.42Å; V97-Y126 VanDerWaalsContact CG2-CD1 3.42Å; V97-Y126 HydrophobicContact CG2-CE1 3.43Å; V97-Y126 VanDerWaalsContact CG2-CE1 3.43Å; V97-Y126 HydrophobicContact CG2-CG 4.44Å; L118-Y126 HydrophobicContact CD2-CD2 4.18Å; Y122-Y126 HydrophobicContact CD1-CD2 4.43Å; Y122-Y126 AromaticContact CD1-CE2 4Å; Y122-Y126 HydrophobicContact CD1-CE2 4Å; Y122-Y126 AromaticContact CD2-CD2 3.62Å; Y122-Y126 HydrophobicContact CD2-CD2 3.62Å; Y122-Y126 AromaticContact CD2-CE2 3.71Å; Y122-Y126 HydrophobicContact CD2-CE2 3.71Å; Y122-Y126 HydrophobicContact CE1-CE2 4.24Å; Y122-Y126 HydrophobicContact CE2-CD2 4.27Å; Y122-Y126 AromaticContact CE2-CE2 3.98Å; Y122-Y126 HydrophobicContact CE2-CE2 3.98Å; Y122-Y126 AromaticContact CG-CD2 3.7Å; Y122-Y126 HydrophobicContact CG-CD2 3.7Å; Y122-Y126 AromaticContact CG-CE2 3.7Å; Y122-Y126 HydrophobicContact CG-CE2 3.7Å; Y126-V131 HydrophobicContact CD1-CG2 4.42Å; Y126-V131 HydrophobicContact CG-CG2 4.49Å; Y126-I174 HydrophobicContact CD2-CG2 4.44Å; Y126-I174 HydrophobicContact CE2-CG2 4.2Å; Y126-H178 AromaticContact CZ-ND1 3.93Å; Y126-H178 WeakPolarHBondContact OH-CB 3.08Å; Y126-H178 PolarHBondContact OH-ND1 3.19Å |
| 127 | R | 98.2 | Very high | 98.6 | Very high | 75 Ų | 75 | 39.2 Ų | 39.2 | 28% | 0.283 | 20% | 0.195 | S | C | . | . | trans | -132.1 | 173.1 | -167.3 | -61.7 | -177 | -48.5 | -77.9 | -4.6 | 110.4 | D124 D129 N130 V131 | D124-R127 VanDerWaalsContact O-CD 3.27Å; D124-R127 WeakPolarHBondContact O-CD 3.41Å; D124-R127 VanDerWaalsContact O-CG 3.23Å; D124-R127 WeakPolarHBondContact O-CG 3.19Å; D124-R127 PolarHBondContact O-NH1 2.96Å; R127-D129 WeakPolarHBondContact CB-OD1 3.4Å; R127-D129 IonicContact CZ-OD1 2.9Å; R127-D129 IonicContact CZ-OD2 3.51Å; R127-D129 IonicContact NE-OD1 3.63Å; R127-D129 PolarHBondContact NE-OD1 3.05Å; R127-D129 IonicContact NE-OD2 3.84Å; R127-D129 PolarHBondContact NE-OD2 2.82Å; R127-D129 IonicContact NH2-OD1 2.94Å; R127-D129 PolarHBondContact NH2-OD1 2.98Å; R127-D129 IonicContact NH2-OD2 2.78Å; R127-D129 PolarHBondContact NH2-OD2 2.96Å; R127-D129 PolarHBondContact O-N 3.33Å; R127-N130 PolarHBondContact N-OD1 3.4Å; R127-N130 PolarHBondContact O-N 2.82Å; R127-N130 PolarHBondContact O-OD1 2.72Å; R127-V131 WeakPolarHBondContact O-CB 3.2Å; R127-V131 WeakPolarHBondContact O-CG2 2.94Å; R127-V131 PolarHBondContact O-N 3.33Å; R127-V131 VanDerWaalsContact O-N 3.07Å | ||
| 128 | H | 97.4 | Very high | 98.6 | Very high | 59 Ų | 59 | 37.9 Ų | 37.9 | 27% | 0.273 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -31.5 | 178.7 | 57.1 | -94.8 | 0 | 0 | 0 | 113 | R111 L115 H370 W372 Q468 | R111-H128 PolarHBondContact NH2-O 3.43Å; L115-H128 HydrophobicContact CD1-CB 4.06Å; H128-H370 AromaticContact CD2-CE1 3.72Å; H128-H370 AromaticContact CD2-CG 3.87Å; H128-H370 AromaticContact CD2-ND1 3.32Å; H128-H370 PolarHBondContact CD2-ND1 3.01Å; H128-H370 VanDerWaalsContact CD2-ND1 3.32Å; H128-W372 HydrophobicContact CB-CZ2 4.1Å; H128-W372 AromaticContact ND1-CH2 3.99Å; H128-Q468 PolarHBondContact O-NE2 3.34Å |
| 129 | D | 98.2 | Very high | 98.5 | Very high | 28 Ų | 28 | 38.6 Ų | 38.6 | 15% | 0.15 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -30.5 | -176.2 | 57.5 | -35.2 | 0 | 0 | 0 | 113.8 | R127 F368 H370 Q468 | R127-D129 WeakPolarHBondContact CB-OD1 3.4Å; R127-D129 IonicContact CZ-OD1 2.9Å; R127-D129 IonicContact CZ-OD2 3.51Å; R127-D129 IonicContact NE-OD1 3.63Å; R127-D129 PolarHBondContact NE-OD1 3.05Å; R127-D129 IonicContact NE-OD2 3.84Å; R127-D129 PolarHBondContact NE-OD2 2.82Å; R127-D129 IonicContact NH2-OD1 2.94Å; R127-D129 PolarHBondContact NH2-OD1 2.98Å; R127-D129 IonicContact NH2-OD2 2.78Å; R127-D129 PolarHBondContact NH2-OD2 2.96Å; R127-D129 PolarHBondContact O-N 3.33Å; D129-F368 HydrophobicContact CB-CD2 3.88Å; D129-F368 HydrophobicContact CB-CE2 4.16Å; D129-F368 WeakPolarHBondContact O-CB 3.29Å; D129-F368 WeakPolarHBondContact OD2-CE2 3.34Å; D129-H370 HydrophobicContact CB-CB 3.97Å; D129-Q468 VanDerWaalsContact C-NE2 3.27Å; D129-Q468 PolarHBondContact O-NE2 2.97Å |
| 130 | N | 98.8 | Very high | 98.5 | Very high | 3 Ų | 3 | 32.9 Ų | 32.9 | 2% | 0.016 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.3 | 1.8 | -177 | 74.9 | -23.1 | 0 | 0 | 0 | 115.5 | R95 V96 V97 L125 R127 F368 | R95-N130 VanDerWaalsContact O-CB 3.3Å; R95-N130 WeakPolarHBondContact O-CB 3.23Å; R95-N130 PolarHBondContact O-ND2 3.34Å; V96-N130 CarbonylContact C-O 3.57Å; V96-N130 WeakPolarHBondContact CA-O 3.47Å; V96-N130 HydrophobicContact CG1-CB 4.38Å; V97-N130 PolarHBondContact N-O 3.48Å; L125-N130 PolarHBondContact O-ND2 3.48Å; R127-N130 PolarHBondContact N-OD1 3.4Å; R127-N130 PolarHBondContact O-N 2.82Å; R127-N130 PolarHBondContact O-OD1 2.72Å; N130-F368 HydrophobicContact CB-CD1 3.7Å; N130-F368 HydrophobicContact CB-CD2 4.33Å; N130-F368 HydrophobicContact CB-CE1 3.78Å; N130-F368 HydrophobicContact CB-CE2 4.47Å; N130-F368 HydrophobicContact CB-CG 3.98Å; N130-F368 HydrophobicContact CB-CZ 4.19Å |
| 131 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 120.6 | 173.5 | -178.9 | 0 | 0 | 0 | 0 | 110.8 | V97 R111 L115 L118 Y126 R127 L133 Q468 | V97-V131 HydrophobicContact CB-CG1 4.39Å; V97-V131 HydrophobicContact CB-CG2 4.15Å; V97-V131 HydrophobicContact CG2-CG2 4.19Å; R111-V131 PolarHBondContact NH1-O 2.78Å; L115-V131 HydrophobicContact CD2-CB 4.09Å; L115-V131 HydrophobicContact CD2-CG1 4.39Å; L115-V131 HydrophobicContact CD2-CG2 4.33Å; L118-V131 HydrophobicContact CD1-CG2 4.44Å; Y126-V131 HydrophobicContact CD1-CG2 4.42Å; Y126-V131 HydrophobicContact CG-CG2 4.49Å; R127-V131 WeakPolarHBondContact O-CB 3.2Å; R127-V131 WeakPolarHBondContact O-CG2 2.94Å; R127-V131 PolarHBondContact O-N 3.33Å; R127-V131 VanDerWaalsContact O-N 3.07Å; V131-L133 HydrophobicContact CG1-CD2 3.84Å; V131-L133 HydrophobicContact CG1-CG 4.27Å; V131-Q468 PolarHBondContact O-NE2 2.69Å; V131-Q468 PolarHBondContact O-OE1 2.52Å |
| 132 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 128.5 | 170.6 | 175.5 | 0 | 0 | 0 | 0 | 109 | V97 F98 V99 Q468 I470 A479 | V97-V132 PolarHBondContact O-N 3.43Å; F98-V132 HydrophobicContact CD2-CB 3.93Å; F98-V132 HydrophobicContact CD2-CG1 3.69Å; F98-V132 HydrophobicContact CE2-CG1 3.79Å; V99-V132 PolarHBondContact N-O 2.83Å; V132-Q468 HydrophobicContact CG2-CG 4.18Å; V132-I470 HydrophobicContact CG2-CD1 4.04Å; V132-I470 HydrophobicContact CG2-CG1 4.26Å; V132-I470 HydrophobicContact CG2-CG2 3.83Å; V132-A479 HydrophobicContact CG1-CB 3.7Å; V132-A479 HydrophobicContact CG2-CB 4.03Å |
| 133 | L | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 19.4 Ų | 19.4 | 1% | 0.005 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 121.5 | 171.1 | -53.7 | -179.1 | 0 | 0 | 0 | 108.6 | V99 V106 R111 V114 V131 I170 S517 N518 | V99-L133 HydrophobicContact CB-CD2 3.72Å; V99-L133 HydrophobicContact CG1-CD2 4.35Å; V99-L133 HydrophobicContact CG2-CD2 3.68Å; V106-L133 HydrophobicContact CG1-CB 4Å; V106-L133 HydrophobicContact CG1-CD1 4.46Å; V106-L133 HydrophobicContact CG2-CB 4.04Å; V106-L133 WeakPolarHBondContact CG2-O 3.31Å; R111-L133 HydrophobicContact CB-CD1 4.28Å; R111-L133 HydrophobicContact CG-CD1 4.48Å; V114-L133 HydrophobicContact CB-CD1 4.03Å; V114-L133 HydrophobicContact CG1-CD1 3.95Å; V114-L133 HydrophobicContact CG1-CD2 4.45Å; V114-L133 HydrophobicContact CG2-CD1 4.3Å; V131-L133 HydrophobicContact CG1-CD2 3.84Å; V131-L133 HydrophobicContact CG1-CG 4.27Å; L133-I170 HydrophobicContact CD2-CG2 3.9Å; L133-S517 CarbonylContact O-C 3.6Å; L133-S517 WeakPolarHBondContact O-CA 3.39Å; L133-N518 PolarHBondContact N-OD1 2.77Å; L133-N518 VanDerWaalsContact N-OD1 3.14Å; L133-N518 PolarHBondContact O-N 3.09Å |
| 134 | S | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 142.3 | -179.9 | 177.1 | 0 | 0 | 0 | 0 | 111.4 | V99 T100 A101 G515 S517 | V99-S134 PolarHBondContact O-N 2.99Å; T100-S134 CarbonylContact C-O 3.58Å; T100-S134 WeakPolarHBondContact CA-O 3.43Å; A101-S134 PolarHBondContact N-O 3.31Å; S134-G515 PolarHBondContact OG-O 3.44Å; S134-S517 WeakPolarHBondContact CB-OG 3.39Å |
| 135 | G | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 6% | 0.059 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 143.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | A101 H137 S290 L516 | A101-G135 WeakPolarHBondContact O-CA 3.36Å; G135-H137 PolarHBondContact O-N 3.17Å; G135-S290 WeakPolarHBondContact O-CB 3.5Å; G135-S290 PolarHBondContact O-OG 3.31Å; G135-L516 PolarHBondContact N-O 3.07Å |
| 136 | T | 98.8 | Very high | 98.4 | Very high | 1 Ų | 1 | 9.9 Ų | 9.9 | 1% | 0.006 | 5% | 0.046 | C | C | . | . | trans | -67.2 | -17.1 | 170.7 | 61.5 | 0 | 0 | 0 | 0 | 113 | A101 D102 F288 | A101-T136 WeakPolarHBondContact O-CG2 2.95Å; A101-T136 PolarHBondContact O-N 2.79Å; D102-T136 WeakPolarHBondContact OD1-CG2 3.38Å; T136-F288 WeakPolarHBondContact CG2-O 3.46Å | ||
| 137 | H | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 9.8 Ų | 9.8 | 0% | 0 | 5% | 0.045 | C | C | . | . | trans | 73 | 32.2 | -175.5 | -156.8 | 40.7 | 0 | 0 | 0 | 115.2 | V103 G104 G135 H139 H246 A247 L293 E483 L516 | V103-H137 PolarHBondContact O-N 3.22Å; G104-H137 VanDerWaalsContact O-CA 3.28Å; G104-H137 WeakPolarHBondContact O-CA 3.43Å; G104-H137 PolarHBondContact O-ND1 3.5Å; G135-H137 PolarHBondContact O-N 3.17Å; H137-H139 AromaticContact CD2-NE2 3.72Å; H137-H139 AromaticContact CE1-CD2 3.97Å; H137-H139 AromaticContact CE1-NE2 3.2Å; H137-H139 PolarHBondContact CE1-NE2 3.45Å; H137-H139 AromaticContact ND1-NE2 3.78Å; H137-H139 AromaticContact NE2-NE2 3.08Å; H137-H139 PolarHBondContact NE2-NE2 3.25Å; H137-H139 PolarHBondContact O-CD2 2.92Å; H137-H139 VanDerWaalsContact O-CD2 3.29Å; H137-H139 PolarHBondContact O-N 2.88Å; H137-H246 AromaticContact CD2-CD2 3.2Å; H137-H246 PolarHBondContact CD2-CD2 3.28Å; H137-H246 AromaticContact CD2-NE2 3.52Å; H137-H246 AromaticContact NE2-CD2 3.21Å; H137-H246 PolarHBondContact NE2-CD2 2.99Å; H137-H246 AromaticContact NE2-NE2 3.25Å; H137-H246 PolarHBondContact NE2-NE2 3.11Å; H137-A247 VanDerWaalsContact O-CB 3.31Å; H137-A247 WeakPolarHBondContact O-CB 3.49Å; H137-L293 HydrophobicContact CB-CD2 4.08Å; H137-E483 IonicContact CD2-OE2 2.58Å; H137-E483 IonicContact CE1-OE1 3.67Å; H137-E483 IonicContact CE1-OE2 2.69Å; H137-E483 IonicContact NE2-OE1 3.24Å; H137-E483 IonicContact NE2-OE2 3.82Å; H137-E483 PolarHBondContact NE2-OE2 3.37Å; H137-L516 HydrophobicContact CB-CD1 4.02Å; H137-L516 HydrophobicContact CB-CD2 3.59Å; H137-L516 HydrophobicContact CB-CG 4.47Å; H137-L516 WeakPolarHBondContact ND1-CD2 3.46Å | ||
| 138 | T | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 6.5 Ų | 6.5 | 0% | 0 | 3% | 0.033 | C | C | . | . | B | Isolated β-bridge | trans | -64.4 | 130.3 | 168 | 175.8 | 0 | 0 | 0 | 0 | 111.2 | G104 C140 S258 | G104-T138 WeakPolarHBondContact CA-O 3.47Å; G104-T138 PolarHBondContact N-O 2.85Å; T138-C140 PolarHBondContact O-N 3.43Å; T138-C140 PolarHBondContact OG1-N 2.96Å; T138-C140 VanDerWaalsContact OG1-N 3.16Å; T138-S258 PolarHBondContact OG1-O 3.15Å |
| 139 | H | 98.6 | Very high | 98.3 | Very high | 14 Ų | 14 | 3.8 Ų | 3.8 | 7% | 0.065 | 2% | 0.02 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | 14.3 | 174 | -75.2 | -138 | 0 | 0 | 0 | 113.1 | M66 G67 Y68 H137 A247 V248 | M66-H139 CarbonylContact O-C 3.57Å; M66-H139 VanDerWaalsContact O-C 3.24Å; M66-H139 WeakPolarHBondContact O-CA 3.48Å; G67-H139 VanDerWaalsContact C-ND1 3.33Å; G67-H139 VanDerWaalsContact CA-ND1 3.26Å; G67-H139 WeakPolarHBondContact CA-ND1 3.23Å; Y68-H139 AromaticContact CD1-ND1 3.9Å; Y68-H139 HydrophobicContact CD2-CB 3.76Å; Y68-H139 AromaticContact CD2-ND1 4Å; Y68-H139 AromaticContact CE1-ND1 3.92Å; Y68-H139 HydrophobicContact CE2-CB 3.43Å; Y68-H139 VanDerWaalsContact CE2-CB 3.43Å; Y68-H139 AromaticContact CG-ND1 3.94Å; Y68-H139 AromaticContact CZ-ND1 4Å; Y68-H139 PolarHBondContact N-ND1 2.89Å; H137-H139 AromaticContact CD2-NE2 3.72Å; H137-H139 AromaticContact CE1-CD2 3.97Å; H137-H139 AromaticContact CE1-NE2 3.2Å; H137-H139 PolarHBondContact CE1-NE2 3.45Å; H137-H139 AromaticContact ND1-NE2 3.78Å; H137-H139 AromaticContact NE2-NE2 3.08Å; H137-H139 PolarHBondContact NE2-NE2 3.25Å; H137-H139 PolarHBondContact O-CD2 2.92Å; H137-H139 VanDerWaalsContact O-CD2 3.29Å; H137-H139 PolarHBondContact O-N 2.88Å; H139-A247 PolarHBondContact N-O 2.72Å; H139-V248 HydrophobicContact CB-CG1 4.19Å; H139-V248 VanDerWaalsContact CD2-CG1 3.43Å; H139-V248 WeakPolarHBondContact CD2-CG1 3.08Å |
| 140 | C | 98.4 | Very high | 98.2 | Very high | 0 Ų | 0 | 3.1 Ų | 3.1 | 0% | 0 | 2% | 0.017 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.8 | 15.3 | -175.5 | -59.8 | 0 | 0 | 0 | 0 | 113.4 | T138 M250 N254 V257 S258 | T138-C140 PolarHBondContact O-N 3.43Å; T138-C140 PolarHBondContact OG1-N 2.96Å; T138-C140 VanDerWaalsContact OG1-N 3.16Å; C140-M250 WeakPolarHBondContact SG-CB 3.4Å; C140-N254 PolarHBondContact SG-ND2 3.18Å; C140-V257 VanDerWaalsContact O-CA 3.31Å; C140-V257 WeakPolarHBondContact O-CA 3.49Å; C140-S258 VanDerWaalsContact CB-O 3.29Å; C140-S258 WeakPolarHBondContact CB-O 3.39Å; C140-S258 PolarHBondContact O-N 3.46Å |
| 141 | G | 98.1 | Very high | 98.1 | Very high | 4 Ų | 4 | 3.6 Ų | 3.6 | 4% | 0.041 | 2% | 0.019 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 148.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | L65 M66 A143 | L65-G141 CarbonylContact C-O 3.56Å; L65-G141 WeakPolarHBondContact CA-O 3.43Å; M66-G141 PolarHBondContact N-O 2.88Å; G141-A143 PolarHBondContact O-N 3.45Å |
| 142 | P | 97.7 | Very high | 97.9 | Very high | 11 Ų | 11 | 3.6 Ų | 3.6 | 7% | 0.071 | 2% | 0.019 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.7 | 135.5 | 172.8 | -24.6 | 34.4 | 0 | 0 | 0 | 112.9 | I63 Y145 A162 V257 | I63-P142 HydrophobicContact CG2-CB 3.95Å; P142-Y145 WeakPolarHBondContact O-CE1 3.26Å; P142-A162 HydrophobicContact CB-CB 4.37Å; P142-V257 HydrophobicContact CG-CG2 3.97Å |
| 143 | A | 97.8 | Very high | 97.7 | Very high | 1 Ų | 1 | 7.3 Ų | 7.3 | 1% | 0.008 | 4% | 0.038 | C | C | . | . | trans | -79.9 | -173.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | P64 M66 G141 A162 | P64-A143 HydrophobicContact CB-CB 4.1Å; P64-A143 WeakPolarHBondContact O-CB 3.26Å; P64-A143 PolarHBondContact O-N 3.28Å; M66-A143 HydrophobicContact CB-CB 4.13Å; M66-A143 HydrophobicContact CE-CB 3.67Å; G141-A143 PolarHBondContact O-N 3.45Å; A143-A162 WeakPolarHBondContact O-CB 3.41Å | ||
| 144 | G | 97.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 10.4 Ų | 10.4 | 0% | 0 | 6% | 0.058 | C | C | . | . | trans | 94.6 | 20.8 | 167.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | S155 G157 Y158 I159 V163 | G144-S155 PolarHBondContact N-OG 3.16Å; G144-G157 VanDerWaalsContact CA-O 3.25Å; G144-G157 WeakPolarHBondContact CA-O 3.46Å; G144-Y158 CarbonylContact O-C 3.53Å; G144-Y158 WeakPolarHBondContact O-CA 3.43Å; G144-I159 PolarHBondContact O-N 3.4Å; G144-V163 WeakPolarHBondContact O-CG2 3.13Å | ||
| 145 | Y | 97.9 | Very high | 97 | Very high | 3 Ų | 3 | 10.5 Ų | 10.5 | 1% | 0.012 | 6% | 0.058 | C | C | . | . | trans | -111.8 | 20.5 | -178.3 | 59.3 | -94.8 | 0 | 0 | 0 | 114.4 | M66 V103 M105 S107 L110 P142 L166 | M66-Y145 HydrophobicContact CB-CE1 4.37Å; M66-Y145 HydrophobicContact CE-CE1 4.39Å; M66-Y145 HydrophobicContact CG-CE1 4.38Å; M66-Y145 WeakPolarHBondContact CG-OH 3.48Å; V103-Y145 HydrophobicContact CG2-CE1 3.95Å; V103-Y145 HydrophobicContact CG2-CE2 4.06Å; V103-Y145 VanDerWaalsContact CG2-OH 3.27Å; V103-Y145 WeakPolarHBondContact CG2-OH 3.3Å; M105-Y145 PolarHBondContact N-OH 2.94Å; M105-Y145 WeakPolarHBondContact O-CE2 3.4Å; M105-Y145 PolarHBondContact O-OH 2.89Å; S107-Y145 WeakPolarHBondContact CB-O 3.36Å; S107-Y145 PolarHBondContact OG-O 3.49Å; L110-Y145 HydrophobicContact CD2-CD2 4.43Å; P142-Y145 WeakPolarHBondContact O-CE1 3.26Å; Y145-L166 HydrophobicContact CD1-CD2 4.13Å; Y145-L166 HydrophobicContact CD2-CD2 4.29Å; Y145-L166 HydrophobicContact CG-CD2 3.96Å | ||
| 146 | F | 98.4 | Very high | 96.8 | Very high | 4 Ų | 4 | 14 Ų | 14 | 2% | 0.018 | 7% | 0.073 | C | C | . | . | trans | -103.7 | 159.8 | 178.1 | -72.8 | -99.3 | 0 | 0 | 0 | 112.1 | M66 M105 S107 F151 Y520 | M66-F146 HydrophobicContact CE-CD2 3.68Å; M66-F146 HydrophobicContact CE-CE2 3.43Å; M66-F146 VanDerWaalsContact CE-CE2 3.43Å; M66-F146 HydrophobicContact CG-CE2 4.41Å; M66-F146 HydrophobicContact SD-CE2 3.88Å; M105-F146 HydrophobicContact CB-CZ 4.34Å; M105-F146 HydrophobicContact SD-CZ 4.36Å; S107-F146 VanDerWaalsContact CB-CD1 3.44Å; F146-F151 HydrophobicContact CB-CB 3.56Å; F146-F151 HydrophobicContact CB-CD2 4.4Å; F146-F151 HydrophobicContact CB-CG 4.36Å; F146-F151 HydrophobicContact CD1-CB 3.64Å; F146-F151 HydrophobicContact CD1-CD1 4.41Å; F146-F151 AromaticContact CD1-CD2 3.39Å; F146-F151 HydrophobicContact CD1-CD2 3.39Å; F146-F151 HydrophobicContact CD1-CE2 4.15Å; F146-F151 AromaticContact CD1-CG 3.55Å; F146-F151 HydrophobicContact CD1-CG 3.55Å; F146-F151 HydrophobicContact CD2-CB 3.87Å; F146-F151 HydrophobicContact CD2-CG 4.49Å; F146-F151 HydrophobicContact CE1-CB 4.26Å; F146-F151 HydrophobicContact CE1-CD1 4.29Å; F146-F151 AromaticContact CE1-CD2 3.84Å; F146-F151 HydrophobicContact CE1-CD2 3.84Å; F146-F151 HydrophobicContact CE1-CE2 4.26Å; F146-F151 AromaticContact CE1-CG 3.86Å; F146-F151 HydrophobicContact CE1-CG 3.86Å; F146-F151 HydrophobicContact CE2-CB 4.46Å; F146-F151 HydrophobicContact CG-CB 3.42Å; F146-F151 VanDerWaalsContact CG-CB 3.42Å; F146-F151 HydrophobicContact CG-CD2 4.08Å; F146-F151 AromaticContact CG-CG 3.9Å; F146-F151 HydrophobicContact CG-CG 3.9Å; F146-F151 HydrophobicContact CZ-CG 4.45Å; F146-Y520 HydrophobicContact CE1-CD1 4.33Å | ||
| 147 | Q | 97.9 | Very high | 96.7 | Very high | 1 Ų | 1 | 14 Ų | 14 | 1% | 0.005 | 7% | 0.073 | C | C | . | . | trans | -111 | -15.7 | 172.2 | 69.8 | 176.5 | -5.8 | 0 | 0 | 114.4 | R109 M152 P576 F578 L582 | R109-Q147 HydrophobicContact CB-CB 3.9Å; R109-Q147 HydrophobicContact CB-CG 4.02Å; R109-Q147 HydrophobicContact CG-CB 4.3Å; Q147-M152 WeakPolarHBondContact O-CE 3.12Å; Q147-P576 PolarHBondContact NE2-O 3.03Å; Q147-P576 PolarHBondContact OE1-O 2.86Å; Q147-F578 HydrophobicContact CB-CD2 3.81Å; Q147-F578 HydrophobicContact CG-CD2 3.76Å; Q147-F578 HydrophobicContact CG-CE2 4.07Å; Q147-F578 WeakPolarHBondContact O-CD2 3.34Å; Q147-F578 VanDerWaalsContact OE1-N 3.1Å; Q147-L582 HydrophobicContact CB-CD2 4.33Å | ||
| 148 | Y | 98.1 | Very high | 96.6 | Very high | 7 Ų | 7 | 15.5 Ų | 15.5 | 3% | 0.027 | 8% | 0.079 | C | C | . | . | S | Bend | trans | -87.8 | 138.3 | -180 | -64.4 | -72.7 | 0 | 0 | 0 | 110.6 | Q108 L150 F151 M152 P459 P462 F578 | Q108-Y148 HydrophobicContact CB-CE2 3.99Å; Y148-L150 VanDerWaalsContact C-N 3.32Å; Y148-L150 PolarHBondContact O-N 3.44Å; Y148-F151 PolarHBondContact O-N 3.49Å; Y148-M152 PolarHBondContact O-N 3.32Å; Y148-P459 HydrophobicContact CD1-CB 4.26Å; Y148-P459 WeakPolarHBondContact CD1-O 3.4Å; Y148-P459 HydrophobicContact CE1-CB 4.43Å; Y148-P462 HydrophobicContact CD2-CB 4.25Å; Y148-P462 HydrophobicContact CD2-CG 4.42Å; Y148-P462 HydrophobicContact CE1-CB 4.25Å; Y148-P462 HydrophobicContact CE2-CB 3.59Å; Y148-P462 HydrophobicContact CE2-CG 4.2Å; Y148-P462 VanDerWaalsContact CZ-CA 3.5Å; Y148-F578 AromaticContact CD1-CE2 3.99Å; Y148-F578 HydrophobicContact CD1-CE2 3.99Å; Y148-F578 AromaticContact CE1-CE2 3.83Å; Y148-F578 HydrophobicContact CE1-CE2 3.83Å; Y148-F578 HydrophobicContact CE1-CZ 4.18Å |
| 149 | T | 97.1 | Very high | 96.5 | Very high | 1 Ų | 1 | 15.7 Ų | 15.7 | 1% | 0.006 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -56.4 | -41.1 | -165.9 | -59.6 | 0 | 0 | 0 | 0 | 113.4 | F151 M152 L153 L458 P459 W460 F583 | T149-F151 VanDerWaalsContact C-N 3.34Å; T149-F151 PolarHBondContact O-N 3.21Å; T149-M152 PolarHBondContact O-N 3.03Å; T149-M152 VanDerWaalsContact O-N 3.16Å; T149-L153 HydrophobicContact CG2-CD1 4.09Å; T149-L153 HydrophobicContact CG2-CG 4.14Å; T149-L153 WeakPolarHBondContact O-CG 3.4Å; T149-L153 PolarHBondContact O-N 2.81Å; T149-L458 PolarHBondContact OG1-N 3.38Å; T149-L458 PolarHBondContact OG1-O 3.03Å; T149-P459 PolarHBondContact N-O 2.87Å; T149-P459 VanDerWaalsContact N-O 3.1Å; T149-W460 HydrophobicContact CG2-CD2 4.14Å; T149-W460 HydrophobicContact CG2-CG 4.22Å; T149-W460 HydrophobicContact CG2-CZ2 4.22Å; T149-F583 HydrophobicContact CG2-CE1 4.46Å |
| 150 | L | 95.7 | Very high | 96.3 | Very high | 15 Ų | 15 | 20.8 Ų | 20.8 | 8% | 0.079 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -56.1 | -49.2 | -176.8 | -177.1 | 72.7 | 0 | 0 | 0 | 111.9 | Y148 L153 L395 W460 H461 | Y148-L150 VanDerWaalsContact C-N 3.32Å; Y148-L150 PolarHBondContact O-N 3.44Å; L150-L153 PolarHBondContact O-N 2.87Å; L150-L395 HydrophobicContact CD1-CD1 4.49Å; L150-L395 HydrophobicContact CD2-CD1 3.59Å; L150-W460 HydrophobicContact CB-CE3 4.38Å; L150-W460 WeakPolarHBondContact CB-O 3.31Å; L150-W460 HydrophobicContact CD1-CE3 4.04Å; L150-W460 HydrophobicContact CD1-CZ3 4.19Å; L150-W460 PolarHBondContact N-O 3.23Å; L150-H461 WeakPolarHBondContact CD2-NE2 3.38Å |
| 151 | F | 96.1 | Very high | 95.9 | Very high | 12 Ų | 12 | 23.4 Ų | 23.4 | 5% | 0.053 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -73.4 | -30.3 | -179 | -52.2 | -64.3 | 0 | 0 | 0 | 112.3 | F146 Y148 T149 L153 T154 S155 H461 Y520 H522 | F146-F151 HydrophobicContact CB-CB 3.56Å; F146-F151 HydrophobicContact CB-CD2 4.4Å; F146-F151 HydrophobicContact CB-CG 4.36Å; F146-F151 HydrophobicContact CD1-CB 3.64Å; F146-F151 HydrophobicContact CD1-CD1 4.41Å; F146-F151 AromaticContact CD1-CD2 3.39Å; F146-F151 HydrophobicContact CD1-CD2 3.39Å; F146-F151 HydrophobicContact CD1-CE2 4.15Å; F146-F151 AromaticContact CD1-CG 3.55Å; F146-F151 HydrophobicContact CD1-CG 3.55Å; F146-F151 HydrophobicContact CD2-CB 3.87Å; F146-F151 HydrophobicContact CD2-CG 4.49Å; F146-F151 HydrophobicContact CE1-CB 4.26Å; F146-F151 HydrophobicContact CE1-CD1 4.29Å; F146-F151 AromaticContact CE1-CD2 3.84Å; F146-F151 HydrophobicContact CE1-CD2 3.84Å; F146-F151 HydrophobicContact CE1-CE2 4.26Å; F146-F151 AromaticContact CE1-CG 3.86Å; F146-F151 HydrophobicContact CE1-CG 3.86Å; F146-F151 HydrophobicContact CE2-CB 4.46Å; F146-F151 HydrophobicContact CG-CB 3.42Å; F146-F151 VanDerWaalsContact CG-CB 3.42Å; F146-F151 HydrophobicContact CG-CD2 4.08Å; F146-F151 AromaticContact CG-CG 3.9Å; F146-F151 HydrophobicContact CG-CG 3.9Å; F146-F151 HydrophobicContact CZ-CG 4.45Å; Y148-F151 PolarHBondContact O-N 3.49Å; T149-F151 VanDerWaalsContact C-N 3.34Å; T149-F151 PolarHBondContact O-N 3.21Å; F151-L153 VanDerWaalsContact C-N 3.35Å; F151-T154 PolarHBondContact O-OG1 2.89Å; F151-S155 WeakPolarHBondContact O-CB 3.19Å; F151-S155 PolarHBondContact O-N 2.94Å; F151-S155 PolarHBondContact O-OG 3.33Å; F151-H461 AromaticContact CE2-CD2 3.86Å; F151-H461 AromaticContact CZ-CD2 3.85Å; F151-H461 AromaticContact CZ-NE2 3.73Å; F151-Y520 AromaticContact CE1-CD1 3.65Å; F151-Y520 HydrophobicContact CE1-CD1 3.65Å; F151-Y520 AromaticContact CE1-CE1 3.66Å; F151-Y520 HydrophobicContact CE1-CE1 3.66Å; F151-Y520 HydrophobicContact CE2-CD1 4.43Å; F151-Y520 AromaticContact CZ-CD1 3.6Å; F151-Y520 HydrophobicContact CZ-CD1 3.6Å; F151-Y520 AromaticContact CZ-CE1 3.96Å; F151-Y520 HydrophobicContact CZ-CE1 3.96Å; F151-H522 AromaticContact CE1-CE1 3.89Å; F151-H522 AromaticContact CE1-NE2 3.28Å; F151-H522 VanDerWaalsContact CE1-NE2 3.28Å; F151-H522 WeakPolarHBondContact CE1-NE2 3.4Å; F151-H522 AromaticContact CZ-CD2 3.72Å; F151-H522 AromaticContact CZ-NE2 3.31Å; F151-H522 VanDerWaalsContact CZ-NE2 3.31Å; F151-H522 WeakPolarHBondContact CZ-NE2 3.4Å |
| 152 | M | 96.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -66.6 | -37.1 | 173.6 | -70.4 | -166.2 | -62.6 | 0 | 0 | 111.4 | Q147 Y148 T149 S155 K156 G157 L458 L582 F583 | Q147-M152 WeakPolarHBondContact O-CE 3.12Å; Y148-M152 PolarHBondContact O-N 3.32Å; T149-M152 PolarHBondContact O-N 3.03Å; T149-M152 VanDerWaalsContact O-N 3.16Å; M152-S155 CarbonylContact O-C 3.52Å; M152-S155 PolarHBondContact O-N 3.35Å; M152-K156 CarbonylContact O-C 3.58Å; M152-K156 PolarHBondContact O-N 3.25Å; M152-G157 WeakPolarHBondContact O-CA 3.28Å; M152-G157 PolarHBondContact O-N 3.34Å; M152-L458 HydrophobicContact CE-CD1 4.03Å; M152-L582 HydrophobicContact CE-CD2 4.38Å; M152-L582 HydrophobicContact SD-CD2 3.72Å; M152-F583 HydrophobicContact CB-CE1 3.95Å; M152-F583 HydrophobicContact CB-CE2 3.99Å; M152-F583 HydrophobicContact CB-CZ 3.48Å; M152-F583 VanDerWaalsContact CB-CZ 3.48Å; M152-F583 HydrophobicContact CE-CD1 4.16Å; M152-F583 HydrophobicContact CE-CE1 3.76Å; M152-F583 HydrophobicContact CE-CZ 4.44Å; M152-F583 HydrophobicContact SD-CE1 4.44Å |
| 153 | L | 92.9 | Very high | 95.6 | Very high | 78 Ų | 78 | 23 Ų | 23 | 41% | 0.408 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -60.3 | -49.8 | 178.5 | -71.7 | 171.3 | 0 | 0 | 0 | 111.7 | T149 L150 F151 S155 K156 W460 F583 | T149-L153 HydrophobicContact CG2-CD1 4.09Å; T149-L153 HydrophobicContact CG2-CG 4.14Å; T149-L153 WeakPolarHBondContact O-CG 3.4Å; T149-L153 PolarHBondContact O-N 2.81Å; L150-L153 PolarHBondContact O-N 2.87Å; F151-L153 VanDerWaalsContact C-N 3.35Å; L153-S155 VanDerWaalsContact C-N 3.29Å; L153-S155 PolarHBondContact O-N 2.77Å; L153-K156 PolarHBondContact O-N 3.15Å; L153-W460 HydrophobicContact CD1-CH2 3.77Å; L153-W460 HydrophobicContact CD1-CZ2 4.07Å; L153-W460 HydrophobicContact CD1-CZ3 4.14Å; L153-F583 HydrophobicContact CD2-CE2 4.49Å; L153-F583 HydrophobicContact CD2-CZ 3.86Å; L153-F583 HydrophobicContact CG-CZ 4.2Å |
| 154 | T | 89.4 | Confident | 95.5 | Very high | 67 Ų | 67 | 27 Ų | 27 | 41% | 0.411 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -69.1 | -29.4 | 178.6 | 57.6 | 0 | 0 | 0 | 0 | 112.4 | A69 F151 K156 | A69-T154 HydrophobicContact CB-CG2 3.97Å; F151-T154 PolarHBondContact O-OG1 2.89Å; T154-K156 VanDerWaalsContact C-N 3.31Å; T154-K156 PolarHBondContact O-N 3Å |
| 155 | S | 94.8 | Very high | 95.5 | Very high | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.007 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -4.5 | 175.8 | -57.1 | 0 | 0 | 0 | 0 | 114.7 | M66 G144 F151 M152 L153 G157 I159 | M66-S155 WeakPolarHBondContact CE-OG 3.27Å; G144-S155 PolarHBondContact N-OG 3.16Å; F151-S155 WeakPolarHBondContact O-CB 3.19Å; F151-S155 PolarHBondContact O-N 2.94Å; F151-S155 PolarHBondContact O-OG 3.33Å; M152-S155 CarbonylContact O-C 3.52Å; M152-S155 PolarHBondContact O-N 3.35Å; L153-S155 VanDerWaalsContact C-N 3.29Å; L153-S155 PolarHBondContact O-N 2.77Å; S155-G157 PolarHBondContact O-N 2.86Å; S155-I159 WeakPolarHBondContact O-CD1 3.44Å |
| 156 | K | 95.3 | Very high | 95.5 | Very high | 75 Ų | 75 | 27.5 Ų | 27.5 | 33% | 0.326 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.2 | 24.4 | -166.3 | -56.3 | -179.2 | -178.8 | 175.3 | 0 | 114.1 | P64 M152 L153 T154 L585 M586 | P64-K156 HydrophobicContact CG-CB 4.33Å; P64-K156 HydrophobicContact CG-CD 3.82Å; P64-K156 HydrophobicContact CG-CG 3.87Å; M152-K156 CarbonylContact O-C 3.58Å; M152-K156 PolarHBondContact O-N 3.25Å; L153-K156 PolarHBondContact O-N 3.15Å; T154-K156 VanDerWaalsContact C-N 3.31Å; T154-K156 PolarHBondContact O-N 3Å; K156-L585 HydrophobicContact CB-CB 4.3Å; K156-L585 PolarHBondContact O-N 3.43Å; K156-M586 HydrophobicContact CB-CG 4.03Å; K156-M586 HydrophobicContact CD-CG 4.43Å |
| 157 | G | 95.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | B | Isolated β-bridge | trans | 119 | -167.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | G144 M152 S155 F583 | G144-G157 VanDerWaalsContact CA-O 3.25Å; G144-G157 WeakPolarHBondContact CA-O 3.46Å; M152-G157 WeakPolarHBondContact O-CA 3.28Å; M152-G157 PolarHBondContact O-N 3.34Å; S155-G157 PolarHBondContact O-N 2.86Å; G157-F583 CarbonylContact C-O 3.57Å; G157-F583 WeakPolarHBondContact CA-O 3.42Å |
| 158 | Y | 97.1 | Very high | 95.6 | Very high | 32 Ų | 32 | 31 Ų | 31 | 13% | 0.125 | 16% | 0.162 | C | C | . | . | trans | -87 | 115.7 | 167.2 | 175.9 | -101.6 | 0 | 0 | 0 | 109.4 | R109 E113 G144 K160 V163 L582 F583 | R109-Y158 VanDerWaalsContact NE-CZ 3.34Å; E113-Y158 PolarHBondContact OE1-OH 2.78Å; G144-Y158 CarbonylContact O-C 3.53Å; G144-Y158 WeakPolarHBondContact O-CA 3.43Å; Y158-K160 HydrophobicContact CE1-CB 4.22Å; Y158-V163 HydrophobicContact CD2-CG2 3.97Å; Y158-V163 HydrophobicContact CE2-CB 4.09Å; Y158-V163 HydrophobicContact CE2-CG1 3.93Å; Y158-V163 HydrophobicContact CE2-CG2 3.42Å; Y158-V163 VanDerWaalsContact CE2-CG2 3.42Å; Y158-L582 HydrophobicContact CD1-CD1 4.12Å; Y158-L582 HydrophobicContact CG-CD1 4.27Å; Y158-F583 PolarHBondContact N-O 3.22Å | ||
| 159 | I | 95.9 | Very high | 95.6 | Very high | 3 Ų | 3 | 30.7 Ų | 30.7 | 2% | 0.015 | 16% | 0.16 | C | C | . | . | trans | -109.2 | 89.8 | -172.1 | -56.9 | 169.2 | 0 | 0 | 0 | 108.1 | I63 G144 S155 A161 A162 V163 M586 | I63-I159 HydrophobicContact CD1-CG2 4.17Å; I63-I159 HydrophobicContact CG2-CD1 3.91Å; G144-I159 PolarHBondContact O-N 3.4Å; S155-I159 WeakPolarHBondContact O-CD1 3.44Å; I159-A161 PolarHBondContact O-N 2.92Å; I159-A161 VanDerWaalsContact O-N 3.11Å; I159-A162 HydrophobicContact CB-CB 4.29Å; I159-A162 HydrophobicContact CG2-CB 4.09Å; I159-A162 PolarHBondContact O-N 2.79Å; I159-V163 WeakPolarHBondContact O-CG2 3.34Å; I159-V163 PolarHBondContact O-N 2.95Å; I159-V163 VanDerWaalsContact O-N 3.16Å; I159-M586 HydrophobicContact CB-CE 4.31Å; I159-M586 HydrophobicContact CD1-CE 3.59Å; I159-M586 HydrophobicContact CD1-CG 4.06Å; I159-M586 HydrophobicContact CD1-SD 3.55Å; I159-M586 VanDerWaalsContact CD1-SD 3.55Å; I159-M586 HydrophobicContact CG1-CE 3.84Å; I159-M586 HydrophobicContact CG1-CG 4.46Å; I159-M586 HydrophobicContact CG1-SD 4.33Å; I159-M586 HydrophobicContact CG2-CE 3.47Å; I159-M586 VanDerWaalsContact CG2-CE 3.47Å | ||
| 160 | K | 93.8 | Very high | 95.7 | Very high | 121 Ų | 121 | 30.7 Ų | 30.7 | 53% | 0.526 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -48.9 | -42.2 | -177.3 | -174.2 | 172.9 | 171 | 177.9 | 0 | 113.6 | Y158 A162 V163 E164 | Y158-K160 HydrophobicContact CE1-CB 4.22Å; K160-A162 PolarHBondContact O-N 3.4Å; K160-V163 PolarHBondContact O-N 2.88Å; K160-E164 WeakPolarHBondContact CE-OE1 3.45Å; K160-E164 HydrophobicContact CG-CG 4Å; K160-E164 IonicContact NZ-OE1 3.63Å; K160-E164 PolarHBondContact NZ-OE1 3.07Å; K160-E164 PolarHBondContact O-N 3Å |
| 161 | A | 91.9 | Very high | 95.9 | Very high | 55 Ų | 55 | 30.9 Ų | 30.9 | 46% | 0.455 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -63.5 | -22.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | P59 I159 P165 | P59-A161 WeakPolarHBondContact CD-O 2.91Å; P59-A161 HydrophobicContact CG-CB 4.27Å; I159-A161 PolarHBondContact O-N 2.92Å; I159-A161 VanDerWaalsContact O-N 3.11Å; A161-P165 WeakPolarHBondContact O-CD 3.35Å; A161-P165 WeakPolarHBondContact O-CG 3.47Å |
| 162 | A | 92.5 | Very high | 96 | Very high | 5 Ų | 5 | 33.9 Ų | 33.9 | 4% | 0.041 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -89.3 | -27.4 | 172 | 0 | 0 | 0 | 0 | 0 | 112.1 | I63 P142 A143 I159 K160 | I63-A162 HydrophobicContact CD1-CB 4.16Å; P142-A162 HydrophobicContact CB-CB 4.37Å; A143-A162 WeakPolarHBondContact O-CB 3.41Å; I159-A162 HydrophobicContact CB-CB 4.29Å; I159-A162 HydrophobicContact CG2-CB 4.09Å; I159-A162 PolarHBondContact O-N 2.79Å; K160-A162 PolarHBondContact O-N 3.4Å |
| 163 | V | 95.6 | Very high | 96.1 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.006 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -79.2 | -43.6 | -176.3 | 178.3 | 0 | 0 | 0 | 0 | 112.1 | E113 G144 Y158 I159 K160 L166 V167 | E113-V163 VanDerWaalsContact OE2-CG1 3.3Å; E113-V163 WeakPolarHBondContact OE2-CG1 3.18Å; G144-V163 WeakPolarHBondContact O-CG2 3.13Å; Y158-V163 HydrophobicContact CD2-CG2 3.97Å; Y158-V163 HydrophobicContact CE2-CB 4.09Å; Y158-V163 HydrophobicContact CE2-CG1 3.93Å; Y158-V163 HydrophobicContact CE2-CG2 3.42Å; Y158-V163 VanDerWaalsContact CE2-CG2 3.42Å; I159-V163 WeakPolarHBondContact O-CG2 3.34Å; I159-V163 PolarHBondContact O-N 2.95Å; I159-V163 VanDerWaalsContact O-N 3.16Å; K160-V163 PolarHBondContact O-N 2.88Å; V163-L166 WeakPolarHBondContact O-CB 3.36Å; V163-L166 PolarHBondContact O-N 3.34Å; V163-L166 VanDerWaalsContact O-N 3.09Å; V163-V167 HydrophobicContact CG1-CG2 3.93Å; V163-V167 PolarHBondContact O-N 3.4Å |
| 164 | E | 96.6 | Very high | 96.4 | Very high | 85 Ų | 85 | 30.1 Ų | 30.1 | 40% | 0.397 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -59.3 | -48.5 | -176.8 | -72.4 | 176.7 | 141 | 0 | 0 | 112.5 | K160 L166 V167 N168 | K160-E164 WeakPolarHBondContact CE-OE1 3.45Å; K160-E164 HydrophobicContact CG-CG 4Å; K160-E164 IonicContact NZ-OE1 3.63Å; K160-E164 PolarHBondContact NZ-OE1 3.07Å; K160-E164 PolarHBondContact O-N 3Å; E164-L166 PolarHBondContact O-N 2.84Å; E164-V167 PolarHBondContact O-N 3.48Å; E164-N168 WeakPolarHBondContact O-CB 3.05Å; E164-N168 PolarHBondContact O-N 2.91Å; E164-N168 PolarHBondContact O-ND2 2.98Å |
| 165 | P | 97.3 | Very high | 96.9 | Very high | 5 Ų | 5 | 28.9 Ų | 28.9 | 3% | 0.032 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59.9 | -35.4 | 174.4 | -24.3 | 35.5 | 0 | 0 | 0 | 112.8 | T57 A161 G169 R633 | T57-P165 WeakPolarHBondContact O-CB 3.37Å; A161-P165 WeakPolarHBondContact O-CD 3.35Å; A161-P165 WeakPolarHBondContact O-CG 3.47Å; P165-G169 WeakPolarHBondContact O-CA 3.19Å; P165-G169 PolarHBondContact O-N 2.85Å; P165-R633 HydrophobicContact CB-CG 4.24Å; P165-R633 WeakPolarHBondContact O-CD 3.35Å |
| 166 | L | 98.2 | Very high | 97.1 | Very high | 9 Ų | 9 | 31.2 Ų | 31.2 | 5% | 0.047 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -68.3 | -51.1 | 179.9 | -176.7 | 57.5 | 0 | 0 | 0 | 111.9 | C56 V103 L110 Y145 V163 E164 G169 I170 | C56-L166 HydrophobicContact CB-CD1 3.96Å; V103-L166 HydrophobicContact CG2-CD2 4.18Å; L110-L166 HydrophobicContact CD1-CD2 4Å; L110-L166 HydrophobicContact CD1-CG 3.85Å; L110-L166 HydrophobicContact CD2-CD2 3.63Å; L110-L166 HydrophobicContact CD2-CG 4.01Å; L110-L166 HydrophobicContact CG-CD2 4.45Å; Y145-L166 HydrophobicContact CD1-CD2 4.13Å; Y145-L166 HydrophobicContact CD2-CD2 4.29Å; Y145-L166 HydrophobicContact CG-CD2 3.96Å; V163-L166 WeakPolarHBondContact O-CB 3.36Å; V163-L166 PolarHBondContact O-N 3.34Å; V163-L166 VanDerWaalsContact O-N 3.09Å; E164-L166 PolarHBondContact O-N 2.84Å; L166-G169 PolarHBondContact O-N 2.91Å; L166-I170 HydrophobicContact CD1-CD1 4.13Å; L166-I170 HydrophobicContact CG-CD1 4.35Å; L166-I170 WeakPolarHBondContact O-CG1 3.29Å; L166-I170 PolarHBondContact O-N 2.88Å |
| 167 | V | 98.7 | Very high | 97.2 | Very high | 10 Ų | 10 | 27.7 Ų | 27.7 | 6% | 0.061 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.2 | -51.6 | 176.3 | 172 | 0 | 0 | 0 | 0 | 110.2 | L110 E113 V114 V163 E164 G169 I170 V171 | L110-V167 HydrophobicContact CD1-CG2 3.62Å; E113-V167 HydrophobicContact CB-CG1 4.36Å; E113-V167 HydrophobicContact CB-CG2 3.9Å; E113-V167 WeakPolarHBondContact OE2-CG2 3.44Å; V114-V167 HydrophobicContact CG2-CB 4.49Å; V114-V167 HydrophobicContact CG2-CG1 4.16Å; V114-V167 HydrophobicContact CG2-CG2 4.49Å; V163-V167 HydrophobicContact CG1-CG2 3.93Å; V163-V167 PolarHBondContact O-N 3.4Å; E164-V167 PolarHBondContact O-N 3.48Å; V167-G169 VanDerWaalsContact C-N 3.28Å; V167-G169 PolarHBondContact O-N 2.79Å; V167-I170 PolarHBondContact O-N 3.45Å; V167-V171 HydrophobicContact CG1-CG2 4.41Å; V167-V171 WeakPolarHBondContact O-CG2 3.5Å; V167-V171 PolarHBondContact O-N 3.22Å |
| 168 | N | 98.6 | Very high | 97.4 | Very high | 69 Ų | 69 | 30.3 Ų | 30.3 | 37% | 0.369 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -65.5 | -34.1 | -177 | -66.9 | -19.9 | 0 | 0 | 0 | 111.7 | E164 K172 R633 | E164-N168 WeakPolarHBondContact O-CB 3.05Å; E164-N168 PolarHBondContact O-N 2.91Å; E164-N168 PolarHBondContact O-ND2 2.98Å; N168-K172 WeakPolarHBondContact O-CB 3.02Å; N168-K172 PolarHBondContact O-N 2.9Å; N168-R633 VanDerWaalsContact CB-NH2 3.26Å; N168-R633 PolarHBondContact O-NH1 3.01Å; N168-R633 VanDerWaalsContact O-NH1 3.16Å |
| 169 | G | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.7 | -44 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | S54 D55 P165 L166 V167 K172 S173 R633 | S54-G169 VanDerWaalsContact CB-O 3.29Å; S54-G169 WeakPolarHBondContact CB-O 3.48Å; D55-G169 VanDerWaalsContact O-CA 3.23Å; D55-G169 WeakPolarHBondContact O-CA 3.33Å; P165-G169 WeakPolarHBondContact O-CA 3.19Å; P165-G169 PolarHBondContact O-N 2.85Å; L166-G169 PolarHBondContact O-N 2.91Å; V167-G169 VanDerWaalsContact C-N 3.28Å; V167-G169 PolarHBondContact O-N 2.79Å; G169-K172 PolarHBondContact O-N 3.48Å; G169-S173 PolarHBondContact O-N 3.21Å; G169-R633 VanDerWaalsContact N-NH1 3.12Å |
| 170 | I | 98.9 | Very high | 97.5 | Very high | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.01 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.9 | -44.7 | 175.4 | -67 | 166.7 | 0 | 0 | 0 | 111.4 | S84 V99 L110 V114 L133 L166 V167 K172 S173 I174 | S84-I170 WeakPolarHBondContact OG-CA 3.42Å; V99-I170 HydrophobicContact CG1-CG2 4.35Å; L110-I170 HydrophobicContact CD1-CD1 4.11Å; L110-I170 HydrophobicContact CD2-CD1 4.09Å; L110-I170 HydrophobicContact CG-CD1 4.28Å; V114-I170 HydrophobicContact CB-CG2 4.5Å; V114-I170 HydrophobicContact CG1-CG2 3.75Å; V114-I170 HydrophobicContact CG2-CB 4.06Å; V114-I170 HydrophobicContact CG2-CD1 4.26Å; V114-I170 HydrophobicContact CG2-CG2 3.89Å; L133-I170 HydrophobicContact CD2-CG2 3.9Å; L166-I170 HydrophobicContact CD1-CD1 4.13Å; L166-I170 HydrophobicContact CG-CD1 4.35Å; L166-I170 WeakPolarHBondContact O-CG1 3.29Å; L166-I170 PolarHBondContact O-N 2.88Å; V167-I170 PolarHBondContact O-N 3.45Å; I170-K172 VanDerWaalsContact C-N 3.31Å; I170-K172 PolarHBondContact O-N 3.41Å; I170-S173 PolarHBondContact O-N 3.44Å; I170-S173 PolarHBondContact O-OG 3.47Å; I170-I174 HydrophobicContact CG2-CD1 4.17Å; I170-I174 WeakPolarHBondContact O-CG1 3.31Å; I170-I174 PolarHBondContact O-N 3.44Å |
| 171 | V | 98.9 | Very high | 97.6 | Very high | 18 Ų | 18 | 33.2 Ų | 33.2 | 11% | 0.109 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63 | -41.3 | 177.1 | 173.5 | 0 | 0 | 0 | 0 | 110.7 | V114 A117 L118 V167 I174 D175 | V114-V171 HydrophobicContact CG1-CG2 4.29Å; A117-V171 HydrophobicContact CB-CG2 3.75Å; L118-V171 HydrophobicContact CD2-CG1 4.4Å; V167-V171 HydrophobicContact CG1-CG2 4.41Å; V167-V171 WeakPolarHBondContact O-CG2 3.5Å; V167-V171 PolarHBondContact O-N 3.22Å; V171-I174 PolarHBondContact O-N 3.37Å; V171-D175 WeakPolarHBondContact O-CB 3.46Å; V171-D175 PolarHBondContact O-N 2.92Å |
| 172 | K | 98.9 | Very high | 97.8 | Very high | 75 Ų | 75 | 34.4 Ų | 34.4 | 33% | 0.326 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -68.1 | -38.3 | 179.4 | -178.3 | 172.6 | 173.7 | -177.7 | 0 | 112.7 | S54 N168 G169 I170 I174 D175 I176 D634 | S54-K172 WeakPolarHBondContact OG-CD 3.29Å; N168-K172 WeakPolarHBondContact O-CB 3.02Å; N168-K172 PolarHBondContact O-N 2.9Å; G169-K172 PolarHBondContact O-N 3.48Å; I170-K172 VanDerWaalsContact C-N 3.31Å; I170-K172 PolarHBondContact O-N 3.41Å; K172-I174 VanDerWaalsContact C-N 3.33Å; K172-I174 PolarHBondContact O-N 2.89Å; K172-D175 WeakPolarHBondContact O-CB 3.35Å; K172-D175 PolarHBondContact O-N 2.88Å; K172-I176 HydrophobicContact CG-CD1 3.97Å; K172-I176 HydrophobicContact CG-CG1 4.43Å; K172-I176 VanDerWaalsContact O-CG1 3.28Å; K172-I176 WeakPolarHBondContact O-CG1 3.31Å; K172-I176 PolarHBondContact O-N 2.9Å; K172-D634 IonicContact NZ-OD1 3.3Å; K172-D634 IonicContact NZ-OD2 2.69Å; K172-D634 PolarHBondContact NZ-OD2 3.23Å |
| 173 | S | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.7 | -40.7 | 175.5 | 68.2 | 0 | 0 | 0 | 0 | 111.4 | S84 G169 I170 D175 I176 A177 | S84-S173 VanDerWaalsContact O-CB 3.23Å; S84-S173 WeakPolarHBondContact O-CB 3.4Å; S84-S173 PolarHBondContact OG-OG 2.91Å; G169-S173 PolarHBondContact O-N 3.21Å; I170-S173 PolarHBondContact O-N 3.44Å; I170-S173 PolarHBondContact O-OG 3.47Å; S173-D175 VanDerWaalsContact C-N 3.35Å; S173-I176 PolarHBondContact O-N 3.49Å; S173-A177 WeakPolarHBondContact O-CB 3.47Å; S173-A177 PolarHBondContact O-N 3.16Å |
| 174 | I | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.5 | -40 | 173.4 | -63.7 | 170.9 | 0 | 0 | 0 | 110.9 | A86 I88 V97 V99 L118 Y126 I170 V171 K172 A177 H178 | A86-I174 HydrophobicContact CB-CB 4.47Å; A86-I174 HydrophobicContact CB-CG1 3.86Å; I88-I174 HydrophobicContact CD1-CG2 4.2Å; V97-I174 HydrophobicContact CG1-CD1 4.17Å; V97-I174 HydrophobicContact CG1-CG1 3.98Å; V97-I174 HydrophobicContact CG1-CG2 4.42Å; V99-I174 HydrophobicContact CG2-CD1 3.88Å; V99-I174 HydrophobicContact CG2-CG1 3.81Å; L118-I174 HydrophobicContact CD1-CD1 3.76Å; L118-I174 HydrophobicContact CD2-CB 4.33Å; L118-I174 HydrophobicContact CD2-CD1 4.16Å; L118-I174 HydrophobicContact CD2-CG2 3.89Å; Y126-I174 HydrophobicContact CD2-CG2 4.44Å; Y126-I174 HydrophobicContact CE2-CG2 4.2Å; I170-I174 HydrophobicContact CG2-CD1 4.17Å; I170-I174 WeakPolarHBondContact O-CG1 3.31Å; I170-I174 PolarHBondContact O-N 3.44Å; V171-I174 PolarHBondContact O-N 3.37Å; K172-I174 VanDerWaalsContact C-N 3.33Å; K172-I174 PolarHBondContact O-N 2.89Å; I174-A177 PolarHBondContact O-N 3.33Å; I174-H178 VanDerWaalsContact O-CB 3.31Å; I174-H178 WeakPolarHBondContact O-CB 3.11Å; I174-H178 PolarHBondContact O-N 2.95Å |
| 175 | D | 98.9 | Very high | 98 | Very high | 40 Ų | 40 | 34.1 Ų | 34.1 | 21% | 0.214 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.1 | -44.8 | 177.6 | -165.9 | 50.5 | 0 | 0 | 0 | 112.8 | K121 Y122 V171 K172 S173 H178 S179 | K121-D175 WeakPolarHBondContact CE-OD1 2.96Å; K121-D175 IonicContact NZ-OD1 2.85Å; K121-D175 PolarHBondContact NZ-OD1 2.89Å; K121-D175 IonicContact NZ-OD2 3.01Å; K121-D175 PolarHBondContact NZ-OD2 2.82Å; Y122-D175 PolarHBondContact OH-OD1 3.06Å; V171-D175 WeakPolarHBondContact O-CB 3.46Å; V171-D175 PolarHBondContact O-N 2.92Å; K172-D175 WeakPolarHBondContact O-CB 3.35Å; K172-D175 PolarHBondContact O-N 2.88Å; S173-D175 VanDerWaalsContact C-N 3.35Å; D175-H178 PolarHBondContact O-N 3.36Å; D175-S179 WeakPolarHBondContact O-CB 3.33Å; D175-S179 PolarHBondContact O-N 3.07Å; D175-S179 PolarHBondContact O-OG 3.12Å |
| 176 | I | 98.9 | Very high | 98.1 | Very high | 51 Ų | 51 | 33.9 Ų | 33.9 | 26% | 0.262 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -62.6 | -47.1 | 174.8 | -67.6 | 164.3 | 0 | 0 | 0 | 109.6 | R53 K172 S173 H178 S179 N180 | R53-I176 WeakPolarHBondContact O-CD1 3.11Å; K172-I176 HydrophobicContact CG-CD1 3.97Å; K172-I176 HydrophobicContact CG-CG1 4.43Å; K172-I176 VanDerWaalsContact O-CG1 3.28Å; K172-I176 WeakPolarHBondContact O-CG1 3.31Å; K172-I176 PolarHBondContact O-N 2.9Å; S173-I176 PolarHBondContact O-N 3.49Å; I176-H178 VanDerWaalsContact C-N 3.34Å; I176-H178 PolarHBondContact O-N 2.96Å; I176-S179 PolarHBondContact O-N 2.94Å; I176-N180 VanDerWaalsContact O-CB 3.32Å; I176-N180 WeakPolarHBondContact O-CB 3.36Å; I176-N180 PolarHBondContact O-N 3.3Å; I176-N180 PolarHBondContact O-ND2 2.62Å |
| 177 | A | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.3 | -44 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | G50 V51 A86 I88 S173 I174 N180 M181 | G50-A177 WeakPolarHBondContact CA-O 3.45Å; V51-A177 WeakPolarHBondContact O-CA 3.49Å; A86-A177 HydrophobicContact CB-CB 4.15Å; I88-A177 HydrophobicContact CD1-CB 3.87Å; I88-A177 HydrophobicContact CG1-CB 3.78Å; S173-A177 WeakPolarHBondContact O-CB 3.47Å; S173-A177 PolarHBondContact O-N 3.16Å; I174-A177 PolarHBondContact O-N 3.33Å; A177-N180 PolarHBondContact O-N 3.31Å; A177-M181 WeakPolarHBondContact O-CG 3.16Å; A177-M181 PolarHBondContact O-N 3Å |
| 178 | H | 98.8 | Very high | 98 | Very high | 55 Ų | 55 | 36.1 Ų | 36.1 | 26% | 0.255 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -61.2 | -46.3 | 177.9 | 176.2 | 70.7 | 0 | 0 | 0 | 112.1 | I88 R95 Y122 Y126 I174 D175 I176 N180 M181 | I88-H178 HydrophobicContact CD1-CB 3.94Å; R95-H178 PolarHBondContact NH1-CE1 2.81Å; R95-H178 PolarHBondContact NH1-ND1 3.24Å; Y122-H178 AromaticContact CE1-CD2 3.45Å; Y122-H178 VanDerWaalsContact CE1-CD2 3.45Å; Y122-H178 WeakPolarHBondContact CE1-CD2 3.5Å; Y122-H178 AromaticContact CE1-CG 3.98Å; Y122-H178 AromaticContact CE1-NE2 3.55Å; Y122-H178 AromaticContact CZ-CD2 3.83Å; Y122-H178 PolarHBondContact OH-CD2 2.87Å; Y126-H178 AromaticContact CZ-ND1 3.93Å; Y126-H178 WeakPolarHBondContact OH-CB 3.08Å; Y126-H178 PolarHBondContact OH-ND1 3.19Å; I174-H178 VanDerWaalsContact O-CB 3.31Å; I174-H178 WeakPolarHBondContact O-CB 3.11Å; I174-H178 PolarHBondContact O-N 2.95Å; D175-H178 PolarHBondContact O-N 3.36Å; I176-H178 VanDerWaalsContact C-N 3.34Å; I176-H178 PolarHBondContact O-N 2.96Å; H178-N180 VanDerWaalsContact C-N 3.25Å; H178-N180 PolarHBondContact O-N 2.92Å; H178-M181 WeakPolarHBondContact O-CG 3.41Å; H178-M181 PolarHBondContact O-N 3.26Å |
| 179 | S | 98.4 | Very high | 97.9 | Very high | 83 Ų | 83 | 34.9 Ų | 34.9 | 58% | 0.58 | 18% | 0.18 | S | C | * | . | H | α-helix | trans | -71.2 | -23 | -176.8 | -55.4 | 0 | 0 | 0 | 0 | 112.8 | D175 I176 | D175-S179 WeakPolarHBondContact O-CB 3.33Å; D175-S179 PolarHBondContact O-N 3.07Å; D175-S179 PolarHBondContact O-OG 3.12Å; I176-S179 PolarHBondContact O-N 2.94Å |
| 180 | N | 96.1 | Very high | 97.9 | Very high | 94 Ų | 94 | 38.8 Ų | 38.8 | 50% | 0.503 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105 | 18 | -177.9 | -65.5 | -19.8 | 0 | 0 | 0 | 113.3 | I176 A177 H178 K182 | I176-N180 VanDerWaalsContact O-CB 3.32Å; I176-N180 WeakPolarHBondContact O-CB 3.36Å; I176-N180 PolarHBondContact O-N 3.3Å; I176-N180 PolarHBondContact O-ND2 2.62Å; A177-N180 PolarHBondContact O-N 3.31Å; H178-N180 VanDerWaalsContact C-N 3.25Å; H178-N180 PolarHBondContact O-N 2.92Å; N180-K182 PolarHBondContact O-N 3.41Å |
| 181 | M | 97.1 | Very high | 97.9 | Very high | 40 Ų | 40 | 39.5 Ų | 39.5 | 20% | 0.197 | 20% | 0.202 | C | C | . | . | trans | -62.3 | 127.6 | 176.7 | -76.9 | 179.9 | 52.2 | 0 | 0 | 111.5 | L48 I49 I88 D90 A177 H178 | L48-M181 HydrophobicContact CB-CE 3.41Å; L48-M181 VanDerWaalsContact CB-CE 3.41Å; L48-M181 HydrophobicContact CD1-CE 3.98Å; L48-M181 HydrophobicContact CG-CE 4.35Å; I49-M181 CarbonylContact O-C 3.35Å; I49-M181 WeakPolarHBondContact O-CA 3.37Å; I88-M181 HydrophobicContact CG2-CG 4.43Å; I88-M181 HydrophobicContact CG2-SD 3.76Å; D90-M181 HydrophobicContact CB-CE 3.82Å; A177-M181 WeakPolarHBondContact O-CG 3.16Å; A177-M181 PolarHBondContact O-N 3Å; H178-M181 WeakPolarHBondContact O-CG 3.41Å; H178-M181 PolarHBondContact O-N 3.26Å | ||
| 182 | K | 95.7 | Very high | 97.8 | Very high | 80 Ų | 80 | 42.8 Ų | 42.8 | 35% | 0.348 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 153.6 | 176.5 | 50.2 | -180 | 161.2 | 164.1 | 0 | 112.1 | I49 N180 G184 D231 | I49-K182 PolarHBondContact N-O 2.92Å; I49-K182 PolarHBondContact O-N 3.45Å; N180-K182 PolarHBondContact O-N 3.41Å; K182-G184 PolarHBondContact O-N 3.47Å; K182-D231 HydrophobicContact CD-CB 3.88Å; K182-D231 HydrophobicContact CG-CB 4.45Å; K182-D231 IonicContact NZ-OD2 2.92Å; K182-D231 PolarHBondContact NZ-OD2 2.84Å |
| 183 | P | 96.8 | Very high | 97.8 | Very high | 61 Ų | 61 | 39.9 Ų | 39.9 | 40% | 0.396 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.5 | 136.4 | 173.1 | -24.6 | 34.4 | 0 | 0 | 0 | 111.4 | Y47 L48 L232 | Y47-P183 CarbonylContact O-C 3.51Å; Y47-P183 VanDerWaalsContact O-CA 3.3Å; Y47-P183 WeakPolarHBondContact O-CA 3.41Å; L48-P183 HydrophobicContact CD2-CB 4.41Å; L48-P183 HydrophobicContact CD2-CG 3.8Å; P183-L232 HydrophobicContact CB-CD1 3.79Å; P183-L232 HydrophobicContact CB-CD2 4.48Å; P183-L232 HydrophobicContact CB-CG 4Å |
| 184 | G | 96.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -168.5 | 176.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | P46 Y47 K182 T230 | P46-G184 WeakPolarHBondContact CB-O 3.45Å; Y47-G184 PolarHBondContact N-O 3.39Å; Y47-G184 VanDerWaalsContact N-O 3.1Å; Y47-G184 PolarHBondContact O-N 2.89Å; K182-G184 PolarHBondContact O-N 3.47Å; G184-T230 CarbonylContact C-O 3.5Å; G184-T230 WeakPolarHBondContact CA-O 3.47Å |
| 185 | R | 96.8 | Very high | 97.4 | Very high | 24 Ų | 24 | 50.3 Ų | 50.3 | 9% | 0.091 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 152 | 180 | -62.6 | -174.2 | -178.7 | -65.6 | -13.2 | 111 | Q43 G44 Y187 T230 E361 | Q43-R185 VanDerWaalsContact CB-NH2 3.28Å; G44-R185 PolarHBondContact O-NH1 3.38Å; R185-Y187 HydrophobicContact CB-CE2 3.69Å; R185-Y187 WeakPolarHBondContact CD-OH 3.23Å; R185-T230 PolarHBondContact N-O 2.92Å; R185-T230 PolarHBondContact O-N 2.69Å; R185-T230 PolarHBondContact O-OG1 3.28Å; R185-E361 VanDerWaalsContact CD-OE1 3.3Å; R185-E361 WeakPolarHBondContact CD-OE1 3.24Å; R185-E361 IonicContact CZ-OE1 3.64Å; R185-E361 IonicContact NE-OE1 3.68Å; R185-E361 IonicContact NH1-OE1 2.92Å; R185-E361 PolarHBondContact NH1-OE1 2.71Å; R185-E361 IonicContact NH1-OE2 3.37Å |
| 186 | I | 97.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 132.3 | 179.6 | -55.9 | 174.6 | 0 | 0 | 0 | 107.7 | Y47 I49 I89 L227 K228 F229 E361 V362 V472 | Y47-I186 HydrophobicContact CD2-CD1 3.76Å; Y47-I186 HydrophobicContact CD2-CG1 3.99Å; Y47-I186 HydrophobicContact CE2-CD1 3.98Å; Y47-I186 HydrophobicContact CE2-CG1 4.27Å; Y47-I186 HydrophobicContact CG-CD1 4.38Å; I49-I186 HydrophobicContact CD1-CD1 4.24Å; I49-I186 HydrophobicContact CD1-CG1 3.63Å; I49-I186 HydrophobicContact CG1-CG1 4.47Å; I89-I186 HydrophobicContact CG1-CD1 3.93Å; I89-I186 HydrophobicContact CG2-CD1 3.8Å; I186-L227 HydrophobicContact CG2-CB 4.39Å; I186-L227 HydrophobicContact CG2-CD2 4.41Å; I186-K228 CarbonylContact C-O 3.57Å; I186-K228 VanDerWaalsContact CA-O 3.31Å; I186-K228 WeakPolarHBondContact CA-O 3.24Å; I186-F229 HydrophobicContact CD1-CD1 4.03Å; I186-F229 HydrophobicContact CD1-CE1 3.77Å; I186-F229 HydrophobicContact CG1-CD1 3.78Å; I186-F229 HydrophobicContact CG1-CE1 3.97Å; I186-F229 HydrophobicContact CG2-CD1 4.45Å; I186-F229 HydrophobicContact CG2-CE1 4.24Å; I186-E361 CarbonylContact O-C 3.48Å; I186-E361 WeakPolarHBondContact O-CA 3.47Å; I186-V362 HydrophobicContact CB-CB 4.12Å; I186-V362 HydrophobicContact CG2-CB 4Å; I186-V362 HydrophobicContact CG2-CG2 4.07Å; I186-V362 PolarHBondContact O-N 2.78Å; I186-V472 HydrophobicContact CD1-CG1 3.59Å |
| 187 | Y | 97.3 | Very high | 97.3 | Very high | 48 Ų | 48 | 46.3 Ų | 46.3 | 19% | 0.188 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 144.6 | 176.4 | -59.7 | -90 | 0 | 0 | 0 | 109.7 | R185 L227 K228 T230 E360 E361 | R185-Y187 HydrophobicContact CB-CE2 3.69Å; R185-Y187 WeakPolarHBondContact CD-OH 3.23Å; Y187-L227 CarbonylContact O-C 3.53Å; Y187-L227 WeakPolarHBondContact O-CA 3.38Å; Y187-K228 HydrophobicContact CD2-CG 4.45Å; Y187-K228 PolarHBondContact N-O 3.33Å; Y187-K228 PolarHBondContact O-N 2.97Å; Y187-T230 HydrophobicContact CD2-CG2 4.31Å; Y187-T230 HydrophobicContact CE2-CG2 4.23Å; Y187-T230 WeakPolarHBondContact CE2-OG1 3.5Å; Y187-E360 CarbonylContact C-O 3.51Å; Y187-E360 VanDerWaalsContact CA-O 3.29Å; Y187-E360 WeakPolarHBondContact CA-O 3.45Å; Y187-E361 HydrophobicContact CD1-CB 3.96Å; Y187-E361 HydrophobicContact CD1-CG 4.37Å; Y187-E361 HydrophobicContact CE1-CB 3.79Å; Y187-E361 HydrophobicContact CE1-CG 4.02Å |
| 188 | R | 97.6 | Very high | 97.3 | Very high | 19 Ų | 19 | 49.2 Ų | 49.2 | 7% | 0.072 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 151.4 | 175 | 69.4 | 179.8 | -174.6 | -167.9 | 1.6 | 111.7 | V226 L227 E360 V362 S474 N508 E510 | R188-V226 VanDerWaalsContact CA-O 3.3Å; R188-V226 WeakPolarHBondContact CA-O 3.32Å; R188-L227 HydrophobicContact CB-CD2 3.66Å; R188-E360 HydrophobicContact CG-CB 4.14Å; R188-E360 HydrophobicContact CG-CG 4.26Å; R188-E360 WeakPolarHBondContact CG-OE2 3.48Å; R188-E360 IonicContact CZ-OE1 3.67Å; R188-E360 VanDerWaalsContact CZ-OE1 3.3Å; R188-E360 IonicContact CZ-OE2 3.36Å; R188-E360 PolarHBondContact N-O 3.09Å; R188-E360 IonicContact NE-OE1 2.65Å; R188-E360 PolarHBondContact NE-OE1 3.25Å; R188-E360 IonicContact NE-OE2 3.36Å; R188-E360 PolarHBondContact NE-OE2 2.93Å; R188-E360 IonicContact NH2-OE1 3.44Å; R188-E360 PolarHBondContact NH2-OE1 2.85Å; R188-E360 IonicContact NH2-OE2 2.85Å; R188-V362 HydrophobicContact CB-CG2 3.75Å; R188-V362 HydrophobicContact CG-CG2 3.9Å; R188-S474 PolarHBondContact NH1-O 3.16Å; R188-S474 PolarHBondContact NH1-OG 3.2Å; R188-N508 PolarHBondContact NH1-O 2.98Å; R188-N508 VanDerWaalsContact NH1-O 3.07Å; R188-N508 PolarHBondContact NH2-O 3.14Å; R188-N508 VanDerWaalsContact NH2-O 3.07Å; R188-E510 VanDerWaalsContact NH1-CB 3.29Å |
| 189 | N | 98.1 | Very high | 97.3 | Very high | 42 Ų | 42 | 46.9 Ų | 46.9 | 23% | 0.225 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 157.6 | 168.6 | -155.4 | -5.5 | 0 | 0 | 0 | 110.6 | V226 L354 N357 A358 | N189-V226 PolarHBondContact N-O 3.47Å; N189-V226 PolarHBondContact O-N 2.9Å; N189-L354 HydrophobicContact CB-CB 4.18Å; N189-L354 HydrophobicContact CB-CD2 4.33Å; N189-L354 WeakPolarHBondContact CB-O 3.4Å; N189-L354 PolarHBondContact ND2-O 3.38Å; N189-N357 PolarHBondContact ND2-O 3.44Å; N189-A358 HydrophobicContact CB-CB 3.88Å |
| 190 | R | 98.1 | Very high | 97.3 | Very high | 82 Ų | 82 | 43.2 Ų | 43.2 | 31% | 0.309 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 141.5 | -179.2 | 179.1 | -175.5 | -74.5 | -94.8 | -13.3 | 110.1 | D223 V224 L225 L354 E510 | R190-D223 IonicContact CZ-OD2 2.68Å; R190-D223 VanDerWaalsContact NH1-CB 3.26Å; R190-D223 IonicContact NH1-OD1 2.84Å; R190-D223 IonicContact NH1-OD2 3.61Å; R190-D223 PolarHBondContact NH1-OD2 2.79Å; R190-V224 WeakPolarHBondContact CA-O 3.26Å; R190-L225 HydrophobicContact CB-CD1 4.3Å; R190-L354 VanDerWaalsContact C-CD2 3.43Å; R190-L354 WeakPolarHBondContact O-CD2 3.2Å; R190-E510 IonicContact CZ-OE1 3.96Å; R190-E510 IonicContact NE-OE1 2.9Å; R190-E510 VanDerWaalsContact NH2-CD 3.33Å; R190-E510 IonicContact NH2-OE1 3.22Å; R190-E510 PolarHBondContact NH2-OE1 2.78Å |
| 191 | G | 98.2 | Very high | 97.4 | Very high | 17 Ų | 17 | 38.8 Ų | 38.8 | 18% | 0.175 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 165.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | D223 V224 | G191-D223 WeakPolarHBondContact O-CA 3.2Å; G191-V224 PolarHBondContact N-O 3.03Å; G191-V224 PolarHBondContact O-N 2.97Å |
| 192 | E | 98.2 | Very high | 97.4 | Very high | 87 Ų | 87 | 38.4 Ų | 38.4 | 41% | 0.407 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 140.1 | 177.3 | -66.5 | 178.1 | 167.8 | 0 | 0 | 110.1 | K217 K222 K350 | E192-K217 VanDerWaalsContact CD-NZ 3.35Å; E192-K217 IonicContact OE1-NZ 2.92Å; E192-K217 PolarHBondContact OE1-NZ 2.8Å; E192-K217 IonicContact OE2-NZ 3.55Å; E192-K217 PolarHBondContact OE2-NZ 2.96Å; E192-K222 CarbonylContact C-O 3.48Å; E192-K222 WeakPolarHBondContact CA-O 3.35Å; E192-K222 HydrophobicContact CB-CB 4.27Å; E192-K222 HydrophobicContact CG-CB 4.44Å; E192-K350 WeakPolarHBondContact O-CE 3.39Å |
| 193 | L | 98.3 | Very high | 97.5 | Very high | 14 Ų | 14 | 37.5 Ų | 37.5 | 7% | 0.073 | 19% | 0.192 | C | C | . | . | trans | -121.6 | 110.6 | 172.4 | 175.5 | 58.5 | 0 | 0 | 0 | 110.4 | K222 V224 F243 N346 I347 K350 | L193-K222 PolarHBondContact N-O 2.81Å; L193-K222 WeakPolarHBondContact O-CD 3.24Å; L193-V224 HydrophobicContact CB-CG2 3.66Å; L193-V224 HydrophobicContact CD2-CG2 4.16Å; L193-F243 HydrophobicContact CB-CE2 4.11Å; L193-F243 HydrophobicContact CB-CZ 4.27Å; L193-F243 HydrophobicContact CD2-CD1 4.33Å; L193-F243 HydrophobicContact CD2-CE1 3.9Å; L193-F243 HydrophobicContact CD2-CE2 4.29Å; L193-F243 HydrophobicContact CD2-CZ 3.88Å; L193-F243 HydrophobicContact CG-CZ 4.18Å; L193-N346 HydrophobicContact CD1-CB 4.29Å; L193-I347 HydrophobicContact CD2-CB 4.29Å; L193-I347 HydrophobicContact CD2-CG1 3.72Å; L193-K350 HydrophobicContact CB-CB 4.46Å; L193-K350 HydrophobicContact CB-CG 4.19Å; L193-K350 HydrophobicContact CD1-CB 4.2Å; L193-K350 HydrophobicContact CD2-CB 4.43Å | ||
| 194 | D | 96.4 | Very high | 97.5 | Very high | 88 Ų | 88 | 34.9 Ų | 34.9 | 47% | 0.471 | 18% | 0.175 | S | C | . | . | trans | -89.1 | 175 | 174.1 | -66.1 | -56.1 | 0 | 0 | 0 | 112.5 | S196 | D194-S196 PolarHBondContact O-N 2.97Å; D194-S196 PolarHBondContact O-OG 2.87Å; D194-S196 VanDerWaalsContact O-OG 3.14Å | ||
| 195 | D | 94 | Very high | 97.7 | Very high | 132 Ų | 132 | 35.3 Ų | 35.3 | 71% | 0.706 | 18% | 0.177 | S | C | * | . | S | Bend | trans | 54.6 | 14.3 | 172.3 | -55.6 | -36.1 | 0 | 0 | 0 | 117.1 | ||
| 196 | S | 97.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -122.9 | 5.6 | 179.8 | -51.3 | 0 | 0 | 0 | 0 | 112.9 | D194 N346 | D194-S196 PolarHBondContact O-N 2.97Å; D194-S196 PolarHBondContact O-OG 2.87Å; D194-S196 VanDerWaalsContact O-OG 3.14Å; S196-N346 WeakPolarHBondContact OG-CB 3.44Å; S196-N346 PolarHBondContact OG-ND2 3.36Å |
| 197 | S | 97.4 | Very high | 97.8 | Very high | 7 Ų | 7 | 42 Ų | 42 | 5% | 0.049 | 21% | 0.213 | C | C | . | . | trans | -156.7 | 144.4 | 178.8 | 60.8 | 0 | 0 | 0 | 0 | 112.8 | K222 T297 | S197-K222 PolarHBondContact O-NZ 2.87Å; S197-K222 PolarHBondContact OG-NZ 3.22Å; S197-T297 CarbonylContact C-O 3.09Å; S197-T297 WeakPolarHBondContact CA-O 3.3Å | ||
| 198 | L | 98.1 | Very high | 97.8 | Very high | 60 Ų | 60 | 39.9 Ų | 39.9 | 31% | 0.314 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 147.4 | 174.5 | -174.3 | 95.3 | 0 | 0 | 0 | 109.3 | V296 T297 | L198-V296 CarbonylContact O-C 3.45Å; L198-V296 WeakPolarHBondContact O-CA 3.48Å; L198-T297 HydrophobicContact CB-CG2 3.91Å; L198-T297 HydrophobicContact CD2-CG2 4.15Å; L198-T297 PolarHBondContact N-O 3.06Å; L198-T297 WeakPolarHBondContact O-CG2 3.36Å; L198-T297 PolarHBondContact O-N 3.42Å |
| 199 | N | 98.6 | Very high | 97.9 | Very high | 6 Ų | 6 | 41.7 Ų | 41.7 | 3% | 0.032 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 126 | 171.3 | -167.2 | -56.4 | 0 | 0 | 0 | 109.9 | S201 P202 N219 T220 D295 | N199-S201 WeakPolarHBondContact OD1-CA 3.39Å; N199-S201 PolarHBondContact OD1-N 2.84Å; N199-S201 PolarHBondContact OD1-O 3.1Å; N199-P202 VanDerWaalsContact OD1-N 3.11Å; N199-N219 HydrophobicContact CB-CB 4.36Å; N199-N219 PolarHBondContact ND2-O 3.24Å; N199-T220 HydrophobicContact CB-CG2 3.84Å; N199-T220 VanDerWaalsContact N-CG2 3.35Å; N199-D295 CarbonylContact C-O 3.58Å; N199-D295 VanDerWaalsContact CA-O 3.25Å; N199-D295 WeakPolarHBondContact CA-O 3.35Å; N199-D295 PolarHBondContact ND2-OD2 2.58Å; N199-D295 PolarHBondContact OD1-O 3.01Å |
| 200 | R | 98.3 | Very high | 97.9 | Very high | 7 Ų | 7 | 46.2 Ų | 46.2 | 3% | 0.026 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -91.2 | -7.3 | -179.1 | 73.6 | -176.1 | -174.8 | -170.6 | -6.2 | 114.8 | P202 H246 G294 D295 T297 I404 D405 Y523 R534 E536 | R200-P202 VanDerWaalsContact C-CD 3.41Å; R200-H246 VanDerWaalsContact CZ-CE1 3.46Å; R200-H246 PolarHBondContact NH1-CE1 3.42Å; R200-H246 PolarHBondContact NH2-CE1 2.81Å; R200-H246 PolarHBondContact NH2-NE2 2.97Å; R200-G294 PolarHBondContact NE-O 2.96Å; R200-G294 PolarHBondContact NH2-O 3.39Å; R200-D295 PolarHBondContact N-O 2.85Å; R200-T297 HydrophobicContact CB-CG2 3.93Å; R200-I404 HydrophobicContact CB-CD1 3.57Å; R200-I404 HydrophobicContact CB-CG1 3.89Å; R200-D405 WeakPolarHBondContact CD-OD2 3.42Å; R200-D405 IonicContact CZ-OD2 3.82Å; R200-D405 IonicContact NE-OD2 3Å; R200-D405 IonicContact NH1-OD2 2.71Å; R200-D405 PolarHBondContact NH1-OD2 2.94Å; R200-Y523 VanDerWaalsContact NH2-CZ 3.34Å; R200-Y523 PolarHBondContact NH2-OH 3.11Å; R200-R534 PolarHBondContact O-NH2 3.27Å; R200-E536 IonicContact CZ-OE1 3.6Å; R200-E536 IonicContact NE-OE1 2.72Å; R200-E536 PolarHBondContact NE-OE1 2.94Å; R200-E536 IonicContact NH2-OE1 3.94Å |
| 201 | S | 98.4 | Very high | 97.9 | Very high | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.007 | 25% | 0.251 | C | S | . | . | trans | -132.3 | 53.4 | 174.9 | -75.4 | 0 | 0 | 0 | 0 | 111.3 | N199 H203 S204 Y205 R534 E536 | N199-S201 WeakPolarHBondContact OD1-CA 3.39Å; N199-S201 PolarHBondContact OD1-N 2.84Å; N199-S201 PolarHBondContact OD1-O 3.1Å; S201-H203 PolarHBondContact O-N 3.41Å; S201-S204 WeakPolarHBondContact O-CB 3.08Å; S201-S204 PolarHBondContact O-N 3.37Å; S201-Y205 PolarHBondContact O-N 3.44Å; S201-R534 PolarHBondContact OG-NE 2.79Å; S201-E536 WeakPolarHBondContact CB-OE2 3.23Å; S201-E536 VanDerWaalsContact OG-CD 3.31Å; S201-E536 PolarHBondContact OG-OE1 3.46Å; S201-E536 PolarHBondContact OG-OE2 3.2Å | ||
| 202 | P | 97.8 | Very high | 97.9 | Very high | 32 Ų | 32 | 48.4 Ų | 48.4 | 21% | 0.208 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.5 | -31.5 | -170.8 | 26 | -35.6 | 0 | 0 | 0 | 112.5 | N199 R200 S204 Y205 M206 Y314 | N199-P202 VanDerWaalsContact OD1-N 3.11Å; R200-P202 VanDerWaalsContact C-CD 3.41Å; P202-S204 PolarHBondContact O-N 3.11Å; P202-Y205 PolarHBondContact O-N 2.85Å; P202-M206 VanDerWaalsContact O-CG 3.22Å; P202-M206 WeakPolarHBondContact O-CG 3.44Å; P202-M206 PolarHBondContact O-N 2.79Å; P202-Y314 HydrophobicContact CB-CE2 4.35Å; P202-Y314 HydrophobicContact CG-CE2 3.71Å |
| 203 | H | 96.6 | Very high | 98 | Very high | 60 Ų | 60 | 46.7 Ų | 46.7 | 28% | 0.278 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.2 | -43.3 | 174.6 | -176.6 | -105.5 | 0 | 0 | 0 | 112.3 | S201 M206 N207 Y314 L315 V532 | S201-H203 PolarHBondContact O-N 3.41Å; H203-M206 PolarHBondContact O-N 2.97Å; H203-N207 PolarHBondContact O-N 3.46Å; H203-Y314 HydrophobicContact CB-CD1 4.33Å; H203-Y314 HydrophobicContact CB-CE1 3.7Å; H203-Y314 AromaticContact CD2-CE1 3.65Å; H203-Y314 PolarHBondContact N-OH 3.13Å; H203-L315 HydrophobicContact CB-CD2 4.22Å; H203-L315 WeakPolarHBondContact CD2-CD2 3.41Å; H203-L315 WeakPolarHBondContact CE1-CD2 3.31Å; H203-L315 WeakPolarHBondContact ND1-CD2 3.45Å; H203-L315 VanDerWaalsContact NE2-CD2 3.33Å; H203-L315 WeakPolarHBondContact NE2-CD2 3.39Å; H203-V532 WeakPolarHBondContact ND1-CG1 3.33Å |
| 204 | S | 98.6 | Very high | 98 | Very high | 7 Ų | 7 | 52.6 Ų | 52.6 | 5% | 0.049 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.8 | -44.8 | 175.9 | -63.9 | 0 | 0 | 0 | 0 | 111.4 | S201 P202 M206 N207 E529 R534 | S201-S204 WeakPolarHBondContact O-CB 3.08Å; S201-S204 PolarHBondContact O-N 3.37Å; P202-S204 PolarHBondContact O-N 3.11Å; S204-M206 PolarHBondContact O-N 3.46Å; S204-N207 VanDerWaalsContact O-CB 3.3Å; S204-N207 WeakPolarHBondContact O-CB 3.42Å; S204-N207 PolarHBondContact O-N 2.8Å; S204-E529 WeakPolarHBondContact O-CG 3.45Å; S204-R534 WeakPolarHBondContact OG-CD 3.46Å |
| 205 | Y | 98.8 | Very high | 98 | Very high | 9 Ų | 9 | 55.2 Ų | 55.2 | 4% | 0.035 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -56.1 | -41.5 | 175.4 | 176.2 | -89.8 | 0 | 0 | 0 | 111.7 | S201 P202 N207 N208 R213 S218 N219 T486 M487 R490 | S201-Y205 PolarHBondContact O-N 3.44Å; P202-Y205 PolarHBondContact O-N 2.85Å; Y205-N207 PolarHBondContact O-N 3.35Å; Y205-N208 WeakPolarHBondContact O-CB 3.29Å; Y205-N208 PolarHBondContact O-N 3.48Å; Y205-N208 VanDerWaalsContact O-N 3.12Å; Y205-N208 PolarHBondContact O-ND2 3.06Å; Y205-R213 HydrophobicContact CE1-CG 3.99Å; Y205-R213 WeakPolarHBondContact O-CD 3.23Å; Y205-S218 PolarHBondContact OH-O 3.35Å; Y205-N219 HydrophobicContact CD1-CB 3.4Å; Y205-N219 HydrophobicContact CD2-CB 4.03Å; Y205-N219 HydrophobicContact CE1-CB 3.46Å; Y205-N219 VanDerWaalsContact CE1-CB 3.46Å; Y205-N219 HydrophobicContact CE2-CB 4.08Å; Y205-N219 HydrophobicContact CG-CB 3.71Å; Y205-T486 HydrophobicContact CE2-CG2 4.27Å; Y205-M487 HydrophobicContact CE2-CB 4.46Å; Y205-M487 HydrophobicContact CE2-CE 3.7Å; Y205-R490 PolarHBondContact OH-NH1 3Å |
| 206 | M | 98.4 | Very high | 98.2 | Very high | 89 Ų | 89 | 51.3 Ų | 51.3 | 44% | 0.438 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -65.6 | -18.3 | -179.5 | -69.5 | -63.3 | -72.5 | 0 | 0 | 113.8 | P202 H203 S204 N208 R213 | P202-M206 VanDerWaalsContact O-CG 3.22Å; P202-M206 WeakPolarHBondContact O-CG 3.44Å; P202-M206 PolarHBondContact O-N 2.79Å; H203-M206 PolarHBondContact O-N 2.97Å; S204-M206 PolarHBondContact O-N 3.46Å; M206-N208 VanDerWaalsContact C-N 3.29Å; M206-R213 PolarHBondContact O-NE 3.09Å; M206-R213 PolarHBondContact O-NH2 2.81Å; M206-R213 VanDerWaalsContact O-NH2 3.08Å; M206-R213 PolarHBondContact SD-NH1 2.8Å |
| 207 | N | 98.3 | Very high | 98.2 | Very high | 76 Ų | 76 | 59.7 Ų | 59.7 | 41% | 0.406 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -17.9 | 175.5 | -153.9 | 42.2 | 0 | 0 | 0 | 113.1 | H203 S204 Y205 E528 V532 | H203-N207 PolarHBondContact O-N 3.46Å; S204-N207 VanDerWaalsContact O-CB 3.3Å; S204-N207 WeakPolarHBondContact O-CB 3.42Å; S204-N207 PolarHBondContact O-N 2.8Å; Y205-N207 PolarHBondContact O-N 3.35Å; N207-E528 PolarHBondContact ND2-O 2.9Å; N207-E528 WeakPolarHBondContact O-CB 3.4Å; N207-V532 HydrophobicContact CB-CG2 3.91Å |
| 208 | N | 98.9 | Very high | 98.2 | Very high | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.011 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -61.4 | 151.1 | 170.7 | -65.7 | -63.3 | 0 | 0 | 0 | 111.2 | Y205 M206 K210 R213 M487 T526 E529 | Y205-N208 WeakPolarHBondContact O-CB 3.29Å; Y205-N208 PolarHBondContact O-N 3.48Å; Y205-N208 VanDerWaalsContact O-N 3.12Å; Y205-N208 PolarHBondContact O-ND2 3.06Å; M206-N208 VanDerWaalsContact C-N 3.29Å; N208-K210 PolarHBondContact O-N 3Å; N208-R213 HydrophobicContact CB-CG 4Å; N208-R213 PolarHBondContact O-NE 2.95Å; N208-M487 HydrophobicContact CB-CG 4.38Å; N208-T526 WeakPolarHBondContact OD1-CB 3.23Å; N208-T526 WeakPolarHBondContact OD1-CG2 3.41Å; N208-T526 PolarHBondContact OD1-OG1 2.88Å; N208-E529 PolarHBondContact ND2-OE1 3.11Å |
| 209 | P | 98.8 | Very high | 98.2 | Very high | 57 Ų | 57 | 60.6 Ų | 60.6 | 37% | 0.37 | 29% | 0.287 | S | S | . | . | trans | -51.3 | 132.5 | -177.3 | -28.3 | 35.8 | 0 | 0 | 0 | 112.8 | D211 E212 R213 E528 | P209-D211 VanDerWaalsContact C-N 3.26Å; P209-D211 PolarHBondContact O-N 2.91Å; P209-E212 HydrophobicContact CB-CB 4.25Å; P209-E212 WeakPolarHBondContact O-CB 3.43Å; P209-E212 PolarHBondContact O-N 3.07Å; P209-E212 VanDerWaalsContact O-N 3.07Å; P209-R213 PolarHBondContact O-N 2.88Å; P209-E528 WeakPolarHBondContact CD-OE1 3.48Å | ||
| 210 | K | 98.4 | Very high | 98.2 | Very high | 137 Ų | 137 | 60.4 Ų | 60.4 | 60% | 0.596 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -56 | -40.6 | -175.2 | -174 | 178.6 | -177.2 | 176.8 | 0 | 112.5 | N208 R213 K214 | N208-K210 PolarHBondContact O-N 3Å; K210-R213 PolarHBondContact O-N 2.99Å; K210-K214 WeakPolarHBondContact O-CG 3.22Å; K210-K214 PolarHBondContact O-N 2.81Å; K210-K214 VanDerWaalsContact O-N 3.09Å |
| 211 | D | 98.4 | Very high | 98.2 | Very high | 117 Ų | 117 | 60.6 Ų | 60.6 | 63% | 0.626 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -72.8 | -29.7 | -178.3 | -64 | -30.7 | 0 | 0 | 0 | 112.6 | P209 K214 | P209-D211 VanDerWaalsContact C-N 3.26Å; P209-D211 PolarHBondContact O-N 2.91Å; D211-K214 IonicContact OD1-NZ 2.99Å; D211-K214 PolarHBondContact OD1-NZ 2.76Å |
| 212 | E | 98.7 | Very high | 98.2 | Very high | 28 Ų | 28 | 61.8 Ų | 61.8 | 13% | 0.131 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -68.2 | -46.5 | 170 | -177 | -179 | -139.5 | 0 | 0 | 110.7 | P209 K214 R215 Y216 M487 R491 | P209-E212 HydrophobicContact CB-CB 4.25Å; P209-E212 WeakPolarHBondContact O-CB 3.43Å; P209-E212 PolarHBondContact O-N 3.07Å; P209-E212 VanDerWaalsContact O-N 3.07Å; E212-K214 VanDerWaalsContact C-N 3.3Å; E212-K214 PolarHBondContact O-N 2.91Å; E212-R215 VanDerWaalsContact O-CB 3.25Å; E212-R215 WeakPolarHBondContact O-CB 3.34Å; E212-R215 WeakPolarHBondContact O-CG 3.47Å; E212-R215 PolarHBondContact O-N 2.6Å; E212-Y216 HydrophobicContact CG-CE2 4.21Å; E212-Y216 WeakPolarHBondContact O-CD2 3.28Å; E212-Y216 WeakPolarHBondContact O-CE2 3.21Å; E212-M487 VanDerWaalsContact CD-SD 3.58Å; E212-M487 HydrophobicContact CG-CE 4.16Å; E212-M487 HydrophobicContact CG-SD 3.92Å; E212-R491 WeakPolarHBondContact OE1-CG 3.49Å; E212-R491 IonicContact OE1-CZ 3.2Å; E212-R491 IonicContact OE1-NE 3.57Å; E212-R491 PolarHBondContact OE1-NE 2.91Å; E212-R491 IonicContact OE1-NH2 3.96Å; E212-R491 IonicContact OE2-CZ 3.98Å; E212-R491 IonicContact OE2-NE 2.86Å; E212-R491 PolarHBondContact OE2-NE 2.9Å; E212-R491 IonicContact OE2-NH2 3.65Å; E212-R491 PolarHBondContact OE2-NH2 2.87Å |
| 213 | R | 98.4 | Very high | 98.2 | Very high | 51 Ų | 51 | 62.9 Ų | 62.9 | 19% | 0.192 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.3 | -37.4 | -179.7 | -68.7 | -170.9 | -68.8 | 119.3 | -15.1 | 113.1 | Y205 M206 N208 P209 K210 R215 Y216 M487 | Y205-R213 HydrophobicContact CE1-CG 3.99Å; Y205-R213 WeakPolarHBondContact O-CD 3.23Å; M206-R213 PolarHBondContact O-NE 3.09Å; M206-R213 PolarHBondContact O-NH2 2.81Å; M206-R213 VanDerWaalsContact O-NH2 3.08Å; M206-R213 PolarHBondContact SD-NH1 2.8Å; N208-R213 HydrophobicContact CB-CG 4Å; N208-R213 PolarHBondContact O-NE 2.95Å; P209-R213 PolarHBondContact O-N 2.88Å; K210-R213 PolarHBondContact O-N 2.99Å; R213-R215 PolarHBondContact O-N 2.58Å; R213-R215 VanDerWaalsContact O-N 3.15Å; R213-Y216 PolarHBondContact O-N 2.98Å; R213-Y216 VanDerWaalsContact O-N 3.12Å; R213-M487 HydrophobicContact CG-CE 4.15Å |
| 214 | K | 98.3 | Very high | 98.3 | Very high | 139 Ų | 139 | 60 Ų | 60 | 60% | 0.604 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -15.9 | 176.9 | -76.9 | 173 | -177.6 | 166.3 | 0 | 114.1 | K210 D211 E212 Y216 | K210-K214 WeakPolarHBondContact O-CG 3.22Å; K210-K214 PolarHBondContact O-N 2.81Å; K210-K214 VanDerWaalsContact O-N 3.09Å; D211-K214 IonicContact OD1-NZ 2.99Å; D211-K214 PolarHBondContact OD1-NZ 2.76Å; E212-K214 VanDerWaalsContact C-N 3.3Å; E212-K214 PolarHBondContact O-N 2.91Å; K214-Y216 PolarHBondContact O-N 2.87Å |
| 215 | R | 98.4 | Very high | 98.3 | Very high | 142 Ų | 142 | 59.9 Ų | 59.9 | 54% | 0.536 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -13.9 | 176.1 | -58.4 | 166.1 | 63.4 | -157.6 | -5.2 | 112.6 | E212 R213 E494 | E212-R215 VanDerWaalsContact O-CB 3.25Å; E212-R215 WeakPolarHBondContact O-CB 3.34Å; E212-R215 WeakPolarHBondContact O-CG 3.47Å; E212-R215 PolarHBondContact O-N 2.6Å; R213-R215 PolarHBondContact O-N 2.58Å; R213-R215 VanDerWaalsContact O-N 3.15Å; R215-E494 IonicContact CZ-OE1 3.35Å; R215-E494 IonicContact CZ-OE2 3.89Å; R215-E494 IonicContact NH1-OE1 3.55Å; R215-E494 IonicContact NH1-OE2 2.73Å; R215-E494 PolarHBondContact NH1-OE2 2.82Å; R215-E494 IonicContact NH2-OE1 3.56Å; R215-E494 PolarHBondContact NH2-OE1 2.93Å; R215-E494 IonicContact NH2-OE2 3.91Å; R215-E494 PolarHBondContact NH2-OE2 3.4Å |
| 216 | Y | 98 | Very high | 98.3 | Very high | 50 Ų | 50 | 59.5 Ų | 59.5 | 20% | 0.196 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -122.5 | 144.6 | -174.4 | -51.8 | -81.1 | 0 | 0 | 0 | 110.9 | E212 R213 K214 M487 R490 E494 | E212-Y216 HydrophobicContact CG-CE2 4.21Å; E212-Y216 WeakPolarHBondContact O-CD2 3.28Å; E212-Y216 WeakPolarHBondContact O-CE2 3.21Å; R213-Y216 PolarHBondContact O-N 2.98Å; R213-Y216 VanDerWaalsContact O-N 3.12Å; K214-Y216 PolarHBondContact O-N 2.87Å; Y216-M487 HydrophobicContact CD2-CE 3.93Å; Y216-M487 HydrophobicContact CD2-SD 4.45Å; Y216-M487 HydrophobicContact CE2-CE 3.85Å; Y216-M487 HydrophobicContact CE2-SD 3.81Å; Y216-R490 VanDerWaalsContact CB-NH1 3.31Å; Y216-R490 HydrophobicContact CD1-CG 4.47Å; Y216-R490 HydrophobicContact CE1-CB 4.28Å; Y216-R490 HydrophobicContact CE1-CG 3.89Å; Y216-R490 VanDerWaalsContact CG-NH1 3.28Å; Y216-E494 PolarHBondContact OH-OE1 3.4Å |
| 217 | K | 96.7 | Very high | 98.3 | Very high | 177 Ų | 177 | 55.5 Ų | 55.5 | 77% | 0.77 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -73.9 | -26.7 | 179.8 | -59.4 | 175.1 | -172.5 | 161.7 | 0 | 113.4 | E192 | E192-K217 VanDerWaalsContact CD-NZ 3.35Å; E192-K217 IonicContact OE1-NZ 2.92Å; E192-K217 PolarHBondContact OE1-NZ 2.8Å; E192-K217 IonicContact OE2-NZ 3.55Å; E192-K217 PolarHBondContact OE2-NZ 2.96Å |
| 218 | S | 97.5 | Very high | 98.3 | Very high | 35 Ų | 35 | 53.6 Ų | 53.6 | 25% | 0.245 | 25% | 0.249 | C | C | . | . | trans | -141.1 | 160.1 | -170.8 | -173 | 0 | 0 | 0 | 0 | 112.5 | Y205 T220 R490 | Y205-S218 PolarHBondContact OH-O 3.35Å; S218-T220 VanDerWaalsContact C-N 3.27Å; S218-T220 PolarHBondContact OG-N 3.16Å; S218-T220 PolarHBondContact OG-OG1 2.77Å; S218-R490 PolarHBondContact O-NH1 2.95Å; S218-R490 PolarHBondContact O-NH2 2.94Å | ||
| 219 | N | 98.2 | Very high | 98.2 | Very high | 50 Ų | 50 | 53.5 Ų | 53.5 | 27% | 0.267 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -87.4 | 8.8 | 172.6 | 66.3 | -2.5 | 0 | 0 | 0 | 113.5 | N199 Y205 T486 | N199-N219 HydrophobicContact CB-CB 4.36Å; N199-N219 PolarHBondContact ND2-O 3.24Å; Y205-N219 HydrophobicContact CD1-CB 3.4Å; Y205-N219 HydrophobicContact CD2-CB 4.03Å; Y205-N219 HydrophobicContact CE1-CB 3.46Å; Y205-N219 VanDerWaalsContact CE1-CB 3.46Å; Y205-N219 HydrophobicContact CE2-CB 4.08Å; Y205-N219 HydrophobicContact CG-CB 3.71Å; N219-T486 PolarHBondContact O-OG1 2.87Å |
| 220 | T | 98.4 | Very high | 98.1 | Very high | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.012 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -128.2 | 155.9 | 167.2 | 49.8 | 0 | 0 | 0 | 0 | 108.4 | N199 S218 K222 V296 R490 | N199-T220 HydrophobicContact CB-CG2 3.84Å; N199-T220 VanDerWaalsContact N-CG2 3.35Å; S218-T220 VanDerWaalsContact C-N 3.27Å; S218-T220 PolarHBondContact OG-N 3.16Å; S218-T220 PolarHBondContact OG-OG1 2.77Å; T220-K222 PolarHBondContact O-N 2.84Å; T220-K222 WeakPolarHBondContact OG1-CE 3.32Å; T220-K222 PolarHBondContact OG1-NZ 3.4Å; T220-V296 HydrophobicContact CG2-CG1 3.83Å; T220-V296 HydrophobicContact CG2-CG2 4.15Å; T220-R490 PolarHBondContact O-NH2 3.05Å |
| 221 | D | 98.1 | Very high | 97.8 | Very high | 11 Ų | 11 | 45.5 Ų | 45.5 | 6% | 0.059 | 21% | 0.21 | C | C | . | . | trans | -83.9 | 111.4 | 170.6 | -73.6 | -32.4 | 0 | 0 | 0 | 110.4 | D223 A244 N292 R490 R493 | D221-D223 VanDerWaalsContact C-N 3.32Å; D221-A244 HydrophobicContact CB-CB 4.19Å; D221-N292 PolarHBondContact OD2-ND2 2.82Å; D221-N292 PolarHBondContact OD2-OD1 2.79Å; D221-R490 IonicContact OD1-CZ 3.84Å; D221-R490 IonicContact OD1-NE 2.88Å; D221-R490 PolarHBondContact OD1-NE 3.35Å; D221-R490 IonicContact OD1-NH2 3.68Å; D221-R490 PolarHBondContact OD1-NH2 3.14Å; D221-R490 IonicContact OD2-NE 3.9Å; D221-R493 VanDerWaalsContact CG-NH2 3.27Å; D221-R493 IonicContact OD1-NH2 3.09Å; D221-R493 IonicContact OD2-CZ 3.64Å; D221-R493 IonicContact OD2-NH1 2.62Å; D221-R493 IonicContact OD2-NH2 3.34Å; D221-R493 PolarHBondContact OD2-NH2 2.9Å | ||
| 222 | K | 98.3 | Very high | 97.3 | Very high | 26 Ų | 26 | 44.7 Ų | 44.7 | 11% | 0.113 | 21% | 0.205 | C | C | . | . | trans | -83.9 | -11 | 179.5 | -59.4 | -59.7 | -172.8 | -176.1 | 0 | 112.8 | E192 L193 S197 T220 V224 | E192-K222 CarbonylContact C-O 3.48Å; E192-K222 WeakPolarHBondContact CA-O 3.35Å; E192-K222 HydrophobicContact CB-CB 4.27Å; E192-K222 HydrophobicContact CG-CB 4.44Å; L193-K222 PolarHBondContact N-O 2.81Å; L193-K222 WeakPolarHBondContact O-CD 3.24Å; S197-K222 PolarHBondContact O-NZ 2.87Å; S197-K222 PolarHBondContact OG-NZ 3.22Å; T220-K222 PolarHBondContact O-N 2.84Å; T220-K222 WeakPolarHBondContact OG1-CE 3.32Å; T220-K222 PolarHBondContact OG1-NZ 3.4Å; K222-V224 PolarHBondContact O-N 2.85Å | ||
| 223 | D | 97.8 | Very high | 96.4 | Very high | 55 Ų | 55 | 50.4 Ų | 50.4 | 29% | 0.294 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 124.2 | -176.9 | -70.5 | -31.8 | 0 | 0 | 0 | 112.1 | R190 G191 D221 | R190-D223 IonicContact CZ-OD2 2.68Å; R190-D223 VanDerWaalsContact NH1-CB 3.26Å; R190-D223 IonicContact NH1-OD1 2.84Å; R190-D223 IonicContact NH1-OD2 3.61Å; R190-D223 PolarHBondContact NH1-OD2 2.79Å; G191-D223 WeakPolarHBondContact O-CA 3.2Å; D221-D223 VanDerWaalsContact C-N 3.32Å |
| 224 | V | 98.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 123.8 | 163 | -177.9 | 0 | 0 | 0 | 0 | 107.5 | R190 G191 L193 K222 V226 S241 W242 F243 K350 L354 | R190-V224 WeakPolarHBondContact CA-O 3.26Å; G191-V224 PolarHBondContact N-O 3.03Å; G191-V224 PolarHBondContact O-N 2.97Å; L193-V224 HydrophobicContact CB-CG2 3.66Å; L193-V224 HydrophobicContact CD2-CG2 4.16Å; K222-V224 PolarHBondContact O-N 2.85Å; V224-V226 HydrophobicContact CG1-CG2 4.43Å; V224-S241 WeakPolarHBondContact CG1-OG 3.42Å; V224-W242 WeakPolarHBondContact CA-O 3.22Å; V224-F243 HydrophobicContact CG2-CB 4.23Å; V224-F243 HydrophobicContact CG2-CD2 3.55Å; V224-F243 HydrophobicContact CG2-CE2 4.11Å; V224-F243 HydrophobicContact CG2-CG 4.01Å; V224-K350 HydrophobicContact CB-CG 4.06Å; V224-K350 HydrophobicContact CG1-CG 4.4Å; V224-K350 HydrophobicContact CG2-CG 3.89Å; V224-L354 HydrophobicContact CB-CD1 3.91Å; V224-L354 HydrophobicContact CG1-CD1 3.86Å; V224-L354 WeakPolarHBondContact O-CD1 3.45Å |
| 225 | L | 98.4 | Very high | 93.7 | Very high | 5 Ų | 5 | 49.3 Ų | 49.3 | 3% | 0.026 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 132 | 171.2 | -170.6 | 111.7 | 0 | 0 | 0 | 109.8 | R190 L227 S241 W242 E510 V512 | R190-L225 HydrophobicContact CB-CD1 4.3Å; L225-L227 HydrophobicContact CD2-CD2 4.36Å; L225-L227 HydrophobicContact CD2-CG 4.45Å; L225-S241 CarbonylContact O-C 3.53Å; L225-S241 VanDerWaalsContact O-CA 3.24Å; L225-S241 WeakPolarHBondContact O-CA 3.48Å; L225-W242 HydrophobicContact CD2-CE3 4.08Å; L225-W242 HydrophobicContact CD2-CZ3 4.28Å; L225-W242 PolarHBondContact N-O 3.02Å; L225-W242 VanDerWaalsContact N-O 3.15Å; L225-W242 PolarHBondContact O-N 3.32Å; L225-E510 HydrophobicContact CD1-CG 3.62Å; L225-V512 HydrophobicContact CB-CG1 4.08Å; L225-V512 HydrophobicContact CD1-CG1 4.41Å; L225-V512 HydrophobicContact CD2-CG1 3.43Å; L225-V512 VanDerWaalsContact CD2-CG1 3.43Å; L225-V512 HydrophobicContact CG-CG1 4.13Å |
| 226 | V | 98.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 135.3 | 175.6 | 167.1 | 0 | 0 | 0 | 0 | 110.5 | R188 N189 V224 M239 I240 A351 L354 Y355 | R188-V226 VanDerWaalsContact CA-O 3.3Å; R188-V226 WeakPolarHBondContact CA-O 3.32Å; N189-V226 PolarHBondContact N-O 3.47Å; N189-V226 PolarHBondContact O-N 2.9Å; V224-V226 HydrophobicContact CG1-CG2 4.43Å; V226-M239 HydrophobicContact CG1-CG 3.59Å; V226-M239 HydrophobicContact CG1-SD 3.67Å; V226-M239 HydrophobicContact CG2-SD 4.02Å; V226-I240 CarbonylContact C-O 3.44Å; V226-I240 WeakPolarHBondContact CA-O 3.13Å; V226-A351 HydrophobicContact CG2-CB 4.13Å; V226-L354 HydrophobicContact CB-CB 4.14Å; V226-L354 HydrophobicContact CG2-CB 3.86Å; V226-L354 HydrophobicContact CG2-CD1 4.18Å; V226-Y355 HydrophobicContact CG1-CD2 4.39Å |
| 227 | L | 98.6 | Very high | 93.1 | Very high | 6 Ų | 6 | 41.9 Ų | 41.9 | 3% | 0.031 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 118 | 157.5 | -62.8 | -177.1 | 0 | 0 | 0 | 109.1 | I186 Y187 R188 L225 F229 M239 I240 W242 V362 V475 | I186-L227 HydrophobicContact CG2-CB 4.39Å; I186-L227 HydrophobicContact CG2-CD2 4.41Å; Y187-L227 CarbonylContact O-C 3.53Å; Y187-L227 WeakPolarHBondContact O-CA 3.38Å; R188-L227 HydrophobicContact CB-CD2 3.66Å; L225-L227 HydrophobicContact CD2-CD2 4.36Å; L225-L227 HydrophobicContact CD2-CG 4.45Å; L227-F229 HydrophobicContact CB-CE2 3.87Å; L227-F229 HydrophobicContact CB-CZ 4.01Å; L227-F229 HydrophobicContact CD1-CZ 4.4Å; L227-F229 WeakPolarHBondContact O-CE2 3.28Å; L227-M239 CarbonylContact O-C 3.6Å; L227-M239 VanDerWaalsContact O-CA 3.26Å; L227-M239 WeakPolarHBondContact O-CA 3.2Å; L227-M239 WeakPolarHBondContact O-CG 3.29Å; L227-I240 PolarHBondContact N-O 3.01Å; L227-I240 PolarHBondContact O-N 3.26Å; L227-W242 HydrophobicContact CB-CZ3 4.47Å; L227-W242 HydrophobicContact CD1-CH2 3.91Å; L227-W242 HydrophobicContact CD1-CZ3 3.87Å; L227-W242 HydrophobicContact CG-CH2 4.41Å; L227-W242 HydrophobicContact CG-CZ3 3.87Å; L227-V362 HydrophobicContact CD2-CG2 4.22Å; L227-V475 HydrophobicContact CD1-CG1 4.18Å; L227-V475 HydrophobicContact CD2-CG1 4.33Å; L227-V475 HydrophobicContact CD2-CG2 3.98Å |
| 228 | K | 98.3 | Very high | 93.2 | Very high | 35 Ų | 35 | 33.5 Ų | 33.5 | 15% | 0.152 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 128.1 | 172.5 | 162.2 | 171 | -179.1 | -171.2 | 0 | 109 | I186 Y187 T230 Y355 A358 | I186-K228 CarbonylContact C-O 3.57Å; I186-K228 VanDerWaalsContact CA-O 3.31Å; I186-K228 WeakPolarHBondContact CA-O 3.24Å; Y187-K228 HydrophobicContact CD2-CG 4.45Å; Y187-K228 PolarHBondContact N-O 3.33Å; Y187-K228 PolarHBondContact O-N 2.97Å; K228-T230 HydrophobicContact CD-CG2 4.25Å; K228-T230 HydrophobicContact CG-CG2 3.97Å; K228-Y355 HydrophobicContact CB-CD2 3.72Å; K228-Y355 HydrophobicContact CB-CE2 3.61Å; K228-Y355 HydrophobicContact CD-CD1 4.37Å; K228-Y355 HydrophobicContact CD-CD2 4.13Å; K228-Y355 HydrophobicContact CD-CE1 4.01Å; K228-Y355 HydrophobicContact CD-CE2 3.8Å; K228-Y355 HydrophobicContact CD-CG 4.39Å; K228-Y355 WeakPolarHBondContact CD-O 3.48Å; K228-Y355 HydrophobicContact CG-CD2 3.96Å; K228-Y355 HydrophobicContact CG-CE1 4.48Å; K228-Y355 HydrophobicContact CG-CE2 3.41Å; K228-Y355 VanDerWaalsContact CG-CE2 3.41Å; K228-A358 HydrophobicContact CB-CB 4.2Å; K228-A358 HydrophobicContact CD-CB 4.24Å |
| 229 | F | 98.3 | Very high | 93.2 | Very high | 1 Ų | 1 | 31.8 Ų | 31.8 | 0% | 0.004 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 131.8 | 174.2 | -57.9 | -92.3 | 0 | 0 | 0 | 108.9 | I49 F87 I89 I186 L227 I237 G238 I240 | I49-F229 HydrophobicContact CD1-CD1 4.26Å; I49-F229 HydrophobicContact CG2-CB 4.18Å; I49-F229 HydrophobicContact CG2-CD1 3.63Å; I49-F229 HydrophobicContact CG2-CE1 4.47Å; I49-F229 HydrophobicContact CG2-CG 4.24Å; F87-F229 HydrophobicContact CD1-CD2 4.11Å; F87-F229 AromaticContact CD1-CE2 3.87Å; F87-F229 HydrophobicContact CD1-CE2 3.87Å; F87-F229 HydrophobicContact CD1-CZ 4.27Å; F87-F229 HydrophobicContact CE1-CD2 4.33Å; F87-F229 HydrophobicContact CE1-CE2 4.26Å; I89-F229 HydrophobicContact CD1-CE1 4.06Å; I89-F229 HydrophobicContact CG1-CE1 3.93Å; I186-F229 HydrophobicContact CD1-CD1 4.03Å; I186-F229 HydrophobicContact CD1-CE1 3.77Å; I186-F229 HydrophobicContact CG1-CD1 3.78Å; I186-F229 HydrophobicContact CG1-CE1 3.97Å; I186-F229 HydrophobicContact CG2-CD1 4.45Å; I186-F229 HydrophobicContact CG2-CE1 4.24Å; L227-F229 HydrophobicContact CB-CE2 3.87Å; L227-F229 HydrophobicContact CB-CZ 4.01Å; L227-F229 HydrophobicContact CD1-CZ 4.4Å; L227-F229 WeakPolarHBondContact O-CE2 3.28Å; F229-I237 HydrophobicContact CB-CD1 4.4Å; F229-I237 HydrophobicContact CB-CG1 3.82Å; F229-I237 PolarHBondContact O-N 2.78Å; F229-G238 PolarHBondContact N-O 3.49Å; F229-G238 PolarHBondContact O-N 2.98Å; F229-I240 HydrophobicContact CE2-CB 4.29Å; F229-I240 HydrophobicContact CE2-CD1 3.8Å; F229-I240 HydrophobicContact CE2-CG1 3.73Å; F229-I240 HydrophobicContact CZ-CD1 3.69Å; F229-I240 HydrophobicContact CZ-CG1 4.17Å |
| 230 | T | 96.4 | Very high | 93.3 | Very high | 4 Ų | 4 | 29.6 Ų | 29.6 | 3% | 0.025 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 149.1 | 179.8 | 52.6 | 0 | 0 | 0 | 0 | 109.3 | G184 R185 Y187 K228 | G184-T230 CarbonylContact C-O 3.5Å; G184-T230 WeakPolarHBondContact CA-O 3.47Å; R185-T230 PolarHBondContact N-O 2.92Å; R185-T230 PolarHBondContact O-N 2.69Å; R185-T230 PolarHBondContact O-OG1 3.28Å; Y187-T230 HydrophobicContact CD2-CG2 4.31Å; Y187-T230 HydrophobicContact CE2-CG2 4.23Å; Y187-T230 WeakPolarHBondContact CE2-OG1 3.5Å; K228-T230 HydrophobicContact CD-CG2 4.25Å; K228-T230 HydrophobicContact CG-CG2 3.97Å |
| 231 | D | 90.5 | Very high | 93.3 | Very high | 22 Ų | 22 | 29.5 Ų | 29.5 | 12% | 0.118 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | -175.9 | 158.8 | 55.8 | 33 | 0 | 0 | 0 | 110.6 | K182 D233 G234 D235 I237 | K182-D231 HydrophobicContact CD-CB 3.88Å; K182-D231 HydrophobicContact CG-CB 4.45Å; K182-D231 IonicContact NZ-OD2 2.92Å; K182-D231 PolarHBondContact NZ-OD2 2.84Å; D231-D233 PolarHBondContact O-N 2.88Å; D231-D233 PolarHBondContact OD1-N 3.45Å; D231-G234 PolarHBondContact O-N 3.35Å; D231-G234 PolarHBondContact OD1-N 3.42Å; D231-D235 PolarHBondContact N-O 3.14Å; D231-I237 HydrophobicContact CB-CG2 4.03Å |
| 232 | L | 88.3 | Confident | 93.3 | Very high | 100 Ų | 100 | 29.2 Ų | 29.2 | 52% | 0.524 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -18.3 | -178 | -64.1 | -177.6 | 0 | 0 | 0 | 113.6 | P46 P183 G234 | P46-L232 HydrophobicContact CB-CD2 4Å; P46-L232 HydrophobicContact CG-CD2 4.34Å; P183-L232 HydrophobicContact CB-CD1 3.79Å; P183-L232 HydrophobicContact CB-CD2 4.48Å; P183-L232 HydrophobicContact CB-CG 4Å; L232-G234 PolarHBondContact O-N 2.91Å |
| 233 | D | 79.6 | Confident | 93.3 | Very high | 148 Ų | 148 | 28 Ų | 28 | 79% | 0.791 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -10 | 178.7 | -60.8 | -41 | 0 | 0 | 0 | 111.5 | D231 D235 | D231-D233 PolarHBondContact O-N 2.88Å; D231-D233 PolarHBondContact OD1-N 3.45Å; D233-D235 VanDerWaalsContact C-N 3.31Å |
| 234 | G | 71.4 | Confident | 93.4 | Very high | 42 Ų | 42 | 25.5 Ų | 25.5 | 43% | 0.433 | 15% | 0.15 | S | C | . | . | trans | 88.9 | -5.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114 | D231 L232 G236 | D231-G234 PolarHBondContact O-N 3.35Å; D231-G234 PolarHBondContact OD1-N 3.42Å; L232-G234 PolarHBondContact O-N 2.91Å; G234-G236 PolarHBondContact O-N 2.83Å | ||
| 235 | D | 70.3 | Confident | 93.4 | Very high | 124 Ų | 124 | 25.5 Ų | 25.5 | 66% | 0.663 | 15% | 0.15 | S | C | * | . | trans | -72.7 | 127.9 | 171.9 | -78 | -26.2 | 0 | 0 | 0 | 109.1 | D231 D233 I237 | D231-D235 PolarHBondContact N-O 3.14Å; D233-D235 VanDerWaalsContact C-N 3.31Å; D235-I237 PolarHBondContact O-N 2.87Å | ||
| 236 | G | 87.1 | Confident | 93.4 | Very high | 26 Ų | 26 | 25.2 Ų | 25.2 | 27% | 0.268 | 15% | 0.149 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.7 | 130.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | G234 F284 Y355 | G234-G236 PolarHBondContact O-N 2.83Å; G236-F284 WeakPolarHBondContact O-CD2 3.32Å; G236-Y355 WeakPolarHBondContact CA-OH 3.47Å |
| 237 | I | 96.4 | Very high | 93.4 | Very high | 11 Ų | 11 | 25.2 Ų | 25.2 | 6% | 0.056 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | -24.5 | 175.3 | 66.4 | 170.4 | 0 | 0 | 0 | 112 | I49 V51 F229 D231 D235 F284 V285 | I49-I237 HydrophobicContact CB-CD1 4.06Å; I49-I237 HydrophobicContact CG2-CD1 3.77Å; V51-I237 HydrophobicContact CG1-CD1 4.47Å; V51-I237 HydrophobicContact CG1-CG1 4.44Å; V51-I237 HydrophobicContact CG2-CB 4.5Å; V51-I237 WeakPolarHBondContact CG2-O 3.31Å; F229-I237 HydrophobicContact CB-CD1 4.4Å; F229-I237 HydrophobicContact CB-CG1 3.82Å; F229-I237 PolarHBondContact O-N 2.78Å; D231-I237 HydrophobicContact CB-CG2 4.03Å; D235-I237 PolarHBondContact O-N 2.87Å; I237-F284 WeakPolarHBondContact O-CA 3.47Å; I237-V285 PolarHBondContact O-N 2.74Å |
| 238 | G | 98.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -174.9 | -180 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | F229 F284 V285 | F229-G238 PolarHBondContact N-O 3.49Å; F229-G238 PolarHBondContact O-N 2.98Å; G238-F284 VanDerWaalsContact CA-CE2 3.49Å; G238-V285 CarbonylContact C-O 3.57Å; G238-V285 WeakPolarHBondContact CA-O 3.48Å |
| 239 | M | 98.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 142.8 | 179 | -172.3 | -169 | 74.9 | 0 | 0 | 111 | F87 V226 L227 L269 F284 V285 G287 F288 A351 Y355 | F87-M239 WeakPolarHBondContact CE1-O 3.49Å; F87-M239 WeakPolarHBondContact CZ-O 3.46Å; V226-M239 HydrophobicContact CG1-CG 3.59Å; V226-M239 HydrophobicContact CG1-SD 3.67Å; V226-M239 HydrophobicContact CG2-SD 4.02Å; L227-M239 CarbonylContact O-C 3.6Å; L227-M239 VanDerWaalsContact O-CA 3.26Å; L227-M239 WeakPolarHBondContact O-CA 3.2Å; L227-M239 WeakPolarHBondContact O-CG 3.29Å; M239-L269 HydrophobicContact CB-CD2 4.28Å; M239-L269 HydrophobicContact CE-CD2 3.14Å; M239-L269 HydrophobicContact SD-CD2 3.47Å; M239-L269 WeakPolarHBondContact SD-CD2 3.47Å; M239-F284 HydrophobicContact CB-CZ 4.11Å; M239-V285 PolarHBondContact N-O 3.22Å; M239-G287 PolarHBondContact O-N 2.87Å; M239-F288 HydrophobicContact CE-CD2 4.34Å; M239-F288 HydrophobicContact CE-CE1 4.19Å; M239-F288 HydrophobicContact CE-CE2 3.64Å; M239-F288 HydrophobicContact CE-CZ 3.56Å; M239-A351 HydrophobicContact CE-CB 3.91Å; M239-A351 HydrophobicContact SD-CB 4.22Å; M239-Y355 HydrophobicContact CB-CD2 3.87Å; M239-Y355 HydrophobicContact CB-CE2 3.98Å; M239-Y355 HydrophobicContact CG-CD2 3.71Å; M239-Y355 HydrophobicContact CG-CE2 4.29Å; M239-Y355 HydrophobicContact SD-CD2 3.78Å; M239-Y355 HydrophobicContact SD-CG 4.26Å |
| 240 | I | 98.8 | Very high | 93.4 | Very high | 3 Ų | 3 | 23.4 Ų | 23.4 | 2% | 0.015 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 135.5 | 158.4 | -53.8 | 161 | 0 | 0 | 0 | 109.1 | F87 F98 V226 L227 F229 W242 G287 | F87-I240 HydrophobicContact CB-CD1 3.88Å; F87-I240 HydrophobicContact CB-CG1 4.49Å; F87-I240 HydrophobicContact CD1-CD1 3.95Å; F87-I240 HydrophobicContact CD1-CG1 3.68Å; F87-I240 HydrophobicContact CD2-CD1 3.67Å; F87-I240 HydrophobicContact CD2-CG1 3.53Å; F87-I240 HydrophobicContact CE1-CD1 4.44Å; F87-I240 HydrophobicContact CE1-CG1 3.66Å; F87-I240 HydrophobicContact CE2-CD1 4.2Å; F87-I240 HydrophobicContact CE2-CG1 3.53Å; F87-I240 HydrophobicContact CG-CD1 3.55Å; F87-I240 HydrophobicContact CG-CG1 3.63Å; F87-I240 HydrophobicContact CZ-CG1 3.6Å; F98-I240 HydrophobicContact CD1-CD1 3.72Å; F98-I240 HydrophobicContact CD1-CG1 4.44Å; F98-I240 HydrophobicContact CD1-CG2 4.43Å; F98-I240 HydrophobicContact CE1-CD1 4.33Å; F98-I240 HydrophobicContact CE1-CG2 3.97Å; F98-I240 HydrophobicContact CG-CD1 4.49Å; V226-I240 CarbonylContact C-O 3.44Å; V226-I240 WeakPolarHBondContact CA-O 3.13Å; L227-I240 PolarHBondContact N-O 3.01Å; L227-I240 PolarHBondContact O-N 3.26Å; F229-I240 HydrophobicContact CE2-CB 4.29Å; F229-I240 HydrophobicContact CE2-CD1 3.8Å; F229-I240 HydrophobicContact CE2-CG1 3.73Å; F229-I240 HydrophobicContact CZ-CD1 3.69Å; F229-I240 HydrophobicContact CZ-CG1 4.17Å; I240-W242 HydrophobicContact CB-CE3 4.48Å; I240-W242 HydrophobicContact CB-CH2 3.71Å; I240-W242 HydrophobicContact CB-CZ2 4.41Å; I240-W242 HydrophobicContact CB-CZ3 3.73Å; I240-W242 HydrophobicContact CD1-CH2 3.97Å; I240-W242 HydrophobicContact CG1-CH2 4.47Å; I240-W242 HydrophobicContact CG2-CD2 4.07Å; I240-W242 HydrophobicContact CG2-CE3 3.83Å; I240-W242 HydrophobicContact CG2-CH2 3.25Å; I240-W242 HydrophobicContact CG2-CZ2 3.49Å; I240-W242 VanDerWaalsContact CG2-CZ2 3.49Å; I240-W242 HydrophobicContact CG2-CZ3 3.41Å; I240-W242 VanDerWaalsContact CG2-CZ3 3.41Å; I240-G287 CarbonylContact C-O 3.56Å; I240-G287 VanDerWaalsContact CA-O 3.26Å; I240-G287 WeakPolarHBondContact CA-O 3.1Å |
| 241 | S | 98.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 139.8 | 172.3 | -179.9 | 0 | 0 | 0 | 0 | 110.8 | V224 L225 G287 S289 | V224-S241 WeakPolarHBondContact CG1-OG 3.42Å; L225-S241 CarbonylContact O-C 3.53Å; L225-S241 VanDerWaalsContact O-CA 3.24Å; L225-S241 WeakPolarHBondContact O-CA 3.48Å; S241-G287 PolarHBondContact N-O 2.91Å; S241-S289 PolarHBondContact O-N 3.43Å |
| 242 | W | 98.9 | Very high | 93.6 | Very high | 5 Ų | 5 | 26 Ų | 26 | 2% | 0.019 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 128.4 | 171.5 | -70.5 | -95.1 | 0 | 0 | 0 | 110.2 | F98 V224 L225 L227 I240 S289 V477 V512 I513 | F98-W242 HydrophobicContact CD1-CZ2 4.42Å; F98-W242 AromaticContact CE1-CZ2 3.93Å; F98-W242 HydrophobicContact CE1-CZ2 3.93Å; F98-W242 HydrophobicContact CE2-CZ2 4.32Å; F98-W242 AromaticContact CZ-CZ2 3.89Å; F98-W242 HydrophobicContact CZ-CZ2 3.89Å; F98-W242 AromaticContact CZ-NE1 3.91Å; V224-W242 WeakPolarHBondContact CA-O 3.22Å; L225-W242 HydrophobicContact CD2-CE3 4.08Å; L225-W242 HydrophobicContact CD2-CZ3 4.28Å; L225-W242 PolarHBondContact N-O 3.02Å; L225-W242 VanDerWaalsContact N-O 3.15Å; L225-W242 PolarHBondContact O-N 3.32Å; L227-W242 HydrophobicContact CB-CZ3 4.47Å; L227-W242 HydrophobicContact CD1-CH2 3.91Å; L227-W242 HydrophobicContact CD1-CZ3 3.87Å; L227-W242 HydrophobicContact CG-CH2 4.41Å; L227-W242 HydrophobicContact CG-CZ3 3.87Å; I240-W242 HydrophobicContact CB-CE3 4.48Å; I240-W242 HydrophobicContact CB-CH2 3.71Å; I240-W242 HydrophobicContact CB-CZ2 4.41Å; I240-W242 HydrophobicContact CB-CZ3 3.73Å; I240-W242 HydrophobicContact CD1-CH2 3.97Å; I240-W242 HydrophobicContact CG1-CH2 4.47Å; I240-W242 HydrophobicContact CG2-CD2 4.07Å; I240-W242 HydrophobicContact CG2-CE3 3.83Å; I240-W242 HydrophobicContact CG2-CH2 3.25Å; I240-W242 HydrophobicContact CG2-CZ2 3.49Å; I240-W242 VanDerWaalsContact CG2-CZ2 3.49Å; I240-W242 HydrophobicContact CG2-CZ3 3.41Å; I240-W242 VanDerWaalsContact CG2-CZ3 3.41Å; W242-S289 PolarHBondContact NE1-OG 3.48Å; W242-V477 HydrophobicContact CH2-CG2 4.18Å; W242-V477 HydrophobicContact CZ2-CG1 4.12Å; W242-V477 HydrophobicContact CZ2-CG2 3.95Å; W242-V512 HydrophobicContact CD2-CB 4.27Å; W242-V512 HydrophobicContact CD2-CG1 4.48Å; W242-V512 HydrophobicContact CD2-CG2 4.02Å; W242-V512 HydrophobicContact CE3-CG1 4.47Å; W242-V512 HydrophobicContact CE3-CG2 4.35Å; W242-V512 HydrophobicContact CG-CB 4.27Å; W242-V512 HydrophobicContact CG-CG2 4.46Å; W242-V512 HydrophobicContact CH2-CG2 4.45Å; W242-V512 HydrophobicContact CZ2-CG2 4.15Å; W242-I513 VanDerWaalsContact CD1-O 3.28Å |
| 243 | F | 98.8 | Very high | 93.9 | Very high | 1 Ų | 1 | 25.3 Ų | 25.3 | 0% | 0.004 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 143.6 | 173.7 | -177.7 | -124.3 | 0 | 0 | 0 | 110.2 | L193 V224 V245 I347 | L193-F243 HydrophobicContact CB-CE2 4.11Å; L193-F243 HydrophobicContact CB-CZ 4.27Å; L193-F243 HydrophobicContact CD2-CD1 4.33Å; L193-F243 HydrophobicContact CD2-CE1 3.9Å; L193-F243 HydrophobicContact CD2-CE2 4.29Å; L193-F243 HydrophobicContact CD2-CZ 3.88Å; L193-F243 HydrophobicContact CG-CZ 4.18Å; V224-F243 HydrophobicContact CG2-CB 4.23Å; V224-F243 HydrophobicContact CG2-CD2 3.55Å; V224-F243 HydrophobicContact CG2-CE2 4.11Å; V224-F243 HydrophobicContact CG2-CG 4.01Å; F243-V245 HydrophobicContact CD1-CB 4.04Å; F243-V245 HydrophobicContact CD1-CG1 3.53Å; F243-V245 HydrophobicContact CE1-CB 3.82Å; F243-V245 HydrophobicContact CE1-CG1 3.69Å; F243-V245 PolarHBondContact O-N 3.42Å; F243-I347 HydrophobicContact CD1-CD1 3.98Å; F243-I347 HydrophobicContact CD1-CG1 3.89Å; F243-I347 HydrophobicContact CE1-CD1 4.23Å; F243-I347 HydrophobicContact CE1-CG1 4.06Å |
| 244 | A | 98.6 | Very high | 94.8 | Very high | 2 Ų | 2 | 18.6 Ų | 18.6 | 2% | 0.017 | 12% | 0.115 | C | C | . | . | trans | -92.9 | 92.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | D221 V296 | D221-A244 HydrophobicContact CB-CB 4.19Å; A244-V296 WeakPolarHBondContact O-CG1 3.41Å | ||
| 245 | V | 98.8 | Very high | 96 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.115 | C | C | . | . | trans | -155.3 | 141.3 | 170.3 | 68.5 | 0 | 0 | 0 | 0 | 109.9 | F243 M262 L293 P298 I347 | F243-V245 HydrophobicContact CD1-CB 4.04Å; F243-V245 HydrophobicContact CD1-CG1 3.53Å; F243-V245 HydrophobicContact CE1-CB 3.82Å; F243-V245 HydrophobicContact CE1-CG1 3.69Å; F243-V245 PolarHBondContact O-N 3.42Å; V245-M262 HydrophobicContact CG1-SD 4.06Å; V245-L293 WeakPolarHBondContact O-CD2 3.37Å; V245-P298 HydrophobicContact CG2-CB 3.72Å; V245-P298 HydrophobicContact CG2-CG 4.41Å; V245-I347 HydrophobicContact CG1-CD1 3.97Å | ||
| 246 | H | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.085 | C | C | . | . | trans | -63.5 | 141.8 | 170.5 | -85.7 | 78.1 | 0 | 0 | 0 | 111.6 | H137 R200 V248 N261 L293 V296 P298 E483 | H137-H246 AromaticContact CD2-CD2 3.2Å; H137-H246 PolarHBondContact CD2-CD2 3.28Å; H137-H246 AromaticContact CD2-NE2 3.52Å; H137-H246 AromaticContact NE2-CD2 3.21Å; H137-H246 PolarHBondContact NE2-CD2 2.99Å; H137-H246 AromaticContact NE2-NE2 3.25Å; H137-H246 PolarHBondContact NE2-NE2 3.11Å; R200-H246 VanDerWaalsContact CZ-CE1 3.46Å; R200-H246 PolarHBondContact NH1-CE1 3.42Å; R200-H246 PolarHBondContact NH2-CE1 2.81Å; R200-H246 PolarHBondContact NH2-NE2 2.97Å; H246-V248 VanDerWaalsContact C-N 3.28Å; H246-V248 HydrophobicContact CB-CB 4.25Å; H246-V248 HydrophobicContact CB-CG1 4.01Å; H246-V248 HydrophobicContact CB-CG2 3.43Å; H246-V248 VanDerWaalsContact CB-CG2 3.43Å; H246-V248 PolarHBondContact O-N 2.9Å; H246-N261 PolarHBondContact O-ND2 2.84Å; H246-L293 WeakPolarHBondContact CE1-CD1 3.21Å; H246-L293 PolarHBondContact CE1-O 2.92Å; H246-L293 PolarHBondContact ND1-O 2.92Å; H246-V296 WeakPolarHBondContact CB-O 3.17Å; H246-V296 PolarHBondContact N-O 3.34Å; H246-V296 PolarHBondContact ND1-O 2.79Å; H246-P298 VanDerWaalsContact O-CD 3.31Å; H246-P298 WeakPolarHBondContact O-CD 3.26Å; H246-P298 VanDerWaalsContact O-CG 3.3Å; H246-P298 WeakPolarHBondContact O-CG 3.5Å; H246-E483 IonicContact CD2-OE2 3.93Å; H246-E483 IonicContact CE1-OE2 3.26Å; H246-E483 PolarHBondContact CE1-OE2 3.15Å; H246-E483 IonicContact NE2-OE2 3.84Å; H246-E483 PolarHBondContact NE2-OE2 2.82Å | ||
| 247 | A | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 7% | 0.073 | C | C | . | . | B | Isolated β-bridge | trans | -89.7 | 67.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | H137 H139 D260 N261 M262 | H137-A247 VanDerWaalsContact O-CB 3.31Å; H137-A247 WeakPolarHBondContact O-CB 3.49Å; H139-A247 PolarHBondContact N-O 2.72Å; A247-D260 WeakPolarHBondContact CA-OD1 3.27Å; A247-D260 HydrophobicContact CB-CB 3.93Å; A247-N261 WeakPolarHBondContact CA-OD1 3.45Å; A247-N261 WeakPolarHBondContact CB-OD1 3.24Å; A247-M262 HydrophobicContact CB-CG 4.25Å |
| 248 | V | 98.5 | Very high | 98 | Very high | 1 Ų | 1 | 14.7 Ų | 14.7 | 1% | 0.006 | 7% | 0.07 | C | C | . | . | trans | -130.9 | 26.5 | -175.7 | -64.1 | 0 | 0 | 0 | 0 | 112.2 | Y68 H139 H246 M250 D260 P298 D405 | Y68-V248 HydrophobicContact CE1-CG1 4.48Å; Y68-V248 VanDerWaalsContact OH-CB 3.28Å; Y68-V248 WeakPolarHBondContact OH-CB 3.35Å; Y68-V248 PolarHBondContact OH-O 3.1Å; H139-V248 HydrophobicContact CB-CG1 4.19Å; H139-V248 VanDerWaalsContact CD2-CG1 3.43Å; H139-V248 WeakPolarHBondContact CD2-CG1 3.08Å; H246-V248 VanDerWaalsContact C-N 3.28Å; H246-V248 HydrophobicContact CB-CB 4.25Å; H246-V248 HydrophobicContact CB-CG1 4.01Å; H246-V248 HydrophobicContact CB-CG2 3.43Å; H246-V248 VanDerWaalsContact CB-CG2 3.43Å; H246-V248 PolarHBondContact O-N 2.9Å; V248-M250 VanDerWaalsContact C-N 3.26Å; V248-D260 PolarHBondContact N-OD1 2.97Å; V248-P298 VanDerWaalsContact CG2-CD 3.4Å; V248-P298 HydrophobicContact CG2-CG 3.7Å; V248-D405 HydrophobicContact CG2-CB 4.01Å | ||
| 249 | S | 98.6 | Very high | 98.1 | Very high | 3 Ų | 3 | 15 Ų | 15 | 2% | 0.021 | 7% | 0.072 | C | C | . | . | S | Bend | trans | -68.1 | -32.8 | 173.4 | -68.9 | 0 | 0 | 0 | 0 | 111 | N251 D260 N261 P298 T340 | S249-N251 PolarHBondContact O-N 2.84Å; S249-D260 WeakPolarHBondContact CB-OD1 3.5Å; S249-D260 PolarHBondContact N-OD1 2.92Å; S249-D260 PolarHBondContact N-OD2 3.31Å; S249-N261 PolarHBondContact OG-ND2 2.88Å; S249-P298 WeakPolarHBondContact OG-CB 3.44Å; S249-P298 WeakPolarHBondContact OG-CG 3.28Å; S249-T340 VanDerWaalsContact CB-CA 3.49Å; S249-T340 WeakPolarHBondContact CB-OG1 3.35Å |
| 250 | M | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 7% | 0.072 | C | C | . | . | S | Bend | trans | -81.9 | 100.6 | 166.9 | -61.7 | -65.9 | -76.3 | 0 | 0 | 109.8 | Y68 C140 V248 N254 D260 M336 F337 T340 | Y68-M250 WeakPolarHBondContact CE2-O 3.34Å; Y68-M250 PolarHBondContact OH-O 3.06Å; C140-M250 WeakPolarHBondContact SG-CB 3.4Å; V248-M250 VanDerWaalsContact C-N 3.26Å; M250-N254 HydrophobicContact CB-CB 4.36Å; M250-N254 HydrophobicContact CE-CB 4.18Å; M250-D260 WeakPolarHBondContact CB-OD2 3.24Å; M250-D260 VanDerWaalsContact CG-OD2 3.3Å; M250-D260 WeakPolarHBondContact CG-OD2 3.42Å; M250-D260 PolarHBondContact N-OD2 3.03Å; M250-M336 HydrophobicContact CE-CG 4.31Å; M250-M336 HydrophobicContact CE-SD 3.74Å; M250-M336 HydrophobicContact SD-CB 4.11Å; M250-M336 HydrophobicContact SD-CG 3.89Å; M250-M336 HydrophobicContact SD-SD 3.94Å; M250-F337 HydrophobicContact CE-CD1 3.67Å; M250-F337 HydrophobicContact CE-CE1 3.24Å; M250-F337 HydrophobicContact CE-CG 4.46Å; M250-F337 HydrophobicContact CE-CZ 3.72Å; M250-F337 HydrophobicContact SD-CD1 3.93Å; M250-F337 HydrophobicContact SD-CE1 4.13Å; M250-F337 HydrophobicContact SD-CG 4.38Å; M250-T340 HydrophobicContact CG-CG2 4.26Å; M250-T340 WeakPolarHBondContact CG-OG1 3.36Å; M250-T340 PolarHBondContact N-OG1 3.42Å; M250-T340 PolarHBondContact SD-OG1 2.85Å; M250-T340 VanDerWaalsContact SD-OG1 3.4Å |
| 251 | N | 96.4 | Very high | 98.1 | Very high | 33 Ų | 33 | 14.8 Ų | 14.8 | 18% | 0.176 | 7% | 0.071 | C | C | . | . | trans | -68.5 | 173.5 | -174.9 | 80 | 33.7 | 0 | 0 | 0 | 114.1 | Y68 S249 T253 N254 M336 | Y68-N251 WeakPolarHBondContact OH-CA 3.41Å; S249-N251 PolarHBondContact O-N 2.84Å; N251-T253 PolarHBondContact O-N 2.82Å; N251-T253 WeakPolarHBondContact OD1-CB 3.44Å; N251-T253 PolarHBondContact OD1-N 3.34Å; N251-T253 PolarHBondContact OD1-OG1 2.91Å; N251-N254 VanDerWaalsContact O-CB 3.24Å; N251-N254 WeakPolarHBondContact O-CB 3.39Å; N251-N254 PolarHBondContact O-N 2.93Å; N251-M336 HydrophobicContact CB-CE 4.04Å; N251-M336 WeakPolarHBondContact ND2-CE 3.32Å; N251-M336 WeakPolarHBondContact OD1-CE 3.46Å | ||
| 252 | Y | 93.8 | Very high | 98.1 | Very high | 47 Ų | 47 | 14.9 Ų | 14.9 | 18% | 0.184 | 7% | 0.071 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -10.8 | -176.6 | 68.7 | -96.4 | 0 | 0 | 0 | 116.2 | Y68 N70 Q73 Q328 | Y68-Y252 VanDerWaalsContact CG-CB 3.5Å; N70-Y252 WeakPolarHBondContact ND2-CD2 3.35Å; Q73-Y252 WeakPolarHBondContact CG-O 3.43Å; Y252-Q328 PolarHBondContact OH-NE2 3.39Å |
| 253 | T | 95.6 | Very high | 98 | Very high | 85 Ų | 85 | 14.7 Ų | 14.7 | 52% | 0.521 | 7% | 0.071 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -15.5 | 173.7 | 68.9 | 0 | 0 | 0 | 0 | 112.7 | N251 M336 | N251-T253 PolarHBondContact O-N 2.82Å; N251-T253 WeakPolarHBondContact OD1-CB 3.44Å; N251-T253 PolarHBondContact OD1-N 3.34Å; N251-T253 PolarHBondContact OD1-OG1 2.91Å; T253-M336 WeakPolarHBondContact OG1-CE 3.45Å |
| 254 | N | 97.7 | Very high | 98 | Very high | 7 Ų | 7 | 15.3 Ų | 15.3 | 4% | 0.037 | 7% | 0.074 | C | C | . | . | trans | -62.1 | 137.1 | 174.5 | 173.4 | 48.7 | 0 | 0 | 0 | 111.1 | Q73 C140 M250 N251 M256 M336 | Q73-N254 WeakPolarHBondContact CG-O 3.26Å; Q73-N254 PolarHBondContact NE2-O 3.36Å; C140-N254 PolarHBondContact SG-ND2 3.18Å; M250-N254 HydrophobicContact CB-CB 4.36Å; M250-N254 HydrophobicContact CE-CB 4.18Å; N251-N254 VanDerWaalsContact O-CB 3.24Å; N251-N254 WeakPolarHBondContact O-CB 3.39Å; N251-N254 PolarHBondContact O-N 2.93Å; N254-M256 PolarHBondContact ND2-O 3.43Å; N254-M256 PolarHBondContact OD1-N 2.81Å; N254-M336 HydrophobicContact CB-CE 4.18Å; N254-M336 HydrophobicContact CB-SD 3.83Å | ||
| 255 | R | 97.9 | Very high | 98 | Very high | 114 Ų | 114 | 15.2 Ų | 15.2 | 43% | 0.43 | 7% | 0.073 | S | C | . | . | trans | -121.2 | 6.2 | 174.7 | -63.4 | -172.2 | 67 | -166.1 | 1.8 | 113.3 | T74 A75 A76 | T74-R255 WeakPolarHBondContact O-CB 3.23Å; T74-R255 PolarHBondContact O-NE 3Å; T74-R255 PolarHBondContact O-NH2 3.47Å; T74-R255 PolarHBondContact OG1-NH2 3.17Å; A75-R255 CarbonylContact C-O 3.55Å; A75-R255 VanDerWaalsContact CA-O 3.29Å; A75-R255 WeakPolarHBondContact CA-O 3.29Å; A76-R255 HydrophobicContact CB-CB 3.96Å; A76-R255 PolarHBondContact N-O 3.38Å | ||
| 256 | M | 98 | Very high | 98.1 | Very high | 7 Ų | 7 | 15.2 Ų | 15.2 | 3% | 0.034 | 7% | 0.073 | C | C | . | . | S | Bend | trans | -97.2 | 143.6 | 177.1 | -63.9 | -166.1 | -74.1 | 0 | 0 | 111.3 | G77 H79 N254 S258 F337 R662 H664 | G77-M256 WeakPolarHBondContact O-CA 3.4Å; H79-M256 HydrophobicContact CB-CB 4.01Å; H79-M256 HydrophobicContact CB-CE 3.94Å; H79-M256 HydrophobicContact CB-SD 4.18Å; N254-M256 PolarHBondContact ND2-O 3.43Å; N254-M256 PolarHBondContact OD1-N 2.81Å; M256-S258 PolarHBondContact O-N 2.88Å; M256-F337 HydrophobicContact CE-CE1 3.23Å; M256-F337 HydrophobicContact CE-CE2 4.42Å; M256-F337 HydrophobicContact CE-CZ 3.17Å; M256-R662 HydrophobicContact CE-CB 4.47Å; M256-R662 HydrophobicContact CE-CG 4.24Å; M256-R662 HydrophobicContact SD-CB 4.12Å; M256-R662 HydrophobicContact SD-CG 4.48Å; M256-H664 VanDerWaalsContact SD-CE1 3.57Å |
| 257 | V | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 8% | 0.077 | C | C | . | . | B | Isolated β-bridge | trans | -63.2 | 129.5 | 168 | 177.3 | 0 | 0 | 0 | 0 | 109.1 | T57 P60 L65 A75 G77 I78 H79 T80 L82 C140 P142 | T57-V257 HydrophobicContact CG2-CG1 4.05Å; P60-V257 HydrophobicContact CB-CG2 3.94Å; L65-V257 HydrophobicContact CD2-CG2 4.45Å; A75-V257 HydrophobicContact CB-CG2 4.36Å; G77-V257 PolarHBondContact O-N 2.98Å; I78-V257 HydrophobicContact CG1-CB 4.36Å; H79-V257 PolarHBondContact N-O 2.83Å; T80-V257 PolarHBondContact N-O 3.5Å; L82-V257 HydrophobicContact CD1-CG1 3.73Å; L82-V257 HydrophobicContact CD2-CG1 3.97Å; L82-V257 HydrophobicContact CG-CG1 3.68Å; C140-V257 VanDerWaalsContact O-CA 3.31Å; C140-V257 WeakPolarHBondContact O-CA 3.49Å; P142-V257 HydrophobicContact CG-CG2 3.97Å |
| 258 | S | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 8% | 0.083 | C | C | . | . | trans | -153.7 | 147.4 | -178.5 | -177.5 | 0 | 0 | 0 | 0 | 111.3 | L82 T138 C140 M256 D260 | L82-S258 WeakPolarHBondContact CD2-O 3.42Å; T138-S258 PolarHBondContact OG1-O 3.15Å; C140-S258 VanDerWaalsContact CB-O 3.29Å; C140-S258 WeakPolarHBondContact CB-O 3.39Å; C140-S258 PolarHBondContact O-N 3.46Å; M256-S258 PolarHBondContact O-N 2.88Å; S258-D260 VanDerWaalsContact C-N 3.27Å; S258-D260 PolarHBondContact OG-N 3.18Å | ||
| 259 | S | 98.6 | Very high | 98.1 | Very high | 6 Ų | 6 | 17.5 Ų | 17.5 | 4% | 0.042 | 8% | 0.083 | C | C | . | . | trans | -85.4 | 2 | 173.6 | 60.1 | 0 | 0 | 0 | 0 | 113.3 | T80 G263 | T80-S259 PolarHBondContact OG1-N 2.92Å; T80-S259 PolarHBondContact OG1-OG 3.49Å; S259-G263 WeakPolarHBondContact O-CA 3.42Å; S259-G263 PolarHBondContact O-N 2.94Å; S259-G263 WeakPolarHBondContact OG-CA 3.33Å | ||
| 260 | D | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | 54.1 | -153.9 | 177.8 | -155.1 | -84.8 | 0 | 0 | 0 | 112.9 | A247 V248 S249 M250 S258 G263 Y264 | A247-D260 WeakPolarHBondContact CA-OD1 3.27Å; A247-D260 HydrophobicContact CB-CB 3.93Å; V248-D260 PolarHBondContact N-OD1 2.97Å; S249-D260 WeakPolarHBondContact CB-OD1 3.5Å; S249-D260 PolarHBondContact N-OD1 2.92Å; S249-D260 PolarHBondContact N-OD2 3.31Å; M250-D260 WeakPolarHBondContact CB-OD2 3.24Å; M250-D260 VanDerWaalsContact CG-OD2 3.3Å; M250-D260 WeakPolarHBondContact CG-OD2 3.42Å; M250-D260 PolarHBondContact N-OD2 3.03Å; S258-D260 VanDerWaalsContact C-N 3.27Å; S258-D260 PolarHBondContact OG-N 3.18Å; D260-G263 PolarHBondContact O-N 3.45Å; D260-Y264 WeakPolarHBondContact O-CB 3.39Å; D260-Y264 PolarHBondContact O-N 2.98Å |
| 261 | N | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -68.9 | -40.4 | -169.4 | 56.4 | 29.1 | 0 | 0 | 0 | 113.3 | H246 A247 S249 Y264 A265 P298 T340 I343 G344 | H246-N261 PolarHBondContact O-ND2 2.84Å; A247-N261 WeakPolarHBondContact CA-OD1 3.45Å; A247-N261 WeakPolarHBondContact CB-OD1 3.24Å; S249-N261 PolarHBondContact OG-ND2 2.88Å; N261-Y264 PolarHBondContact O-N 2.66Å; N261-A265 PolarHBondContact O-N 3.24Å; N261-P298 WeakPolarHBondContact ND2-CB 3.42Å; N261-T340 HydrophobicContact CB-CG2 4.13Å; N261-T340 VanDerWaalsContact N-CG2 3.34Å; N261-I343 HydrophobicContact CB-CB 4.15Å; N261-I343 HydrophobicContact CB-CG2 3.86Å; N261-G344 WeakPolarHBondContact O-CA 3.16Å |
| 262 | M | 98.4 | Very high | 98 | Very high | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.005 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -67.3 | -39 | 175.8 | -64.3 | -60.9 | -85.4 | 0 | 0 | 111.3 | V245 A247 A265 S266 F288 S289 I347 | V245-M262 HydrophobicContact CG1-SD 4.06Å; A247-M262 HydrophobicContact CB-CG 4.25Å; M262-A265 PolarHBondContact O-N 3.22Å; M262-S266 PolarHBondContact O-N 3.18Å; M262-S266 PolarHBondContact O-OG 3.3Å; M262-F288 HydrophobicContact CB-CB 4.4Å; M262-F288 HydrophobicContact CE-CB 3.94Å; M262-S289 WeakPolarHBondContact CE-O 3.35Å; M262-I347 HydrophobicContact SD-CD1 3.98Å |
| 263 | G | 98.6 | Very high | 98.1 | Very high | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.01 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -68.2 | -39.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | S259 D260 A265 S266 Y267 | S259-G263 WeakPolarHBondContact O-CA 3.42Å; S259-G263 PolarHBondContact O-N 2.94Å; S259-G263 WeakPolarHBondContact OG-CA 3.33Å; D260-G263 PolarHBondContact O-N 3.45Å; G263-A265 VanDerWaalsContact C-N 3.33Å; G263-A265 PolarHBondContact O-N 3.49Å; G263-S266 WeakPolarHBondContact O-CB 3.14Å; G263-S266 PolarHBondContact O-N 3.26Å; G263-S266 VanDerWaalsContact O-N 3.16Å; G263-Y267 WeakPolarHBondContact O-CB 3.48Å; G263-Y267 PolarHBondContact O-N 3.06Å |
| 264 | Y | 98.8 | Very high | 98.2 | Very high | 15 Ų | 15 | 21.4 Ų | 21.4 | 6% | 0.059 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -64.7 | -37 | 174.3 | -173 | -117.4 | 0 | 0 | 0 | 112.3 | D260 N261 S266 Y267 L268 R341 H345 W659 | D260-Y264 WeakPolarHBondContact O-CB 3.39Å; D260-Y264 PolarHBondContact O-N 2.98Å; N261-Y264 PolarHBondContact O-N 2.66Å; Y264-S266 VanDerWaalsContact C-N 3.31Å; Y264-S266 PolarHBondContact O-N 3.16Å; Y264-Y267 AromaticContact CD2-CD1 3.95Å; Y264-Y267 HydrophobicContact CD2-CD1 3.95Å; Y264-Y267 AromaticContact CE2-CD1 3.81Å; Y264-Y267 HydrophobicContact CE2-CD1 3.81Å; Y264-Y267 HydrophobicContact CE2-CE1 4.13Å; Y264-Y267 WeakPolarHBondContact O-CB 3.37Å; Y264-Y267 PolarHBondContact O-N 3.29Å; Y264-L268 HydrophobicContact CD1-CD1 4.06Å; Y264-L268 HydrophobicContact CD1-CG 4.47Å; Y264-L268 HydrophobicContact CE1-CD1 3.53Å; Y264-L268 HydrophobicContact CE1-CD2 4.5Å; Y264-L268 HydrophobicContact CE1-CG 4.05Å; Y264-L268 HydrophobicContact CE2-CD2 4.22Å; Y264-L268 HydrophobicContact CE2-CG 4.17Å; Y264-L268 WeakPolarHBondContact O-CG 3.36Å; Y264-L268 PolarHBondContact O-N 2.97Å; Y264-R341 HydrophobicContact CD1-CG 4.37Å; Y264-R341 WeakPolarHBondContact CD1-O 3.41Å; Y264-R341 HydrophobicContact CE1-CB 4.04Å; Y264-R341 HydrophobicContact CE1-CG 3.44Å; Y264-R341 VanDerWaalsContact CE1-CG 3.44Å; Y264-R341 VanDerWaalsContact CE1-O 3.3Å; Y264-R341 WeakPolarHBondContact CE1-O 3.4Å; Y264-R341 WeakPolarHBondContact OH-CG 3.5Å; Y264-H345 HydrophobicContact CE1-CB 4.3Å; Y264-W659 HydrophobicContact CD2-CB 4.4Å; Y264-W659 AromaticContact CD2-CD2 3.36Å; Y264-W659 HydrophobicContact CD2-CD2 3.36Å; Y264-W659 AromaticContact CD2-CE2 3.9Å; Y264-W659 AromaticContact CD2-CE3 3.17Å; Y264-W659 HydrophobicContact CD2-CE3 3.17Å; Y264-W659 AromaticContact CD2-CG 3.93Å; Y264-W659 HydrophobicContact CD2-CG 3.93Å; Y264-W659 HydrophobicContact CD2-CH2 4.03Å; Y264-W659 HydrophobicContact CD2-CZ2 4.22Å; Y264-W659 AromaticContact CD2-CZ3 3.53Å; Y264-W659 HydrophobicContact CD2-CZ3 3.53Å; Y264-W659 HydrophobicContact CE2-CB 3.91Å; Y264-W659 AromaticContact CE2-CD1 3.88Å; Y264-W659 AromaticContact CE2-CD2 3.33Å; Y264-W659 HydrophobicContact CE2-CD2 3.33Å; Y264-W659 AromaticContact CE2-CE2 3.75Å; Y264-W659 AromaticContact CE2-CE3 3.69Å; Y264-W659 HydrophobicContact CE2-CE3 3.69Å; Y264-W659 AromaticContact CE2-CG 3.43Å; Y264-W659 HydrophobicContact CE2-CG 3.43Å; Y264-W659 VanDerWaalsContact CE2-CG 3.43Å; Y264-W659 HydrophobicContact CE2-CZ2 4.41Å; Y264-W659 HydrophobicContact CE2-CZ3 4.34Å; Y264-W659 HydrophobicContact CG-CD2 4.3Å; Y264-W659 AromaticContact CG-CE3 3.96Å; Y264-W659 HydrophobicContact CG-CE3 3.96Å; Y264-W659 HydrophobicContact CG-CH2 4.05Å; Y264-W659 HydrophobicContact CG-CZ2 4.41Å; Y264-W659 AromaticContact CG-CZ3 3.83Å; Y264-W659 HydrophobicContact CG-CZ3 3.83Å |
| 265 | A | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62.7 | -40 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112 | N261 M262 G263 L269 F288 G344 I347 | N261-A265 PolarHBondContact O-N 3.24Å; M262-A265 PolarHBondContact O-N 3.22Å; G263-A265 VanDerWaalsContact C-N 3.33Å; G263-A265 PolarHBondContact O-N 3.49Å; A265-L269 PolarHBondContact O-N 3.38Å; A265-F288 VanDerWaalsContact C-CE2 3.47Å; A265-F288 HydrophobicContact CB-CD1 3.82Å; A265-F288 HydrophobicContact CB-CD2 4.18Å; A265-F288 HydrophobicContact CB-CE1 3.76Å; A265-F288 HydrophobicContact CB-CE2 4.09Å; A265-F288 HydrophobicContact CB-CG 4.02Å; A265-F288 HydrophobicContact CB-CZ 3.87Å; A265-F288 VanDerWaalsContact O-CE2 3.31Å; A265-F288 WeakPolarHBondContact O-CE2 3.3Å; A265-G344 WeakPolarHBondContact CB-O 3.4Å; A265-I347 HydrophobicContact CB-CB 4.06Å; A265-I347 HydrophobicContact CB-CG2 3.8Å |
| 266 | S | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63 | -48.7 | 174.7 | -52.5 | 0 | 0 | 0 | 0 | 111.4 | M262 G263 Y264 L268 L269 E270 A286 F288 | M262-S266 PolarHBondContact O-N 3.18Å; M262-S266 PolarHBondContact O-OG 3.3Å; G263-S266 WeakPolarHBondContact O-CB 3.14Å; G263-S266 PolarHBondContact O-N 3.26Å; G263-S266 VanDerWaalsContact O-N 3.16Å; Y264-S266 VanDerWaalsContact C-N 3.31Å; Y264-S266 PolarHBondContact O-N 3.16Å; S266-L268 PolarHBondContact O-N 2.46Å; S266-L269 PolarHBondContact O-N 2.94Å; S266-E270 WeakPolarHBondContact O-CG 2.95Å; S266-E270 PolarHBondContact O-N 3.43Å; S266-A286 WeakPolarHBondContact CB-O 3.37Å; S266-A286 PolarHBondContact OG-O 2.98Å; S266-F288 VanDerWaalsContact OG-CD2 3.25Å; S266-F288 WeakPolarHBondContact OG-CD2 3.48Å |
| 267 | Y | 98.7 | Very high | 97.8 | Very high | 24 Ų | 24 | 29.1 Ų | 29.1 | 9% | 0.094 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -51.5 | -54 | 176 | 170.5 | -92.8 | 0 | 0 | 0 | 111.5 | G263 Y264 L269 E270 E271 P279 W659 E660 | G263-Y267 WeakPolarHBondContact O-CB 3.48Å; G263-Y267 PolarHBondContact O-N 3.06Å; Y264-Y267 AromaticContact CD2-CD1 3.95Å; Y264-Y267 HydrophobicContact CD2-CD1 3.95Å; Y264-Y267 AromaticContact CE2-CD1 3.81Å; Y264-Y267 HydrophobicContact CE2-CD1 3.81Å; Y264-Y267 HydrophobicContact CE2-CE1 4.13Å; Y264-Y267 WeakPolarHBondContact O-CB 3.37Å; Y264-Y267 PolarHBondContact O-N 3.29Å; Y267-L269 VanDerWaalsContact C-N 3.33Å; Y267-L269 PolarHBondContact O-N 3.48Å; Y267-E270 PolarHBondContact O-N 2.78Å; Y267-E271 HydrophobicContact CD1-CG 4.33Å; Y267-E271 HydrophobicContact CD2-CG 4.39Å; Y267-E271 HydrophobicContact CE1-CG 4.06Å; Y267-E271 HydrophobicContact CE2-CG 4.16Å; Y267-E271 HydrophobicContact CG-CG 4.48Å; Y267-E271 WeakPolarHBondContact O-CB 3.25Å; Y267-E271 VanDerWaalsContact O-CG 3.32Å; Y267-E271 WeakPolarHBondContact O-CG 3.46Å; Y267-E271 PolarHBondContact O-N 2.85Å; Y267-P279 HydrophobicContact CD2-CB 4.16Å; Y267-P279 HydrophobicContact CD2-CG 4.47Å; Y267-P279 HydrophobicContact CE2-CB 3.61Å; Y267-P279 HydrophobicContact CE2-CG 3.52Å; Y267-W659 HydrophobicContact CE1-CB 3.94Å; Y267-W659 PolarHBondContact OH-N 3.43Å; Y267-E660 PolarHBondContact OH-OE2 3.34Å |
| 268 | L | 98.7 | Very high | 97.8 | Very high | 24 Ų | 24 | 30.7 Ų | 30.7 | 13% | 0.126 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.2 | -38.6 | -177.9 | -72 | 179 | 0 | 0 | 0 | 113 | Y264 S266 D272 H345 Y348 | Y264-L268 HydrophobicContact CD1-CD1 4.06Å; Y264-L268 HydrophobicContact CD1-CG 4.47Å; Y264-L268 HydrophobicContact CE1-CD1 3.53Å; Y264-L268 HydrophobicContact CE1-CD2 4.5Å; Y264-L268 HydrophobicContact CE1-CG 4.05Å; Y264-L268 HydrophobicContact CE2-CD2 4.22Å; Y264-L268 HydrophobicContact CE2-CG 4.17Å; Y264-L268 WeakPolarHBondContact O-CG 3.36Å; Y264-L268 PolarHBondContact O-N 2.97Å; S266-L268 PolarHBondContact O-N 2.46Å; L268-D272 VanDerWaalsContact O-CB 3.26Å; L268-D272 WeakPolarHBondContact O-CB 3.43Å; L268-D272 PolarHBondContact O-N 2.91Å; L268-H345 HydrophobicContact CD1-CB 4.12Å; L268-H345 WeakPolarHBondContact CD1-ND1 3.34Å; L268-Y348 HydrophobicContact CB-CD1 4.06Å; L268-Y348 HydrophobicContact CB-CD2 3.53Å; L268-Y348 HydrophobicContact CB-CE1 4.4Å; L268-Y348 HydrophobicContact CB-CE2 3.89Å; L268-Y348 HydrophobicContact CB-CG 3.63Å; L268-Y348 HydrophobicContact CD1-CD1 3.7Å; L268-Y348 HydrophobicContact CD1-CE1 4.31Å; L268-Y348 HydrophobicContact CD1-CG 3.88Å; L268-Y348 HydrophobicContact CG-CG 4.44Å |
| 269 | L | 98.6 | Very high | 97.7 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -74.2 | -33.7 | 179.4 | -168.2 | 60.8 | 0 | 0 | 0 | 112.6 | M239 A265 S266 Y267 K273 F284 A286 F288 Y348 K352 | M239-L269 HydrophobicContact CB-CD2 4.28Å; M239-L269 HydrophobicContact CE-CD2 3.14Å; M239-L269 HydrophobicContact SD-CD2 3.47Å; M239-L269 WeakPolarHBondContact SD-CD2 3.47Å; A265-L269 PolarHBondContact O-N 3.38Å; S266-L269 PolarHBondContact O-N 2.94Å; Y267-L269 VanDerWaalsContact C-N 3.33Å; Y267-L269 PolarHBondContact O-N 3.48Å; L269-K273 HydrophobicContact CD1-CG 4.35Å; L269-K273 WeakPolarHBondContact O-CB 3.37Å; L269-K273 WeakPolarHBondContact O-CG 3.2Å; L269-K273 PolarHBondContact O-N 3.35Å; L269-F284 HydrophobicContact CD2-CE1 4.21Å; L269-F284 HydrophobicContact CG-CE1 4.05Å; L269-A286 HydrophobicContact CB-CB 3.81Å; L269-A286 HydrophobicContact CD2-CB 3.79Å; L269-A286 HydrophobicContact CG-CB 4.01Å; L269-F288 HydrophobicContact CB-CE2 4.27Å; L269-F288 HydrophobicContact CD2-CE2 4.28Å; L269-F288 HydrophobicContact CD2-CZ 4.4Å; L269-Y348 HydrophobicContact CB-CD2 3.95Å; L269-Y348 HydrophobicContact CB-CE2 4.3Å; L269-Y348 HydrophobicContact CD1-CD2 4.32Å; L269-Y348 HydrophobicContact CD1-CE2 4.08Å; L269-K352 HydrophobicContact CD1-CB 4.3Å |
| 270 | E | 98.6 | Very high | 97.6 | Very high | 9 Ų | 9 | 32 Ų | 32 | 4% | 0.042 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -68.8 | -45.8 | 175.1 | -71 | 177.9 | 148.8 | 0 | 0 | 111 | R53 R85 S266 Y267 D272 K273 N274 A286 | R53-E270 WeakPolarHBondContact CD-OE1 3.34Å; R53-E270 IonicContact CZ-OE1 2.9Å; R53-E270 IonicContact NH1-OE1 2.83Å; R53-E270 PolarHBondContact NH1-OE1 3.37Å; R53-E270 IonicContact NH1-OE2 3.43Å; R85-E270 IonicContact CZ-OE1 3.09Å; R85-E270 IonicContact CZ-OE2 3.57Å; R85-E270 IonicContact NE-OE1 3.25Å; R85-E270 PolarHBondContact NE-OE1 3.4Å; R85-E270 IonicContact NE-OE2 3.38Å; R85-E270 PolarHBondContact NE-OE2 3.2Å; R85-E270 IonicContact NH2-OE1 3.44Å; R85-E270 IonicContact NH2-OE2 2.8Å; R85-E270 PolarHBondContact NH2-OE2 2.72Å; S266-E270 WeakPolarHBondContact O-CG 2.95Å; S266-E270 PolarHBondContact O-N 3.43Å; Y267-E270 PolarHBondContact O-N 2.78Å; E270-D272 VanDerWaalsContact C-N 3.34Å; E270-D272 PolarHBondContact O-N 2.97Å; E270-K273 PolarHBondContact O-N 3.24Å; E270-N274 VanDerWaalsContact O-CB 3.24Å; E270-N274 WeakPolarHBondContact O-CB 3.36Å; E270-N274 PolarHBondContact O-N 3.45Å; E270-N274 PolarHBondContact O-ND2 3.04Å; E270-N274 VanDerWaalsContact O-ND2 3.07Å; E270-A286 HydrophobicContact CG-CB 3.73Å; E270-A286 PolarHBondContact OE1-N 3.49Å; E270-A286 VanDerWaalsContact OE1-N 3.09Å |
| 271 | E | 96.6 | Very high | 97.4 | Very high | 65 Ų | 65 | 36.7 Ų | 36.7 | 30% | 0.304 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -55.6 | -47.9 | 173.2 | -75.5 | -72.3 | 111.9 | 0 | 0 | 111.6 | Y267 K273 N274 P279 | Y267-E271 HydrophobicContact CD1-CG 4.33Å; Y267-E271 HydrophobicContact CD2-CG 4.39Å; Y267-E271 HydrophobicContact CE1-CG 4.06Å; Y267-E271 HydrophobicContact CE2-CG 4.16Å; Y267-E271 HydrophobicContact CG-CG 4.48Å; Y267-E271 WeakPolarHBondContact O-CB 3.25Å; Y267-E271 VanDerWaalsContact O-CG 3.32Å; Y267-E271 WeakPolarHBondContact O-CG 3.46Å; Y267-E271 PolarHBondContact O-N 2.85Å; E271-K273 PolarHBondContact O-N 3.25Å; E271-N274 CarbonylContact O-C 3.59Å; E271-N274 PolarHBondContact O-N 2.98Å; E271-P279 WeakPolarHBondContact OE1-CD 3.4Å; E271-P279 WeakPolarHBondContact OE1-CG 3.41Å |
| 272 | D | 96.2 | Very high | 97.3 | Very high | 71 Ų | 71 | 37.8 Ų | 37.8 | 38% | 0.38 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -58.5 | -33.7 | 178.1 | -97.5 | 22.8 | 0 | 0 | 0 | 114.6 | L268 E270 Y348 K352 | L268-D272 VanDerWaalsContact O-CB 3.26Å; L268-D272 WeakPolarHBondContact O-CB 3.43Å; L268-D272 PolarHBondContact O-N 2.91Å; E270-D272 VanDerWaalsContact C-N 3.34Å; E270-D272 PolarHBondContact O-N 2.97Å; D272-Y348 PolarHBondContact OD1-OH 3.25Å; D272-Y348 WeakPolarHBondContact OD2-CE2 3.35Å; D272-Y348 VanDerWaalsContact OD2-CZ 3.28Å; D272-Y348 PolarHBondContact OD2-OH 3.26Å; D272-K352 WeakPolarHBondContact OD2-CD 3.49Å; D272-K352 WeakPolarHBondContact OD2-CE 3.47Å; D272-K352 IonicContact OD2-NZ 3.33Å; D272-K352 PolarHBondContact OD2-NZ 2.75Å |
| 273 | K | 96.8 | Very high | 97.2 | Very high | 93 Ų | 93 | 42.8 Ų | 42.8 | 40% | 0.404 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -101.4 | -12.2 | -172.9 | -71.9 | -67.4 | -172.5 | -177.9 | 0 | 113.4 | L269 E270 E271 P275 F284 | L269-K273 HydrophobicContact CD1-CG 4.35Å; L269-K273 WeakPolarHBondContact O-CB 3.37Å; L269-K273 WeakPolarHBondContact O-CG 3.2Å; L269-K273 PolarHBondContact O-N 3.35Å; E270-K273 PolarHBondContact O-N 3.24Å; E271-K273 PolarHBondContact O-N 3.25Å; K273-P275 WeakPolarHBondContact O-CD 3.25Å; K273-F284 HydrophobicContact CB-CB 3.72Å; K273-F284 HydrophobicContact CB-CD1 3.48Å; K273-F284 VanDerWaalsContact CB-CD1 3.48Å; K273-F284 HydrophobicContact CB-CD2 3.92Å; K273-F284 HydrophobicContact CB-CE1 4.02Å; K273-F284 HydrophobicContact CB-CE2 4.4Å; K273-F284 HydrophobicContact CB-CG 3.42Å; K273-F284 VanDerWaalsContact CB-CG 3.42Å; K273-F284 HydrophobicContact CB-CZ 4.45Å; K273-F284 HydrophobicContact CD-CD2 4.48Å; K273-F284 HydrophobicContact CD-CE2 4.39Å; K273-F284 HydrophobicContact CG-CD1 3.82Å; K273-F284 HydrophobicContact CG-CD2 4.12Å; K273-F284 HydrophobicContact CG-CE1 3.81Å; K273-F284 HydrophobicContact CG-CE2 4.1Å; K273-F284 HydrophobicContact CG-CG 3.98Å; K273-F284 HydrophobicContact CG-CZ 3.95Å |
| 274 | N | 97.1 | Very high | 97.2 | Very high | 11 Ų | 11 | 43 Ų | 43 | 6% | 0.059 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -119.6 | 62.3 | 176.3 | -60.9 | -50.7 | 0 | 0 | 0 | 109.9 | E270 E271 G276 E277 S283 F284 | E270-N274 VanDerWaalsContact O-CB 3.24Å; E270-N274 WeakPolarHBondContact O-CB 3.36Å; E270-N274 PolarHBondContact O-N 3.45Å; E270-N274 PolarHBondContact O-ND2 3.04Å; E270-N274 VanDerWaalsContact O-ND2 3.07Å; E271-N274 CarbonylContact O-C 3.59Å; E271-N274 PolarHBondContact O-N 2.98Å; N274-G276 PolarHBondContact O-N 2.78Å; N274-E277 HydrophobicContact CB-CB 4Å; N274-E277 HydrophobicContact CB-CG 4.01Å; N274-E277 WeakPolarHBondContact O-CB 3.31Å; N274-E277 PolarHBondContact O-N 3.12Å; N274-E277 VanDerWaalsContact O-N 3.16Å; N274-S283 PolarHBondContact OD1-N 3.15Å; N274-F284 PolarHBondContact ND2-O 3.16Å; N274-F284 VanDerWaalsContact OD1-CB 3.24Å; N274-F284 WeakPolarHBondContact OD1-CB 3.4Å; N274-F284 PolarHBondContact OD1-N 2.7Å |
| 275 | P | 95.3 | Very high | 97.2 | Very high | 111 Ų | 111 | 42.4 Ų | 42.4 | 72% | 0.721 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | 129.1 | -175.5 | 27.4 | -35.6 | 0 | 0 | 0 | 111.2 | K273 E277 | K273-P275 WeakPolarHBondContact O-CD 3.25Å; P275-E277 VanDerWaalsContact C-N 3.32Å |
| 276 | G | 93.5 | Very high | 97.2 | Very high | 90 Ų | 90 | 42.4 Ų | 42.4 | 93% | 0.928 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87 | -4.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | N274 | N274-G276 PolarHBondContact O-N 2.78Š|
| 277 | E | 97.1 | Very high | 97.1 | Very high | 89 Ų | 89 | 42.4 Ų | 42.4 | 42% | 0.416 | 26% | 0.26 | S | S | . | . | P | Polyproline II helix | trans | -87.3 | 151.2 | 172 | -61.6 | -71.4 | 153.1 | 0 | 0 | 110.2 | N274 P275 Q281 G282 | N274-E277 HydrophobicContact CB-CB 4Å; N274-E277 HydrophobicContact CB-CG 4.01Å; N274-E277 WeakPolarHBondContact O-CB 3.31Å; N274-E277 PolarHBondContact O-N 3.12Å; N274-E277 VanDerWaalsContact O-N 3.16Å; P275-E277 VanDerWaalsContact C-N 3.32Å; E277-Q281 HydrophobicContact CB-CB 4.24Å; E277-G282 PolarHBondContact OE2-N 2.89Å |
| 278 | L | 97.3 | Very high | 97.1 | Very high | 34 Ų | 34 | 41.3 Ų | 41.3 | 18% | 0.178 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -75.7 | 154.4 | 172.3 | -73.3 | 170.2 | 0 | 0 | 0 | 111.1 | G280 Q281 V652 | L278-G280 PolarHBondContact O-N 3.12Å; L278-Q281 HydrophobicContact CB-CG 4.33Å; L278-Q281 WeakPolarHBondContact O-CA 3.14Å; L278-Q281 VanDerWaalsContact O-CB 3.23Å; L278-Q281 WeakPolarHBondContact O-CB 3.38Å; L278-Q281 PolarHBondContact O-N 3.41Å; L278-V652 HydrophobicContact CD1-CB 4.1Å; L278-V652 HydrophobicContact CD1-CG1 3.69Å; L278-V652 HydrophobicContact CD2-CG1 4.15Å |
| 279 | P | 97 | Very high | 97.1 | Very high | 8 Ų | 8 | 40.1 Ų | 40.1 | 5% | 0.052 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.5 | 129.2 | 171.8 | -33.6 | 38.4 | 0 | 0 | 0 | 113.2 | Y267 E271 N655 A657 S658 | Y267-P279 HydrophobicContact CD2-CB 4.16Å; Y267-P279 HydrophobicContact CD2-CG 4.47Å; Y267-P279 HydrophobicContact CE2-CB 3.61Å; Y267-P279 HydrophobicContact CE2-CG 3.52Å; E271-P279 WeakPolarHBondContact OE1-CD 3.4Å; E271-P279 WeakPolarHBondContact OE1-CG 3.41Å; P279-N655 PolarHBondContact O-ND2 2.79Å; P279-N655 VanDerWaalsContact O-ND2 3.12Å; P279-A657 HydrophobicContact CB-CB 3.96Å; P279-S658 WeakPolarHBondContact CG-OG 3.37Å |
| 280 | G | 96.2 | Very high | 97 | Very high | 26 Ų | 26 | 40.1 Ų | 40.1 | 27% | 0.268 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 90.7 | -9.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | R53 Y83 L278 | R53-G280 PolarHBondContact NE-O 3.21Å; R53-G280 VanDerWaalsContact NH2-C 3.28Å; R53-G280 PolarHBondContact NH2-O 2.77Å; Y83-G280 VanDerWaalsContact OH-CA 3.3Å; Y83-G280 WeakPolarHBondContact OH-CA 3.49Å; L278-G280 PolarHBondContact O-N 3.12Å |
| 281 | Q | 96.3 | Very high | 97 | Very high | 97 Ų | 97 | 40 Ų | 40 | 45% | 0.453 | 25% | 0.25 | S | C | . | . | trans | -107.1 | -178.4 | 178.1 | -51.9 | -176.6 | 14.4 | 0 | 0 | 112 | R53 E277 L278 | R53-Q281 PolarHBondContact NH2-O 3.34Å; E277-Q281 HydrophobicContact CB-CB 4.24Å; L278-Q281 HydrophobicContact CB-CG 4.33Å; L278-Q281 WeakPolarHBondContact O-CA 3.14Å; L278-Q281 VanDerWaalsContact O-CB 3.23Å; L278-Q281 WeakPolarHBondContact O-CB 3.38Å; L278-Q281 PolarHBondContact O-N 3.41Å | ||
| 282 | G | 96.3 | Very high | 97.1 | Very high | 24 Ų | 24 | 37 Ų | 37 | 25% | 0.247 | 24% | 0.235 | C | C | . | . | S | Bend | trans | 81 | 158.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | R53 E277 | R53-G282 PolarHBondContact NH2-O 2.78Å; E277-G282 PolarHBondContact OE2-N 2.89Å |
| 283 | S | 95.8 | Very high | 97.3 | Very high | 105 Ų | 105 | 33.6 Ų | 33.6 | 73% | 0.734 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -84.2 | -25.2 | -170.9 | 54.2 | 0 | 0 | 0 | 0 | 114.8 | N274 | N274-S283 PolarHBondContact OD1-N 3.15Š|
| 284 | F | 98.1 | Very high | 97.3 | Very high | 5 Ų | 5 | 29.1 Ų | 29.1 | 2% | 0.022 | 20% | 0.198 | C | C | . | . | trans | -73.2 | 135.7 | 176.9 | -171.9 | -88.8 | 0 | 0 | 0 | 110.4 | R53 G236 I237 G238 M239 L269 K273 N274 A286 Y355 | R53-F284 PolarHBondContact NH1-O 3.09Å; G236-F284 WeakPolarHBondContact O-CD2 3.32Å; I237-F284 WeakPolarHBondContact O-CA 3.47Å; G238-F284 VanDerWaalsContact CA-CE2 3.49Å; M239-F284 HydrophobicContact CB-CZ 4.11Å; L269-F284 HydrophobicContact CD2-CE1 4.21Å; L269-F284 HydrophobicContact CG-CE1 4.05Å; K273-F284 HydrophobicContact CB-CB 3.72Å; K273-F284 HydrophobicContact CB-CD1 3.48Å; K273-F284 VanDerWaalsContact CB-CD1 3.48Å; K273-F284 HydrophobicContact CB-CD2 3.92Å; K273-F284 HydrophobicContact CB-CE1 4.02Å; K273-F284 HydrophobicContact CB-CE2 4.4Å; K273-F284 HydrophobicContact CB-CG 3.42Å; K273-F284 VanDerWaalsContact CB-CG 3.42Å; K273-F284 HydrophobicContact CB-CZ 4.45Å; K273-F284 HydrophobicContact CD-CD2 4.48Å; K273-F284 HydrophobicContact CD-CE2 4.39Å; K273-F284 HydrophobicContact CG-CD1 3.82Å; K273-F284 HydrophobicContact CG-CD2 4.12Å; K273-F284 HydrophobicContact CG-CE1 3.81Å; K273-F284 HydrophobicContact CG-CE2 4.1Å; K273-F284 HydrophobicContact CG-CG 3.98Å; K273-F284 HydrophobicContact CG-CZ 3.95Å; N274-F284 PolarHBondContact ND2-O 3.16Å; N274-F284 VanDerWaalsContact OD1-CB 3.24Å; N274-F284 WeakPolarHBondContact OD1-CB 3.4Å; N274-F284 PolarHBondContact OD1-N 2.7Å; F284-A286 HydrophobicContact CE1-CB 4.03Å; F284-Y355 HydrophobicContact CE2-CE2 4.29Å; F284-Y355 HydrophobicContact CZ-CE2 4.06Å | ||
| 285 | V | 98.8 | Very high | 97.4 | Very high | 4 Ų | 4 | 28.8 Ų | 28.8 | 2% | 0.024 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 124.9 | 179.6 | -177 | 0 | 0 | 0 | 0 | 110.7 | V51 R53 R85 F87 I237 G238 M239 | V51-V285 HydrophobicContact CB-CB 4.15Å; V51-V285 HydrophobicContact CB-CG2 4.08Å; V51-V285 HydrophobicContact CG2-CB 4.49Å; V51-V285 HydrophobicContact CG2-CG2 4.12Å; R53-V285 HydrophobicContact CB-CG1 4.29Å; R53-V285 HydrophobicContact CB-CG2 4.1Å; R85-V285 HydrophobicContact CB-CG1 3.74Å; R85-V285 HydrophobicContact CG-CG1 3.79Å; F87-V285 HydrophobicContact CE1-CG1 4.43Å; F87-V285 HydrophobicContact CZ-CG1 3.93Å; I237-V285 PolarHBondContact O-N 2.74Å; G238-V285 CarbonylContact C-O 3.57Å; G238-V285 WeakPolarHBondContact CA-O 3.48Å; M239-V285 PolarHBondContact N-O 3.22Å |
| 286 | A | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 104.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | R85 S266 L269 E270 F284 F288 | R85-A286 WeakPolarHBondContact CD-O 3.16Å; R85-A286 PolarHBondContact NE-O 2.81Å; R85-A286 VanDerWaalsContact NE-O 3.12Å; S266-A286 WeakPolarHBondContact CB-O 3.37Å; S266-A286 PolarHBondContact OG-O 2.98Å; L269-A286 HydrophobicContact CB-CB 3.81Å; L269-A286 HydrophobicContact CD2-CB 3.79Å; L269-A286 HydrophobicContact CG-CB 4.01Å; E270-A286 HydrophobicContact CG-CB 3.73Å; E270-A286 PolarHBondContact OE1-N 3.49Å; E270-A286 VanDerWaalsContact OE1-N 3.09Å; F284-A286 HydrophobicContact CE1-CB 4.03Å; A286-F288 HydrophobicContact CB-CE2 4.21Å |
| 287 | G | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 117.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | M239 I240 S241 | M239-G287 PolarHBondContact O-N 2.87Å; I240-G287 CarbonylContact C-O 3.56Å; I240-G287 VanDerWaalsContact CA-O 3.26Å; I240-G287 WeakPolarHBondContact CA-O 3.1Å; S241-G287 PolarHBondContact N-O 2.91Å |
| 288 | F | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 107.6 | 168.7 | -73.9 | -103.9 | 0 | 0 | 0 | 109.5 | T136 M239 M262 A265 S266 L269 A286 I347 A351 | T136-F288 WeakPolarHBondContact CG2-O 3.46Å; M239-F288 HydrophobicContact CE-CD2 4.34Å; M239-F288 HydrophobicContact CE-CE1 4.19Å; M239-F288 HydrophobicContact CE-CE2 3.64Å; M239-F288 HydrophobicContact CE-CZ 3.56Å; M262-F288 HydrophobicContact CB-CB 4.4Å; M262-F288 HydrophobicContact CE-CB 3.94Å; A265-F288 VanDerWaalsContact C-CE2 3.47Å; A265-F288 HydrophobicContact CB-CD1 3.82Å; A265-F288 HydrophobicContact CB-CD2 4.18Å; A265-F288 HydrophobicContact CB-CE1 3.76Å; A265-F288 HydrophobicContact CB-CE2 4.09Å; A265-F288 HydrophobicContact CB-CG 4.02Å; A265-F288 HydrophobicContact CB-CZ 3.87Å; A265-F288 VanDerWaalsContact O-CE2 3.31Å; A265-F288 WeakPolarHBondContact O-CE2 3.3Å; S266-F288 VanDerWaalsContact OG-CD2 3.25Å; S266-F288 WeakPolarHBondContact OG-CD2 3.48Å; L269-F288 HydrophobicContact CB-CE2 4.27Å; L269-F288 HydrophobicContact CD2-CE2 4.28Å; L269-F288 HydrophobicContact CD2-CZ 4.4Å; A286-F288 HydrophobicContact CB-CE2 4.21Å; F288-I347 HydrophobicContact CD1-CG2 3.55Å; F288-I347 HydrophobicContact CE1-CG2 3.55Å; F288-A351 HydrophobicContact CE1-CB 3.48Å; F288-A351 VanDerWaalsContact CE1-CB 3.48Å; F288-A351 HydrophobicContact CZ-CB 3.62Å |
| 289 | S | 97.9 | Very high | 98 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 147.7 | -174.7 | -176.4 | 0 | 0 | 0 | 0 | 112.2 | S241 W242 M262 | S241-S289 PolarHBondContact O-N 3.43Å; W242-S289 PolarHBondContact NE1-OG 3.48Å; M262-S289 WeakPolarHBondContact CE-O 3.35Å |
| 290 | S | 96.9 | Very high | 98 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 153.3 | 166.6 | 60 | 0 | 0 | 0 | 0 | 111.7 | G135 L293 G515 L516 | G135-S290 WeakPolarHBondContact O-CB 3.5Å; G135-S290 PolarHBondContact O-OG 3.31Å; S290-L293 VanDerWaalsContact CB-CD2 3.48Å; S290-G515 PolarHBondContact O-N 2.92Å; S290-G515 PolarHBondContact OG-O 3.16Å; S290-G515 VanDerWaalsContact OG-O 3.1Å; S290-L516 WeakPolarHBondContact OG-CD1 3.32Å |
| 291 | S | 98.7 | Very high | 98 | Very high | 8 Ų | 8 | 20.4 Ų | 20.4 | 6% | 0.056 | 11% | 0.111 | C | C | . | . | trans | -125.6 | -141.6 | 174.2 | -172 | 0 | 0 | 0 | 0 | 109.8 | L293 I513 | S291-L293 VanDerWaalsContact C-N 3.29Å; S291-L293 PolarHBondContact O-N 3.44Å; S291-L293 VanDerWaalsContact O-N 3.09Å; S291-I513 WeakPolarHBondContact CA-O 3.49Å; S291-I513 PolarHBondContact OG-O 3.24Å | ||
| 292 | N | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 10% | 0.095 | C | C | . | . | S | Bend | trans | -84 | 68.9 | 173.7 | 60.7 | -58.6 | 0 | 0 | 0 | 112 | D221 M484 T485 T486 R493 I513 | D221-N292 PolarHBondContact OD2-ND2 2.82Å; D221-N292 PolarHBondContact OD2-OD1 2.79Å; N292-M484 CarbonylContact C-O 3.59Å; N292-M484 VanDerWaalsContact CA-O 3.3Å; N292-M484 WeakPolarHBondContact CA-O 3.15Å; N292-M484 HydrophobicContact CB-CB 3.88Å; N292-T485 PolarHBondContact ND2-O 3.43Å; N292-T486 WeakPolarHBondContact ND2-CA 3.42Å; N292-T486 PolarHBondContact ND2-O 2.64Å; N292-T486 VanDerWaalsContact ND2-O 3.1Å; N292-R493 PolarHBondContact OD1-NH1 2.62Å; N292-I513 HydrophobicContact CB-CG2 4.38Å |
| 293 | L | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 10% | 0.098 | C | C | . | . | trans | -86.5 | -0.1 | -172.4 | 54.9 | 74.7 | 0 | 0 | 0 | 115.2 | H137 V245 H246 S290 S291 D295 V296 E483 M484 L516 | H137-L293 HydrophobicContact CB-CD2 4.08Å; V245-L293 WeakPolarHBondContact O-CD2 3.37Å; H246-L293 WeakPolarHBondContact CE1-CD1 3.21Å; H246-L293 PolarHBondContact CE1-O 2.92Å; H246-L293 PolarHBondContact ND1-O 2.92Å; S290-L293 VanDerWaalsContact CB-CD2 3.48Å; S291-L293 VanDerWaalsContact C-N 3.29Å; S291-L293 PolarHBondContact O-N 3.44Å; S291-L293 VanDerWaalsContact O-N 3.09Å; L293-D295 VanDerWaalsContact C-N 3.26Å; L293-D295 PolarHBondContact O-N 3.02Å; L293-V296 PolarHBondContact O-N 2.65Å; L293-E483 HydrophobicContact CD1-CG 4.08Å; L293-M484 PolarHBondContact N-O 3.34Å; L293-L516 HydrophobicContact CD1-CD1 4.21Å; L293-L516 HydrophobicContact CD2-CD1 4.08Å; L293-L516 HydrophobicContact CG-CD1 4.29Å | ||
| 294 | G | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -30 | -162.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | R200 M484 Y523 E536 | R200-G294 PolarHBondContact NE-O 2.96Å; R200-G294 PolarHBondContact NH2-O 3.39Å; G294-M484 WeakPolarHBondContact CA-O 3.28Å; G294-M484 PolarHBondContact N-O 3.24Å; G294-Y523 WeakPolarHBondContact O-CE1 3.45Å; G294-E536 VanDerWaalsContact O-CG 3.28Å; G294-E536 WeakPolarHBondContact O-CG 3.43Å |
| 295 | D | 98.8 | Very high | 98 | Very high | 3 Ų | 3 | 16.2 Ų | 16.2 | 2% | 0.016 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.4 | 22.8 | 176.4 | 63 | -20.4 | 0 | 0 | 0 | 112.9 | N199 R200 L293 T485 T486 | N199-D295 CarbonylContact C-O 3.58Å; N199-D295 VanDerWaalsContact CA-O 3.25Å; N199-D295 WeakPolarHBondContact CA-O 3.35Å; N199-D295 PolarHBondContact ND2-OD2 2.58Å; N199-D295 PolarHBondContact OD1-O 3.01Å; R200-D295 PolarHBondContact N-O 2.85Å; L293-D295 VanDerWaalsContact C-N 3.26Å; L293-D295 PolarHBondContact O-N 3.02Å; D295-T485 HydrophobicContact CB-CG2 4.08Å; D295-T485 WeakPolarHBondContact OD1-CA 3.32Å; D295-T486 WeakPolarHBondContact OD1-CB 3.31Å; D295-T486 PolarHBondContact OD1-N 3.24Å; D295-T486 PolarHBondContact OD1-OG1 3.41Å |
| 296 | V | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 108.2 | -169.5 | -167.1 | 0 | 0 | 0 | 0 | 112.6 | L198 T220 A244 H246 L293 T486 | L198-V296 CarbonylContact O-C 3.45Å; L198-V296 WeakPolarHBondContact O-CA 3.48Å; T220-V296 HydrophobicContact CG2-CG1 3.83Å; T220-V296 HydrophobicContact CG2-CG2 4.15Å; A244-V296 WeakPolarHBondContact O-CG1 3.41Å; H246-V296 WeakPolarHBondContact CB-O 3.17Å; H246-V296 PolarHBondContact N-O 3.34Å; H246-V296 PolarHBondContact ND1-O 2.79Å; L293-V296 PolarHBondContact O-N 2.65Å; V296-T486 WeakPolarHBondContact CG2-OG1 3.38Å |
| 297 | T | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 145.3 | 179.6 | 177.3 | 0 | 0 | 0 | 0 | 112.9 | S197 L198 R200 N299 I404 D405 | S197-T297 CarbonylContact C-O 3.09Å; S197-T297 WeakPolarHBondContact CA-O 3.3Å; L198-T297 HydrophobicContact CB-CG2 3.91Å; L198-T297 HydrophobicContact CD2-CG2 4.15Å; L198-T297 PolarHBondContact N-O 3.06Å; L198-T297 WeakPolarHBondContact O-CG2 3.36Å; L198-T297 PolarHBondContact O-N 3.42Å; R200-T297 HydrophobicContact CB-CG2 3.93Å; T297-N299 VanDerWaalsContact OG1-CB 3.3Å; T297-N299 WeakPolarHBondContact OG1-CB 3.33Å; T297-N299 PolarHBondContact OG1-N 3.38Å; T297-N299 PolarHBondContact OG1-ND2 2.88Å; T297-I404 HydrophobicContact CG2-CD1 4.43Å; T297-D405 VanDerWaalsContact CB-OD1 3.26Å; T297-D405 WeakPolarHBondContact CB-OD1 3.25Å; T297-D405 WeakPolarHBondContact CB-OD2 2.71Å; T297-D405 VanDerWaalsContact OG1-CG 3.31Å; T297-D405 PolarHBondContact OG1-OD1 3.32Å |
| 298 | P | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -78.4 | -6.2 | 167.4 | 35.9 | -38.3 | 0 | 0 | 0 | 112.9 | V245 H246 V248 S249 N261 T300 I343 | V245-P298 HydrophobicContact CG2-CB 3.72Å; V245-P298 HydrophobicContact CG2-CG 4.41Å; H246-P298 VanDerWaalsContact O-CD 3.31Å; H246-P298 WeakPolarHBondContact O-CD 3.26Å; H246-P298 VanDerWaalsContact O-CG 3.3Å; H246-P298 WeakPolarHBondContact O-CG 3.5Å; V248-P298 VanDerWaalsContact CG2-CD 3.4Å; V248-P298 HydrophobicContact CG2-CG 3.7Å; S249-P298 WeakPolarHBondContact OG-CB 3.44Å; S249-P298 WeakPolarHBondContact OG-CG 3.28Å; N261-P298 WeakPolarHBondContact ND2-CB 3.42Å; P298-T300 VanDerWaalsContact C-N 3.28Å; P298-T300 PolarHBondContact O-N 2.94Å; P298-I343 HydrophobicContact CB-CG1 4.21Å; P298-I343 HydrophobicContact CB-CG2 3.94Å; P298-I343 WeakPolarHBondContact O-CD1 3.35Å |
| 299 | N | 98.4 | Very high | 97.2 | Very high | 8 Ų | 8 | 28.2 Ų | 28.2 | 4% | 0.043 | 16% | 0.16 | C | C | . | . | trans | -82 | 72.1 | -175.4 | -66.3 | -45.1 | 0 | 0 | 0 | 111.2 | T297 R301 G302 A329 F330 G331 D405 | T297-N299 VanDerWaalsContact OG1-CB 3.3Å; T297-N299 WeakPolarHBondContact OG1-CB 3.33Å; T297-N299 PolarHBondContact OG1-N 3.38Å; T297-N299 PolarHBondContact OG1-ND2 2.88Å; N299-R301 VanDerWaalsContact C-N 3.3Å; N299-R301 PolarHBondContact O-N 3.1Å; N299-G302 PolarHBondContact O-N 3.03Å; N299-G302 VanDerWaalsContact O-N 3.15Å; N299-A329 HydrophobicContact CB-CB 3.64Å; N299-F330 CarbonylContact C-O 3.5Å; N299-F330 WeakPolarHBondContact CA-O 3.14Å; N299-G331 PolarHBondContact OD1-N 2.86Å; N299-G331 VanDerWaalsContact OD1-N 3.11Å; N299-D405 PolarHBondContact ND2-OD1 2.9Å | ||
| 300 | T | 97.8 | Very high | 97.1 | Very high | 37 Ų | 37 | 32.8 Ų | 32.8 | 23% | 0.227 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -9.7 | -165.9 | 54.5 | 0 | 0 | 0 | 0 | 116 | P298 G302 F330 I343 | P298-T300 VanDerWaalsContact C-N 3.28Å; P298-T300 PolarHBondContact O-N 2.94Å; T300-G302 PolarHBondContact O-N 3.23Å; T300-F330 PolarHBondContact N-O 2.79Å; T300-I343 HydrophobicContact CG2-CD1 4.24Å |
| 301 | R | 96.7 | Very high | 97 | Very high | 137 Ų | 137 | 38 Ų | 38 | 52% | 0.517 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -13.4 | 170 | -63.6 | -177.4 | 177.4 | 151 | 2.5 | 112.7 | N299 F330 G331 P332 G333 | N299-R301 VanDerWaalsContact C-N 3.3Å; N299-R301 PolarHBondContact O-N 3.1Å; R301-F330 VanDerWaalsContact CB-O 3.28Å; R301-F330 WeakPolarHBondContact CB-O 3.13Å; R301-F330 PolarHBondContact N-O 2.95Å; R301-G331 WeakPolarHBondContact CD-O 3.46Å; R301-G331 WeakPolarHBondContact CG-O 3.42Å; R301-G331 VanDerWaalsContact CZ-O 3.24Å; R301-G331 PolarHBondContact NE-O 2.81Å; R301-G331 VanDerWaalsContact NE-O 3.15Å; R301-G331 PolarHBondContact NH1-O 3.35Å; R301-P332 PolarHBondContact NH2-O 3.33Å; R301-G333 PolarHBondContact NH1-O 3.2Å; R301-G333 PolarHBondContact NH2-O 3.45Å |
| 302 | G | 95.5 | Very high | 96.8 | Very high | 10 Ų | 10 | 38.5 Ų | 38.5 | 10% | 0.103 | 22% | 0.221 | C | C | . | . | trans | 76.2 | 171.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | N299 T300 A329 | N299-G302 PolarHBondContact O-N 3.03Å; N299-G302 VanDerWaalsContact O-N 3.15Å; T300-G302 PolarHBondContact O-N 3.23Å; G302-A329 WeakPolarHBondContact O-CA 3.41Å | ||
| 303 | P | 96.3 | Very high | 96.6 | Very high | 49 Ų | 49 | 41.6 Ų | 41.6 | 32% | 0.318 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 134.6 | -171.8 | 32.1 | -34.7 | 0 | 0 | 0 | 113.3 | C312 Q328 A329 I404 | P303-C312 HydrophobicContact CB-CB 4.4Å; P303-Q328 WeakPolarHBondContact CA-O 3.49Å; P303-A329 HydrophobicContact CB-CB 4.33Å; P303-I404 HydrophobicContact CB-CB 4Å; P303-I404 HydrophobicContact CB-CD1 4.02Å; P303-I404 HydrophobicContact CB-CG2 3.76Å; P303-I404 HydrophobicContact CG-CD1 3.99Å; P303-I404 HydrophobicContact CG-CG2 4.33Å |
| 304 | Y | 96.6 | Very high | 96.3 | Very high | 84 Ų | 84 | 47.6 Ų | 47.6 | 33% | 0.329 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 165.5 | 169.2 | 63.3 | -89.6 | 0 | 0 | 0 | 111.3 | V306 C312 Q328 F330 | Y304-V306 HydrophobicContact CE2-CG1 4.31Å; Y304-V306 PolarHBondContact O-N 2.73Å; Y304-C312 VanDerWaalsContact C-SG 3.52Å; Y304-Q328 PolarHBondContact N-O 3.25Å; Y304-Q328 PolarHBondContact O-N 3.31Å; Y304-F330 HydrophobicContact CD1-CD2 4.44Å; Y304-F330 AromaticContact CE1-CD2 3.47Å; Y304-F330 HydrophobicContact CE1-CD2 3.47Å; Y304-F330 VanDerWaalsContact CE1-CD2 3.47Å; Y304-F330 AromaticContact CE1-CE2 3.96Å; Y304-F330 HydrophobicContact CE1-CE2 3.96Å; Y304-F330 HydrophobicContact CE1-CG 4.49Å; Y304-F330 HydrophobicContact CE2-CE2 4.22Å; Y304-F330 AromaticContact CZ-CD2 3.5Å; Y304-F330 AromaticContact CZ-CE2 3.58Å; Y304-F330 VanDerWaalsContact OH-CD2 3.23Å; Y304-F330 WeakPolarHBondContact OH-CD2 3.3Å; Y304-F330 WeakPolarHBondContact OH-CE2 3.44Å |
| 305 | C | 96.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 107 | 176.2 | -63.7 | 0 | 0 | 0 | 0 | 110.4 | N307 T308 G309 L310 C319 M326 | C305-N307 PolarHBondContact O-N 3.34Å; C305-T308 VanDerWaalsContact CB-OG1 3.24Å; C305-T308 WeakPolarHBondContact CB-OG1 3.35Å; C305-T308 PolarHBondContact O-N 3.36Å; C305-T308 VanDerWaalsContact O-N 3.13Å; C305-G309 WeakPolarHBondContact O-CA 3.38Å; C305-G309 PolarHBondContact O-N 3.03Å; C305-L310 WeakPolarHBondContact CB-O 3.1Å; C305-L310 PolarHBondContact N-O 3.09Å; C305-C319 WeakPolarHBondContact CA-SG 3.48Å; C305-C319 HydrophobicContact CB-CB 3.87Å; C305-C319 WeakPolarHBondContact CB-SG 3.47Å; C305-C319 VanDerWaalsContact SG-CA 3.54Å; C305-C319 WeakPolarHBondContact SG-CB 3.33Å; C305-C319 CovalentContact SG-SG 2.03Å; C305-C319 PolarHBondContact SG-SG 2.93Å; C305-M326 CarbonylContact C-O 3.59Å; C305-M326 WeakPolarHBondContact CA-O 3.46Å |
| 306 | V | 94.6 | Very high | 95.5 | Very high | 58 Ų | 58 | 53.7 Ų | 53.7 | 35% | 0.352 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -23.2 | -172.3 | -60.6 | 0 | 0 | 0 | 0 | 114.3 | Y304 M326 Q328 F330 | Y304-V306 HydrophobicContact CE2-CG1 4.31Å; Y304-V306 PolarHBondContact O-N 2.73Å; V306-M326 HydrophobicContact CG2-CB 4.3Å; V306-M326 HydrophobicContact CG2-SD 3.56Å; V306-M326 VanDerWaalsContact CG2-SD 3.56Å; V306-M326 PolarHBondContact N-O 2.62Å; V306-Q328 HydrophobicContact CG1-CB 3.77Å; V306-Q328 HydrophobicContact CG1-CG 3.96Å; V306-F330 HydrophobicContact CG1-CE2 3.59Å; V306-F330 HydrophobicContact CG1-CZ 3.75Å |
| 307 | N | 94.3 | Very high | 95.4 | Very high | 70 Ų | 70 | 54.1 Ų | 54.1 | 37% | 0.374 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | -25 | -179.8 | 57.6 | -12.7 | 0 | 0 | 0 | 114.2 | C305 V321 M326 | C305-N307 PolarHBondContact O-N 3.34Å; N307-V321 PolarHBondContact ND2-O 3.45Å; N307-M326 HydrophobicContact CB-SD 4.26Å |
| 308 | T | 95.4 | Very high | 95.1 | Very high | 71 Ų | 71 | 55.1 Ų | 55.1 | 44% | 0.436 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.1 | -16.8 | -174.3 | 62.5 | 0 | 0 | 0 | 0 | 114.1 | C305 L310 | C305-T308 VanDerWaalsContact CB-OG1 3.24Å; C305-T308 WeakPolarHBondContact CB-OG1 3.35Å; C305-T308 PolarHBondContact O-N 3.36Å; C305-T308 VanDerWaalsContact O-N 3.13Å; T308-L310 PolarHBondContact O-N 2.97Å; T308-L310 PolarHBondContact OG1-N 3.35Å |
| 309 | G | 94.6 | Very high | 94.9 | Very high | 57 Ų | 57 | 55.4 Ų | 55.4 | 59% | 0.588 | 31% | 0.305 | S | S | * | . | trans | 73.6 | 1.6 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | C305 | C305-G309 WeakPolarHBondContact O-CA 3.38Å; C305-G309 PolarHBondContact O-N 3.03Å | ||
| 310 | L | 94.9 | Very high | 94.6 | Very high | 97 Ų | 97 | 60.6 Ų | 60.6 | 51% | 0.508 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -73.8 | 153.5 | 178.9 | -64.7 | 175.8 | 0 | 0 | 0 | 111.5 | C305 T308 | C305-L310 WeakPolarHBondContact CB-O 3.1Å; C305-L310 PolarHBondContact N-O 3.09Å; T308-L310 PolarHBondContact O-N 2.97Å; T308-L310 PolarHBondContact OG1-N 3.35Å |
| 311 | P | 94.8 | Very high | 94.2 | Very high | 108 Ų | 108 | 63.2 Ų | 63.2 | 70% | 0.701 | 36% | 0.355 | S | S | * | . | B | Isolated β-bridge | trans | -57.6 | 141.7 | 168.9 | -21.9 | 33 | 0 | 0 | 0 | 111.2 | ||
| 312 | C | 95.4 | Very high | 93.7 | Very high | 19 Ų | 19 | 58.6 Ų | 58.6 | 13% | 0.128 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 156.9 | 170.1 | -64.3 | 0 | 0 | 0 | 0 | 111.8 | P303 Y304 Y314 C327 | P303-C312 HydrophobicContact CB-CB 4.4Å; Y304-C312 VanDerWaalsContact C-SG 3.52Å; C312-Y314 PolarHBondContact O-N 2.85Å; C312-C327 HydrophobicContact CB-CB 4.03Å; C312-C327 WeakPolarHBondContact CB-SG 3.16Å; C312-C327 WeakPolarHBondContact SG-CA 3.45Å; C312-C327 WeakPolarHBondContact SG-CB 3.46Å; C312-C327 CovalentContact SG-SG 2.03Å; C312-C327 PolarHBondContact SG-SG 3.15Å |
| 313 | D | 94.3 | Very high | 93.5 | Very high | 66 Ų | 66 | 58.7 Ų | 58.7 | 35% | 0.353 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -58.8 | 127.6 | 166.8 | -178.2 | -103.9 | 0 | 0 | 0 | 111 | L315 N316 S317 S318 | D313-L315 VanDerWaalsContact C-N 3.34Å; D313-L315 PolarHBondContact O-N 3.49Å; D313-L315 PolarHBondContact OD1-N 3.31Å; D313-L315 VanDerWaalsContact OD1-N 3.17Å; D313-N316 WeakPolarHBondContact OD1-CB 3.26Å; D313-N316 PolarHBondContact OD1-N 3.09Å; D313-N316 PolarHBondContact OD1-ND2 2.94Å; D313-S317 VanDerWaalsContact O-CA 3.26Å; D313-S317 WeakPolarHBondContact O-CA 3.03Å; D313-S317 PolarHBondContact O-N 3.45Å; D313-S318 WeakPolarHBondContact CB-O 3.39Å; D313-S318 PolarHBondContact N-O 3.1Å |
| 314 | Y | 92 | Very high | 93.1 | Very high | 126 Ų | 126 | 56.6 Ų | 56.6 | 49% | 0.494 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -33.3 | -172.2 | 177 | -111.9 | 0 | 0 | 0 | 113.2 | P202 H203 C312 | P202-Y314 HydrophobicContact CB-CE2 4.35Å; P202-Y314 HydrophobicContact CG-CE2 3.71Å; H203-Y314 HydrophobicContact CB-CD1 4.33Å; H203-Y314 HydrophobicContact CB-CE1 3.7Å; H203-Y314 AromaticContact CD2-CE1 3.65Å; H203-Y314 PolarHBondContact N-OH 3.13Å; C312-Y314 PolarHBondContact O-N 2.85Å |
| 315 | L | 90.2 | Very high | 92.7 | Very high | 74 Ų | 74 | 56.9 Ų | 56.9 | 39% | 0.387 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -42.9 | -175.9 | -65.3 | 179.4 | 0 | 0 | 0 | 112 | H203 D313 R534 | H203-L315 HydrophobicContact CB-CD2 4.22Å; H203-L315 WeakPolarHBondContact CD2-CD2 3.41Å; H203-L315 WeakPolarHBondContact CE1-CD2 3.31Å; H203-L315 WeakPolarHBondContact ND1-CD2 3.45Å; H203-L315 VanDerWaalsContact NE2-CD2 3.33Å; H203-L315 WeakPolarHBondContact NE2-CD2 3.39Å; D313-L315 VanDerWaalsContact C-N 3.34Å; D313-L315 PolarHBondContact O-N 3.49Å; D313-L315 PolarHBondContact OD1-N 3.31Å; D313-L315 VanDerWaalsContact OD1-N 3.17Å; L315-R534 PolarHBondContact O-NH1 2.82Å |
| 316 | N | 92.1 | Very high | 92.5 | Very high | 56 Ų | 56 | 59.6 Ų | 59.6 | 30% | 0.299 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | -11.8 | -166.8 | -59 | -35.5 | 0 | 0 | 0 | 113.3 | D313 S318 Q414 | D313-N316 WeakPolarHBondContact OD1-CB 3.26Å; D313-N316 PolarHBondContact OD1-N 3.09Å; D313-N316 PolarHBondContact OD1-ND2 2.94Å; N316-S318 VanDerWaalsContact C-N 3.31Å; N316-S318 PolarHBondContact O-N 3.14Å; N316-Q414 WeakPolarHBondContact CA-O 3.4Å; N316-Q414 PolarHBondContact O-N 3.45Å; N316-Q414 PolarHBondContact OD1-O 3.34Å; N316-Q414 VanDerWaalsContact OD1-O 3.08Å |
| 317 | S | 94.8 | Very high | 92.6 | Very high | 10 Ų | 10 | 56.8 Ų | 56.8 | 7% | 0.07 | 34% | 0.337 | C | S | . | . | trans | 50.6 | 50.8 | -174.2 | -66.5 | 0 | 0 | 0 | 0 | 112.4 | D313 C327 R534 | D313-S317 VanDerWaalsContact O-CA 3.26Å; D313-S317 WeakPolarHBondContact O-CA 3.03Å; D313-S317 PolarHBondContact O-N 3.45Å; S317-C327 VanDerWaalsContact O-CB 3.23Å; S317-C327 WeakPolarHBondContact O-CB 3.44Å; S317-R534 PolarHBondContact OG-NH1 3.18Å; S317-R534 PolarHBondContact OG-NH2 2.89Å | ||
| 318 | S | 93.8 | Very high | 92.7 | Very high | 21 Ų | 21 | 54.6 Ų | 54.6 | 15% | 0.147 | 33% | 0.325 | C | S | . | . | trans | -127.8 | 161.2 | -179.8 | 64.5 | 0 | 0 | 0 | 0 | 111.3 | D313 N316 | D313-S318 WeakPolarHBondContact CB-O 3.39Å; D313-S318 PolarHBondContact N-O 3.1Å; N316-S318 VanDerWaalsContact C-N 3.31Å; N316-S318 PolarHBondContact O-N 3.14Å | ||
| 319 | C | 94.1 | Very high | 92.8 | Very high | 6 Ų | 6 | 51.6 Ų | 51.6 | 4% | 0.041 | 31% | 0.307 | C | S | . | . | B | Isolated β-bridge | trans | -110.8 | 144.9 | 175.8 | -68.6 | 0 | 0 | 0 | 0 | 110.9 | C305 V321 G323 M326 | C305-C319 WeakPolarHBondContact CA-SG 3.48Å; C305-C319 HydrophobicContact CB-CB 3.87Å; C305-C319 WeakPolarHBondContact CB-SG 3.47Å; C305-C319 VanDerWaalsContact SG-CA 3.54Å; C305-C319 WeakPolarHBondContact SG-CB 3.33Å; C305-C319 CovalentContact SG-SG 2.03Å; C305-C319 PolarHBondContact SG-SG 2.93Å; C319-V321 PolarHBondContact O-N 3.04Å; C319-G323 PolarHBondContact N-O 2.94Å; C319-G323 WeakPolarHBondContact O-CA 3.49Å; C319-G323 PolarHBondContact O-N 3.36Å; C319-M326 HydrophobicContact CB-CB 4.04Å |
| 320 | P | 91.6 | Very high | 92.8 | Very high | 116 Ų | 116 | 51.4 Ų | 51.4 | 75% | 0.753 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -34.9 | 176.8 | -26.5 | 34.3 | 0 | 0 | 0 | 113.2 | ||
| 321 | V | 90.3 | Very high | 92.9 | Very high | 92 Ų | 92 | 46.9 Ų | 46.9 | 56% | 0.558 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.9 | 119 | 174.5 | -177.2 | 0 | 0 | 0 | 0 | 108.4 | N307 C319 | N307-V321 PolarHBondContact ND2-O 3.45Å; C319-V321 PolarHBondContact O-N 3.04Å |
| 322 | G | 86.9 | Confident | 93.1 | Very high | 41 Ų | 41 | 43.6 Ų | 43.6 | 42% | 0.423 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.7 | 5.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 323 | G | 89.8 | Confident | 93.2 | Very high | 12 Ų | 12 | 42.8 Ų | 42.8 | 12% | 0.124 | 24% | 0.241 | C | C | . | . | B | Isolated β-bridge | trans | 65.5 | -148.5 | 165.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | C319 K325 M326 | C319-G323 PolarHBondContact N-O 2.94Å; C319-G323 WeakPolarHBondContact O-CA 3.49Å; C319-G323 PolarHBondContact O-N 3.36Å; G323-K325 VanDerWaalsContact C-N 3.35Å; G323-M326 PolarHBondContact O-N 3.03Å |
| 324 | T | 88.1 | Confident | 93.4 | Very high | 5 Ų | 5 | 48 Ų | 48 | 3% | 0.031 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -66.4 | -33.6 | -178.7 | 44.6 | 0 | 0 | 0 | 0 | 113.2 | M326 C327 F412 T413 | T324-M326 PolarHBondContact O-N 3.22Å; T324-C327 PolarHBondContact O-N 2.99Å; T324-F412 WeakPolarHBondContact CG2-O 3.14Å; T324-F412 PolarHBondContact OG1-O 3.46Å; T324-T413 HydrophobicContact CG2-CG2 4.15Å |
| 325 | K | 88.1 | Confident | 93.6 | Very high | 89 Ų | 89 | 45.1 Ų | 45.1 | 39% | 0.387 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -58 | -33.9 | 178.3 | -176.1 | 168.5 | -174.7 | 155.2 | 0 | 113.5 | G323 Q328 D409 | G323-K325 VanDerWaalsContact C-N 3.35Å; K325-Q328 PolarHBondContact O-NE2 3.18Å; K325-D409 IonicContact NZ-OD1 2.74Å; K325-D409 PolarHBondContact NZ-OD1 3.42Å |
| 326 | M | 93.6 | Very high | 94 | Very high | 57 Ų | 57 | 43 Ų | 43 | 28% | 0.281 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -85.6 | -13.8 | 179.5 | -65.4 | -60.7 | 160.7 | 0 | 0 | 113.4 | C305 V306 N307 C319 G323 T324 Q328 | C305-M326 CarbonylContact C-O 3.59Å; C305-M326 WeakPolarHBondContact CA-O 3.46Å; V306-M326 HydrophobicContact CG2-CB 4.3Å; V306-M326 HydrophobicContact CG2-SD 3.56Å; V306-M326 VanDerWaalsContact CG2-SD 3.56Å; V306-M326 PolarHBondContact N-O 2.62Å; N307-M326 HydrophobicContact CB-SD 4.26Å; C319-M326 HydrophobicContact CB-CB 4.04Å; G323-M326 PolarHBondContact O-N 3.03Å; T324-M326 PolarHBondContact O-N 3.22Å; M326-Q328 PolarHBondContact O-N 3.47Å |
| 327 | C | 95.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 102.9 | 174.9 | 179.1 | 0 | 0 | 0 | 0 | 110 | C312 S317 T324 | C312-C327 HydrophobicContact CB-CB 4.03Å; C312-C327 WeakPolarHBondContact CB-SG 3.16Å; C312-C327 WeakPolarHBondContact SG-CA 3.45Å; C312-C327 WeakPolarHBondContact SG-CB 3.46Å; C312-C327 CovalentContact SG-SG 2.03Å; C312-C327 PolarHBondContact SG-SG 3.15Å; S317-C327 VanDerWaalsContact O-CB 3.23Å; S317-C327 WeakPolarHBondContact O-CB 3.44Å; T324-C327 PolarHBondContact O-N 2.99Å |
| 328 | Q | 95.9 | Very high | 94.5 | Very high | 24 Ų | 24 | 42.7 Ų | 42.7 | 11% | 0.112 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 143.3 | -176 | -56 | -171.1 | -2.7 | 0 | 0 | 111.2 | Y252 P303 Y304 V306 K325 M326 F330 I404 | Y252-Q328 PolarHBondContact OH-NE2 3.39Å; P303-Q328 WeakPolarHBondContact CA-O 3.49Å; Y304-Q328 PolarHBondContact N-O 3.25Å; Y304-Q328 PolarHBondContact O-N 3.31Å; V306-Q328 HydrophobicContact CG1-CB 3.77Å; V306-Q328 HydrophobicContact CG1-CG 3.96Å; K325-Q328 PolarHBondContact O-NE2 3.18Å; M326-Q328 PolarHBondContact O-N 3.47Å; Q328-F330 HydrophobicContact CB-CE2 3.83Å; Q328-F330 HydrophobicContact CB-CZ 4.11Å; Q328-I404 WeakPolarHBondContact CA-O 3.07Å |
| 329 | A | 97.1 | Very high | 94.7 | Very high | 7 Ų | 7 | 42 Ų | 42 | 6% | 0.058 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 144.6 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | N299 G302 P303 I404 | N299-A329 HydrophobicContact CB-CB 3.64Å; G302-A329 WeakPolarHBondContact O-CA 3.41Å; P303-A329 HydrophobicContact CB-CB 4.33Å; A329-I404 HydrophobicContact CB-CB 4.09Å; A329-I404 HydrophobicContact CB-CD1 3.81Å; A329-I404 HydrophobicContact CB-CG1 3.82Å; A329-I404 PolarHBondContact N-O 3.35Å |
| 330 | F | 96.3 | Very high | 94.9 | Very high | 53 Ų | 53 | 41.7 Ų | 41.7 | 23% | 0.232 | 23% | 0.231 | C | C | . | . | trans | -120.9 | 149.3 | 178 | -66.3 | -91.7 | 0 | 0 | 0 | 111.8 | N299 T300 R301 Y304 V306 Q328 | N299-F330 CarbonylContact C-O 3.5Å; N299-F330 WeakPolarHBondContact CA-O 3.14Å; T300-F330 PolarHBondContact N-O 2.79Å; R301-F330 VanDerWaalsContact CB-O 3.28Å; R301-F330 WeakPolarHBondContact CB-O 3.13Å; R301-F330 PolarHBondContact N-O 2.95Å; Y304-F330 HydrophobicContact CD1-CD2 4.44Å; Y304-F330 AromaticContact CE1-CD2 3.47Å; Y304-F330 HydrophobicContact CE1-CD2 3.47Å; Y304-F330 VanDerWaalsContact CE1-CD2 3.47Å; Y304-F330 AromaticContact CE1-CE2 3.96Å; Y304-F330 HydrophobicContact CE1-CE2 3.96Å; Y304-F330 HydrophobicContact CE1-CG 4.49Å; Y304-F330 HydrophobicContact CE2-CE2 4.22Å; Y304-F330 AromaticContact CZ-CD2 3.5Å; Y304-F330 AromaticContact CZ-CE2 3.58Å; Y304-F330 VanDerWaalsContact OH-CD2 3.23Å; Y304-F330 WeakPolarHBondContact OH-CD2 3.3Å; Y304-F330 WeakPolarHBondContact OH-CE2 3.44Å; V306-F330 HydrophobicContact CG1-CE2 3.59Å; V306-F330 HydrophobicContact CG1-CZ 3.75Å; Q328-F330 HydrophobicContact CB-CE2 3.83Å; Q328-F330 HydrophobicContact CB-CZ 4.11Å | ||
| 331 | G | 97.3 | Very high | 95.3 | Very high | 3 Ų | 3 | 40.6 Ų | 40.6 | 3% | 0.031 | 21% | 0.212 | C | C | . | . | trans | -69.3 | 174.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | N299 R301 G333 S339 | N299-G331 PolarHBondContact OD1-N 2.86Å; N299-G331 VanDerWaalsContact OD1-N 3.11Å; R301-G331 WeakPolarHBondContact CD-O 3.46Å; R301-G331 WeakPolarHBondContact CG-O 3.42Å; R301-G331 VanDerWaalsContact CZ-O 3.24Å; R301-G331 PolarHBondContact NE-O 2.81Å; R301-G331 VanDerWaalsContact NE-O 3.15Å; R301-G331 PolarHBondContact NH1-O 3.35Å; G331-G333 VanDerWaalsContact C-N 3.26Å; G331-G333 PolarHBondContact O-N 2.97Å; G331-S339 WeakPolarHBondContact CA-OG 3.3Å | ||
| 332 | P | 97.9 | Very high | 95.7 | Very high | 39 Ų | 39 | 38.1 Ų | 38.1 | 25% | 0.253 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -75.2 | -11.2 | -173.5 | 30.6 | -36.6 | 0 | 0 | 0 | 114.1 | R301 I342 I343 | R301-P332 PolarHBondContact NH2-O 3.33Å; P332-I342 HydrophobicContact CB-CG2 4.25Å; P332-I342 HydrophobicContact CG-CB 3.97Å; P332-I342 HydrophobicContact CG-CD1 4.32Å; P332-I342 HydrophobicContact CG-CG2 3.53Å; P332-I343 HydrophobicContact CG-CD1 3.91Å; P332-I343 HydrophobicContact CG-CG1 4.13Å |
| 333 | G | 97.9 | Very high | 96.2 | Very high | 2 Ų | 2 | 36.2 Ų | 36.2 | 2% | 0.021 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -86.7 | 173.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | R301 G331 D335 D338 S339 | R301-G333 PolarHBondContact NH1-O 3.2Å; R301-G333 PolarHBondContact NH2-O 3.45Å; G331-G333 VanDerWaalsContact C-N 3.26Å; G331-G333 PolarHBondContact O-N 2.97Å; G333-D335 VanDerWaalsContact C-N 3.26Å; G333-D335 PolarHBondContact O-N 2.68Å; G333-D338 VanDerWaalsContact CA-OD2 3.31Å; G333-D338 WeakPolarHBondContact CA-OD2 3.31Å; G333-S339 WeakPolarHBondContact CA-OG 3.42Å; G333-S339 PolarHBondContact N-OG 3.47Å |
| 334 | K | 97.1 | Very high | 96.7 | Very high | 176 Ų | 176 | 35.6 Ų | 35.6 | 77% | 0.765 | 17% | 0.169 | S | C | * | . | S | Bend | trans | -68.3 | -27.7 | 176.1 | 67.6 | -172.7 | 179.2 | 178.2 | 0 | 113.2 | D338 | K334-D338 HydrophobicContact CG-CB 3.91Å; K334-D338 PolarHBondContact N-OD2 3.14Å |
| 335 | D | 97.4 | Very high | 97.2 | Very high | 65 Ų | 65 | 38.2 Ų | 38.2 | 35% | 0.348 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -145.5 | -176.1 | 177.4 | 59.4 | 48.7 | 0 | 0 | 0 | 109.6 | G333 F337 D338 S339 | G333-D335 VanDerWaalsContact C-N 3.26Å; G333-D335 PolarHBondContact O-N 2.68Å; D335-F337 WeakPolarHBondContact OD1-CA 3.39Å; D335-F337 WeakPolarHBondContact OD1-CB 3.34Å; D335-F337 PolarHBondContact OD1-N 2.73Å; D335-D338 PolarHBondContact OD1-N 3.03Å; D335-S339 VanDerWaalsContact O-CB 3.29Å; D335-S339 WeakPolarHBondContact O-CB 3.34Å; D335-S339 PolarHBondContact O-N 2.88Å; D335-S339 PolarHBondContact O-OG 2.92Å |
| 336 | M | 98.1 | Very high | 97.7 | Very high | 29 Ų | 29 | 36.2 Ų | 36.2 | 14% | 0.143 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -67.1 | -33.8 | 179.4 | 60.5 | 170 | 47.7 | 0 | 0 | 113.4 | M250 N251 T253 N254 S339 T340 | M250-M336 HydrophobicContact CE-CG 4.31Å; M250-M336 HydrophobicContact CE-SD 3.74Å; M250-M336 HydrophobicContact SD-CB 4.11Å; M250-M336 HydrophobicContact SD-CG 3.89Å; M250-M336 HydrophobicContact SD-SD 3.94Å; N251-M336 HydrophobicContact CB-CE 4.04Å; N251-M336 WeakPolarHBondContact ND2-CE 3.32Å; N251-M336 WeakPolarHBondContact OD1-CE 3.46Å; T253-M336 WeakPolarHBondContact OG1-CE 3.45Å; N254-M336 HydrophobicContact CB-CE 4.18Å; N254-M336 HydrophobicContact CB-SD 3.83Å; M336-S339 PolarHBondContact O-N 3.14Å; M336-T340 WeakPolarHBondContact O-CB 3.46Å; M336-T340 PolarHBondContact O-N 2.84Å; M336-T340 PolarHBondContact O-OG1 2.91Å |
| 337 | F | 98.5 | Very high | 97.9 | Very high | 29 Ų | 29 | 33.5 Ų | 33.5 | 13% | 0.127 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -69.7 | -46.6 | 179.4 | -60.9 | -83.3 | 0 | 0 | 0 | 109.8 | H79 M250 M256 D335 S339 T340 R341 W659 | H79-F337 AromaticContact CE1-CD1 3.59Å; H79-F337 AromaticContact ND1-CD1 3.67Å; H79-F337 AromaticContact ND1-CE1 3.76Å; M250-F337 HydrophobicContact CE-CD1 3.67Å; M250-F337 HydrophobicContact CE-CE1 3.24Å; M250-F337 HydrophobicContact CE-CG 4.46Å; M250-F337 HydrophobicContact CE-CZ 3.72Å; M250-F337 HydrophobicContact SD-CD1 3.93Å; M250-F337 HydrophobicContact SD-CE1 4.13Å; M250-F337 HydrophobicContact SD-CG 4.38Å; M256-F337 HydrophobicContact CE-CE1 3.23Å; M256-F337 HydrophobicContact CE-CE2 4.42Å; M256-F337 HydrophobicContact CE-CZ 3.17Å; D335-F337 WeakPolarHBondContact OD1-CA 3.39Å; D335-F337 WeakPolarHBondContact OD1-CB 3.34Å; D335-F337 PolarHBondContact OD1-N 2.73Å; F337-S339 VanDerWaalsContact C-N 3.33Å; F337-S339 PolarHBondContact O-N 3.49Å; F337-T340 PolarHBondContact O-N 3.41Å; F337-R341 WeakPolarHBondContact O-CB 3.44Å; F337-R341 PolarHBondContact O-N 2.6Å; F337-W659 WeakPolarHBondContact O-CZ2 2.98Å |
| 338 | D | 98.4 | Very high | 98.1 | Very high | 31 Ų | 31 | 34.1 Ų | 34.1 | 17% | 0.166 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -66.7 | -35.9 | 177 | -169.9 | 43.4 | 0 | 0 | 0 | 111.6 | G333 K334 D335 R341 I342 | G333-D338 VanDerWaalsContact CA-OD2 3.31Å; G333-D338 WeakPolarHBondContact CA-OD2 3.31Å; K334-D338 HydrophobicContact CG-CB 3.91Å; K334-D338 PolarHBondContact N-OD2 3.14Å; D335-D338 PolarHBondContact OD1-N 3.03Å; D338-R341 WeakPolarHBondContact O-CB 3.45Å; D338-R341 PolarHBondContact O-N 2.86Å; D338-R341 IonicContact OD1-CZ 2.82Å; D338-R341 IonicContact OD1-NE 2.66Å; D338-R341 PolarHBondContact OD1-NE 3.42Å; D338-R341 IonicContact OD1-NH2 2.72Å; D338-R341 PolarHBondContact OD1-NH2 2.84Å; D338-I342 WeakPolarHBondContact O-CB 3.4Å; D338-I342 WeakPolarHBondContact O-CD1 3.46Å; D338-I342 WeakPolarHBondContact O-CG1 3.36Å; D338-I342 PolarHBondContact O-N 3.36Å |
| 339 | S | 98.8 | Very high | 98.2 | Very high | 5 Ų | 5 | 36.8 Ų | 36.8 | 4% | 0.035 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.3 | -46.8 | 172.1 | -65.1 | 0 | 0 | 0 | 0 | 111.7 | G331 G333 D335 M336 F337 R341 I342 I343 | G331-S339 WeakPolarHBondContact CA-OG 3.3Å; G333-S339 WeakPolarHBondContact CA-OG 3.42Å; G333-S339 PolarHBondContact N-OG 3.47Å; D335-S339 VanDerWaalsContact O-CB 3.29Å; D335-S339 WeakPolarHBondContact O-CB 3.34Å; D335-S339 PolarHBondContact O-N 2.88Å; D335-S339 PolarHBondContact O-OG 2.92Å; M336-S339 PolarHBondContact O-N 3.14Å; F337-S339 VanDerWaalsContact C-N 3.33Å; F337-S339 PolarHBondContact O-N 3.49Å; S339-R341 VanDerWaalsContact C-N 3.31Å; S339-R341 PolarHBondContact O-N 3.11Å; S339-I342 PolarHBondContact O-N 2.93Å; S339-I343 VanDerWaalsContact O-CG1 3.29Å; S339-I343 WeakPolarHBondContact O-CG1 3.42Å; S339-I343 PolarHBondContact O-N 3.27Å |
| 340 | T | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.4 | -42.4 | 176.6 | -53.7 | 0 | 0 | 0 | 0 | 111 | S249 M250 N261 M336 F337 G344 W659 | S249-T340 VanDerWaalsContact CB-CA 3.49Å; S249-T340 WeakPolarHBondContact CB-OG1 3.35Å; M250-T340 HydrophobicContact CG-CG2 4.26Å; M250-T340 WeakPolarHBondContact CG-OG1 3.36Å; M250-T340 PolarHBondContact N-OG1 3.42Å; M250-T340 PolarHBondContact SD-OG1 2.85Å; M250-T340 VanDerWaalsContact SD-OG1 3.4Å; N261-T340 HydrophobicContact CB-CG2 4.13Å; N261-T340 VanDerWaalsContact N-CG2 3.34Å; M336-T340 WeakPolarHBondContact O-CB 3.46Å; M336-T340 PolarHBondContact O-N 2.84Å; M336-T340 PolarHBondContact O-OG1 2.91Å; F337-T340 PolarHBondContact O-N 3.41Å; T340-G344 PolarHBondContact O-N 3.12Å; T340-W659 HydrophobicContact CG2-CH2 3.56Å; T340-W659 HydrophobicContact CG2-CZ3 4.33Å |
| 341 | R | 98.6 | Very high | 98.4 | Very high | 94 Ų | 94 | 35.9 Ų | 35.9 | 36% | 0.355 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -59.5 | -51.9 | 175.3 | -168.7 | -169.4 | 63.1 | 81.5 | 2.6 | 111.5 | Y264 F337 D338 S339 H345 W659 | Y264-R341 HydrophobicContact CD1-CG 4.37Å; Y264-R341 WeakPolarHBondContact CD1-O 3.41Å; Y264-R341 HydrophobicContact CE1-CB 4.04Å; Y264-R341 HydrophobicContact CE1-CG 3.44Å; Y264-R341 VanDerWaalsContact CE1-CG 3.44Å; Y264-R341 VanDerWaalsContact CE1-O 3.3Å; Y264-R341 WeakPolarHBondContact CE1-O 3.4Å; Y264-R341 WeakPolarHBondContact OH-CG 3.5Å; F337-R341 WeakPolarHBondContact O-CB 3.44Å; F337-R341 PolarHBondContact O-N 2.6Å; D338-R341 WeakPolarHBondContact O-CB 3.45Å; D338-R341 PolarHBondContact O-N 2.86Å; D338-R341 IonicContact OD1-CZ 2.82Å; D338-R341 IonicContact OD1-NE 2.66Å; D338-R341 PolarHBondContact OD1-NE 3.42Å; D338-R341 IonicContact OD1-NH2 2.72Å; D338-R341 PolarHBondContact OD1-NH2 2.84Å; S339-R341 VanDerWaalsContact C-N 3.31Å; S339-R341 PolarHBondContact O-N 3.11Å; R341-H345 WeakPolarHBondContact O-CB 3.33Å; R341-H345 PolarHBondContact O-N 3.36Å; R341-W659 HydrophobicContact CB-CZ2 3.88Å |
| 342 | I | 98.8 | Very high | 98.5 | Very high | 40 Ų | 40 | 39.6 Ų | 39.6 | 21% | 0.205 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.1 | -49.6 | -177.7 | -70.1 | 162.6 | 0 | 0 | 0 | 110.7 | P332 D338 S339 H345 N346 | P332-I342 HydrophobicContact CB-CG2 4.25Å; P332-I342 HydrophobicContact CG-CB 3.97Å; P332-I342 HydrophobicContact CG-CD1 4.32Å; P332-I342 HydrophobicContact CG-CG2 3.53Å; D338-I342 WeakPolarHBondContact O-CB 3.4Å; D338-I342 WeakPolarHBondContact O-CD1 3.46Å; D338-I342 WeakPolarHBondContact O-CG1 3.36Å; D338-I342 PolarHBondContact O-N 3.36Å; S339-I342 PolarHBondContact O-N 2.93Å; I342-H345 PolarHBondContact O-N 3.02Å; I342-N346 VanDerWaalsContact O-CG 3.23Å; I342-N346 PolarHBondContact O-N 3.48Å; I342-N346 PolarHBondContact O-OD1 3.29Å |
| 343 | I | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.2 | -48.5 | -178.9 | -62.2 | -67.4 | 0 | 0 | 0 | 110.5 | N261 P298 T300 P332 S339 H345 N346 I347 | N261-I343 HydrophobicContact CB-CB 4.15Å; N261-I343 HydrophobicContact CB-CG2 3.86Å; P298-I343 HydrophobicContact CB-CG1 4.21Å; P298-I343 HydrophobicContact CB-CG2 3.94Å; P298-I343 WeakPolarHBondContact O-CD1 3.35Å; T300-I343 HydrophobicContact CG2-CD1 4.24Å; P332-I343 HydrophobicContact CG-CD1 3.91Å; P332-I343 HydrophobicContact CG-CG1 4.13Å; S339-I343 VanDerWaalsContact O-CG1 3.29Å; S339-I343 WeakPolarHBondContact O-CG1 3.42Å; S339-I343 PolarHBondContact O-N 3.27Å; I343-H345 VanDerWaalsContact C-N 3.33Å; I343-H345 PolarHBondContact O-N 3.39Å; I343-N346 PolarHBondContact O-N 2.88Å; I343-I347 HydrophobicContact CG2-CD1 3.88Å; I343-I347 VanDerWaalsContact O-CG1 3.29Å; I343-I347 WeakPolarHBondContact O-CG1 3.37Å; I343-I347 PolarHBondContact O-N 3.47Å; I343-I347 VanDerWaalsContact O-N 3.11Å |
| 344 | G | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.6 | -38.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | N261 A265 T340 I347 Y348 | N261-G344 WeakPolarHBondContact O-CA 3.16Å; A265-G344 WeakPolarHBondContact CB-O 3.4Å; T340-G344 PolarHBondContact O-N 3.12Å; G344-I347 PolarHBondContact O-N 2.95Å; G344-Y348 WeakPolarHBondContact O-CB 3.48Å; G344-Y348 PolarHBondContact O-N 3Å |
| 345 | H | 98.8 | Very high | 98.6 | Very high | 60 Ų | 60 | 34.3 Ų | 34.3 | 28% | 0.278 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -65 | -42.2 | 176.6 | -167.4 | 89.8 | 0 | 0 | 0 | 112.1 | Y264 L268 R341 I342 I343 I347 Y348 L349 | Y264-H345 HydrophobicContact CE1-CB 4.3Å; L268-H345 HydrophobicContact CD1-CB 4.12Å; L268-H345 WeakPolarHBondContact CD1-ND1 3.34Å; R341-H345 WeakPolarHBondContact O-CB 3.33Å; R341-H345 PolarHBondContact O-N 3.36Å; I342-H345 PolarHBondContact O-N 3.02Å; I343-H345 VanDerWaalsContact C-N 3.33Å; I343-H345 PolarHBondContact O-N 3.39Å; H345-I347 VanDerWaalsContact C-N 3.33Å; H345-I347 PolarHBondContact O-N 3.11Å; H345-Y348 WeakPolarHBondContact O-CD1 3.4Å; H345-Y348 PolarHBondContact O-N 2.79Å; H345-L349 VanDerWaalsContact CD2-CD1 3.46Å; H345-L349 WeakPolarHBondContact CD2-CD1 3.33Å; H345-L349 WeakPolarHBondContact O-CG 3.42Å; H345-L349 PolarHBondContact O-N 2.76Å |
| 346 | N | 98.8 | Very high | 98.5 | Very high | 47 Ų | 47 | 34.5 Ų | 34.5 | 25% | 0.251 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -61.3 | -43.4 | 175.8 | -70.4 | -9.6 | 0 | 0 | 0 | 111.7 | L193 S196 I342 I343 L349 K350 | L193-N346 HydrophobicContact CD1-CB 4.29Å; S196-N346 WeakPolarHBondContact OG-CB 3.44Å; S196-N346 PolarHBondContact OG-ND2 3.36Å; I342-N346 VanDerWaalsContact O-CG 3.23Å; I342-N346 PolarHBondContact O-N 3.48Å; I342-N346 PolarHBondContact O-OD1 3.29Å; I343-N346 PolarHBondContact O-N 2.88Å; N346-L349 PolarHBondContact O-N 2.77Å; N346-K350 PolarHBondContact O-N 2.82Å; N346-K350 VanDerWaalsContact O-N 3.11Å |
| 347 | I | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.7 | -46.1 | 176 | -65.6 | 165.4 | 0 | 0 | 0 | 110.5 | L193 F243 V245 M262 A265 F288 I343 G344 H345 A351 | L193-I347 HydrophobicContact CD2-CB 4.29Å; L193-I347 HydrophobicContact CD2-CG1 3.72Å; F243-I347 HydrophobicContact CD1-CD1 3.98Å; F243-I347 HydrophobicContact CD1-CG1 3.89Å; F243-I347 HydrophobicContact CE1-CD1 4.23Å; F243-I347 HydrophobicContact CE1-CG1 4.06Å; V245-I347 HydrophobicContact CG1-CD1 3.97Å; M262-I347 HydrophobicContact SD-CD1 3.98Å; A265-I347 HydrophobicContact CB-CB 4.06Å; A265-I347 HydrophobicContact CB-CG2 3.8Å; F288-I347 HydrophobicContact CD1-CG2 3.55Å; F288-I347 HydrophobicContact CE1-CG2 3.55Å; I343-I347 HydrophobicContact CG2-CD1 3.88Å; I343-I347 VanDerWaalsContact O-CG1 3.29Å; I343-I347 WeakPolarHBondContact O-CG1 3.37Å; I343-I347 PolarHBondContact O-N 3.47Å; I343-I347 VanDerWaalsContact O-N 3.11Å; G344-I347 PolarHBondContact O-N 2.95Å; H345-I347 VanDerWaalsContact C-N 3.33Å; H345-I347 PolarHBondContact O-N 3.11Å; I347-A351 WeakPolarHBondContact O-CB 3.3Å; I347-A351 PolarHBondContact O-N 2.89Å |
| 348 | Y | 98.8 | Very high | 98.4 | Very high | 12 Ų | 12 | 36.7 Ų | 36.7 | 5% | 0.047 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60 | -48.3 | 175.8 | 148.1 | -95.2 | 0 | 0 | 0 | 112.1 | L268 L269 D272 G344 H345 K350 A351 K352 | L268-Y348 HydrophobicContact CB-CD1 4.06Å; L268-Y348 HydrophobicContact CB-CD2 3.53Å; L268-Y348 HydrophobicContact CB-CE1 4.4Å; L268-Y348 HydrophobicContact CB-CE2 3.89Å; L268-Y348 HydrophobicContact CB-CG 3.63Å; L268-Y348 HydrophobicContact CD1-CD1 3.7Å; L268-Y348 HydrophobicContact CD1-CE1 4.31Å; L268-Y348 HydrophobicContact CD1-CG 3.88Å; L268-Y348 HydrophobicContact CG-CG 4.44Å; L269-Y348 HydrophobicContact CB-CD2 3.95Å; L269-Y348 HydrophobicContact CB-CE2 4.3Å; L269-Y348 HydrophobicContact CD1-CD2 4.32Å; L269-Y348 HydrophobicContact CD1-CE2 4.08Å; D272-Y348 PolarHBondContact OD1-OH 3.25Å; D272-Y348 WeakPolarHBondContact OD2-CE2 3.35Å; D272-Y348 VanDerWaalsContact OD2-CZ 3.28Å; D272-Y348 PolarHBondContact OD2-OH 3.26Å; G344-Y348 WeakPolarHBondContact O-CB 3.48Å; G344-Y348 PolarHBondContact O-N 3Å; H345-Y348 WeakPolarHBondContact O-CD1 3.4Å; H345-Y348 PolarHBondContact O-N 2.79Å; Y348-K350 VanDerWaalsContact C-N 3.34Å; Y348-K350 PolarHBondContact O-N 3.38Å; Y348-A351 PolarHBondContact O-N 3.05Å; Y348-K352 HydrophobicContact CE1-CD 4.48Å; Y348-K352 HydrophobicContact CE2-CB 4.29Å; Y348-K352 HydrophobicContact CE2-CD 3.83Å; Y348-K352 VanDerWaalsContact O-CB 3.29Å; Y348-K352 WeakPolarHBondContact O-CB 3.49Å; Y348-K352 PolarHBondContact O-N 3.32Å; Y348-K352 VanDerWaalsContact OH-CD 3.23Å; Y348-K352 WeakPolarHBondContact OH-CD 3.3Å; Y348-K352 PolarHBondContact OH-NZ 3.08Å |
| 349 | L | 98.8 | Very high | 98.2 | Very high | 81 Ų | 81 | 41.2 Ų | 41.2 | 42% | 0.424 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -60 | -45.6 | -178.6 | -77.7 | 178.5 | 0 | 0 | 0 | 111.2 | H345 N346 K352 E353 | H345-L349 VanDerWaalsContact CD2-CD1 3.46Å; H345-L349 WeakPolarHBondContact CD2-CD1 3.33Å; H345-L349 WeakPolarHBondContact O-CG 3.42Å; H345-L349 PolarHBondContact O-N 2.76Å; N346-L349 PolarHBondContact O-N 2.77Å; L349-K352 PolarHBondContact O-N 3.41Å; L349-E353 WeakPolarHBondContact O-CB 3.43Å; L349-E353 PolarHBondContact O-N 2.91Å |
| 350 | K | 98.8 | Very high | 98 | Very high | 41 Ų | 41 | 45.6 Ų | 45.6 | 18% | 0.178 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.4 | -45.3 | 176.6 | -177.9 | 57.2 | 57.2 | -175.7 | 0 | 111.4 | E192 L193 V224 N346 Y348 K352 E353 L354 | E192-K350 WeakPolarHBondContact O-CE 3.39Å; L193-K350 HydrophobicContact CB-CB 4.46Å; L193-K350 HydrophobicContact CB-CG 4.19Å; L193-K350 HydrophobicContact CD1-CB 4.2Å; L193-K350 HydrophobicContact CD2-CB 4.43Å; V224-K350 HydrophobicContact CB-CG 4.06Å; V224-K350 HydrophobicContact CG1-CG 4.4Å; V224-K350 HydrophobicContact CG2-CG 3.89Å; N346-K350 PolarHBondContact O-N 2.82Å; N346-K350 VanDerWaalsContact O-N 3.11Å; Y348-K350 VanDerWaalsContact C-N 3.34Å; Y348-K350 PolarHBondContact O-N 3.38Å; K350-K352 PolarHBondContact O-N 3.09Å; K350-E353 WeakPolarHBondContact CE-OE2 3.42Å; K350-E353 IonicContact NZ-OE1 3.52Å; K350-E353 IonicContact NZ-OE2 3.33Å; K350-E353 PolarHBondContact NZ-OE2 3.02Å; K350-E353 WeakPolarHBondContact O-CB 3.37Å; K350-E353 PolarHBondContact O-N 3.03Å; K350-L354 HydrophobicContact CD-CD1 4.15Å; K350-L354 HydrophobicContact CD-CG 4.13Å; K350-L354 HydrophobicContact CG-CD1 4.07Å; K350-L354 HydrophobicContact CG-CG 4.45Å; K350-L354 WeakPolarHBondContact O-CB 3.48Å; K350-L354 VanDerWaalsContact O-CG 3.27Å; K350-L354 WeakPolarHBondContact O-CG 3.28Å; K350-L354 PolarHBondContact O-N 2.83Å |
| 351 | A | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.7 | -40 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | V226 M239 F288 I347 Y348 L354 Y355 | V226-A351 HydrophobicContact CG2-CB 4.13Å; M239-A351 HydrophobicContact CE-CB 3.91Å; M239-A351 HydrophobicContact SD-CB 4.22Å; F288-A351 HydrophobicContact CE1-CB 3.48Å; F288-A351 VanDerWaalsContact CE1-CB 3.48Å; F288-A351 HydrophobicContact CZ-CB 3.62Å; I347-A351 WeakPolarHBondContact O-CB 3.3Å; I347-A351 PolarHBondContact O-N 2.89Å; Y348-A351 PolarHBondContact O-N 3.05Å; A351-L354 PolarHBondContact O-N 2.85Å; A351-Y355 WeakPolarHBondContact O-CB 3.27Å; A351-Y355 PolarHBondContact O-N 3.16Å |
| 352 | K | 98.4 | Very high | 97.7 | Very high | 81 Ų | 81 | 43.6 Ų | 43.6 | 35% | 0.352 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -62.5 | -44.1 | 175.1 | 178 | 173.1 | 173.9 | 174.2 | 0 | 112 | L269 D272 Y348 L349 K350 Y355 A356 | L269-K352 HydrophobicContact CD1-CB 4.3Å; D272-K352 WeakPolarHBondContact OD2-CD 3.49Å; D272-K352 WeakPolarHBondContact OD2-CE 3.47Å; D272-K352 IonicContact OD2-NZ 3.33Å; D272-K352 PolarHBondContact OD2-NZ 2.75Å; Y348-K352 HydrophobicContact CE1-CD 4.48Å; Y348-K352 HydrophobicContact CE2-CB 4.29Å; Y348-K352 HydrophobicContact CE2-CD 3.83Å; Y348-K352 VanDerWaalsContact O-CB 3.29Å; Y348-K352 WeakPolarHBondContact O-CB 3.49Å; Y348-K352 PolarHBondContact O-N 3.32Å; Y348-K352 VanDerWaalsContact OH-CD 3.23Å; Y348-K352 WeakPolarHBondContact OH-CD 3.3Å; Y348-K352 PolarHBondContact OH-NZ 3.08Å; L349-K352 PolarHBondContact O-N 3.41Å; K350-K352 PolarHBondContact O-N 3.09Å; K352-Y355 PolarHBondContact O-N 3.47Å; K352-A356 WeakPolarHBondContact O-CB 3.41Å; K352-A356 PolarHBondContact O-N 3.44Å |
| 353 | E | 98.5 | Very high | 97.5 | Very high | 90 Ų | 90 | 45 Ų | 45 | 42% | 0.421 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -57.5 | -51.5 | 173.1 | -179.7 | -160 | 153.8 | 0 | 0 | 111 | L349 K350 Y355 A356 N357 | L349-E353 WeakPolarHBondContact O-CB 3.43Å; L349-E353 PolarHBondContact O-N 2.91Å; K350-E353 WeakPolarHBondContact CE-OE2 3.42Å; K350-E353 IonicContact NZ-OE1 3.52Å; K350-E353 IonicContact NZ-OE2 3.33Å; K350-E353 PolarHBondContact NZ-OE2 3.02Å; K350-E353 WeakPolarHBondContact O-CB 3.37Å; K350-E353 PolarHBondContact O-N 3.03Å; E353-Y355 PolarHBondContact O-N 3.06Å; E353-A356 PolarHBondContact O-N 2.97Å; E353-N357 WeakPolarHBondContact O-CB 2.98Å; E353-N357 PolarHBondContact O-N 3.46Å; E353-N357 VanDerWaalsContact O-N 3.13Å; E353-N357 PolarHBondContact O-ND2 3.07Å; E353-N357 VanDerWaalsContact O-ND2 3.11Å |
| 354 | L | 98.6 | Very high | 97.3 | Very high | 7 Ų | 7 | 46.9 Ų | 46.9 | 4% | 0.037 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.1 | -40.4 | -179.5 | -70 | 177.1 | 0 | 0 | 0 | 112.2 | N189 R190 V224 V226 K350 A351 N357 A358 | N189-L354 HydrophobicContact CB-CB 4.18Å; N189-L354 HydrophobicContact CB-CD2 4.33Å; N189-L354 WeakPolarHBondContact CB-O 3.4Å; N189-L354 PolarHBondContact ND2-O 3.38Å; R190-L354 VanDerWaalsContact C-CD2 3.43Å; R190-L354 WeakPolarHBondContact O-CD2 3.2Å; V224-L354 HydrophobicContact CB-CD1 3.91Å; V224-L354 HydrophobicContact CG1-CD1 3.86Å; V224-L354 WeakPolarHBondContact O-CD1 3.45Å; V226-L354 HydrophobicContact CB-CB 4.14Å; V226-L354 HydrophobicContact CG2-CB 3.86Å; V226-L354 HydrophobicContact CG2-CD1 4.18Å; K350-L354 HydrophobicContact CD-CD1 4.15Å; K350-L354 HydrophobicContact CD-CG 4.13Å; K350-L354 HydrophobicContact CG-CD1 4.07Å; K350-L354 HydrophobicContact CG-CG 4.45Å; K350-L354 WeakPolarHBondContact O-CB 3.48Å; K350-L354 VanDerWaalsContact O-CG 3.27Å; K350-L354 WeakPolarHBondContact O-CG 3.28Å; K350-L354 PolarHBondContact O-N 2.83Å; A351-L354 PolarHBondContact O-N 2.85Å; L354-N357 CarbonylContact O-C 3.51Å; L354-N357 PolarHBondContact O-N 3Å; L354-A358 WeakPolarHBondContact O-CB 3.05Å; L354-A358 PolarHBondContact O-N 3.15Å |
| 355 | Y | 97.9 | Very high | 97.1 | Very high | 8 Ų | 8 | 48.1 Ų | 48.1 | 3% | 0.031 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.3 | -47.5 | 175.7 | -179.6 | -86.4 | 0 | 0 | 0 | 112 | V226 K228 G236 M239 F284 A351 K352 E353 N357 A358 | V226-Y355 HydrophobicContact CG1-CD2 4.39Å; K228-Y355 HydrophobicContact CB-CD2 3.72Å; K228-Y355 HydrophobicContact CB-CE2 3.61Å; K228-Y355 HydrophobicContact CD-CD1 4.37Å; K228-Y355 HydrophobicContact CD-CD2 4.13Å; K228-Y355 HydrophobicContact CD-CE1 4.01Å; K228-Y355 HydrophobicContact CD-CE2 3.8Å; K228-Y355 HydrophobicContact CD-CG 4.39Å; K228-Y355 WeakPolarHBondContact CD-O 3.48Å; K228-Y355 HydrophobicContact CG-CD2 3.96Å; K228-Y355 HydrophobicContact CG-CE1 4.48Å; K228-Y355 HydrophobicContact CG-CE2 3.41Å; K228-Y355 VanDerWaalsContact CG-CE2 3.41Å; G236-Y355 WeakPolarHBondContact CA-OH 3.47Å; M239-Y355 HydrophobicContact CB-CD2 3.87Å; M239-Y355 HydrophobicContact CB-CE2 3.98Å; M239-Y355 HydrophobicContact CG-CD2 3.71Å; M239-Y355 HydrophobicContact CG-CE2 4.29Å; M239-Y355 HydrophobicContact SD-CD2 3.78Å; M239-Y355 HydrophobicContact SD-CG 4.26Å; F284-Y355 HydrophobicContact CE2-CE2 4.29Å; F284-Y355 HydrophobicContact CZ-CE2 4.06Å; A351-Y355 WeakPolarHBondContact O-CB 3.27Å; A351-Y355 PolarHBondContact O-N 3.16Å; K352-Y355 PolarHBondContact O-N 3.47Å; E353-Y355 PolarHBondContact O-N 3.06Å; Y355-N357 VanDerWaalsContact C-N 3.28Å; Y355-N357 PolarHBondContact O-N 3.12Å; Y355-A358 PolarHBondContact O-N 2.87Å |
| 356 | A | 96.6 | Very high | 97 | Very high | 70 Ų | 70 | 45.3 Ų | 45.3 | 58% | 0.579 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -63.3 | -36.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | K352 E353 | K352-A356 WeakPolarHBondContact O-CB 3.41Å; K352-A356 PolarHBondContact O-N 3.44Å; E353-A356 PolarHBondContact O-N 2.97Å |
| 357 | N | 97.2 | Very high | 97 | Very high | 97 Ų | 97 | 45.2 Ų | 45.2 | 52% | 0.519 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | 6.2 | -176.3 | -64.1 | -40 | 0 | 0 | 0 | 114.3 | N189 E353 L354 Y355 V359 | N189-N357 PolarHBondContact ND2-O 3.44Å; E353-N357 WeakPolarHBondContact O-CB 2.98Å; E353-N357 PolarHBondContact O-N 3.46Å; E353-N357 VanDerWaalsContact O-N 3.13Å; E353-N357 PolarHBondContact O-ND2 3.07Å; E353-N357 VanDerWaalsContact O-ND2 3.11Å; L354-N357 CarbonylContact O-C 3.51Å; L354-N357 PolarHBondContact O-N 3Å; Y355-N357 VanDerWaalsContact C-N 3.28Å; Y355-N357 PolarHBondContact O-N 3.12Å; N357-V359 PolarHBondContact O-N 2.76Å; N357-V359 VanDerWaalsContact O-N 3.15Å |
| 358 | A | 96.3 | Very high | 97 | Very high | 7 Ų | 7 | 46.2 Ų | 46.2 | 6% | 0.058 | 26% | 0.255 | C | S | . | . | trans | -72.5 | 107.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111 | N189 K228 L354 Y355 | N189-A358 HydrophobicContact CB-CB 3.88Å; K228-A358 HydrophobicContact CB-CB 4.2Å; K228-A358 HydrophobicContact CD-CB 4.24Å; L354-A358 WeakPolarHBondContact O-CB 3.05Å; L354-A358 PolarHBondContact O-N 3.15Å; Y355-A358 PolarHBondContact O-N 2.87Å | ||
| 359 | V | 94.4 | Very high | 97 | Very high | 126 Ų | 126 | 45.6 Ų | 45.6 | 76% | 0.764 | 25% | 0.253 | S | S | * | . | trans | -118.8 | -14.9 | -179.5 | -63 | 0 | 0 | 0 | 0 | 113.6 | N357 E361 | N357-V359 PolarHBondContact O-N 2.76Å; N357-V359 VanDerWaalsContact O-N 3.15Å; V359-E361 PolarHBondContact O-N 3.05Å | ||
| 360 | E | 95.5 | Very high | 97 | Very high | 96 Ų | 96 | 42.4 Ų | 42.4 | 45% | 0.449 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 104.8 | 179.1 | -169.4 | -174.4 | -176.2 | 0 | 0 | 109.9 | Y187 R188 | Y187-E360 CarbonylContact C-O 3.51Å; Y187-E360 VanDerWaalsContact CA-O 3.29Å; Y187-E360 WeakPolarHBondContact CA-O 3.45Å; R188-E360 HydrophobicContact CG-CB 4.14Å; R188-E360 HydrophobicContact CG-CG 4.26Å; R188-E360 WeakPolarHBondContact CG-OE2 3.48Å; R188-E360 IonicContact CZ-OE1 3.67Å; R188-E360 VanDerWaalsContact CZ-OE1 3.3Å; R188-E360 IonicContact CZ-OE2 3.36Å; R188-E360 PolarHBondContact N-O 3.09Å; R188-E360 IonicContact NE-OE1 2.65Å; R188-E360 PolarHBondContact NE-OE1 3.25Å; R188-E360 IonicContact NE-OE2 3.36Å; R188-E360 PolarHBondContact NE-OE2 2.93Å; R188-E360 IonicContact NH2-OE1 3.44Å; R188-E360 PolarHBondContact NH2-OE1 2.85Å; R188-E360 IonicContact NH2-OE2 2.85Å |
| 361 | E | 95.6 | Very high | 96.9 | Very high | 52 Ų | 52 | 40.8 Ų | 40.8 | 24% | 0.243 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 131.5 | 179.5 | -165.5 | 177.8 | 175.1 | 0 | 0 | 111.7 | R185 I186 Y187 V359 T363 | R185-E361 VanDerWaalsContact CD-OE1 3.3Å; R185-E361 WeakPolarHBondContact CD-OE1 3.24Å; R185-E361 IonicContact CZ-OE1 3.64Å; R185-E361 IonicContact NE-OE1 3.68Å; R185-E361 IonicContact NH1-OE1 2.92Å; R185-E361 PolarHBondContact NH1-OE1 2.71Å; R185-E361 IonicContact NH1-OE2 3.37Å; I186-E361 CarbonylContact O-C 3.48Å; I186-E361 WeakPolarHBondContact O-CA 3.47Å; Y187-E361 HydrophobicContact CD1-CB 3.96Å; Y187-E361 HydrophobicContact CD1-CG 4.37Å; Y187-E361 HydrophobicContact CE1-CB 3.79Å; Y187-E361 HydrophobicContact CE1-CG 4.02Å; V359-E361 PolarHBondContact O-N 3.05Å; E361-T363 HydrophobicContact CB-CG2 4.46Å; E361-T363 HydrophobicContact CG-CG2 3.92Å; E361-T363 PolarHBondContact O-N 3.41Å |
| 362 | V | 95.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.234 | C | C | . | . | trans | -86.1 | 106.4 | 174.4 | 180 | 0 | 0 | 0 | 0 | 108.5 | Y47 I186 R188 L227 V472 V475 | Y47-V362 VanDerWaalsContact CE2-O 3.23Å; Y47-V362 WeakPolarHBondContact CE2-O 3.28Å; Y47-V362 PolarHBondContact OH-O 2.9Å; I186-V362 HydrophobicContact CB-CB 4.12Å; I186-V362 HydrophobicContact CG2-CB 4Å; I186-V362 HydrophobicContact CG2-CG2 4.07Å; I186-V362 PolarHBondContact O-N 2.78Å; R188-V362 HydrophobicContact CB-CG2 3.75Å; R188-V362 HydrophobicContact CG-CG2 3.9Å; L227-V362 HydrophobicContact CD2-CG2 4.22Å; V362-V472 HydrophobicContact CG1-CG1 4.37Å; V362-V472 WeakPolarHBondContact CG1-O 3.39Å; V362-V475 HydrophobicContact CG1-CB 4.45Å; V362-V475 HydrophobicContact CG1-CG2 3.89Å; V362-V475 HydrophobicContact CG2-CG2 3.82Å | ||
| 363 | T | 94.5 | Very high | 97 | Very high | 71 Ų | 71 | 38.7 Ų | 38.7 | 44% | 0.436 | 22% | 0.22 | S | C | . | . | trans | -119.5 | 158.6 | 179.1 | 57.5 | 0 | 0 | 0 | 0 | 111.2 | Y47 E361 G473 S474 | Y47-T363 WeakPolarHBondContact OH-CA 3.36Å; E361-T363 HydrophobicContact CB-CG2 4.46Å; E361-T363 HydrophobicContact CG-CG2 3.92Å; E361-T363 PolarHBondContact O-N 3.41Å; T363-G473 CarbonylContact O-C 3.58Å; T363-G473 WeakPolarHBondContact O-CA 3.43Å; T363-S474 PolarHBondContact O-N 2.89Å | ||
| 364 | G | 93.3 | Very high | 97 | Very high | 38 Ų | 38 | 37.1 Ų | 37.1 | 39% | 0.392 | 22% | 0.215 | S | C | . | . | S | Bend | trans | 120.9 | -177.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y47 | Y47-G364 WeakPolarHBondContact CE1-O 3.28Å; Y47-G364 PolarHBondContact OH-N 3.07Å; Y47-G364 PolarHBondContact OH-O 2.88Å; Y47-G364 VanDerWaalsContact OH-O 3.07Å |
| 365 | P | 95.1 | Very high | 97 | Very high | 27 Ų | 27 | 36.8 Ų | 36.8 | 18% | 0.175 | 21% | 0.213 | C | C | . | . | trans | -70.3 | 151.3 | -175.7 | 24.8 | -31.3 | 0 | 0 | 0 | 113.5 | R367 G473 T505 F506 | P365-R367 HydrophobicContact CB-CG 4.45Å; P365-G473 PolarHBondContact O-N 2.69Å; P365-T505 HydrophobicContact CG-CG2 4Å; P365-F506 HydrophobicContact CG-CZ 4.29Å | ||
| 366 | V | 97.4 | Very high | 97 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 130.5 | 159.5 | 171.4 | 0 | 0 | 0 | 0 | 108.7 | Y47 I89 D91 R94 V96 T471 | Y47-V366 HydrophobicContact CD1-CG2 4.43Å; Y47-V366 HydrophobicContact CE1-CG2 4.29Å; I89-V366 HydrophobicContact CG2-CG2 4.1Å; D91-V366 HydrophobicContact CB-CB 4.16Å; D91-V366 HydrophobicContact CB-CG2 3.93Å; D91-V366 PolarHBondContact OD2-N 3.42Å; R94-V366 HydrophobicContact CB-CB 4.3Å; R94-V366 HydrophobicContact CB-CG1 4.12Å; R94-V366 WeakPolarHBondContact CD-O 3.07Å; V96-V366 HydrophobicContact CB-CG1 4.19Å; V96-V366 HydrophobicContact CG1-CG1 3.49Å; V96-V366 VanDerWaalsContact CG1-CG1 3.49Å; V96-V366 HydrophobicContact CG2-CG1 3.79Å; V366-T471 VanDerWaalsContact CA-O 3.28Å; V366-T471 WeakPolarHBondContact CA-O 3.37Å |
| 367 | R | 97.7 | Very high | 96.8 | Very high | 45 Ų | 45 | 37.3 Ų | 37.3 | 17% | 0.17 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 161.8 | 172.9 | -57.2 | -70.7 | -177 | -100.3 | 5.5 | 109.9 | R94 P365 I470 T471 F506 I561 D564 | R94-R367 VanDerWaalsContact CZ-CD 3.49Å; P365-R367 HydrophobicContact CB-CG 4.45Å; R367-I470 CarbonylContact O-C 3.58Å; R367-I470 WeakPolarHBondContact O-CA 3.44Å; R367-T471 VanDerWaalsContact CB-OG1 3.27Å; R367-T471 WeakPolarHBondContact CB-OG1 3.42Å; R367-T471 PolarHBondContact N-O 3.39Å; R367-T471 PolarHBondContact N-OG1 3.31Å; R367-T471 PolarHBondContact O-N 3.35Å; R367-F506 HydrophobicContact CG-CZ 4.04Å; R367-I561 HydrophobicContact CB-CG2 3.78Å; R367-I561 HydrophobicContact CG-CG2 4.19Å; R367-D564 IonicContact NE-OD1 3.19Å; R367-D564 PolarHBondContact NE-OD1 3.09Å |
| 368 | F | 98.3 | Very high | 96.9 | Very high | 21 Ų | 21 | 33.2 Ų | 33.2 | 9% | 0.092 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 152.8 | 174.2 | 50.2 | -102.5 | 0 | 0 | 0 | 109.7 | R94 V96 D129 N130 I469 I470 V566 | R94-F368 HydrophobicContact CB-CE1 4.11Å; R94-F368 HydrophobicContact CG-CE1 4.47Å; V96-F368 HydrophobicContact CG1-CB 4.2Å; V96-F368 HydrophobicContact CG1-CD1 3.64Å; V96-F368 HydrophobicContact CG1-CG 4.36Å; D129-F368 HydrophobicContact CB-CD2 3.88Å; D129-F368 HydrophobicContact CB-CE2 4.16Å; D129-F368 WeakPolarHBondContact O-CB 3.29Å; D129-F368 WeakPolarHBondContact OD2-CE2 3.34Å; N130-F368 HydrophobicContact CB-CD1 3.7Å; N130-F368 HydrophobicContact CB-CD2 4.33Å; N130-F368 HydrophobicContact CB-CE1 3.78Å; N130-F368 HydrophobicContact CB-CE2 4.47Å; N130-F368 HydrophobicContact CB-CG 3.98Å; N130-F368 HydrophobicContact CB-CZ 4.19Å; F368-I469 CarbonylContact C-O 3.5Å; F368-I469 VanDerWaalsContact CA-O 3.24Å; F368-I469 WeakPolarHBondContact CA-O 3.46Å; F368-I470 HydrophobicContact CB-CG2 3.92Å; F368-V566 WeakPolarHBondContact O-CG1 3.35Å |
| 369 | A | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 142 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109 | Q468 I469 L557 I561 V566 L569 | A369-Q468 VanDerWaalsContact O-CA 3.31Å; A369-Q468 WeakPolarHBondContact O-CA 3.26Å; A369-I469 PolarHBondContact N-O 2.84Å; A369-I469 PolarHBondContact O-N 3.38Å; A369-L557 HydrophobicContact CB-CB 4.21Å; A369-L557 HydrophobicContact CB-CD2 4.35Å; A369-L557 HydrophobicContact CB-CG 4.11Å; A369-I561 HydrophobicContact CB-CD1 3.78Å; A369-I561 HydrophobicContact CB-CG1 3.73Å; A369-V566 HydrophobicContact CB-CG1 3.8Å; A369-V566 HydrophobicContact CB-CG2 4.01Å; A369-L569 HydrophobicContact CB-CD1 4.14Å |
| 370 | H | 98.8 | Very high | 96.9 | Very high | 13 Ų | 13 | 31.7 Ų | 31.7 | 6% | 0.06 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 148.1 | 178.5 | 167.3 | -78.3 | 0 | 0 | 0 | 109.4 | H128 D129 W372 D466 V467 Q468 | H128-H370 AromaticContact CD2-CE1 3.72Å; H128-H370 AromaticContact CD2-CG 3.87Å; H128-H370 AromaticContact CD2-ND1 3.32Å; H128-H370 PolarHBondContact CD2-ND1 3.01Å; H128-H370 VanDerWaalsContact CD2-ND1 3.32Å; D129-H370 HydrophobicContact CB-CB 3.97Å; H370-W372 AromaticContact CE1-CD1 3.65Å; H370-W372 AromaticContact CE1-CD2 3.71Å; H370-W372 AromaticContact CE1-CE2 3.54Å; H370-W372 AromaticContact CE1-CG 3.79Å; H370-W372 AromaticContact CE1-NE1 3.47Å; H370-W372 PolarHBondContact CE1-NE1 3.07Å; H370-W372 AromaticContact NE2-CD1 3.86Å; H370-W372 AromaticContact NE2-NE1 3.62Å; H370-D466 IonicContact CD2-OD1 2.77Å; H370-D466 IonicContact CE1-OD1 3.91Å; H370-D466 IonicContact NE2-OD1 2.76Å; H370-D466 PolarHBondContact NE2-OD1 3.18Å; H370-V467 VanDerWaalsContact CA-O 3.31Å; H370-V467 WeakPolarHBondContact CA-O 3.35Å; H370-Q468 HydrophobicContact CB-CB 4.36Å; H370-Q468 HydrophobicContact CB-CG 4.21Å |
| 371 | Q | 98.6 | Very high | 96.9 | Very high | 7 Ų | 7 | 33 Ų | 33 | 3% | 0.033 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 147.6 | 164.1 | -61.1 | -175.1 | -61.3 | 0 | 0 | 109.7 | V373 V467 L557 P570 | Q371-V373 HydrophobicContact CB-CG2 4.22Å; Q371-V467 HydrophobicContact CB-CG2 3.92Å; Q371-V467 PolarHBondContact N-O 3.36Å; Q371-V467 PolarHBondContact O-N 2.75Å; Q371-L557 HydrophobicContact CG-CD1 4.16Å; Q371-P570 WeakPolarHBondContact CG-O 3.44Å; Q371-P570 VanDerWaalsContact NE2-CD 3.27Å; Q371-P570 PolarHBondContact NE2-O 3.5Å |
| 372 | W | 98.8 | Very high | 96.6 | Very high | 26 Ų | 26 | 34.8 Ų | 34.8 | 10% | 0.098 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 131.6 | 157.1 | -67.6 | -57.2 | 0 | 0 | 0 | 109.8 | H128 H370 I464 D466 V571 G572 P573 E574 | H128-W372 HydrophobicContact CB-CZ2 4.1Å; H128-W372 AromaticContact ND1-CH2 3.99Å; H370-W372 AromaticContact CE1-CD1 3.65Å; H370-W372 AromaticContact CE1-CD2 3.71Å; H370-W372 AromaticContact CE1-CE2 3.54Å; H370-W372 AromaticContact CE1-CG 3.79Å; H370-W372 AromaticContact CE1-NE1 3.47Å; H370-W372 PolarHBondContact CE1-NE1 3.07Å; H370-W372 AromaticContact NE2-CD1 3.86Å; H370-W372 AromaticContact NE2-NE1 3.62Å; W372-I464 HydrophobicContact CB-CG2 3.77Å; W372-I464 HydrophobicContact CG-CG2 4.2Å; W372-D466 PolarHBondContact NE1-OD1 2.9Å; W372-D466 VanDerWaalsContact NE1-OD1 3.14Å; W372-V571 HydrophobicContact CE3-CG1 3.84Å; W372-V571 HydrophobicContact CZ3-CG1 3.78Å; W372-V571 PolarHBondContact N-O 3.24Å; W372-G572 WeakPolarHBondContact O-CA 3.33Å; W372-P573 WeakPolarHBondContact CB-O 3.39Å; W372-P573 WeakPolarHBondContact O-CD 3.48Å; W372-E574 HydrophobicContact CE3-CB 4.38Å; W372-E574 HydrophobicContact CH2-CG 4.15Å; W372-E574 HydrophobicContact CZ3-CB 4.27Å; W372-E574 HydrophobicContact CZ3-CG 4.15Å |
| 373 | V | 98.7 | Very high | 96.3 | Very high | 11 Ų | 11 | 38.6 Ų | 38.6 | 7% | 0.067 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 127.4 | -176.3 | -179.1 | 0 | 0 | 0 | 0 | 108.9 | Q371 M375 V378 I464 V465 V467 K553 | Q371-V373 HydrophobicContact CB-CG2 4.22Å; V373-M375 HydrophobicContact CB-SD 4.48Å; V373-M375 HydrophobicContact CG1-CG 4.27Å; V373-M375 HydrophobicContact CG1-SD 3.84Å; V373-M375 PolarHBondContact O-N 3.21Å; V373-V378 HydrophobicContact CG1-CG2 3.6Å; V373-I464 WeakPolarHBondContact O-CA 3.25Å; V373-V465 PolarHBondContact N-O 3.3Å; V373-V465 PolarHBondContact O-N 3.25Å; V373-V467 HydrophobicContact CG2-CG1 4.33Å; V373-V467 HydrophobicContact CG2-CG2 3.66Å; V373-K553 HydrophobicContact CG1-CG 4.35Å; V373-K553 HydrophobicContact CG2-CD 4.23Å; V373-K553 HydrophobicContact CG2-CG 4.24Å |
| 374 | N | 98.6 | Very high | 95.9 | Very high | 57 Ų | 57 | 41.9 Ų | 41.9 | 31% | 0.305 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 95.6 | 165.2 | -175 | -1.6 | 0 | 0 | 0 | 109.3 | T376 A377 V378 Q463 I464 P573 | N374-T376 PolarHBondContact O-N 3.18Å; N374-T376 PolarHBondContact OD1-N 3.47Å; N374-T376 VanDerWaalsContact OD1-N 3.15Å; N374-T376 PolarHBondContact OD1-OG1 2.83Å; N374-A377 PolarHBondContact O-N 3.05Å; N374-V378 WeakPolarHBondContact O-CG2 3.31Å; N374-Q463 CarbonylContact C-O 3.49Å; N374-Q463 WeakPolarHBondContact CA-O 3.41Å; N374-Q463 PolarHBondContact OD1-O 3.19Å; N374-I464 HydrophobicContact CB-CD1 3.68Å; N374-P573 HydrophobicContact CB-CG 4.25Å |
| 375 | M | 98.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -6.2 | -176.4 | -76.6 | -63.5 | -66.3 | 0 | 0 | 113.5 | V373 A377 V378 T390 Q463 V465 Y542 T546 A549 Y550 | V373-M375 HydrophobicContact CB-SD 4.48Å; V373-M375 HydrophobicContact CG1-CG 4.27Å; V373-M375 HydrophobicContact CG1-SD 3.84Å; V373-M375 PolarHBondContact O-N 3.21Å; M375-A377 VanDerWaalsContact C-N 3.32Å; M375-A377 PolarHBondContact O-N 2.75Å; M375-V378 HydrophobicContact SD-CG2 3.99Å; M375-T390 HydrophobicContact CE-CG2 4.37Å; M375-T390 WeakPolarHBondContact O-CB 3.44Å; M375-T390 PolarHBondContact O-OG1 3.39Å; M375-Q463 PolarHBondContact N-O 3.04Å; M375-V465 HydrophobicContact CB-CG2 3.98Å; M375-V465 HydrophobicContact CG-CB 3.73Å; M375-V465 HydrophobicContact CG-CG1 4.4Å; M375-V465 HydrophobicContact CG-CG2 3.62Å; M375-Y542 HydrophobicContact CB-CD1 3.91Å; M375-Y542 HydrophobicContact CB-CD2 3.91Å; M375-Y542 HydrophobicContact CB-CE1 3.77Å; M375-Y542 HydrophobicContact CB-CE2 3.75Å; M375-Y542 HydrophobicContact CB-CG 3.98Å; M375-Y542 HydrophobicContact CE-CD2 3.93Å; M375-Y542 HydrophobicContact CE-CE2 4.47Å; M375-Y542 HydrophobicContact CE-CG 4.43Å; M375-Y542 HydrophobicContact CG-CD2 4.45Å; M375-Y542 HydrophobicContact CG-CE2 4.19Å; M375-T546 HydrophobicContact CE-CG2 4.47Å; M375-A549 HydrophobicContact CE-CB 4.02Å; M375-Y550 HydrophobicContact CE-CD1 4.29Å; M375-Y550 HydrophobicContact CE-CD2 4.29Å; M375-Y550 HydrophobicContact CE-CE1 3.88Å; M375-Y550 HydrophobicContact CE-CE2 3.9Å; M375-Y550 HydrophobicContact CE-CG 4.48Å; M375-Y550 HydrophobicContact SD-CE1 4.07Å |
| 376 | T | 97.8 | Very high | 95.6 | Very high | 24 Ų | 24 | 49.9 Ų | 49.9 | 15% | 0.147 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -7.4 | 179.1 | 75.8 | 0 | 0 | 0 | 0 | 114.4 | N374 C391 Q463 | N374-T376 PolarHBondContact O-N 3.18Å; N374-T376 PolarHBondContact OD1-N 3.47Å; N374-T376 VanDerWaalsContact OD1-N 3.15Å; N374-T376 PolarHBondContact OD1-OG1 2.83Å; T376-C391 WeakPolarHBondContact CA-O 3.36Å; T376-Q463 HydrophobicContact CG2-CB 3.75Å; T376-Q463 HydrophobicContact CG2-CG 3.72Å |
| 377 | A | 93.6 | Very high | 95.5 | Very high | 65 Ų | 65 | 53.7 Ų | 53.7 | 54% | 0.537 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -149.6 | 33.7 | -171.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | N374 M375 T379 T390 | N374-A377 PolarHBondContact O-N 3.05Å; M375-A377 VanDerWaalsContact C-N 3.32Å; M375-A377 PolarHBondContact O-N 2.75Å; A377-T379 PolarHBondContact O-N 3.1Å; A377-T390 PolarHBondContact N-OG1 3.49Å |
| 378 | V | 97.9 | Very high | 95.5 | Very high | 11 Ų | 11 | 52.1 Ų | 52.1 | 7% | 0.067 | 29% | 0.288 | C | S | . | . | trans | -81 | 118.3 | 176.4 | -178.3 | 0 | 0 | 0 | 0 | 108.8 | V373 N374 M375 V380 S389 T390 A549 | V373-V378 HydrophobicContact CG1-CG2 3.6Å; N374-V378 WeakPolarHBondContact O-CG2 3.31Å; M375-V378 HydrophobicContact SD-CG2 3.99Å; V378-V380 HydrophobicContact CG1-CG2 4.09Å; V378-S389 CarbonylContact O-C 3.51Å; V378-S389 VanDerWaalsContact O-CA 3.24Å; V378-S389 WeakPolarHBondContact O-CA 3.32Å; V378-T390 HydrophobicContact CB-CG2 4.1Å; V378-T390 PolarHBondContact N-OG1 3.25Å; V378-T390 PolarHBondContact O-N 3.38Å; V378-A549 HydrophobicContact CB-CB 4.04Å; V378-A549 HydrophobicContact CG1-CB 3.8Å | ||
| 379 | T | 97.1 | Very high | 95.4 | Very high | 89 Ų | 89 | 53.8 Ų | 53.8 | 55% | 0.546 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 129 | 176.5 | -58.3 | 0 | 0 | 0 | 0 | 110 | A377 T387 V388 | A377-T379 PolarHBondContact O-N 3.1Å; T379-T387 HydrophobicContact CG2-CG2 3.2Å; T379-V388 CarbonylContact C-O 3.51Å; T379-V388 WeakPolarHBondContact CA-O 3.47Å |
| 380 | V | 95.7 | Very high | 95.4 | Very high | 13 Ų | 13 | 54.1 Ų | 54.1 | 8% | 0.079 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 122.7 | 179.3 | -172.7 | 0 | 0 | 0 | 0 | 109.7 | V378 I382 T387 V388 T548 H552 | V378-V380 HydrophobicContact CG1-CG2 4.09Å; V380-I382 HydrophobicContact CG1-CD1 4.3Å; V380-I382 PolarHBondContact O-N 2.71Å; V380-T387 WeakPolarHBondContact O-CA 3.36Å; V380-V388 HydrophobicContact CB-CG2 4.18Å; V380-V388 PolarHBondContact N-O 3.46Å; V380-V388 PolarHBondContact O-N 3.27Å; V380-T548 HydrophobicContact CB-CG2 4.08Å; V380-T548 HydrophobicContact CG1-CG2 3.97Å; V380-T548 HydrophobicContact CG2-CG2 4.3Å; V380-H552 HydrophobicContact CG1-CB 4.07Å; V380-H552 HydrophobicContact CG2-CB 3.91Å |
| 381 | K | 94.6 | Very high | 95.4 | Very high | 123 Ų | 123 | 53.6 Ų | 53.6 | 54% | 0.535 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 108 | 171.6 | -173 | 176 | 175.4 | -168.3 | 0 | 108.9 | N383 D384 | K381-N383 WeakPolarHBondContact CE-O 3.4Å; K381-N383 WeakPolarHBondContact CG-O 3.31Å; K381-D384 VanDerWaalsContact CE-CA 3.41Å; K381-D384 WeakPolarHBondContact CE-OD1 3.29Å; K381-D384 IonicContact NZ-OD1 3.73Å; K381-D384 PolarHBondContact NZ-OD1 2.82Å |
| 382 | I | 88.4 | Confident | 95.4 | Very high | 89 Ų | 89 | 57.4 Ų | 57.4 | 46% | 0.456 | 32% | 0.319 | S | S | . | . | trans | -74.7 | -42.7 | 179.4 | -60.3 | -60.4 | 0 | 0 | 0 | 110.5 | V380 H386 V388 T548 | V380-I382 HydrophobicContact CG1-CD1 4.3Å; V380-I382 PolarHBondContact O-N 2.71Å; I382-H386 PolarHBondContact N-O 3Å; I382-V388 HydrophobicContact CD1-CG2 3.98Å; I382-V388 HydrophobicContact CG1-CG1 4.08Å; I382-V388 HydrophobicContact CG1-CG2 3.92Å; I382-T548 HydrophobicContact CD1-CG2 3.49Å; I382-T548 VanDerWaalsContact CD1-CG2 3.49Å | ||
| 383 | N | 89.4 | Confident | 95.4 | Very high | 80 Ų | 80 | 56.1 Ų | 56.1 | 43% | 0.428 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -152.3 | -174.9 | 175.1 | 64 | 39 | 0 | 0 | 0 | 109.7 | K381 T385 H386 | K381-N383 WeakPolarHBondContact CE-O 3.4Å; K381-N383 WeakPolarHBondContact CG-O 3.31Å; N383-T385 PolarHBondContact O-N 3.06Å; N383-T385 VanDerWaalsContact O-N 3.17Å; N383-T385 PolarHBondContact OD1-N 3.35Å; N383-T385 PolarHBondContact OD1-OG1 3.17Å; N383-H386 PolarHBondContact N-O 2.94Å; N383-H386 PolarHBondContact O-N 3.25Å; N383-H386 VanDerWaalsContact OD1-CB 3.26Å; N383-H386 WeakPolarHBondContact OD1-CB 3.18Å; N383-H386 PolarHBondContact OD1-N 2.78Å |
| 384 | D | 87.7 | Confident | 95.4 | Very high | 140 Ų | 140 | 55.6 Ų | 55.6 | 75% | 0.749 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -61.6 | -24.5 | -175.2 | -74.2 | -37.7 | 0 | 0 | 0 | 115.8 | K381 | K381-D384 VanDerWaalsContact CE-CA 3.41Å; K381-D384 WeakPolarHBondContact CE-OD1 3.29Å; K381-D384 IonicContact NZ-OD1 3.73Å; K381-D384 PolarHBondContact NZ-OD1 2.82Å |
| 385 | T | 90.1 | Very high | 95.3 | Very high | 137 Ų | 137 | 52.9 Ų | 52.9 | 84% | 0.84 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -113.3 | -9.4 | -175.2 | 57.8 | 0 | 0 | 0 | 0 | 113.5 | N383 | N383-T385 PolarHBondContact O-N 3.06Å; N383-T385 VanDerWaalsContact O-N 3.17Å; N383-T385 PolarHBondContact OD1-N 3.35Å; N383-T385 PolarHBondContact OD1-OG1 3.17Å |
| 386 | H | 92.3 | Very high | 95.3 | Very high | 97 Ų | 97 | 52.9 Ų | 52.9 | 45% | 0.449 | 30% | 0.296 | S | S | . | . | trans | -128.7 | 116.3 | -173.2 | -164 | 65.7 | 0 | 0 | 0 | 111.9 | I382 N383 V388 | I382-H386 PolarHBondContact N-O 3Å; N383-H386 PolarHBondContact N-O 2.94Å; N383-H386 PolarHBondContact O-N 3.25Å; N383-H386 VanDerWaalsContact OD1-CB 3.26Å; N383-H386 WeakPolarHBondContact OD1-CB 3.18Å; N383-H386 PolarHBondContact OD1-N 2.78Å; H386-V388 VanDerWaalsContact NE2-CG1 3.33Å; H386-V388 WeakPolarHBondContact NE2-CG1 3.37Å | ||
| 387 | T | 95.3 | Very high | 95.2 | Very high | 80 Ų | 80 | 52 Ų | 52 | 49% | 0.491 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 134.6 | 175.4 | -62.7 | 0 | 0 | 0 | 0 | 108.4 | T379 V380 | T379-T387 HydrophobicContact CG2-CG2 3.2Å; V380-T387 WeakPolarHBondContact O-CA 3.36Å |
| 388 | V | 96.1 | Very high | 95.3 | Very high | 11 Ų | 11 | 49 Ų | 49 | 7% | 0.067 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 157.2 | 179 | -58.9 | 0 | 0 | 0 | 0 | 109.9 | T379 V380 I382 H386 H545 T548 | T379-V388 CarbonylContact C-O 3.51Å; T379-V388 WeakPolarHBondContact CA-O 3.47Å; V380-V388 HydrophobicContact CB-CG2 4.18Å; V380-V388 PolarHBondContact N-O 3.46Å; V380-V388 PolarHBondContact O-N 3.27Å; I382-V388 HydrophobicContact CD1-CG2 3.98Å; I382-V388 HydrophobicContact CG1-CG1 4.08Å; I382-V388 HydrophobicContact CG1-CG2 3.92Å; H386-V388 VanDerWaalsContact NE2-CG1 3.33Å; H386-V388 WeakPolarHBondContact NE2-CG1 3.37Å; V388-H545 HydrophobicContact CB-CB 4.4Å; V388-H545 HydrophobicContact CG2-CB 4.12Å; V388-T548 HydrophobicContact CG2-CG2 4.04Å |
| 389 | S | 97.1 | Very high | 95.2 | Very high | 57 Ų | 57 | 50.5 Ų | 50.5 | 40% | 0.399 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 156.5 | 175.2 | 60.5 | 0 | 0 | 0 | 0 | 111.9 | V378 | V378-S389 CarbonylContact O-C 3.51Å; V378-S389 VanDerWaalsContact O-CA 3.24Å; V378-S389 WeakPolarHBondContact O-CA 3.32Å |
| 390 | T | 98.6 | Very high | 95 | Very high | 6 Ų | 6 | 47.1 Ų | 47.1 | 4% | 0.037 | 25% | 0.252 | C | S | . | . | trans | -76.5 | 170 | 165.1 | 55.8 | 0 | 0 | 0 | 0 | 111.7 | M375 A377 V378 A549 | M375-T390 HydrophobicContact CE-CG2 4.37Å; M375-T390 WeakPolarHBondContact O-CB 3.44Å; M375-T390 PolarHBondContact O-OG1 3.39Å; A377-T390 PolarHBondContact N-OG1 3.49Å; V378-T390 HydrophobicContact CB-CG2 4.1Å; V378-T390 PolarHBondContact N-OG1 3.25Å; V378-T390 PolarHBondContact O-N 3.38Å; T390-A549 HydrophobicContact CG2-CB 3.44Å; T390-A549 VanDerWaalsContact CG2-CB 3.44Å | ||
| 391 | C | 98.6 | Very high | 94.9 | Very high | 3 Ų | 3 | 46.6 Ų | 46.6 | 2% | 0.02 | 25% | 0.249 | C | C | . | . | trans | -114.3 | 163 | -177.4 | -48.4 | 0 | 0 | 0 | 0 | 111.8 | T376 C441 H442 Y542 | T376-C391 WeakPolarHBondContact CA-O 3.36Å; C391-C441 WeakPolarHBondContact CA-SG 3.09Å; C391-C441 HydrophobicContact CB-CB 3.91Å; C391-C441 WeakPolarHBondContact CB-SG 3.2Å; C391-C441 WeakPolarHBondContact SG-CB 3.43Å; C391-C441 PolarHBondContact SG-O 2.98Å; C391-C441 CovalentContact SG-SG 2.03Å; C391-C441 PolarHBondContact SG-SG 3.43Å; C391-H442 VanDerWaalsContact CB-NE2 3.29Å; C391-H442 WeakPolarHBondContact CB-NE2 3.29Å; C391-Y542 PolarHBondContact N-O 3.2Å | ||
| 392 | K | 98.4 | Very high | 94.9 | Very high | 86 Ų | 86 | 41.2 Ų | 41.2 | 37% | 0.374 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -57.7 | 145.4 | 160.6 | -72.6 | -178.5 | -178.2 | 174.5 | 0 | 109.9 | A394 H442 E453 | K392-A394 PolarHBondContact O-N 3.43Å; K392-H442 PolarHBondContact O-NE2 2.87Å; K392-E453 HydrophobicContact CD-CG 4.07Å |
| 393 | P | 98.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 21% | 0.211 | C | C | . | . | trans | -63.5 | 130.8 | -171.9 | 21.6 | -32 | 0 | 0 | 0 | 112.7 | T451 G452 H461 I541 Y542 | P393-T451 CarbonylContact O-C 3.58Å; P393-T451 PolarHBondContact O-N 2.9Å; P393-T451 VanDerWaalsContact O-N 3.12Å; P393-T451 PolarHBondContact O-OG1 3.06Å; P393-G452 PolarHBondContact O-N 3.02Å; P393-H461 HydrophobicContact CB-CB 3.74Å; P393-H461 HydrophobicContact CG-CB 3.68Å; P393-I541 CarbonylContact C-O 3.54Å; P393-I541 WeakPolarHBondContact CA-O 3.06Å; P393-I541 HydrophobicContact CB-CB 4.05Å; P393-I541 HydrophobicContact CB-CD1 3.96Å; P393-I541 HydrophobicContact CB-CG1 4.16Å; P393-Y542 HydrophobicContact CB-CD1 4.24Å; P393-Y542 HydrophobicContact CB-CE1 3.97Å; P393-Y542 HydrophobicContact CG-CE1 4.25Å | ||
| 394 | A | 98.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | -145.7 | 143.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | K392 H442 K445 I447 F449 I541 | K392-A394 PolarHBondContact O-N 3.43Å; A394-H442 WeakPolarHBondContact CB-NE2 3.34Å; A394-K445 PolarHBondContact O-NZ 3.38Å; A394-I447 HydrophobicContact CB-CD1 4.22Å; A394-I447 HydrophobicContact CB-CG1 4.16Å; A394-I447 HydrophobicContact CB-CG2 4.02Å; A394-F449 CarbonylContact C-O 3.53Å; A394-F449 VanDerWaalsContact CA-O 3.26Å; A394-F449 WeakPolarHBondContact CA-O 3.26Å; A394-I541 PolarHBondContact N-O 2.94Å | ||
| 395 | L | 98 | Very high | 96 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 137.5 | 175.3 | -68.6 | 169 | 0 | 0 | 0 | 110.4 | L150 F399 L448 F449 T451 I541 | L150-L395 HydrophobicContact CD1-CD1 4.49Å; L150-L395 HydrophobicContact CD2-CD1 3.59Å; L395-F399 HydrophobicContact CB-CB 4.19Å; L395-F399 HydrophobicContact CB-CD1 4.3Å; L395-F399 HydrophobicContact CB-CG 4.17Å; L395-F399 HydrophobicContact CD1-CD1 3.91Å; L395-F399 HydrophobicContact CD1-CD2 4.14Å; L395-F399 HydrophobicContact CD1-CE1 3.83Å; L395-F399 HydrophobicContact CD1-CE2 4.06Å; L395-F399 HydrophobicContact CD1-CG 4.06Å; L395-F399 HydrophobicContact CD1-CZ 3.9Å; L395-F399 HydrophobicContact CD2-CB 4.36Å; L395-F399 HydrophobicContact CD2-CD2 3.81Å; L395-F399 HydrophobicContact CD2-CE2 4.27Å; L395-F399 HydrophobicContact CD2-CG 4.03Å; L395-F399 HydrophobicContact CG-CD2 4.46Å; L395-F399 HydrophobicContact CG-CG 4.32Å; L395-L448 PolarHBondContact O-N 3.14Å; L395-F449 HydrophobicContact CB-CB 4.36Å; L395-F449 HydrophobicContact CB-CD2 4.38Å; L395-F449 HydrophobicContact CD1-CD2 4.35Å; L395-F449 PolarHBondContact N-O 2.96Å; L395-F449 PolarHBondContact O-N 2.92Å; L395-F449 VanDerWaalsContact O-N 3.12Å; L395-T451 HydrophobicContact CD1-CG2 4.46Å; L395-I541 HydrophobicContact CD2-CG2 3.69Å; L395-I541 HydrophobicContact CG-CG2 4.34Å |
| 396 | G | 97.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 169.5 | -180 | 0 | 0 | 0 | 0 | 0 | 113.2 | S398 F399 P446 A538 | G396-S398 VanDerWaalsContact C-N 3.3Å; G396-S398 PolarHBondContact O-N 2.84Å; G396-F399 WeakPolarHBondContact O-CB 3.37Å; G396-F399 PolarHBondContact O-N 2.99Å; G396-P446 CarbonylContact C-O 3.52Å; G396-P446 WeakPolarHBondContact CA-O 3.37Å; G396-A538 PolarHBondContact N-O 2.86Å |
| 397 | H | 95.5 | Very high | 95.2 | Very high | 5 Ų | 5 | 18.2 Ų | 18.2 | 2% | 0.023 | 11% | 0.113 | C | C | . | . | G | 310 helix | trans | -52.9 | -45.3 | 175.9 | -82.5 | -130.8 | 0 | 0 | 0 | 112.6 | F399 A400 F412 A416 D420 D424 P446 | H397-F399 PolarHBondContact O-N 3.49Å; H397-A400 PolarHBondContact O-N 2.88Å; H397-F412 HydrophobicContact CB-CD1 3.96Å; H397-F412 HydrophobicContact CB-CE1 3.99Å; H397-F412 AromaticContact CG-CE1 3.91Å; H397-F412 AromaticContact ND1-CE1 3.56Å; H397-F412 VanDerWaalsContact O-CD1 3.31Å; H397-F412 WeakPolarHBondContact O-CD1 3.2Å; H397-A416 HydrophobicContact CB-CB 4.2Å; H397-D420 PolarHBondContact CE1-N 3.36Å; H397-D424 IonicContact CE1-OD1 3.34Å; H397-D424 IonicContact NE2-OD1 2.79Å; H397-D424 PolarHBondContact NE2-OD1 3.33Å; H397-P446 HydrophobicContact CB-CG 4.09Å; H397-P446 PolarHBondContact CD2-O 3.24Å; H397-P446 VanDerWaalsContact CD2-O 3.27Å; H397-P446 PolarHBondContact N-O 2.56Å |
| 398 | S | 96.5 | Very high | 94.4 | Very high | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.007 | 10% | 0.097 | C | C | . | . | G | 310 helix | trans | -67.7 | -5.5 | 179.9 | -62.8 | 0 | 0 | 0 | 0 | 115.2 | G396 A400 A401 T413 Q414 G415 A416 Q533 Y535 | G396-S398 VanDerWaalsContact C-N 3.3Å; G396-S398 PolarHBondContact O-N 2.84Å; S398-A400 VanDerWaalsContact C-N 3.29Å; S398-A401 WeakPolarHBondContact O-CB 3.29Å; S398-A401 PolarHBondContact O-N 3.11Å; S398-T413 PolarHBondContact OG-O 3.45Å; S398-Q414 WeakPolarHBondContact OG-CA 3.46Å; S398-G415 PolarHBondContact OG-N 2.84Å; S398-G415 VanDerWaalsContact OG-N 3.15Å; S398-A416 PolarHBondContact OG-N 2.68Å; S398-A416 VanDerWaalsContact OG-N 3.12Å; S398-Q533 WeakPolarHBondContact CB-O 3.48Å; S398-Q533 PolarHBondContact OG-O 3.33Å; S398-Q533 VanDerWaalsContact OG-O 3.07Å; S398-Y535 WeakPolarHBondContact O-CD2 3.47Å |
| 399 | F | 95.8 | Very high | 93.2 | Very high | 43 Ų | 43 | 18.9 Ų | 18.9 | 19% | 0.189 | 12% | 0.117 | C | C | . | . | G | 310 helix | trans | -61 | -41.4 | 165 | 164.8 | -101.9 | 0 | 0 | 0 | 110.8 | L395 G396 H397 A401 G402 F449 H522 Y535 | L395-F399 HydrophobicContact CB-CB 4.19Å; L395-F399 HydrophobicContact CB-CD1 4.3Å; L395-F399 HydrophobicContact CB-CG 4.17Å; L395-F399 HydrophobicContact CD1-CD1 3.91Å; L395-F399 HydrophobicContact CD1-CD2 4.14Å; L395-F399 HydrophobicContact CD1-CE1 3.83Å; L395-F399 HydrophobicContact CD1-CE2 4.06Å; L395-F399 HydrophobicContact CD1-CG 4.06Å; L395-F399 HydrophobicContact CD1-CZ 3.9Å; L395-F399 HydrophobicContact CD2-CB 4.36Å; L395-F399 HydrophobicContact CD2-CD2 3.81Å; L395-F399 HydrophobicContact CD2-CE2 4.27Å; L395-F399 HydrophobicContact CD2-CG 4.03Å; L395-F399 HydrophobicContact CG-CD2 4.46Å; L395-F399 HydrophobicContact CG-CG 4.32Å; G396-F399 WeakPolarHBondContact O-CB 3.37Å; G396-F399 PolarHBondContact O-N 2.99Å; H397-F399 PolarHBondContact O-N 3.49Å; F399-A401 PolarHBondContact O-N 2.8Å; F399-G402 PolarHBondContact O-N 3.38Å; F399-F449 HydrophobicContact CD1-CD2 4.44Å; F399-F449 HydrophobicContact CD1-CE2 4.38Å; F399-F449 HydrophobicContact CE1-CE2 4.35Å; F399-H522 AromaticContact CE2-CE1 3.85Å; F399-Y535 HydrophobicContact CD2-CE2 4.13Å; F399-Y535 VanDerWaalsContact O-CE2 3.25Å; F399-Y535 WeakPolarHBondContact O-CE2 3.45Å |
| 400 | A | 93.3 | Very high | 92.1 | Very high | 19 Ų | 19 | 20.8 Ų | 20.8 | 16% | 0.157 | 12% | 0.122 | C | C | . | . | G | 310 helix | trans | -75.6 | -5.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | H397 S398 G402 G408 F412 L448 | H397-A400 PolarHBondContact O-N 2.88Å; S398-A400 VanDerWaalsContact C-N 3.29Å; A400-G402 VanDerWaalsContact C-N 3.34Å; A400-G408 WeakPolarHBondContact O-CA 3.25Å; A400-F412 HydrophobicContact CB-CB 4.18Å; A400-F412 HydrophobicContact CB-CD1 4.2Å; A400-F412 HydrophobicContact CB-CD2 3.4Å; A400-F412 HydrophobicContact CB-CE1 4.41Å; A400-F412 HydrophobicContact CB-CE2 3.66Å; A400-F412 HydrophobicContact CB-CG 3.68Å; A400-F412 HydrophobicContact CB-CZ 4.15Å; A400-L448 HydrophobicContact CB-CD2 3.63Å |
| 401 | A | 93.4 | Very high | 91.1 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.008 | 15% | 0.15 | C | C | . | . | G | 310 helix | trans | -78.8 | -18.7 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | S398 F399 G408 F412 T413 Q414 | S398-A401 WeakPolarHBondContact O-CB 3.29Å; S398-A401 PolarHBondContact O-N 3.11Å; F399-A401 PolarHBondContact O-N 2.8Å; A401-G408 PolarHBondContact O-N 3.29Å; A401-F412 WeakPolarHBondContact CA-O 3.49Å; A401-F412 HydrophobicContact CB-CB 3.92Å; A401-F412 VanDerWaalsContact CB-O 3.26Å; A401-F412 WeakPolarHBondContact CB-O 3.04Å; A401-T413 VanDerWaalsContact CB-C 3.45Å; A401-Q414 HydrophobicContact CB-CG 3.87Å |
| 402 | G | 94.3 | Very high | 90.5 | Very high | 11 Ų | 11 | 26.6 Ų | 26.6 | 11% | 0.113 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 61.5 | -157.1 | -169 | 0 | 0 | 0 | 0 | 0 | 112.1 | F399 A400 G406 Q414 Y535 | F399-G402 PolarHBondContact O-N 3.38Å; A400-G402 VanDerWaalsContact C-N 3.34Å; G402-G406 WeakPolarHBondContact CA-O 3.48Å; G402-Q414 PolarHBondContact O-NE2 3.16Å; G402-Y535 WeakPolarHBondContact O-CD2 3.44Å |
| 403 | T | 96.1 | Very high | 90.1 | Very high | 14 Ų | 14 | 25.1 Ų | 25.1 | 9% | 0.086 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | -179.9 | 179 | 70.7 | 0 | 0 | 0 | 0 | 111 | D405 G406 G407 Y535 | T403-D405 PolarHBondContact O-N 3.17Å; T403-D405 PolarHBondContact OG1-N 3.41Å; T403-D405 VanDerWaalsContact OG1-N 3.14Å; T403-G406 PolarHBondContact N-O 2.81Å; T403-G406 CarbonylContact O-C 3.31Å; T403-G406 PolarHBondContact O-N 3.35Å; T403-G406 VanDerWaalsContact O-N 3.14Å; T403-G407 WeakPolarHBondContact O-CA 3.24Å; T403-G407 PolarHBondContact O-N 2.83Å; T403-G407 VanDerWaalsContact O-N 3.15Å; T403-Y535 HydrophobicContact CG2-CD1 3.29Å; T403-Y535 HydrophobicContact CG2-CD2 4.13Å; T403-Y535 HydrophobicContact CG2-CE1 3.83Å; T403-Y535 HydrophobicContact CG2-CG 3.46Å; T403-Y535 VanDerWaalsContact CG2-CG 3.46Å |
| 404 | I | 96.4 | Very high | 89.8 | Confident | 4 Ų | 4 | 25.2 Ų | 25.2 | 2% | 0.021 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -14.9 | 171.1 | 66.6 | -176.9 | 0 | 0 | 0 | 112.9 | R200 T297 P303 Q328 A329 | R200-I404 HydrophobicContact CB-CD1 3.57Å; R200-I404 HydrophobicContact CB-CG1 3.89Å; T297-I404 HydrophobicContact CG2-CD1 4.43Å; P303-I404 HydrophobicContact CB-CB 4Å; P303-I404 HydrophobicContact CB-CD1 4.02Å; P303-I404 HydrophobicContact CB-CG2 3.76Å; P303-I404 HydrophobicContact CG-CD1 3.99Å; P303-I404 HydrophobicContact CG-CG2 4.33Å; Q328-I404 WeakPolarHBondContact CA-O 3.07Å; A329-I404 HydrophobicContact CB-CB 4.09Å; A329-I404 HydrophobicContact CB-CD1 3.81Å; A329-I404 HydrophobicContact CB-CG1 3.82Å; A329-I404 PolarHBondContact N-O 3.35Å |
| 405 | D | 95.3 | Very high | 89.6 | Confident | 7 Ų | 7 | 26.2 Ų | 26.2 | 4% | 0.037 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -14.5 | 175.6 | -54.9 | -46 | 0 | 0 | 0 | 112.2 | Y68 R200 V248 T297 N299 T403 | Y68-D405 VanDerWaalsContact CE1-O 3.29Å; Y68-D405 WeakPolarHBondContact CE1-O 3.34Å; R200-D405 WeakPolarHBondContact CD-OD2 3.42Å; R200-D405 IonicContact CZ-OD2 3.82Å; R200-D405 IonicContact NE-OD2 3Å; R200-D405 IonicContact NH1-OD2 2.71Å; R200-D405 PolarHBondContact NH1-OD2 2.94Å; V248-D405 HydrophobicContact CG2-CB 4.01Å; T297-D405 VanDerWaalsContact CB-OD1 3.26Å; T297-D405 WeakPolarHBondContact CB-OD1 3.25Å; T297-D405 WeakPolarHBondContact CB-OD2 2.71Å; T297-D405 VanDerWaalsContact OG1-CG 3.31Å; T297-D405 PolarHBondContact OG1-OD1 3.32Å; N299-D405 PolarHBondContact ND2-OD1 2.9Å; T403-D405 PolarHBondContact O-N 3.17Å; T403-D405 PolarHBondContact OG1-N 3.41Å; T403-D405 VanDerWaalsContact OG1-N 3.14Å |
| 406 | G | 87.1 | Confident | 89.3 | Confident | 14 Ų | 14 | 27.2 Ų | 27.2 | 14% | 0.144 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -178.6 | 98.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | G402 T403 | G402-G406 WeakPolarHBondContact CA-O 3.48Å; T403-G406 PolarHBondContact N-O 2.81Å; T403-G406 CarbonylContact O-C 3.31Å; T403-G406 PolarHBondContact O-N 3.35Å; T403-G406 VanDerWaalsContact O-N 3.14Å |
| 407 | G | 80.1 | Confident | 89 | Confident | 20 Ų | 20 | 30.7 Ų | 30.7 | 21% | 0.206 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 149.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | T403 | T403-G407 WeakPolarHBondContact O-CA 3.24Å; T403-G407 PolarHBondContact O-N 2.83Å; T403-G407 VanDerWaalsContact O-N 3.15Å |
| 408 | G | 78.1 | Confident | 88.6 | Confident | 14 Ų | 14 | 38.3 Ų | 38.3 | 14% | 0.144 | 23% | 0.226 | C | C | . | . | trans | -76.2 | 151.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | A400 A401 | A400-G408 WeakPolarHBondContact O-CA 3.25Å; A401-G408 PolarHBondContact O-N 3.29Å | ||
| 409 | D | 70.9 | Confident | 87.8 | Confident | 91 Ų | 91 | 39.9 Ų | 39.9 | 49% | 0.487 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -86.9 | -11.1 | -176.1 | -78 | -47 | 0 | 0 | 0 | 114.5 | K325 | K325-D409 IonicContact NZ-OD1 2.74Å; K325-D409 PolarHBondContact NZ-OD1 3.42Å |
| 410 | L | 73.9 | Confident | 87.1 | Confident | 97 Ų | 97 | 41 Ų | 41 | 51% | 0.508 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -98.2 | 18.6 | -171.5 | -64.5 | 179.3 | 0 | 0 | 0 | 114 | F412 W423 | L410-F412 HydrophobicContact CB-CD2 3.59Å; L410-F412 HydrophobicContact CB-CE2 3.67Å; L410-F412 HydrophobicContact CD1-CE2 4.24Å; L410-F412 WeakPolarHBondContact O-CD2 3.32Å; L410-F412 PolarHBondContact O-N 2.68Å; L410-W423 HydrophobicContact CB-CH2 4.18Å; L410-W423 HydrophobicContact CB-CZ2 4Å; L410-W423 HydrophobicContact CD1-CH2 3.85Å; L410-W423 HydrophobicContact CD1-CZ2 4.46Å; L410-W423 HydrophobicContact CD1-CZ3 4.38Å; L410-W423 HydrophobicContact CD2-CH2 4.05Å; L410-W423 HydrophobicContact CD2-CZ2 4.5Å; L410-W423 HydrophobicContact CG-CH2 4.25Å |
| 411 | N | 76.6 | Confident | 86.5 | Confident | 117 Ų | 117 | 45.2 Ų | 45.2 | 63% | 0.626 | 28% | 0.276 | S | S | * | . | trans | 55.1 | 21 | 178 | -156.5 | 41.7 | 0 | 0 | 0 | 115.2 | ||||
| 412 | F | 87.4 | Confident | 85.9 | Confident | 15 Ų | 15 | 51.6 Ų | 51.6 | 7% | 0.066 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -66.4 | 144.1 | 165.8 | -73.7 | -96.7 | 0 | 0 | 0 | 109.5 | T324 H397 A400 A401 L410 W423 L448 | T324-F412 WeakPolarHBondContact CG2-O 3.14Å; T324-F412 PolarHBondContact OG1-O 3.46Å; H397-F412 HydrophobicContact CB-CD1 3.96Å; H397-F412 HydrophobicContact CB-CE1 3.99Å; H397-F412 AromaticContact CG-CE1 3.91Å; H397-F412 AromaticContact ND1-CE1 3.56Å; H397-F412 VanDerWaalsContact O-CD1 3.31Å; H397-F412 WeakPolarHBondContact O-CD1 3.2Å; A400-F412 HydrophobicContact CB-CB 4.18Å; A400-F412 HydrophobicContact CB-CD1 4.2Å; A400-F412 HydrophobicContact CB-CD2 3.4Å; A400-F412 HydrophobicContact CB-CE1 4.41Å; A400-F412 HydrophobicContact CB-CE2 3.66Å; A400-F412 HydrophobicContact CB-CG 3.68Å; A400-F412 HydrophobicContact CB-CZ 4.15Å; A401-F412 WeakPolarHBondContact CA-O 3.49Å; A401-F412 HydrophobicContact CB-CB 3.92Å; A401-F412 VanDerWaalsContact CB-O 3.26Å; A401-F412 WeakPolarHBondContact CB-O 3.04Å; L410-F412 HydrophobicContact CB-CD2 3.59Å; L410-F412 HydrophobicContact CB-CE2 3.67Å; L410-F412 HydrophobicContact CD1-CE2 4.24Å; L410-F412 WeakPolarHBondContact O-CD2 3.32Å; L410-F412 PolarHBondContact O-N 2.68Å; F412-W423 HydrophobicContact CE1-CB 4.39Å; F412-W423 AromaticContact CE1-CD1 3.78Å; F412-W423 HydrophobicContact CE1-CD2 4.29Å; F412-W423 AromaticContact CE1-CG 3.91Å; F412-W423 HydrophobicContact CE1-CG 3.91Å; F412-W423 AromaticContact CE2-CD2 3.77Å; F412-W423 HydrophobicContact CE2-CD2 3.77Å; F412-W423 AromaticContact CE2-CE2 3.4Å; F412-W423 VanDerWaalsContact CE2-CE2 3.4Å; F412-W423 HydrophobicContact CE2-CE3 4.26Å; F412-W423 HydrophobicContact CE2-CG 4.23Å; F412-W423 HydrophobicContact CE2-CH2 4.16Å; F412-W423 AromaticContact CE2-CZ2 3.63Å; F412-W423 HydrophobicContact CE2-CZ2 3.63Å; F412-W423 HydrophobicContact CE2-CZ3 4.44Å; F412-W423 AromaticContact CE2-NE1 3.66Å; F412-W423 HydrophobicContact CZ-CB 4.13Å; F412-W423 AromaticContact CZ-CD1 3.52Å; F412-W423 AromaticContact CZ-CD2 3.33Å; F412-W423 HydrophobicContact CZ-CD2 3.33Å; F412-W423 AromaticContact CZ-CE2 3.43Å; F412-W423 VanDerWaalsContact CZ-CE2 3.43Å; F412-W423 AromaticContact CZ-CE3 3.93Å; F412-W423 HydrophobicContact CZ-CE3 3.93Å; F412-W423 AromaticContact CZ-CG 3.4Å; F412-W423 HydrophobicContact CZ-CG 3.4Å; F412-W423 VanDerWaalsContact CZ-CG 3.4Å; F412-W423 HydrophobicContact CZ-CZ2 4.12Å; F412-W423 AromaticContact CZ-NE1 3.51Å; F412-L448 HydrophobicContact CE1-CD1 4.17Å; F412-L448 HydrophobicContact CE1-CD2 4.25Å; F412-L448 HydrophobicContact CZ-CD1 3.92Å; F412-L448 HydrophobicContact CZ-CD2 4.06Å |
| 413 | T | 88.5 | Confident | 85.3 | Confident | 54 Ų | 54 | 54.1 Ų | 54.1 | 33% | 0.331 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -102.4 | 154.9 | 171.4 | 53.5 | 0 | 0 | 0 | 0 | 111.4 | T324 S398 A401 | T324-T413 HydrophobicContact CG2-CG2 4.15Å; S398-T413 PolarHBondContact OG-O 3.45Å; A401-T413 VanDerWaalsContact CB-C 3.45Å |
| 414 | Q | 93.9 | Very high | 84.6 | Confident | 3 Ų | 3 | 55.3 Ų | 55.3 | 1% | 0.014 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | 156.8 | 167 | -64.9 | -169 | 55 | 0 | 0 | 110.2 | N316 S398 A401 G402 R534 | N316-Q414 WeakPolarHBondContact CA-O 3.4Å; N316-Q414 PolarHBondContact O-N 3.45Å; N316-Q414 PolarHBondContact OD1-O 3.34Å; N316-Q414 VanDerWaalsContact OD1-O 3.08Å; S398-Q414 WeakPolarHBondContact OG-CA 3.46Å; A401-Q414 HydrophobicContact CB-CG 3.87Å; G402-Q414 PolarHBondContact O-NE2 3.16Å; Q414-R534 HydrophobicContact CB-CB 4.4Å; Q414-R534 HydrophobicContact CB-CG 4.21Å; Q414-R534 VanDerWaalsContact OE1-CZ 3.24Å |
| 415 | G | 93.8 | Very high | 83 | Confident | 20 Ų | 20 | 57 Ų | 57 | 21% | 0.206 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88.9 | 12.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | S398 V417 V532 Q533 | S398-G415 PolarHBondContact OG-N 2.84Å; S398-G415 VanDerWaalsContact OG-N 3.15Å; G415-V417 PolarHBondContact O-N 3.37Å; G415-V532 VanDerWaalsContact CA-O 3.31Å; G415-V532 WeakPolarHBondContact CA-O 3.38Å; G415-Q533 VanDerWaalsContact CA-O 3.25Å; G415-Q533 WeakPolarHBondContact CA-O 3.32Å; G415-Q533 PolarHBondContact N-O 2.8Å |
| 416 | A | 91.3 | Very high | 81.9 | Confident | 22 Ų | 22 | 59.5 Ų | 59.5 | 18% | 0.182 | 35% | 0.347 | C | S | . | . | trans | -75.9 | 115.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111 | H397 S398 P446 Q533 | H397-A416 HydrophobicContact CB-CB 4.2Å; S398-A416 PolarHBondContact OG-N 2.68Å; S398-A416 VanDerWaalsContact OG-N 3.12Å; A416-P446 HydrophobicContact CB-CG 4.3Å; A416-P446 WeakPolarHBondContact O-CD 3.42Å; A416-P446 WeakPolarHBondContact O-CG 3.38Å; A416-Q533 PolarHBondContact N-O 2.96Å; A416-Q533 WeakPolarHBondContact O-CB 3.2Å | ||
| 417 | V | 90.8 | Very high | 81.7 | Confident | 73 Ų | 73 | 59.6 Ų | 59.6 | 44% | 0.442 | 34% | 0.343 | S | S | . | . | trans | -105.8 | -7.5 | 173.9 | -64.3 | 0 | 0 | 0 | 0 | 113.1 | G415 P444 Q533 | G415-V417 PolarHBondContact O-N 3.37Å; V417-P444 HydrophobicContact CB-CB 4.5Å; V417-Q533 HydrophobicContact CG1-CB 4.11Å; V417-Q533 HydrophobicContact CG1-CG 4.21Å | ||
| 418 | E | 87.4 | Confident | 81.9 | Confident | 164 Ų | 164 | 61.4 Ų | 61.4 | 77% | 0.766 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -120.1 | 148.7 | 173.2 | -66.6 | -178.1 | -177.5 | 0 | 0 | 109.3 | ||
| 419 | G | 79.4 | Confident | 81.5 | Confident | 34 Ų | 34 | 64.9 Ų | 64.9 | 35% | 0.351 | 38% | 0.375 | S | S | . | . | trans | -78 | 152.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 420 | D | 81.3 | Confident | 81.8 | Confident | 66 Ų | 66 | 67.1 Ų | 67.1 | 35% | 0.353 | 39% | 0.386 | S | S | . | . | trans | -91.8 | 121.2 | 168.1 | 174.1 | -97.7 | 0 | 0 | 0 | 110.2 | H397 F422 W423 D424 | H397-D420 PolarHBondContact CE1-N 3.36Å; D420-F422 PolarHBondContact O-N 3.48Å; D420-F422 VanDerWaalsContact O-N 3.16Å; D420-F422 WeakPolarHBondContact OD1-CA 3.38Å; D420-F422 VanDerWaalsContact OD1-CB 3.26Å; D420-F422 WeakPolarHBondContact OD1-CB 3.5Å; D420-F422 PolarHBondContact OD1-N 3.09Å; D420-F422 VanDerWaalsContact OD1-N 3.11Å; D420-W423 HydrophobicContact CB-CB 4.34Å; D420-W423 PolarHBondContact O-N 3.13Å; D420-W423 VanDerWaalsContact OD1-CD1 3.24Å; D420-W423 PolarHBondContact OD1-N 2.92Å; D420-D424 WeakPolarHBondContact O-CB 3.44Å; D420-D424 PolarHBondContact O-N 3.4Å | ||
| 421 | P | 81.3 | Confident | 82.3 | Confident | 109 Ų | 109 | 65.1 Ų | 65.1 | 71% | 0.708 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -58 | -29.7 | -176.8 | -27.5 | 35 | 0 | 0 | 0 | 114.7 | G425 | P421-G425 PolarHBondContact O-N 3.21Å |
| 422 | F | 80.1 | Confident | 82.8 | Confident | 135 Ų | 135 | 60.9 Ų | 60.9 | 59% | 0.592 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -71 | -49.6 | 178.4 | 167.6 | -92 | 0 | 0 | 0 | 110.8 | D420 G425 I426 | D420-F422 PolarHBondContact O-N 3.48Å; D420-F422 VanDerWaalsContact O-N 3.16Å; D420-F422 WeakPolarHBondContact OD1-CA 3.38Å; D420-F422 VanDerWaalsContact OD1-CB 3.26Å; D420-F422 WeakPolarHBondContact OD1-CB 3.5Å; D420-F422 PolarHBondContact OD1-N 3.09Å; D420-F422 VanDerWaalsContact OD1-N 3.11Å; F422-G425 PolarHBondContact O-N 3.42Å; F422-I426 HydrophobicContact CD1-CD1 4.1Å; F422-I426 HydrophobicContact CE1-CD1 3.47Å; F422-I426 VanDerWaalsContact CE1-CD1 3.47Å; F422-I426 HydrophobicContact CE2-CD1 4.07Å; F422-I426 HydrophobicContact CZ-CD1 3.47Å; F422-I426 VanDerWaalsContact CZ-CD1 3.47Å; F422-I426 PolarHBondContact O-N 2.77Å; F422-I426 VanDerWaalsContact O-N 3.07Å |
| 423 | W | 81.8 | Confident | 82.9 | Confident | 63 Ų | 63 | 64.1 Ų | 64.1 | 24% | 0.239 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -66.9 | -36.6 | 176.4 | -75.5 | 114.6 | 0 | 0 | 0 | 113.2 | L410 F412 D420 G425 I426 R427 | L410-W423 HydrophobicContact CB-CH2 4.18Å; L410-W423 HydrophobicContact CB-CZ2 4Å; L410-W423 HydrophobicContact CD1-CH2 3.85Å; L410-W423 HydrophobicContact CD1-CZ2 4.46Å; L410-W423 HydrophobicContact CD1-CZ3 4.38Å; L410-W423 HydrophobicContact CD2-CH2 4.05Å; L410-W423 HydrophobicContact CD2-CZ2 4.5Å; L410-W423 HydrophobicContact CG-CH2 4.25Å; F412-W423 HydrophobicContact CE1-CB 4.39Å; F412-W423 AromaticContact CE1-CD1 3.78Å; F412-W423 HydrophobicContact CE1-CD2 4.29Å; F412-W423 AromaticContact CE1-CG 3.91Å; F412-W423 HydrophobicContact CE1-CG 3.91Å; F412-W423 AromaticContact CE2-CD2 3.77Å; F412-W423 HydrophobicContact CE2-CD2 3.77Å; F412-W423 AromaticContact CE2-CE2 3.4Å; F412-W423 VanDerWaalsContact CE2-CE2 3.4Å; F412-W423 HydrophobicContact CE2-CE3 4.26Å; F412-W423 HydrophobicContact CE2-CG 4.23Å; F412-W423 HydrophobicContact CE2-CH2 4.16Å; F412-W423 AromaticContact CE2-CZ2 3.63Å; F412-W423 HydrophobicContact CE2-CZ2 3.63Å; F412-W423 HydrophobicContact CE2-CZ3 4.44Å; F412-W423 AromaticContact CE2-NE1 3.66Å; F412-W423 HydrophobicContact CZ-CB 4.13Å; F412-W423 AromaticContact CZ-CD1 3.52Å; F412-W423 AromaticContact CZ-CD2 3.33Å; F412-W423 HydrophobicContact CZ-CD2 3.33Å; F412-W423 AromaticContact CZ-CE2 3.43Å; F412-W423 VanDerWaalsContact CZ-CE2 3.43Å; F412-W423 AromaticContact CZ-CE3 3.93Å; F412-W423 HydrophobicContact CZ-CE3 3.93Å; F412-W423 AromaticContact CZ-CG 3.4Å; F412-W423 HydrophobicContact CZ-CG 3.4Å; F412-W423 VanDerWaalsContact CZ-CG 3.4Å; F412-W423 HydrophobicContact CZ-CZ2 4.12Å; F412-W423 AromaticContact CZ-NE1 3.51Å; D420-W423 HydrophobicContact CB-CB 4.34Å; D420-W423 PolarHBondContact O-N 3.13Å; D420-W423 VanDerWaalsContact OD1-CD1 3.24Å; D420-W423 PolarHBondContact OD1-N 2.92Å; W423-G425 VanDerWaalsContact C-N 3.33Å; W423-I426 HydrophobicContact CE3-CD1 4.18Å; W423-I426 HydrophobicContact CZ3-CD1 4.21Å; W423-I426 PolarHBondContact O-N 2.88Å; W423-R427 WeakPolarHBondContact O-CB 3.47Å; W423-R427 PolarHBondContact O-N 2.93Å |
| 424 | D | 81.1 | Confident | 83.1 | Confident | 39 Ų | 39 | 61.8 Ų | 61.8 | 21% | 0.209 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -62.9 | -41.1 | 174.3 | -77.8 | -10 | 0 | 0 | 0 | 111.3 | H397 D420 R427 D428 | H397-D424 IonicContact CE1-OD1 3.34Å; H397-D424 IonicContact NE2-OD1 2.79Å; H397-D424 PolarHBondContact NE2-OD1 3.33Å; D420-D424 WeakPolarHBondContact O-CB 3.44Å; D420-D424 PolarHBondContact O-N 3.4Å; D424-R427 PolarHBondContact O-N 3.35Å; D424-R427 IonicContact OD1-CZ 3.97Å; D424-R427 IonicContact OD1-NH1 2.81Å; D424-R427 PolarHBondContact OD1-NH1 2.03Å; D424-R427 IonicContact OD1-NH2 2.7Å; D424-R427 IonicContact OD2-NH1 3.71Å; D424-D428 WeakPolarHBondContact O-CB 3.2Å; D424-D428 PolarHBondContact O-N 3.1Å |
| 425 | G | 62.8 | Low | 83.2 | Confident | 39 Ų | 39 | 63.6 Ų | 63.6 | 40% | 0.402 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.5 | -42.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | P421 F422 W423 D428 A429 | P421-G425 PolarHBondContact O-N 3.21Å; F422-G425 PolarHBondContact O-N 3.42Å; W423-G425 VanDerWaalsContact C-N 3.33Å; G425-D428 PolarHBondContact O-N 3.14Å; G425-A429 WeakPolarHBondContact O-CB 3.27Å; G425-A429 PolarHBondContact O-N 3.27Å |
| 426 | I | 72.4 | Confident | 83.3 | Confident | 61 Ų | 61 | 69 Ų | 69 | 31% | 0.313 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -63.7 | -46.6 | 175.7 | -70.3 | 175.1 | 0 | 0 | 0 | 110.9 | F422 W423 D428 A429 L430 | F422-I426 HydrophobicContact CD1-CD1 4.1Å; F422-I426 HydrophobicContact CE1-CD1 3.47Å; F422-I426 VanDerWaalsContact CE1-CD1 3.47Å; F422-I426 HydrophobicContact CE2-CD1 4.07Å; F422-I426 HydrophobicContact CZ-CD1 3.47Å; F422-I426 VanDerWaalsContact CZ-CD1 3.47Å; F422-I426 PolarHBondContact O-N 2.77Å; F422-I426 VanDerWaalsContact O-N 3.07Å; W423-I426 HydrophobicContact CE3-CD1 4.18Å; W423-I426 HydrophobicContact CZ3-CD1 4.21Å; W423-I426 PolarHBondContact O-N 2.88Å; I426-D428 PolarHBondContact O-N 2.69Å; I426-A429 PolarHBondContact O-N 3.12Å; I426-L430 HydrophobicContact CG2-CD1 3.63Å; I426-L430 HydrophobicContact CG2-CG 4.28Å; I426-L430 WeakPolarHBondContact O-CB 3.18Å; I426-L430 WeakPolarHBondContact O-CG 3.37Å; I426-L430 PolarHBondContact O-N 2.75Å |
| 427 | R | 83.5 | Confident | 83.5 | Confident | 16 Ų | 16 | 74.9 Ų | 74.9 | 6% | 0.06 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -55.3 | -52.3 | 175.2 | 173.7 | -159.6 | 68.7 | -142.5 | -11.8 | 110.4 | W423 D424 A429 L430 V431 G432 P434 I447 L448 | W423-R427 WeakPolarHBondContact O-CB 3.47Å; W423-R427 PolarHBondContact O-N 2.93Å; D424-R427 PolarHBondContact O-N 3.35Å; D424-R427 IonicContact OD1-CZ 3.97Å; D424-R427 IonicContact OD1-NH1 2.81Å; D424-R427 PolarHBondContact OD1-NH1 2.03Å; D424-R427 IonicContact OD1-NH2 2.7Å; D424-R427 IonicContact OD2-NH1 3.71Å; R427-A429 VanDerWaalsContact C-N 3.28Å; R427-A429 PolarHBondContact O-N 2.75Å; R427-L430 PolarHBondContact O-N 3.37Å; R427-V431 HydrophobicContact CG-CG2 3.81Å; R427-V431 WeakPolarHBondContact O-CG2 3.46Å; R427-V431 PolarHBondContact O-N 3.46Å; R427-G432 PolarHBondContact O-N 3.4Å; R427-P434 VanDerWaalsContact NE-CD 3.26Å; R427-I447 PolarHBondContact NH1-O 3Å; R427-L448 WeakPolarHBondContact CD-O 3.23Å; R427-L448 VanDerWaalsContact CG-O 3.23Å; R427-L448 WeakPolarHBondContact CG-O 3.11Å |
| 428 | D | 83.7 | Confident | 83.7 | Confident | 58 Ų | 58 | 71.7 Ų | 71.7 | 31% | 0.31 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -62.6 | -37.3 | -175.4 | -68.4 | -1.2 | 0 | 0 | 0 | 111.6 | D424 G425 I426 G432 P433 | D424-D428 WeakPolarHBondContact O-CB 3.2Å; D424-D428 PolarHBondContact O-N 3.1Å; G425-D428 PolarHBondContact O-N 3.14Å; I426-D428 PolarHBondContact O-N 2.69Å; D428-G432 VanDerWaalsContact O-CA 3.29Å; D428-G432 WeakPolarHBondContact O-CA 3.45Å; D428-G432 PolarHBondContact O-N 3.08Å; D428-P433 HydrophobicContact CB-CB 4.43Å; D428-P433 VanDerWaalsContact OD1-CA 3.24Å; D428-P433 WeakPolarHBondContact OD1-CA 3.42Å |
| 429 | A | 69.2 | Low | 84.2 | Confident | 87 Ų | 87 | 67.9 Ų | 67.9 | 72% | 0.719 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -71 | -37 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | G425 I426 R427 | G425-A429 WeakPolarHBondContact O-CB 3.27Å; G425-A429 PolarHBondContact O-N 3.27Å; I426-A429 PolarHBondContact O-N 3.12Å; R427-A429 VanDerWaalsContact C-N 3.28Å; R427-A429 PolarHBondContact O-N 2.75Å |
| 430 | L | 78 | Confident | 85 | Confident | 137 Ų | 137 | 73.9 Ų | 73.9 | 72% | 0.717 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -89.6 | -39.3 | -174 | -68.3 | 179.5 | 0 | 0 | 0 | 113.6 | I426 R427 | I426-L430 HydrophobicContact CG2-CD1 3.63Å; I426-L430 HydrophobicContact CG2-CG 4.28Å; I426-L430 WeakPolarHBondContact O-CB 3.18Å; I426-L430 WeakPolarHBondContact O-CG 3.37Å; I426-L430 PolarHBondContact O-N 2.75Å; R427-L430 PolarHBondContact O-N 3.37Å |
| 431 | V | 85.1 | Confident | 85.8 | Confident | 56 Ų | 56 | 72.5 Ų | 72.5 | 34% | 0.339 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -132.6 | 1.8 | -169.7 | -62.6 | 0 | 0 | 0 | 0 | 114 | R427 M454 | R427-V431 HydrophobicContact CG-CG2 3.81Å; R427-V431 WeakPolarHBondContact O-CG2 3.46Å; R427-V431 PolarHBondContact O-N 3.46Å; V431-M454 HydrophobicContact CB-CE 3.66Å; V431-M454 HydrophobicContact CB-SD 4.38Å; V431-M454 HydrophobicContact CG1-CE 3.58Å; V431-M454 HydrophobicContact CG2-CE 4.02Å; V431-M454 HydrophobicContact CG2-SD 4.38Å |
| 432 | G | 86.3 | Confident | 86.6 | Confident | 28 Ų | 28 | 67.3 Ų | 67.3 | 29% | 0.289 | 37% | 0.373 | S | S | . | . | trans | 85.7 | 154.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | R427 D428 | R427-G432 PolarHBondContact O-N 3.4Å; D428-G432 VanDerWaalsContact O-CA 3.29Å; D428-G432 WeakPolarHBondContact O-CA 3.45Å; D428-G432 PolarHBondContact O-N 3.08Å | ||
| 433 | P | 90.4 | Very high | 87.5 | Confident | 83 Ų | 83 | 67.1 Ų | 67.1 | 54% | 0.539 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -71.8 | 139.3 | 180 | 28.4 | -34 | 0 | 0 | 0 | 112.2 | D428 | D428-P433 HydrophobicContact CB-CB 4.43Å; D428-P433 VanDerWaalsContact OD1-CA 3.24Å; D428-P433 WeakPolarHBondContact OD1-CA 3.42Å |
| 434 | P | 92.6 | Very high | 88.2 | Confident | 4 Ų | 4 | 64.8 Ų | 64.8 | 3% | 0.026 | 37% | 0.367 | C | S | . | . | P | Polyproline II helix | trans | -59.8 | 140 | 170.8 | -17.7 | 27.1 | 0 | 0 | 0 | 110.4 | R427 K439 I447 E453 | R427-P434 VanDerWaalsContact NE-CD 3.26Å; P434-K439 HydrophobicContact CB-CG 4.03Å; P434-K439 VanDerWaalsContact O-CE 3.24Å; P434-K439 WeakPolarHBondContact O-CE 3.3Å; P434-I447 HydrophobicContact CB-CD1 4.01Å; P434-I447 HydrophobicContact CB-CG2 4.23Å; P434-I447 HydrophobicContact CG-CB 4.05Å; P434-I447 HydrophobicContact CG-CD1 4.46Å; P434-I447 HydrophobicContact CG-CG2 3.7Å; P434-E453 WeakPolarHBondContact CA-OE2 3.48Å |
| 435 | S | 95.4 | Very high | 89.1 | Confident | 41 Ų | 41 | 63.3 Ų | 63.3 | 29% | 0.287 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 153.7 | 177.1 | 72.2 | 0 | 0 | 0 | 0 | 112.2 | Q437 T438 K439 E453 | S435-Q437 PolarHBondContact O-N 3.41Å; S435-T438 PolarHBondContact O-N 3.01Å; S435-T438 VanDerWaalsContact O-N 3.08Å; S435-T438 WeakPolarHBondContact OG-CB 3.19Å; S435-T438 PolarHBondContact OG-N 3.06Å; S435-T438 PolarHBondContact OG-OG1 2.64Å; S435-T438 VanDerWaalsContact OG-OG1 3.06Å; S435-K439 WeakPolarHBondContact O-CG 3.39Å; S435-K439 PolarHBondContact O-N 2.6Å; S435-E453 VanDerWaalsContact CB-OE1 3.25Å; S435-E453 WeakPolarHBondContact CB-OE1 3.3Å; S435-E453 PolarHBondContact N-OE2 2.87Å; S435-E453 VanDerWaalsContact N-OE2 3.11Å; S435-E453 PolarHBondContact OG-OE1 3.29Å |
| 436 | N | 95.8 | Very high | 90.7 | Very high | 133 Ų | 133 | 62.1 Ų | 62.1 | 71% | 0.711 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -57.7 | -38.6 | 177.4 | -70.9 | -12.1 | 0 | 0 | 0 | 111.8 | K439 E440 | N436-K439 PolarHBondContact O-N 2.86Å; N436-E440 WeakPolarHBondContact O-CB 3.31Å; N436-E440 PolarHBondContact O-N 2.85Å |
| 437 | Q | 95.3 | Very high | 91.8 | Very high | 147 Ų | 147 | 59.5 Ų | 59.5 | 69% | 0.687 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -61 | -45 | 175.5 | -175 | -177.2 | 14.6 | 0 | 0 | 111.6 | S435 C441 | S435-Q437 PolarHBondContact O-N 3.41Å; Q437-C441 VanDerWaalsContact O-CB 3.24Å; Q437-C441 WeakPolarHBondContact O-CB 3.47Å; Q437-C441 PolarHBondContact O-N 2.85Å |
| 438 | T | 95.5 | Very high | 92.4 | Very high | 5 Ų | 5 | 59.1 Ų | 59.1 | 3% | 0.031 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -66.6 | -41.7 | 178.5 | -62.7 | 0 | 0 | 0 | 0 | 110.8 | S435 C441 H442 I447 E453 | S435-T438 PolarHBondContact O-N 3.01Å; S435-T438 VanDerWaalsContact O-N 3.08Å; S435-T438 WeakPolarHBondContact OG-CB 3.19Å; S435-T438 PolarHBondContact OG-N 3.06Å; S435-T438 PolarHBondContact OG-OG1 2.64Å; S435-T438 VanDerWaalsContact OG-OG1 3.06Å; T438-C441 PolarHBondContact O-N 3.02Å; T438-H442 WeakPolarHBondContact O-CB 3.21Å; T438-H442 PolarHBondContact O-CD2 2.88Å; T438-H442 PolarHBondContact O-N 2.7Å; T438-I447 HydrophobicContact CG2-CD1 3.66Å; T438-E453 PolarHBondContact OG1-OE1 2.94Å |
| 439 | K | 96.6 | Very high | 92.9 | Very high | 85 Ų | 85 | 59 Ų | 59 | 37% | 0.37 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -59.9 | -48.2 | 175.4 | -69.8 | 177 | 178.3 | 174.1 | 0 | 112.1 | P434 S435 N436 H442 H443 I447 | P434-K439 HydrophobicContact CB-CG 4.03Å; P434-K439 VanDerWaalsContact O-CE 3.24Å; P434-K439 WeakPolarHBondContact O-CE 3.3Å; S435-K439 WeakPolarHBondContact O-CG 3.39Å; S435-K439 PolarHBondContact O-N 2.6Å; N436-K439 PolarHBondContact O-N 2.86Å; K439-H442 PolarHBondContact O-N 2.7Å; K439-H443 PolarHBondContact O-N 3.11Å; K439-H443 VanDerWaalsContact O-N 3.16Å; K439-I447 HydrophobicContact CG-CD1 4.23Å |
| 440 | E | 97.2 | Very high | 94.2 | Very high | 160 Ų | 160 | 55.2 Ų | 55.2 | 75% | 0.748 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -63.7 | -46.2 | 179.4 | -174.8 | 176.2 | -173.4 | 0 | 0 | 111.5 | N436 H442 H443 | N436-E440 WeakPolarHBondContact O-CB 3.31Å; N436-E440 PolarHBondContact O-N 2.85Å; E440-H442 VanDerWaalsContact C-N 3.25Å; E440-H442 PolarHBondContact O-N 2.91Å; E440-H443 WeakPolarHBondContact O-CB 3.38Å; E440-H443 PolarHBondContact O-N 2.82Å |
| 441 | C | 98 | Very high | 95.1 | Very high | 36 Ų | 36 | 48.7 Ų | 48.7 | 24% | 0.243 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.8 | -36.2 | 178.6 | -168.1 | 0 | 0 | 0 | 0 | 112.3 | C391 Q437 T438 P544 | C391-C441 WeakPolarHBondContact CA-SG 3.09Å; C391-C441 HydrophobicContact CB-CB 3.91Å; C391-C441 WeakPolarHBondContact CB-SG 3.2Å; C391-C441 WeakPolarHBondContact SG-CB 3.43Å; C391-C441 PolarHBondContact SG-O 2.98Å; C391-C441 CovalentContact SG-SG 2.03Å; C391-C441 PolarHBondContact SG-SG 3.43Å; Q437-C441 VanDerWaalsContact O-CB 3.24Å; Q437-C441 WeakPolarHBondContact O-CB 3.47Å; Q437-C441 PolarHBondContact O-N 2.85Å; T438-C441 PolarHBondContact O-N 3.02Å; C441-P544 VanDerWaalsContact O-CD 3.29Å; C441-P544 WeakPolarHBondContact O-CD 3.29Å |
| 442 | H | 98.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -84.3 | -12.2 | -177.6 | -92.2 | -73.7 | 0 | 0 | 0 | 115.3 | C391 K392 A394 T438 K439 E440 K445 I447 Y530 I541 G543 | C391-H442 VanDerWaalsContact CB-NE2 3.29Å; C391-H442 WeakPolarHBondContact CB-NE2 3.29Å; K392-H442 PolarHBondContact O-NE2 2.87Å; A394-H442 WeakPolarHBondContact CB-NE2 3.34Å; T438-H442 WeakPolarHBondContact O-CB 3.21Å; T438-H442 PolarHBondContact O-CD2 2.88Å; T438-H442 PolarHBondContact O-N 2.7Å; K439-H442 PolarHBondContact O-N 2.7Å; E440-H442 VanDerWaalsContact C-N 3.25Å; E440-H442 PolarHBondContact O-N 2.91Å; H442-K445 HydrophobicContact CB-CB 4.26Å; H442-K445 WeakPolarHBondContact O-CB 3.22Å; H442-K445 PolarHBondContact O-N 3.42Å; H442-I447 HydrophobicContact CB-CD1 4.03Å; H442-I447 HydrophobicContact CB-CG1 4.16Å; H442-Y530 PolarHBondContact ND1-OH 3.14Å; H442-Y530 VanDerWaalsContact ND1-OH 3.11Å; H442-Y530 WeakPolarHBondContact O-CE1 3.39Å; H442-Y530 PolarHBondContact O-OH 3.02Å; H442-I541 PolarHBondContact CE1-O 3.01Å; H442-I541 PolarHBondContact NE2-O 3.4Å; H442-G543 PolarHBondContact CE1-N 2.79Å; H442-G543 VanDerWaalsContact CE1-N 3.34Å |
| 443 | H | 97.6 | Very high | 96.1 | Very high | 131 Ų | 131 | 47.6 Ų | 47.6 | 61% | 0.606 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -48 | 135.1 | -176.7 | -176.5 | -81 | 0 | 0 | 0 | 111.8 | K439 E440 | K439-H443 PolarHBondContact O-N 3.11Å; K439-H443 VanDerWaalsContact O-N 3.16Å; E440-H443 WeakPolarHBondContact O-CB 3.38Å; E440-H443 PolarHBondContact O-N 2.82Å |
| 444 | P | 98.1 | Very high | 96.3 | Very high | 14 Ų | 14 | 44.4 Ų | 44.4 | 9% | 0.091 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -90.4 | 15.3 | 7.4 | 37.1 | -38.1 | 0 | 0 | 0 | 114.8 | V417 P446 Q533 | V417-P444 HydrophobicContact CB-CB 4.5Å; P444-P446 WeakPolarHBondContact O-CD 3.38Å; P444-Q533 HydrophobicContact CG-CG 4.49Å |
| 445 | K | 98.5 | Very high | 96.4 | Very high | 8 Ų | 8 | 48.3 Ų | 48.3 | 4% | 0.035 | 24% | 0.244 | C | C | . | . | trans | -65.5 | 119.2 | -179.2 | 174.7 | -175.2 | -61.8 | -165.8 | 0 | 111.2 | A394 H442 I447 Y530 Q533 G537 A538 T540 | A394-K445 PolarHBondContact O-NZ 3.38Å; H442-K445 HydrophobicContact CB-CB 4.26Å; H442-K445 WeakPolarHBondContact O-CB 3.22Å; H442-K445 PolarHBondContact O-N 3.42Å; K445-I447 PolarHBondContact O-N 3.31Å; K445-Y530 HydrophobicContact CB-CE1 4.32Å; K445-Y530 VanDerWaalsContact CB-OH 3.3Å; K445-Y530 WeakPolarHBondContact CB-OH 3.44Å; K445-Y530 VanDerWaalsContact CE-OH 3.23Å; K445-Y530 WeakPolarHBondContact CE-OH 3.28Å; K445-Q533 HydrophobicContact CB-CG 4.49Å; K445-Q533 VanDerWaalsContact CB-OE1 3.29Å; K445-Q533 VanDerWaalsContact CG-OE1 3.26Å; K445-G537 WeakPolarHBondContact CE-O 3.21Å; K445-A538 VanDerWaalsContact CE-O 3.31Å; K445-A538 WeakPolarHBondContact CE-O 3.38Å; K445-A538 PolarHBondContact NZ-O 2.86Å; K445-T540 PolarHBondContact NZ-O 3.4Å | ||
| 446 | P | 96.8 | Very high | 96.1 | Very high | 14 Ų | 14 | 56.4 Ų | 56.4 | 9% | 0.091 | 27% | 0.268 | C | S | . | . | trans | -74.4 | 112.2 | 166.3 | 30.8 | -32.4 | 0 | 0 | 0 | 108.6 | G396 H397 A416 P444 L448 | G396-P446 CarbonylContact C-O 3.52Å; G396-P446 WeakPolarHBondContact CA-O 3.37Å; H397-P446 HydrophobicContact CB-CG 4.09Å; H397-P446 PolarHBondContact CD2-O 3.24Å; H397-P446 VanDerWaalsContact CD2-O 3.27Å; H397-P446 PolarHBondContact N-O 2.56Å; A416-P446 HydrophobicContact CB-CG 4.3Å; A416-P446 WeakPolarHBondContact O-CD 3.42Å; A416-P446 WeakPolarHBondContact O-CG 3.38Å; P444-P446 WeakPolarHBondContact O-CD 3.38Å; P446-L448 PolarHBondContact O-N 2.82Å | ||
| 447 | I | 96.8 | Very high | 96 | Very high | 7 Ų | 7 | 51.4 Ų | 51.4 | 4% | 0.036 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 119.5 | -173 | -63.6 | 172.1 | 0 | 0 | 0 | 110.5 | A394 R427 P434 T438 K439 H442 K445 | A394-I447 HydrophobicContact CB-CD1 4.22Å; A394-I447 HydrophobicContact CB-CG1 4.16Å; A394-I447 HydrophobicContact CB-CG2 4.02Å; R427-I447 PolarHBondContact NH1-O 3Å; P434-I447 HydrophobicContact CB-CD1 4.01Å; P434-I447 HydrophobicContact CB-CG2 4.23Å; P434-I447 HydrophobicContact CG-CB 4.05Å; P434-I447 HydrophobicContact CG-CD1 4.46Å; P434-I447 HydrophobicContact CG-CG2 3.7Å; T438-I447 HydrophobicContact CG2-CD1 3.66Å; K439-I447 HydrophobicContact CG-CD1 4.23Å; H442-I447 HydrophobicContact CB-CD1 4.03Å; H442-I447 HydrophobicContact CB-CG1 4.16Å; K445-I447 PolarHBondContact O-N 3.31Å |
| 448 | L | 94.4 | Very high | 96.1 | Very high | 7 Ų | 7 | 45 Ų | 45 | 4% | 0.037 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | -42.5 | 168.4 | -175.8 | 62.1 | 0 | 0 | 0 | 111.6 | L395 A400 F412 R427 P446 | L395-L448 PolarHBondContact O-N 3.14Å; A400-L448 HydrophobicContact CB-CD2 3.63Å; F412-L448 HydrophobicContact CE1-CD1 4.17Å; F412-L448 HydrophobicContact CE1-CD2 4.25Å; F412-L448 HydrophobicContact CZ-CD1 3.92Å; F412-L448 HydrophobicContact CZ-CD2 4.06Å; R427-L448 WeakPolarHBondContact CD-O 3.23Å; R427-L448 VanDerWaalsContact CG-O 3.23Å; R427-L448 WeakPolarHBondContact CG-O 3.11Å; P446-L448 PolarHBondContact O-N 2.82Å |
| 449 | F | 94.5 | Very high | 96.2 | Very high | 57 Ų | 57 | 46.3 Ų | 46.3 | 25% | 0.25 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 116.8 | 177.7 | -58.9 | -68.1 | 0 | 0 | 0 | 110.9 | A394 L395 F399 T451 M454 | A394-F449 CarbonylContact C-O 3.53Å; A394-F449 VanDerWaalsContact CA-O 3.26Å; A394-F449 WeakPolarHBondContact CA-O 3.26Å; L395-F449 HydrophobicContact CB-CB 4.36Å; L395-F449 HydrophobicContact CB-CD2 4.38Å; L395-F449 HydrophobicContact CD1-CD2 4.35Å; L395-F449 PolarHBondContact N-O 2.96Å; L395-F449 PolarHBondContact O-N 2.92Å; L395-F449 VanDerWaalsContact O-N 3.12Å; F399-F449 HydrophobicContact CD1-CD2 4.44Å; F399-F449 HydrophobicContact CD1-CE2 4.38Å; F399-F449 HydrophobicContact CE1-CE2 4.35Å; F449-T451 HydrophobicContact CB-CG2 3.86Å; F449-T451 PolarHBondContact O-N 2.99Å; F449-M454 HydrophobicContact CB-SD 4.42Å |
| 450 | S | 96.3 | Very high | 96.2 | Very high | 6 Ų | 6 | 43.8 Ų | 43.8 | 4% | 0.042 | 21% | 0.21 | C | C | . | . | trans | -82 | 61.5 | 173.9 | -165 | 0 | 0 | 0 | 0 | 110.9 | G452 E453 M454 | S450-G452 PolarHBondContact O-N 2.9Å; S450-E453 WeakPolarHBondContact O-CA 3.34Å; S450-E453 PolarHBondContact O-N 3.42Å; S450-E453 PolarHBondContact OG-OE2 3.35Å; S450-M454 VanDerWaalsContact O-CG 3.29Å; S450-M454 WeakPolarHBondContact O-CG 3.5Å; S450-M454 PolarHBondContact O-N 2.91Å | ||
| 451 | T | 96.7 | Very high | 96.3 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.006 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -24.2 | -168.7 | 51.4 | 0 | 0 | 0 | 0 | 115.2 | P393 L395 F449 E453 M454 W460 H461 | P393-T451 CarbonylContact O-C 3.58Å; P393-T451 PolarHBondContact O-N 2.9Å; P393-T451 VanDerWaalsContact O-N 3.12Å; P393-T451 PolarHBondContact O-OG1 3.06Å; L395-T451 HydrophobicContact CD1-CG2 4.46Å; F449-T451 HydrophobicContact CB-CG2 3.86Å; F449-T451 PolarHBondContact O-N 2.99Å; T451-E453 VanDerWaalsContact C-N 3.28Å; T451-M454 PolarHBondContact O-N 2.85Å; T451-W460 HydrophobicContact CG2-CB 4.09Å; T451-W460 HydrophobicContact CG2-CE3 4.24Å; T451-H461 WeakPolarHBondContact CB-ND1 3.49Å; T451-H461 PolarHBondContact OG1-ND1 3.03Å |
| 452 | G | 97.1 | Very high | 96.3 | Very high | 4 Ų | 4 | 34.5 Ų | 34.5 | 4% | 0.041 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -10.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | P393 S450 | P393-G452 PolarHBondContact O-N 3.02Å; S450-G452 PolarHBondContact O-N 2.9Å |
| 453 | E | 96.6 | Very high | 96.3 | Very high | 56 Ų | 56 | 37.8 Ų | 37.8 | 26% | 0.262 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | -2.9 | 173.4 | -61.3 | 174.8 | 160.3 | 0 | 0 | 111.1 | K392 P434 S435 T438 S450 T451 | K392-E453 HydrophobicContact CD-CG 4.07Å; P434-E453 WeakPolarHBondContact CA-OE2 3.48Å; S435-E453 VanDerWaalsContact CB-OE1 3.25Å; S435-E453 WeakPolarHBondContact CB-OE1 3.3Å; S435-E453 PolarHBondContact N-OE2 2.87Å; S435-E453 VanDerWaalsContact N-OE2 3.11Å; S435-E453 PolarHBondContact OG-OE1 3.29Å; T438-E453 PolarHBondContact OG1-OE1 2.94Å; S450-E453 WeakPolarHBondContact O-CA 3.34Å; S450-E453 PolarHBondContact O-N 3.42Å; S450-E453 PolarHBondContact OG-OE2 3.35Å; T451-E453 VanDerWaalsContact C-N 3.28Å |
| 454 | M | 94.6 | Very high | 96.4 | Very high | 16 Ų | 16 | 32.3 Ų | 32.3 | 8% | 0.079 | 15% | 0.153 | C | C | . | . | trans | -105.5 | 105.9 | -178.4 | -61.3 | 165.2 | 70.2 | 0 | 0 | 110.1 | V431 F449 S450 T451 W460 | V431-M454 HydrophobicContact CB-CE 3.66Å; V431-M454 HydrophobicContact CB-SD 4.38Å; V431-M454 HydrophobicContact CG1-CE 3.58Å; V431-M454 HydrophobicContact CG2-CE 4.02Å; V431-M454 HydrophobicContact CG2-SD 4.38Å; F449-M454 HydrophobicContact CB-SD 4.42Å; S450-M454 VanDerWaalsContact O-CG 3.29Å; S450-M454 WeakPolarHBondContact O-CG 3.5Å; S450-M454 PolarHBondContact O-N 2.91Å; T451-M454 PolarHBondContact O-N 2.85Å; M454-W460 HydrophobicContact CB-CB 4.21Å; M454-W460 HydrophobicContact CB-CD2 4.06Å; M454-W460 HydrophobicContact CB-CG 3.74Å; M454-W460 HydrophobicContact CE-CD2 3.54Å; M454-W460 HydrophobicContact CE-CE3 3.41Å; M454-W460 VanDerWaalsContact CE-CE3 3.41Å; M454-W460 HydrophobicContact CE-CG 4.39Å; M454-W460 HydrophobicContact CE-CH2 3.29Å; M454-W460 HydrophobicContact CE-CZ2 3.43Å; M454-W460 VanDerWaalsContact CE-CZ2 3.43Å; M454-W460 HydrophobicContact CE-CZ3 3.28Å; M454-W460 PolarHBondContact O-N 2.84Å; M454-W460 VanDerWaalsContact O-N 3.08Å; M454-W460 HydrophobicContact SD-CD2 4.39Å; M454-W460 HydrophobicContact SD-CE3 4.24Å; M454-W460 HydrophobicContact SD-CZ3 4.5Å | ||
| 455 | N | 93.4 | Very high | 96.4 | Very high | 87 Ų | 87 | 31.7 Ų | 31.7 | 47% | 0.465 | 15% | 0.149 | S | C | . | . | trans | -119.1 | 6 | -171.4 | -64.7 | -63.2 | 0 | 0 | 0 | 114.9 | L458 | N455-L458 CarbonylContact C-O 3.57Å; N455-L458 CarbonylContact O-C 3.59Å; N455-L458 VanDerWaalsContact O-C 3.24Å; N455-L458 WeakPolarHBondContact O-CA 3.35Å; N455-L458 PolarHBondContact O-N 2.85Å | ||
| 456 | W | 90.5 | Very high | 96.4 | Very high | 210 Ų | 210 | 31.3 Ų | 31.3 | 80% | 0.795 | 15% | 0.147 | S | C | * | . | S | Bend | trans | -113.3 | 137.9 | 178.7 | -173.6 | 91.9 | 0 | 0 | 0 | 111.5 | L458 W460 | W456-L458 VanDerWaalsContact C-N 3.26Å; W456-W460 PolarHBondContact O-NE1 2.8Å |
| 457 | P | 93.7 | Very high | 96.5 | Very high | 29 Ų | 29 | 30.6 Ų | 30.6 | 19% | 0.188 | 14% | 0.143 | C | C | . | . | S | Bend | cis | -71.9 | -16.5 | -6.2 | 31.3 | -36.7 | 0 | 0 | 0 | 113.6 | N581 F583 | P457-N581 HydrophobicContact CB-CB 4.48Å; P457-N581 PolarHBondContact O-ND2 3.29Å; P457-F583 HydrophobicContact CG-CD1 4.17Å; P457-F583 HydrophobicContact CG-CE1 4.2Å |
| 458 | L | 96.6 | Very high | 96.6 | Very high | 13 Ų | 13 | 30.3 Ų | 30.3 | 7% | 0.068 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -141.3 | 165.3 | 173.7 | -71.4 | 171.7 | 0 | 0 | 0 | 108.8 | T149 M152 N455 W456 W460 F578 N581 L582 | T149-L458 PolarHBondContact OG1-N 3.38Å; T149-L458 PolarHBondContact OG1-O 3.03Å; M152-L458 HydrophobicContact CE-CD1 4.03Å; N455-L458 CarbonylContact C-O 3.57Å; N455-L458 CarbonylContact O-C 3.59Å; N455-L458 VanDerWaalsContact O-C 3.24Å; N455-L458 WeakPolarHBondContact O-CA 3.35Å; N455-L458 PolarHBondContact O-N 2.85Å; W456-L458 VanDerWaalsContact C-N 3.26Å; L458-W460 PolarHBondContact O-N 2.96Å; L458-F578 HydrophobicContact CB-CD2 4.48Å; L458-F578 HydrophobicContact CD1-CB 3.93Å; L458-F578 HydrophobicContact CD1-CD2 3.86Å; L458-F578 HydrophobicContact CD1-CG 3.98Å; L458-F578 HydrophobicContact CD2-CB 4.2Å; L458-F578 HydrophobicContact CD2-CD1 3.86Å; L458-F578 HydrophobicContact CD2-CD2 4.16Å; L458-F578 HydrophobicContact CD2-CE1 4.28Å; L458-F578 HydrophobicContact CD2-CG 3.81Å; L458-F578 HydrophobicContact CG-CD2 4.4Å; L458-F578 HydrophobicContact CG-CG 4.45Å; L458-N581 HydrophobicContact CD1-CB 4.26Å; L458-N581 HydrophobicContact CD2-CB 4.08Å; L458-N581 HydrophobicContact CG-CB 3.94Å; L458-L582 HydrophobicContact CD1-CD2 4.07Å |
| 459 | P | 97.6 | Very high | 96.8 | Very high | 31 Ų | 31 | 30 Ų | 30 | 20% | 0.201 | 14% | 0.14 | C | C | . | . | trans | -48.6 | 133.7 | 170.8 | -29.2 | 37 | 0 | 0 | 0 | 112.5 | Y148 T149 F578 | Y148-P459 HydrophobicContact CD1-CB 4.26Å; Y148-P459 WeakPolarHBondContact CD1-O 3.4Å; Y148-P459 HydrophobicContact CE1-CB 4.43Å; T149-P459 PolarHBondContact N-O 2.87Å; T149-P459 VanDerWaalsContact N-O 3.1Å; P459-F578 HydrophobicContact CB-CZ 4.46Å; P459-F578 HydrophobicContact CG-CZ 3.86Å | ||
| 460 | W | 97.5 | Very high | 97 | Very high | 33 Ų | 33 | 27.4 Ų | 27.4 | 13% | 0.125 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -77.8 | -28.8 | -176 | -80.5 | 47.5 | 0 | 0 | 0 | 113.5 | T149 L150 L153 T451 M454 W456 L458 | T149-W460 HydrophobicContact CG2-CD2 4.14Å; T149-W460 HydrophobicContact CG2-CG 4.22Å; T149-W460 HydrophobicContact CG2-CZ2 4.22Å; L150-W460 HydrophobicContact CB-CE3 4.38Å; L150-W460 WeakPolarHBondContact CB-O 3.31Å; L150-W460 HydrophobicContact CD1-CE3 4.04Å; L150-W460 HydrophobicContact CD1-CZ3 4.19Å; L150-W460 PolarHBondContact N-O 3.23Å; L153-W460 HydrophobicContact CD1-CH2 3.77Å; L153-W460 HydrophobicContact CD1-CZ2 4.07Å; L153-W460 HydrophobicContact CD1-CZ3 4.14Å; T451-W460 HydrophobicContact CG2-CB 4.09Å; T451-W460 HydrophobicContact CG2-CE3 4.24Å; M454-W460 HydrophobicContact CB-CB 4.21Å; M454-W460 HydrophobicContact CB-CD2 4.06Å; M454-W460 HydrophobicContact CB-CG 3.74Å; M454-W460 HydrophobicContact CE-CD2 3.54Å; M454-W460 HydrophobicContact CE-CE3 3.41Å; M454-W460 VanDerWaalsContact CE-CE3 3.41Å; M454-W460 HydrophobicContact CE-CG 4.39Å; M454-W460 HydrophobicContact CE-CH2 3.29Å; M454-W460 HydrophobicContact CE-CZ2 3.43Å; M454-W460 VanDerWaalsContact CE-CZ2 3.43Å; M454-W460 HydrophobicContact CE-CZ3 3.28Å; M454-W460 PolarHBondContact O-N 2.84Å; M454-W460 VanDerWaalsContact O-N 3.08Å; M454-W460 HydrophobicContact SD-CD2 4.39Å; M454-W460 HydrophobicContact SD-CE3 4.24Å; M454-W460 HydrophobicContact SD-CZ3 4.5Å; W456-W460 PolarHBondContact O-NE1 2.8Å; L458-W460 PolarHBondContact O-N 2.96Å |
| 461 | H | 98.5 | Very high | 97.1 | Very high | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -135.7 | 155.4 | 176.3 | -90.2 | 157.1 | 0 | 0 | 0 | 112.9 | L150 F151 P393 T451 H522 I541 | L150-H461 WeakPolarHBondContact CD2-NE2 3.38Å; F151-H461 AromaticContact CE2-CD2 3.86Å; F151-H461 AromaticContact CZ-CD2 3.85Å; F151-H461 AromaticContact CZ-NE2 3.73Å; P393-H461 HydrophobicContact CB-CB 3.74Å; P393-H461 HydrophobicContact CG-CB 3.68Å; T451-H461 WeakPolarHBondContact CB-ND1 3.49Å; T451-H461 PolarHBondContact OG1-ND1 3.03Å; H461-H522 AromaticContact CE1-CD2 3.69Å; H461-H522 AromaticContact CE1-NE2 3.55Å; H461-H522 AromaticContact NE2-CD2 3.25Å; H461-H522 PolarHBondContact NE2-CD2 2.83Å; H461-H522 AromaticContact NE2-NE2 2.94Å; H461-H522 PolarHBondContact NE2-NE2 2.93Å; H461-I541 HydrophobicContact CB-CD1 4.49Å |
| 462 | P | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 13% | 0.129 | C | C | . | . | trans | -63.8 | 138.1 | 173.7 | 25.2 | -32.4 | 0 | 0 | 0 | 111.7 | Y148 V519 T521 Y542 | Y148-P462 HydrophobicContact CD2-CB 4.25Å; Y148-P462 HydrophobicContact CD2-CG 4.42Å; Y148-P462 HydrophobicContact CE1-CB 4.25Å; Y148-P462 HydrophobicContact CE2-CB 3.59Å; Y148-P462 HydrophobicContact CE2-CG 4.2Å; Y148-P462 VanDerWaalsContact CZ-CA 3.5Å; P462-V519 HydrophobicContact CB-CG2 4.25Å; P462-V519 HydrophobicContact CG-CG2 4.25Å; P462-T521 HydrophobicContact CG-CG2 3.89Å; P462-Y542 PolarHBondContact O-OH 3.04Å | ||
| 463 | Q | 98.3 | Very high | 97 | Very high | 68 Ų | 68 | 27.4 Ų | 27.4 | 32% | 0.318 | 13% | 0.128 | S | C | . | . | S | Bend | trans | -99.3 | -40.2 | 167.3 | -60.6 | -177.4 | -6.8 | 0 | 0 | 110.6 | N374 M375 T376 | N374-Q463 CarbonylContact C-O 3.49Å; N374-Q463 WeakPolarHBondContact CA-O 3.41Å; N374-Q463 PolarHBondContact OD1-O 3.19Å; M375-Q463 PolarHBondContact N-O 3.04Å; T376-Q463 HydrophobicContact CG2-CB 3.75Å; T376-Q463 HydrophobicContact CG2-CG 3.72Å |
| 464 | I | 98.7 | Very high | 96.9 | Very high | 17 Ų | 17 | 25.6 Ų | 25.6 | 9% | 0.087 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 124 | 179.2 | -52.4 | -43.4 | 0 | 0 | 0 | 109.2 | W372 V373 N374 P573 P575 | W372-I464 HydrophobicContact CB-CG2 3.77Å; W372-I464 HydrophobicContact CG-CG2 4.2Å; V373-I464 WeakPolarHBondContact O-CA 3.25Å; N374-I464 HydrophobicContact CB-CD1 3.68Å; I464-P573 HydrophobicContact CD1-CB 4.08Å; I464-P573 HydrophobicContact CD1-CG 3.57Å; I464-P573 HydrophobicContact CG1-CG 4.34Å; I464-P573 HydrophobicContact CG2-CG 4.35Å; I464-P573 WeakPolarHBondContact CG2-O 3.42Å; I464-P575 HydrophobicContact CB-CB 4.15Å; I464-P575 HydrophobicContact CG2-CB 3.97Å |
| 465 | V | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 138 | -171 | -177.7 | 0 | 0 | 0 | 0 | 110.2 | V373 M375 P481 V519 T521 Y542 | V373-V465 PolarHBondContact N-O 3.3Å; V373-V465 PolarHBondContact O-N 3.25Å; M375-V465 HydrophobicContact CB-CG2 3.98Å; M375-V465 HydrophobicContact CG-CB 3.73Å; M375-V465 HydrophobicContact CG-CG1 4.4Å; M375-V465 HydrophobicContact CG-CG2 3.62Å; V465-P481 HydrophobicContact CG1-CB 3.59Å; V465-P481 HydrophobicContact CG1-CG 3.32Å; V465-V519 HydrophobicContact CB-CG1 4.48Å; V465-V519 HydrophobicContact CG1-CG1 3.85Å; V465-T521 HydrophobicContact CG1-CG2 3.93Å; V465-T521 HydrophobicContact CG2-CG2 3.74Å; V465-Y542 HydrophobicContact CG2-CE2 4.23Å; V465-Y542 VanDerWaalsContact CG2-OH 3.26Å; V465-Y542 WeakPolarHBondContact CG2-OH 3.33Å |
| 466 | D | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 129.1 | 173.5 | -64.1 | -115.1 | 0 | 0 | 0 | 110.6 | Q108 R111 H370 W372 P481 N518 V519 | Q108-D466 PolarHBondContact NE2-OD2 3.03Å; Q108-D466 PolarHBondContact OE1-OD2 3.4Å; Q108-D466 VanDerWaalsContact OE1-OD2 3.1Å; R111-D466 IonicContact CZ-OD1 3.34Å; R111-D466 IonicContact NE-OD1 2.81Å; R111-D466 PolarHBondContact NE-OD1 3.43Å; R111-D466 IonicContact NH2-OD1 2.82Å; R111-D466 PolarHBondContact NH2-OD1 3.05Å; H370-D466 IonicContact CD2-OD1 2.77Å; H370-D466 IonicContact CE1-OD1 3.91Å; H370-D466 IonicContact NE2-OD1 2.76Å; H370-D466 PolarHBondContact NE2-OD1 3.18Å; W372-D466 PolarHBondContact NE1-OD1 2.9Å; W372-D466 VanDerWaalsContact NE1-OD1 3.14Å; D466-P481 WeakPolarHBondContact O-CG 3.31Å; D466-N518 HydrophobicContact CB-CB 3.78Å; D466-V519 HydrophobicContact CB-CG1 4.24Å |
| 467 | V | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.06 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 130.6 | 161.2 | -63.3 | 0 | 0 | 0 | 0 | 108.3 | H370 Q371 V373 Y550 K553 Y554 L557 | H370-V467 VanDerWaalsContact CA-O 3.31Å; H370-V467 WeakPolarHBondContact CA-O 3.35Å; Q371-V467 HydrophobicContact CB-CG2 3.92Å; Q371-V467 PolarHBondContact N-O 3.36Å; Q371-V467 PolarHBondContact O-N 2.75Å; V373-V467 HydrophobicContact CG2-CG1 4.33Å; V373-V467 HydrophobicContact CG2-CG2 3.66Å; V467-Y550 HydrophobicContact CG1-CD1 4.09Å; V467-Y550 HydrophobicContact CG1-CE1 4.06Å; V467-K553 HydrophobicContact CG2-CB 4.4Å; V467-Y554 HydrophobicContact CB-CE1 3.99Å; V467-Y554 HydrophobicContact CB-CE2 4.41Å; V467-Y554 HydrophobicContact CG1-CE2 4.15Å; V467-L557 HydrophobicContact CB-CD2 4.37Å; V467-L557 HydrophobicContact CG2-CD1 3.84Å; V467-L557 HydrophobicContact CG2-CD2 4.06Å; V467-L557 WeakPolarHBondContact O-CD2 3.3Å |
| 468 | Q | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 5% | 0.051 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 140.2 | -173.8 | -178 | -179.5 | 23.8 | 0 | 0 | 112.3 | H128 D129 V131 V132 A369 H370 A479 N518 | H128-Q468 PolarHBondContact O-NE2 3.34Å; D129-Q468 VanDerWaalsContact C-NE2 3.27Å; D129-Q468 PolarHBondContact O-NE2 2.97Å; V131-Q468 PolarHBondContact O-NE2 2.69Å; V131-Q468 PolarHBondContact O-OE1 2.52Å; V132-Q468 HydrophobicContact CG2-CG 4.18Å; A369-Q468 VanDerWaalsContact O-CA 3.31Å; A369-Q468 WeakPolarHBondContact O-CA 3.26Å; H370-Q468 HydrophobicContact CB-CB 4.36Å; H370-Q468 HydrophobicContact CB-CG 4.21Å; Q468-A479 HydrophobicContact CB-CB 4.11Å; Q468-A479 PolarHBondContact O-N 2.81Å; Q468-N518 PolarHBondContact OE1-ND2 3.13Å |
| 469 | I | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.048 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 131.7 | 168.7 | -58.5 | 179.9 | 0 | 0 | 0 | 107.7 | F368 A369 T471 A476 V477 V478 V496 Y554 L557 A558 I561 | F368-I469 CarbonylContact C-O 3.5Å; F368-I469 VanDerWaalsContact CA-O 3.24Å; F368-I469 WeakPolarHBondContact CA-O 3.46Å; A369-I469 PolarHBondContact N-O 2.84Å; A369-I469 PolarHBondContact O-N 3.38Å; I469-T471 HydrophobicContact CG2-CG2 4.18Å; I469-A476 HydrophobicContact CG2-CB 4.32Å; I469-V477 WeakPolarHBondContact CA-O 3.29Å; I469-V478 HydrophobicContact CD1-CG2 4.49Å; I469-V478 HydrophobicContact CG1-CG1 4.36Å; I469-V478 HydrophobicContact CG1-CG2 4.32Å; I469-V496 HydrophobicContact CD1-CG1 4.1Å; I469-V496 HydrophobicContact CD1-CG2 4.26Å; I469-Y554 HydrophobicContact CD1-CD1 3.94Å; I469-Y554 HydrophobicContact CG1-CD1 3.74Å; I469-Y554 HydrophobicContact CG1-CE1 4.18Å; I469-L557 HydrophobicContact CD1-CB 3.93Å; I469-L557 HydrophobicContact CG1-CB 4.28Å; I469-L557 HydrophobicContact CG1-CD2 4.32Å; I469-A558 HydrophobicContact CD1-CB 4.01Å; I469-I561 HydrophobicContact CB-CD1 3.75Å; I469-I561 HydrophobicContact CG2-CD1 3.7Å |
| 470 | I | 98.8 | Very high | 98.1 | Very high | 4 Ų | 4 | 7.6 Ų | 7.6 | 2% | 0.021 | 4% | 0.038 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 143.9 | 162.6 | 64.7 | 173.7 | 0 | 0 | 0 | 108.8 | V96 F98 V132 R367 F368 A476 V477 | V96-I470 HydrophobicContact CB-CB 4.47Å; V96-I470 HydrophobicContact CB-CD1 4.35Å; V96-I470 HydrophobicContact CB-CG2 4.46Å; V96-I470 HydrophobicContact CG1-CB 4.09Å; V96-I470 HydrophobicContact CG1-CG2 4.05Å; V96-I470 HydrophobicContact CG2-CD1 4.47Å; F98-I470 HydrophobicContact CB-CD1 4.18Å; F98-I470 HydrophobicContact CD2-CD1 4.47Å; V132-I470 HydrophobicContact CG2-CD1 4.04Å; V132-I470 HydrophobicContact CG2-CG1 4.26Å; V132-I470 HydrophobicContact CG2-CG2 3.83Å; R367-I470 CarbonylContact O-C 3.58Å; R367-I470 WeakPolarHBondContact O-CA 3.44Å; F368-I470 HydrophobicContact CB-CG2 3.92Å; I470-A476 CarbonylContact O-C 3.24Å; I470-A476 WeakPolarHBondContact O-CA 3.31Å; I470-V477 HydrophobicContact CD1-CB 4.31Å; I470-V477 HydrophobicContact CG1-CB 3.75Å; I470-V477 HydrophobicContact CG1-CG2 4.27Å; I470-V477 PolarHBondContact N-O 3.21Å; I470-V477 PolarHBondContact O-N 3.2Å |
| 471 | T | 98.1 | Very high | 98.2 | Very high | 0 Ų | 0 | 6 Ų | 6 | 0% | 0 | 3% | 0.032 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 133.9 | 171.9 | 73.1 | 0 | 0 | 0 | 0 | 109.9 | V366 R367 I469 V475 A476 I561 | V366-T471 VanDerWaalsContact CA-O 3.28Å; V366-T471 WeakPolarHBondContact CA-O 3.37Å; R367-T471 VanDerWaalsContact CB-OG1 3.27Å; R367-T471 WeakPolarHBondContact CB-OG1 3.42Å; R367-T471 PolarHBondContact N-O 3.39Å; R367-T471 PolarHBondContact N-OG1 3.31Å; R367-T471 PolarHBondContact O-N 3.35Å; I469-T471 HydrophobicContact CG2-CG2 4.18Å; T471-V475 CarbonylContact C-O 3.58Å; T471-V475 VanDerWaalsContact CA-O 3.24Å; T471-V475 WeakPolarHBondContact CA-O 3.45Å; T471-A476 HydrophobicContact CG2-CB 3.93Å; T471-I561 HydrophobicContact CG2-CD1 4.34Å; T471-I561 HydrophobicContact CG2-CG2 3.98Å |
| 472 | V | 97.4 | Very high | 98.2 | Very high | 9 Ų | 9 | 6 Ų | 6 | 6% | 0.055 | 3% | 0.032 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 100.7 | 169.5 | 177.7 | 0 | 0 | 0 | 0 | 106.2 | I89 V96 I186 V362 S474 V475 | I89-V472 HydrophobicContact CB-CG2 4.29Å; I89-V472 HydrophobicContact CD1-CG2 4.36Å; I89-V472 HydrophobicContact CG1-CG2 4.37Å; I89-V472 HydrophobicContact CG2-CG1 3.86Å; I89-V472 HydrophobicContact CG2-CG2 4.41Å; V96-V472 HydrophobicContact CG2-CG2 3.94Å; I186-V472 HydrophobicContact CD1-CG1 3.59Å; V362-V472 HydrophobicContact CG1-CG1 4.37Å; V362-V472 WeakPolarHBondContact CG1-O 3.39Å; V472-S474 PolarHBondContact O-N 2.79Å; V472-S474 VanDerWaalsContact O-N 3.12Å; V472-V475 PolarHBondContact N-O 3.47Å; V472-V475 PolarHBondContact O-N 3.27Å |
| 473 | G | 94.9 | Very high | 98.2 | Very high | 2 Ų | 2 | 6 Ų | 6 | 2% | 0.021 | 3% | 0.032 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | -118.8 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | T363 P365 V475 | T363-G473 CarbonylContact O-C 3.58Å; T363-G473 WeakPolarHBondContact O-CA 3.43Å; P365-G473 PolarHBondContact O-N 2.69Å; G473-V475 VanDerWaalsContact C-N 3.31Å; G473-V475 PolarHBondContact O-N 3.29Å |
| 474 | S | 94.8 | Very high | 98.3 | Very high | 17 Ų | 17 | 2.8 Ų | 2.8 | 12% | 0.119 | 2% | 0.017 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | 15.2 | 179 | 64.6 | 0 | 0 | 0 | 0 | 114.8 | R188 T363 V472 S509 E510 | R188-S474 PolarHBondContact NH1-O 3.16Å; R188-S474 PolarHBondContact NH1-OG 3.2Å; T363-S474 PolarHBondContact O-N 2.89Å; V472-S474 PolarHBondContact O-N 2.79Å; V472-S474 VanDerWaalsContact O-N 3.12Å; S474-S509 CarbonylContact O-C 3.6Å; S474-S509 VanDerWaalsContact O-CA 3.23Å; S474-S509 WeakPolarHBondContact O-CA 3.37Å; S474-E510 PolarHBondContact O-N 3.42Å |
| 475 | V | 98.1 | Very high | 98.3 | Very high | 1 Ų | 1 | 2.1 Ų | 2.1 | 1% | 0.006 | 1% | 0.014 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 123.5 | 178.6 | -177.5 | 0 | 0 | 0 | 0 | 110.2 | L227 V362 T471 V472 G473 E510 | L227-V475 HydrophobicContact CD1-CG1 4.18Å; L227-V475 HydrophobicContact CD2-CG1 4.33Å; L227-V475 HydrophobicContact CD2-CG2 3.98Å; V362-V475 HydrophobicContact CG1-CB 4.45Å; V362-V475 HydrophobicContact CG1-CG2 3.89Å; V362-V475 HydrophobicContact CG2-CG2 3.82Å; T471-V475 CarbonylContact C-O 3.58Å; T471-V475 VanDerWaalsContact CA-O 3.24Å; T471-V475 WeakPolarHBondContact CA-O 3.45Å; V472-V475 PolarHBondContact N-O 3.47Å; V472-V475 PolarHBondContact O-N 3.27Å; G473-V475 VanDerWaalsContact C-N 3.31Å; G473-V475 PolarHBondContact O-N 3.29Å; V475-E510 CarbonylContact C-O 3.59Å; V475-E510 WeakPolarHBondContact CA-O 3.24Å |
| 476 | A | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 2.1 Ų | 2.1 | 0% | 0 | 1% | 0.014 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 124.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | I469 I470 T471 L500 E510 V511 V512 | I469-A476 HydrophobicContact CG2-CB 4.32Å; I470-A476 CarbonylContact O-C 3.24Å; I470-A476 WeakPolarHBondContact O-CA 3.31Å; T471-A476 HydrophobicContact CG2-CB 3.93Å; A476-L500 HydrophobicContact CB-CD1 3.57Å; A476-E510 PolarHBondContact N-O 2.7Å; A476-V511 HydrophobicContact CB-CG2 4.32Å; A476-V511 WeakPolarHBondContact O-CA 3.38Å; A476-V512 PolarHBondContact O-N 3.37Å |
| 477 | V | 98.8 | Very high | 98.3 | Very high | 7 Ų | 7 | 2.1 Ų | 2.1 | 4% | 0.042 | 1% | 0.014 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 116.7 | 173.4 | -175.2 | 0 | 0 | 0 | 0 | 108.3 | F98 W242 I469 I470 V512 A514 | F98-V477 HydrophobicContact CD2-CG1 4.09Å; F98-V477 HydrophobicContact CE2-CG1 3.87Å; W242-V477 HydrophobicContact CH2-CG2 4.18Å; W242-V477 HydrophobicContact CZ2-CG1 4.12Å; W242-V477 HydrophobicContact CZ2-CG2 3.95Å; I469-V477 WeakPolarHBondContact CA-O 3.29Å; I470-V477 HydrophobicContact CD1-CB 4.31Å; I470-V477 HydrophobicContact CG1-CB 3.75Å; I470-V477 HydrophobicContact CG1-CG2 4.27Å; I470-V477 PolarHBondContact N-O 3.21Å; I470-V477 PolarHBondContact O-N 3.2Å; V477-V512 HydrophobicContact CB-CG2 4.11Å; V477-V512 HydrophobicContact CG1-CG2 4.17Å; V477-V512 HydrophobicContact CG2-CG2 3.76Å; V477-A514 HydrophobicContact CG1-CB 3.74Å |
| 478 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 2.1 Ų | 2.1 | 0% | 0 | 1% | 0.014 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 107.3 | -179.5 | -174 | 0 | 0 | 0 | 0 | 108.7 | I469 V480 L492 V496 V511 V512 I513 A514 Y554 | I469-V478 HydrophobicContact CD1-CG2 4.49Å; I469-V478 HydrophobicContact CG1-CG1 4.36Å; I469-V478 HydrophobicContact CG1-CG2 4.32Å; V478-V480 HydrophobicContact CG1-CG2 4.09Å; V478-V480 PolarHBondContact O-N 3.46Å; V478-L492 HydrophobicContact CG1-CD2 3.99Å; V478-V496 HydrophobicContact CG2-CG1 4.12Å; V478-V496 HydrophobicContact CG2-CG2 4.33Å; V478-V511 HydrophobicContact CG2-CG1 3.6Å; V478-V512 PolarHBondContact N-O 3.48Å; V478-I513 HydrophobicContact CB-CD1 3.95Å; V478-I513 HydrophobicContact CG1-CD1 4.26Å; V478-I513 HydrophobicContact CG2-CD1 4.44Å; V478-A514 PolarHBondContact O-N 2.66Å; V478-Y554 HydrophobicContact CG1-CD1 3.5Å; V478-Y554 VanDerWaalsContact CG1-CD1 3.5Å; V478-Y554 HydrophobicContact CG1-CD2 4.37Å; V478-Y554 HydrophobicContact CG1-CE1 3.43Å; V478-Y554 VanDerWaalsContact CG1-CE1 3.43Å; V478-Y554 HydrophobicContact CG1-CE2 4.35Å; V478-Y554 HydrophobicContact CG1-CG 4Å |
| 479 | A | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 2.1 Ų | 2.1 | 0% | 0 | 1% | 0.014 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 95.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | V132 Q468 Y554 | V132-A479 HydrophobicContact CG1-CB 3.7Å; V132-A479 HydrophobicContact CG2-CB 4.03Å; Q468-A479 HydrophobicContact CB-CB 4.11Å; Q468-A479 PolarHBondContact O-N 2.81Å; A479-Y554 PolarHBondContact O-OH 2.99Å |
| 480 | V | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 2.6 Ų | 2.6 | 0% | 0 | 2% | 0.015 | C | C | . | . | trans | -90.9 | 127 | -173.7 | 173.6 | 0 | 0 | 0 | 0 | 111.3 | V478 G482 M484 L492 I513 A514 G515 L516 S517 I524 Y554 | V478-V480 HydrophobicContact CG1-CG2 4.09Å; V478-V480 PolarHBondContact O-N 3.46Å; V480-G482 PolarHBondContact O-N 2.95Å; V480-M484 HydrophobicContact CG1-CE 3.61Å; V480-M484 HydrophobicContact CG1-CG 3.94Å; V480-M484 HydrophobicContact CG1-SD 3.87Å; V480-M484 HydrophobicContact CG2-CE 3.99Å; V480-M484 HydrophobicContact CG2-SD 3.98Å; V480-L492 HydrophobicContact CG2-CD2 3.77Å; V480-I513 HydrophobicContact CB-CG2 4.14Å; V480-I513 HydrophobicContact CG2-CD1 4.35Å; V480-I513 HydrophobicContact CG2-CG2 3.73Å; V480-A514 PolarHBondContact N-O 3.28Å; V480-G515 CarbonylContact O-C 3.54Å; V480-L516 PolarHBondContact O-N 3.34Å; V480-S517 PolarHBondContact O-N 3.37Å; V480-I524 HydrophobicContact CG1-CD1 4.35Å; V480-Y554 HydrophobicContact CG2-CE2 4.45Å | ||
| 481 | P | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 4.5 Ų | 4.5 | 0% | 0 | 2% | 0.022 | C | C | . | . | S | Bend | trans | -80.6 | 41.8 | -174.7 | 34.7 | -39.4 | 0 | 0 | 0 | 114.6 | V465 D466 S517 V519 T521 Y550 | V465-P481 HydrophobicContact CG1-CB 3.59Å; V465-P481 HydrophobicContact CG1-CG 3.32Å; D466-P481 WeakPolarHBondContact O-CG 3.31Å; P481-S517 VanDerWaalsContact CA-O 3.28Å; P481-S517 WeakPolarHBondContact CA-O 3.43Å; P481-V519 CarbonylContact C-O 3.52Å; P481-V519 WeakPolarHBondContact CA-O 3.5Å; P481-V519 HydrophobicContact CB-CG1 3.69Å; P481-V519 WeakPolarHBondContact CB-O 3.33Å; P481-T521 HydrophobicContact CB-CG2 4.43Å; P481-T521 PolarHBondContact O-N 2.84Å; P481-T521 PolarHBondContact O-OG1 2.73Å; P481-Y550 HydrophobicContact CG-CE1 3.85Å; P481-Y550 WeakPolarHBondContact CG-OH 2.87Å |
| 482 | G | 98.4 | Very high | 98.3 | Very high | 0 Ų | 0 | 4.5 Ų | 4.5 | 0% | 0 | 2% | 0.022 | C | C | . | . | S | Bend | trans | 169.9 | -160.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | V480 L516 H522 | V480-G482 PolarHBondContact O-N 2.95Å; G482-L516 PolarHBondContact O-N 3.26Å; G482-L516 VanDerWaalsContact O-N 3.14Å; G482-H522 CarbonylContact C-O 3.57Å; G482-H522 VanDerWaalsContact CA-O 3.25Å; G482-H522 WeakPolarHBondContact CA-O 3.43Å |
| 483 | E | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 5.8 Ų | 5.8 | 1% | 0.005 | 3% | 0.026 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 88.8 | -173.4 | -65.2 | -179.8 | -114 | 0 | 0 | 110.7 | H137 H246 L293 L516 Y520 H522 Y523 I524 | H137-E483 IonicContact CD2-OE2 2.58Å; H137-E483 IonicContact CE1-OE1 3.67Å; H137-E483 IonicContact CE1-OE2 2.69Å; H137-E483 IonicContact NE2-OE1 3.24Å; H137-E483 IonicContact NE2-OE2 3.82Å; H137-E483 PolarHBondContact NE2-OE2 3.37Å; H246-E483 IonicContact CD2-OE2 3.93Å; H246-E483 IonicContact CE1-OE2 3.26Å; H246-E483 PolarHBondContact CE1-OE2 3.15Å; H246-E483 IonicContact NE2-OE2 3.84Å; H246-E483 PolarHBondContact NE2-OE2 2.82Å; L293-E483 HydrophobicContact CD1-CG 4.08Å; E483-L516 HydrophobicContact CG-CD1 4.33Å; E483-L516 HydrophobicContact CG-CD2 4.46Å; E483-L516 HydrophobicContact CG-CG 4.33Å; E483-Y520 HydrophobicContact CG-CE2 4.17Å; E483-Y520 PolarHBondContact OE1-OH 2.98Å; E483-H522 PolarHBondContact N-O 2.89Å; E483-Y523 HydrophobicContact CB-CD1 3.59Å; E483-Y523 HydrophobicContact CB-CE1 3.63Å; E483-Y523 HydrophobicContact CB-CG 4.11Å; E483-Y523 HydrophobicContact CG-CE1 4.22Å; E483-Y523 CarbonylContact O-C 3.58Å; E483-Y523 WeakPolarHBondContact O-CA 3.2Å; E483-Y523 WeakPolarHBondContact OE1-CE2 3.13Å; E483-Y523 PolarHBondContact OE1-OH 2.73Å; E483-Y523 WeakPolarHBondContact OE2-CE1 3.19Å; E483-Y523 PolarHBondContact OE2-OH 2.94Å; E483-I524 PolarHBondContact O-N 2.86Å |
| 484 | M | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 9.2 Ų | 9.2 | 1% | 0.005 | 4% | 0.042 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 134 | 171.6 | -84.5 | 179.3 | -174.6 | 0 | 0 | 111 | N292 L293 G294 V480 L492 I524 L547 Y550 | N292-M484 CarbonylContact C-O 3.59Å; N292-M484 VanDerWaalsContact CA-O 3.3Å; N292-M484 WeakPolarHBondContact CA-O 3.15Å; N292-M484 HydrophobicContact CB-CB 3.88Å; L293-M484 PolarHBondContact N-O 3.34Å; G294-M484 WeakPolarHBondContact CA-O 3.28Å; G294-M484 PolarHBondContact N-O 3.24Å; V480-M484 HydrophobicContact CG1-CE 3.61Å; V480-M484 HydrophobicContact CG1-CG 3.94Å; V480-M484 HydrophobicContact CG1-SD 3.87Å; V480-M484 HydrophobicContact CG2-CE 3.99Å; V480-M484 HydrophobicContact CG2-SD 3.98Å; M484-L492 HydrophobicContact CE-CD2 3.44Å; M484-L492 VanDerWaalsContact CE-CD2 3.44Å; M484-L492 HydrophobicContact SD-CB 4.26Å; M484-L492 HydrophobicContact SD-CD2 3.53Å; M484-L492 VanDerWaalsContact SD-CD2 3.53Å; M484-I524 WeakPolarHBondContact CA-O 3.28Å; M484-I524 HydrophobicContact CE-CG2 4.15Å; M484-I524 HydrophobicContact CG-CB 3.71Å; M484-I524 HydrophobicContact CG-CD1 4.22Å; M484-I524 HydrophobicContact CG-CG1 4.27Å; M484-I524 HydrophobicContact CG-CG2 4.02Å; M484-L547 HydrophobicContact CE-CD1 4.3Å; M484-Y550 HydrophobicContact CE-CD2 4.25Å; M484-Y550 HydrophobicContact CE-CG 4.31Å |
| 485 | T | 98.9 | Very high | 98.8 | Very high | 2 Ų | 2 | 9 Ų | 9 | 1% | 0.012 | 4% | 0.04 | C | C | . | . | trans | -63.5 | 168 | 165.8 | 58.9 | 0 | 0 | 0 | 0 | 111.7 | N292 D295 M487 S488 G489 I524 T525 E529 E536 | N292-T485 PolarHBondContact ND2-O 3.43Å; D295-T485 HydrophobicContact CB-CG2 4.08Å; D295-T485 WeakPolarHBondContact OD1-CA 3.32Å; T485-M487 PolarHBondContact O-N 3.25Å; T485-S488 PolarHBondContact O-N 3.48Å; T485-S488 WeakPolarHBondContact OG1-CB 3.42Å; T485-S488 PolarHBondContact OG1-N 2.76Å; T485-S488 PolarHBondContact OG1-OG 2.78Å; T485-G489 PolarHBondContact O-N 2.93Å; T485-I524 PolarHBondContact N-O 3.01Å; T485-I524 PolarHBondContact OG1-O 2.95Å; T485-T525 HydrophobicContact CG2-CG2 3.78Å; T485-E529 VanDerWaalsContact CB-OE2 3.3Å; T485-E529 WeakPolarHBondContact CB-OE2 3.38Å; T485-E529 PolarHBondContact OG1-OE2 3.35Å; T485-E536 HydrophobicContact CG2-CB 4.19Å; T485-E536 HydrophobicContact CG2-CG 4.38Å | ||
| 486 | T | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 8.9 Ų | 8.9 | 0% | 0 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -51 | -54.3 | 178.6 | -63.6 | 0 | 0 | 0 | 0 | 111.3 | Y205 N219 N292 D295 V296 G489 R490 | Y205-T486 HydrophobicContact CE2-CG2 4.27Å; N219-T486 PolarHBondContact O-OG1 2.87Å; N292-T486 WeakPolarHBondContact ND2-CA 3.42Å; N292-T486 PolarHBondContact ND2-O 2.64Å; N292-T486 VanDerWaalsContact ND2-O 3.1Å; D295-T486 WeakPolarHBondContact OD1-CB 3.31Å; D295-T486 PolarHBondContact OD1-N 3.24Å; D295-T486 PolarHBondContact OD1-OG1 3.41Å; V296-T486 WeakPolarHBondContact CG2-OG1 3.38Å; T486-G489 PolarHBondContact O-N 3.12Å; T486-R490 VanDerWaalsContact O-CG 3.31Å; T486-R490 WeakPolarHBondContact O-CG 3.38Å; T486-R490 PolarHBondContact O-N 2.9Å; T486-R490 VanDerWaalsContact O-N 3.1Å |
| 487 | M | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -73.3 | -32.6 | -177.4 | -165.5 | 59.9 | 74.8 | 0 | 0 | 113 | Y205 N208 E212 R213 Y216 T485 G489 R490 R491 T526 E529 | Y205-M487 HydrophobicContact CE2-CB 4.46Å; Y205-M487 HydrophobicContact CE2-CE 3.7Å; N208-M487 HydrophobicContact CB-CG 4.38Å; E212-M487 VanDerWaalsContact CD-SD 3.58Å; E212-M487 HydrophobicContact CG-CE 4.16Å; E212-M487 HydrophobicContact CG-SD 3.92Å; R213-M487 HydrophobicContact CG-CE 4.15Å; Y216-M487 HydrophobicContact CD2-CE 3.93Å; Y216-M487 HydrophobicContact CD2-SD 4.45Å; Y216-M487 HydrophobicContact CE2-CE 3.85Å; Y216-M487 HydrophobicContact CE2-SD 3.81Å; T485-M487 PolarHBondContact O-N 3.25Å; M487-G489 PolarHBondContact O-N 3.21Å; M487-R490 PolarHBondContact O-N 3.25Å; M487-R490 HydrophobicContact SD-CB 4.11Å; M487-R491 HydrophobicContact CG-CG 4.47Å; M487-R491 WeakPolarHBondContact O-CG 3.03Å; M487-R491 PolarHBondContact O-N 3.27Å; M487-T526 HydrophobicContact CB-CG2 3.72Å; M487-T526 HydrophobicContact CG-CG2 3.86Å; M487-E529 WeakPolarHBondContact CB-OE1 3.34Å |
| 488 | S | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -58.1 | -48.2 | 172.5 | -66.1 | 0 | 0 | 0 | 0 | 112.1 | T485 R491 L492 I524 T525 T526 | T485-S488 PolarHBondContact O-N 3.48Å; T485-S488 WeakPolarHBondContact OG1-CB 3.42Å; T485-S488 PolarHBondContact OG1-N 2.76Å; T485-S488 PolarHBondContact OG1-OG 2.78Å; S488-R491 PolarHBondContact O-N 2.97Å; S488-L492 WeakPolarHBondContact O-CB 3.47Å; S488-L492 PolarHBondContact O-N 3.48Å; S488-I524 WeakPolarHBondContact CB-O 3.11Å; S488-I524 PolarHBondContact OG-O 3.38Å; S488-T525 WeakPolarHBondContact OG-CA 3.31Å; S488-T526 PolarHBondContact OG-N 3.28Å |
| 489 | G | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -64.6 | -40.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | T485 T486 M487 L492 R493 | T485-G489 PolarHBondContact O-N 2.93Å; T486-G489 PolarHBondContact O-N 3.12Å; M487-G489 PolarHBondContact O-N 3.21Å; G489-L492 PolarHBondContact O-N 2.81Å; G489-R493 WeakPolarHBondContact O-CG 3.33Å; G489-R493 PolarHBondContact O-N 3.2Å |
| 490 | R | 98.9 | Very high | 98.5 | Very high | 10 Ų | 10 | 20.5 Ų | 20.5 | 4% | 0.038 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -57.7 | -53.1 | 173.6 | -73.4 | 166.9 | 177.1 | 177.9 | 5.4 | 112.2 | Y205 Y216 S218 T220 D221 T486 M487 L492 R493 E494 | Y205-R490 PolarHBondContact OH-NH1 3Å; Y216-R490 VanDerWaalsContact CB-NH1 3.31Å; Y216-R490 HydrophobicContact CD1-CG 4.47Å; Y216-R490 HydrophobicContact CE1-CB 4.28Å; Y216-R490 HydrophobicContact CE1-CG 3.89Å; Y216-R490 VanDerWaalsContact CG-NH1 3.28Å; S218-R490 PolarHBondContact O-NH1 2.95Å; S218-R490 PolarHBondContact O-NH2 2.94Å; T220-R490 PolarHBondContact O-NH2 3.05Å; D221-R490 IonicContact OD1-CZ 3.84Å; D221-R490 IonicContact OD1-NE 2.88Å; D221-R490 PolarHBondContact OD1-NE 3.35Å; D221-R490 IonicContact OD1-NH2 3.68Å; D221-R490 PolarHBondContact OD1-NH2 3.14Å; D221-R490 IonicContact OD2-NE 3.9Å; T486-R490 VanDerWaalsContact O-CG 3.31Å; T486-R490 WeakPolarHBondContact O-CG 3.38Å; T486-R490 PolarHBondContact O-N 2.9Å; T486-R490 VanDerWaalsContact O-N 3.1Å; M487-R490 PolarHBondContact O-N 3.25Å; M487-R490 HydrophobicContact SD-CB 4.11Å; R490-L492 VanDerWaalsContact C-N 3.28Å; R490-L492 PolarHBondContact O-N 3.19Å; R490-R493 PolarHBondContact O-N 3.2Å; R490-E494 WeakPolarHBondContact O-CG 3.5Å; R490-E494 PolarHBondContact O-N 3.48Å |
| 491 | R | 98.9 | Very high | 98.3 | Very high | 44 Ų | 44 | 22.9 Ų | 22.9 | 17% | 0.166 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -57.9 | -41.7 | 178.3 | -72.8 | 179.5 | 176.9 | -177.4 | 2.9 | 111.5 | E212 M487 S488 A495 E528 L551 | E212-R491 WeakPolarHBondContact OE1-CG 3.49Å; E212-R491 IonicContact OE1-CZ 3.2Å; E212-R491 IonicContact OE1-NE 3.57Å; E212-R491 PolarHBondContact OE1-NE 2.91Å; E212-R491 IonicContact OE1-NH2 3.96Å; E212-R491 IonicContact OE2-CZ 3.98Å; E212-R491 IonicContact OE2-NE 2.86Å; E212-R491 PolarHBondContact OE2-NE 2.9Å; E212-R491 IonicContact OE2-NH2 3.65Å; E212-R491 PolarHBondContact OE2-NH2 2.87Å; M487-R491 HydrophobicContact CG-CG 4.47Å; M487-R491 WeakPolarHBondContact O-CG 3.03Å; M487-R491 PolarHBondContact O-N 3.27Å; S488-R491 PolarHBondContact O-N 2.97Å; R491-A495 VanDerWaalsContact O-CB 3.28Å; R491-A495 WeakPolarHBondContact O-CB 3.26Å; R491-A495 PolarHBondContact O-N 2.99Å; R491-E528 IonicContact CZ-OE1 3.87Å; R491-E528 IonicContact CZ-OE2 2.93Å; R491-E528 IonicContact NH1-OE1 2.95Å; R491-E528 PolarHBondContact NH1-OE1 3.16Å; R491-E528 IonicContact NH1-OE2 3.75Å; R491-E528 PolarHBondContact NH1-OE2 3.49Å; R491-E528 VanDerWaalsContact NH2-CD 3.34Å; R491-E528 IonicContact NH2-OE1 3.88Å; R491-E528 PolarHBondContact NH2-OE1 2.85Å; R491-E528 IonicContact NH2-OE2 2.94Å; R491-E528 PolarHBondContact NH2-OE2 2.91Å; R491-L551 HydrophobicContact CB-CD2 4.24Å |
| 492 | L | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -67.5 | -46.9 | 178.9 | -178.4 | 61 | 0 | 0 | 0 | 112.8 | V478 V480 M484 S488 G489 R490 E494 A495 V496 I513 L551 Y554 | V478-L492 HydrophobicContact CG1-CD2 3.99Å; V480-L492 HydrophobicContact CG2-CD2 3.77Å; M484-L492 HydrophobicContact CE-CD2 3.44Å; M484-L492 VanDerWaalsContact CE-CD2 3.44Å; M484-L492 HydrophobicContact SD-CB 4.26Å; M484-L492 HydrophobicContact SD-CD2 3.53Å; M484-L492 VanDerWaalsContact SD-CD2 3.53Å; S488-L492 WeakPolarHBondContact O-CB 3.47Å; S488-L492 PolarHBondContact O-N 3.48Å; G489-L492 PolarHBondContact O-N 2.81Å; R490-L492 VanDerWaalsContact C-N 3.28Å; R490-L492 PolarHBondContact O-N 3.19Å; L492-E494 VanDerWaalsContact C-N 3.31Å; L492-E494 PolarHBondContact O-N 2.85Å; L492-A495 PolarHBondContact O-N 3.08Å; L492-V496 HydrophobicContact CD1-CG2 3.96Å; L492-V496 HydrophobicContact CG-CG2 4.46Å; L492-V496 WeakPolarHBondContact O-CG2 3.3Å; L492-V496 PolarHBondContact O-N 2.76Å; L492-I513 HydrophobicContact CB-CD1 4.39Å; L492-I513 HydrophobicContact CD2-CD1 3.78Å; L492-I513 HydrophobicContact CG-CD1 4.05Å; L492-L551 VanDerWaalsContact CA-CD2 3.46Å; L492-L551 HydrophobicContact CB-CD2 3.99Å; L492-L551 HydrophobicContact CD1-CD2 3.97Å; L492-Y554 HydrophobicContact CD1-CD2 3.68Å; L492-Y554 HydrophobicContact CD1-CG 3.87Å; L492-Y554 HydrophobicContact CD2-CD2 3.88Å; L492-Y554 HydrophobicContact CD2-CE2 4.17Å; L492-Y554 HydrophobicContact CD2-CG 4.47Å; L492-Y554 HydrophobicContact CG-CD2 4.45Å |
| 493 | R | 98.8 | Very high | 97.3 | Very high | 37 Ų | 37 | 28.6 Ų | 28.6 | 14% | 0.14 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -56.6 | -46.4 | 175.8 | -76.1 | -168.1 | -67.7 | -108 | -3 | 111.4 | D221 N292 G489 R490 K497 V511 I513 | D221-R493 VanDerWaalsContact CG-NH2 3.27Å; D221-R493 IonicContact OD1-NH2 3.09Å; D221-R493 IonicContact OD2-CZ 3.64Å; D221-R493 IonicContact OD2-NH1 2.62Å; D221-R493 IonicContact OD2-NH2 3.34Å; D221-R493 PolarHBondContact OD2-NH2 2.9Å; N292-R493 PolarHBondContact OD1-NH1 2.62Å; G489-R493 WeakPolarHBondContact O-CG 3.33Å; G489-R493 PolarHBondContact O-N 3.2Å; R490-R493 PolarHBondContact O-N 3.2Å; R493-K497 WeakPolarHBondContact O-CB 2.82Å; R493-K497 PolarHBondContact O-N 3.2Å; R493-V511 HydrophobicContact CB-CB 4.46Å; R493-V511 HydrophobicContact CB-CG1 4.37Å; R493-V511 WeakPolarHBondContact CD-O 3.42Å; R493-V511 HydrophobicContact CG-CB 4.43Å; R493-V511 HydrophobicContact CG-CG1 4.13Å; R493-I513 HydrophobicContact CG-CD1 3.81Å; R493-I513 HydrophobicContact CG-CG1 3.75Å |
| 494 | E | 98.5 | Very high | 96.6 | Very high | 74 Ų | 74 | 33.4 Ų | 33.4 | 35% | 0.346 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -63.6 | -43.6 | 178.5 | -70.1 | -173 | 168.3 | 0 | 0 | 112.5 | R215 Y216 R490 L492 K497 K498 | R215-E494 IonicContact CZ-OE1 3.35Å; R215-E494 IonicContact CZ-OE2 3.89Å; R215-E494 IonicContact NH1-OE1 3.55Å; R215-E494 IonicContact NH1-OE2 2.73Å; R215-E494 PolarHBondContact NH1-OE2 2.82Å; R215-E494 IonicContact NH2-OE1 3.56Å; R215-E494 PolarHBondContact NH2-OE1 2.93Å; R215-E494 IonicContact NH2-OE2 3.91Å; R215-E494 PolarHBondContact NH2-OE2 3.4Å; Y216-E494 PolarHBondContact OH-OE1 3.4Å; R490-E494 WeakPolarHBondContact O-CG 3.5Å; R490-E494 PolarHBondContact O-N 3.48Å; L492-E494 VanDerWaalsContact C-N 3.31Å; L492-E494 PolarHBondContact O-N 2.85Å; E494-K497 PolarHBondContact O-N 3.24Å; E494-K498 WeakPolarHBondContact O-CB 3.38Å; E494-K498 PolarHBondContact O-N 3.32Å |
| 495 | A | 98.5 | Very high | 95.8 | Very high | 11 Ų | 11 | 37.4 Ų | 37.4 | 9% | 0.091 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.2 | -45.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | R491 L492 E499 L551 R555 | R491-A495 VanDerWaalsContact O-CB 3.28Å; R491-A495 WeakPolarHBondContact O-CB 3.26Å; R491-A495 PolarHBondContact O-N 2.99Å; L492-A495 PolarHBondContact O-N 3.08Å; A495-E499 PolarHBondContact O-N 2.92Å; A495-L551 HydrophobicContact CB-CD2 3.92Å; A495-R555 HydrophobicContact CB-CG 4.02Å |
| 496 | V | 98.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.2 | -45.7 | 177.2 | 168.5 | 0 | 0 | 0 | 0 | 111 | I469 V478 L492 K498 E499 L500 V511 A558 | I469-V496 HydrophobicContact CD1-CG1 4.1Å; I469-V496 HydrophobicContact CD1-CG2 4.26Å; V478-V496 HydrophobicContact CG2-CG1 4.12Å; V478-V496 HydrophobicContact CG2-CG2 4.33Å; L492-V496 HydrophobicContact CD1-CG2 3.96Å; L492-V496 HydrophobicContact CG-CG2 4.46Å; L492-V496 WeakPolarHBondContact O-CG2 3.3Å; L492-V496 PolarHBondContact O-N 2.76Å; V496-K498 VanDerWaalsContact C-N 3.27Å; V496-K498 PolarHBondContact O-N 3.16Å; V496-E499 PolarHBondContact O-N 2.83Å; V496-E499 VanDerWaalsContact O-N 3.16Å; V496-L500 HydrophobicContact CG1-CD1 3.77Å; V496-L500 HydrophobicContact CG1-CG 4.25Å; V496-L500 WeakPolarHBondContact O-CG 3.39Å; V496-L500 PolarHBondContact O-N 3.48Å; V496-V511 HydrophobicContact CB-CG1 4.16Å; V496-V511 HydrophobicContact CG1-CG1 3.88Å; V496-V511 HydrophobicContact CG1-CG2 4.1Å; V496-A558 HydrophobicContact CG1-CB 4.01Å |
| 497 | K | 98.3 | Very high | 94.7 | Very high | 81 Ų | 81 | 46.6 Ų | 46.6 | 35% | 0.352 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -58.2 | -41.6 | 178.4 | -172 | 164.8 | -177.1 | 159 | 0 | 111.2 | R493 E494 E499 L500 T501 S509 E510 V511 | R493-K497 WeakPolarHBondContact O-CB 2.82Å; R493-K497 PolarHBondContact O-N 3.2Å; E494-K497 PolarHBondContact O-N 3.24Å; K497-E499 PolarHBondContact O-N 3.01Å; K497-L500 PolarHBondContact O-N 3.37Å; K497-T501 HydrophobicContact CG-CG2 4.08Å; K497-T501 WeakPolarHBondContact O-CB 3.39Å; K497-T501 WeakPolarHBondContact O-CG2 3.42Å; K497-T501 PolarHBondContact O-N 3.09Å; K497-T501 PolarHBondContact O-OG1 3.35Å; K497-S509 WeakPolarHBondContact CE-O 3.38Å; K497-S509 PolarHBondContact NZ-O 2.95Å; K497-E510 IonicContact NZ-OE2 3.05Å; K497-E510 PolarHBondContact NZ-OE2 3.01Å; K497-V511 HydrophobicContact CB-CG2 3.72Å; K497-V511 HydrophobicContact CG-CG2 4.28Å |
| 498 | K | 97.4 | Very high | 94.2 | Very high | 139 Ų | 139 | 52.1 Ų | 52.1 | 60% | 0.604 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -59.6 | -43.8 | 176.7 | -175.2 | 179.3 | 179.2 | 179.9 | 0 | 112.7 | E494 V496 T501 | E494-K498 WeakPolarHBondContact O-CB 3.38Å; E494-K498 PolarHBondContact O-N 3.32Å; V496-K498 VanDerWaalsContact C-N 3.27Å; V496-K498 PolarHBondContact O-N 3.16Å; K498-T501 PolarHBondContact O-OG1 3.44Å |
| 499 | E | 97.6 | Very high | 94 | Very high | 30 Ų | 30 | 52.2 Ų | 52.2 | 14% | 0.14 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -70.5 | -43.8 | 178.8 | -63.8 | -55.9 | 142.9 | 0 | 0 | 112 | A495 V496 K497 T501 S502 R555 A558 | A495-E499 PolarHBondContact O-N 2.92Å; V496-E499 PolarHBondContact O-N 2.83Å; V496-E499 VanDerWaalsContact O-N 3.16Å; K497-E499 PolarHBondContact O-N 3.01Å; E499-T501 PolarHBondContact O-N 2.73Å; E499-S502 WeakPolarHBondContact O-CB 3.41Å; E499-S502 PolarHBondContact O-N 3.32Å; E499-S502 PolarHBondContact O-OG 3.23Å; E499-R555 HydrophobicContact CG-CB 3.91Å; E499-R555 HydrophobicContact CG-CG 3.92Å; E499-R555 IonicContact OE1-CZ 3.91Å; E499-R555 IonicContact OE1-NE 3.57Å; E499-R555 IonicContact OE1-NH1 3.47Å; E499-R555 IonicContact OE1-NH2 2.7Å; E499-R555 PolarHBondContact OE1-NH2 3.42Å; E499-A558 HydrophobicContact CB-CB 3.82Å |
| 500 | L | 95.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.8 | -47.5 | 179 | -71.1 | 175.2 | 0 | 0 | 0 | 111.8 | A476 V496 K497 S502 V503 F506 V511 A558 I561 | A476-L500 HydrophobicContact CB-CD1 3.57Å; V496-L500 HydrophobicContact CG1-CD1 3.77Å; V496-L500 HydrophobicContact CG1-CG 4.25Å; V496-L500 WeakPolarHBondContact O-CG 3.39Å; V496-L500 PolarHBondContact O-N 3.48Å; K497-L500 PolarHBondContact O-N 3.37Å; L500-S502 PolarHBondContact O-N 3.03Å; L500-S502 VanDerWaalsContact O-N 3.09Å; L500-V503 PolarHBondContact O-N 3.36Å; L500-F506 HydrophobicContact CB-CB 4.22Å; L500-F506 VanDerWaalsContact O-CB 3.28Å; L500-F506 WeakPolarHBondContact O-CB 3.1Å; L500-V511 HydrophobicContact CD1-CG2 4.29Å; L500-A558 HydrophobicContact CD2-CB 4.21Å; L500-A558 HydrophobicContact CG-CB 4.14Å; L500-I561 HydrophobicContact CD2-CB 4.36Å; L500-I561 HydrophobicContact CD2-CG2 4.06Å |
| 501 | T | 94.4 | Very high | 93.8 | Very high | 50 Ų | 50 | 53.3 Ų | 53.3 | 31% | 0.307 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -0.4 | -176.2 | 57.7 | 0 | 0 | 0 | 0 | 114.3 | K497 K498 E499 V503 F506 R507 | K497-T501 HydrophobicContact CG-CG2 4.08Å; K497-T501 WeakPolarHBondContact O-CB 3.39Å; K497-T501 WeakPolarHBondContact O-CG2 3.42Å; K497-T501 PolarHBondContact O-N 3.09Å; K497-T501 PolarHBondContact O-OG1 3.35Å; K498-T501 PolarHBondContact O-OG1 3.44Å; E499-T501 PolarHBondContact O-N 2.73Å; T501-V503 PolarHBondContact O-N 3.11Å; T501-F506 WeakPolarHBondContact CG2-O 3.13Å; T501-R507 WeakPolarHBondContact CG2-O 3.46Å |
| 502 | S | 90.3 | Very high | 93.8 | Very high | 76 Ų | 76 | 51.5 Ų | 51.5 | 53% | 0.531 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -18.4 | 173.5 | 69.9 | 0 | 0 | 0 | 0 | 113.5 | E499 L500 | E499-S502 WeakPolarHBondContact O-CB 3.41Å; E499-S502 PolarHBondContact O-N 3.32Å; E499-S502 PolarHBondContact O-OG 3.23Å; L500-S502 PolarHBondContact O-N 3.03Å; L500-S502 VanDerWaalsContact O-N 3.09Å |
| 503 | V | 86.4 | Confident | 93.8 | Very high | 44 Ų | 44 | 51.5 Ų | 51.5 | 27% | 0.267 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -117.5 | 143.3 | 178.4 | -178.1 | 0 | 0 | 0 | 0 | 109.8 | L500 T501 T505 F506 A562 | L500-V503 PolarHBondContact O-N 3.36Å; T501-V503 PolarHBondContact O-N 3.11Å; V503-T505 VanDerWaalsContact C-N 3.26Å; V503-T505 PolarHBondContact O-N 3.32Å; V503-F506 PolarHBondContact O-N 3.3Å; V503-F506 VanDerWaalsContact O-N 3.16Å; V503-A562 HydrophobicContact CG2-CB 4.13Å; V503-A562 WeakPolarHBondContact CG2-O 3.29Å |
| 504 | S | 82.8 | Confident | 93.8 | Very high | 103 Ų | 103 | 49.8 Ų | 49.8 | 72% | 0.72 | 26% | 0.259 | S | S | * | . | G | 310 helix | trans | -57.9 | -34.4 | -174.7 | 52.8 | 0 | 0 | 0 | 0 | 114 | F506 R507 | S504-F506 PolarHBondContact O-N 2.89Å; S504-R507 WeakPolarHBondContact O-CB 3.37Å; S504-R507 PolarHBondContact O-N 3.15Å |
| 505 | T | 83.9 | Confident | 93.8 | Very high | 85 Ų | 85 | 46.3 Ų | 46.3 | 52% | 0.521 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | -55.6 | -33.5 | 178.9 | -50.9 | 0 | 0 | 0 | 0 | 112.9 | P365 V503 | P365-T505 HydrophobicContact CG-CG2 4Å; V503-T505 VanDerWaalsContact C-N 3.26Å; V503-T505 PolarHBondContact O-N 3.32Å |
| 506 | F | 87.9 | Confident | 93.8 | Very high | 6 Ų | 6 | 45.8 Ų | 45.8 | 3% | 0.026 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -116 | 21 | -172.8 | -66.5 | -67.9 | 0 | 0 | 0 | 112.4 | P365 R367 L500 T501 V503 S504 N508 S509 I561 A562 | P365-F506 HydrophobicContact CG-CZ 4.29Å; R367-F506 HydrophobicContact CG-CZ 4.04Å; L500-F506 HydrophobicContact CB-CB 4.22Å; L500-F506 VanDerWaalsContact O-CB 3.28Å; L500-F506 WeakPolarHBondContact O-CB 3.1Å; T501-F506 WeakPolarHBondContact CG2-O 3.13Å; V503-F506 PolarHBondContact O-N 3.3Å; V503-F506 VanDerWaalsContact O-N 3.16Å; S504-F506 PolarHBondContact O-N 2.89Å; F506-N508 PolarHBondContact O-N 3.37Å; F506-S509 WeakPolarHBondContact CB-OG 3.07Å; F506-S509 VanDerWaalsContact O-CB 3.28Å; F506-S509 WeakPolarHBondContact O-CB 3.21Å; F506-S509 PolarHBondContact O-N 3.02Å; F506-S509 VanDerWaalsContact O-N 3.12Å; F506-S509 PolarHBondContact O-OG 3.33Å; F506-I561 HydrophobicContact CE2-CG2 4.21Å; F506-I561 HydrophobicContact CZ-CG2 4.03Å; F506-A562 HydrophobicContact CD2-CB 4.45Å |
| 507 | R | 86.8 | Confident | 93.8 | Very high | 189 Ų | 189 | 45.8 Ų | 45.8 | 71% | 0.713 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -32.1 | -174.3 | -173.2 | 175.1 | -178.8 | 175.3 | 0.6 | 113.8 | T501 S504 | T501-R507 WeakPolarHBondContact CG2-O 3.46Å; S504-R507 WeakPolarHBondContact O-CB 3.37Å; S504-R507 PolarHBondContact O-N 3.15Å |
| 508 | N | 88.2 | Confident | 93.8 | Very high | 116 Ų | 116 | 41.9 Ų | 41.9 | 62% | 0.62 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -104.5 | 25.6 | -178.5 | -63.3 | -18.4 | 0 | 0 | 0 | 112.4 | R188 F506 E510 | R188-N508 PolarHBondContact NH1-O 2.98Å; R188-N508 VanDerWaalsContact NH1-O 3.07Å; R188-N508 PolarHBondContact NH2-O 3.14Å; R188-N508 VanDerWaalsContact NH2-O 3.07Å; F506-N508 PolarHBondContact O-N 3.37Å; N508-E510 PolarHBondContact O-N 3.23Å |
| 509 | S | 93.2 | Very high | 93.9 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.007 | 19% | 0.194 | C | C | . | . | trans | -64.8 | 130.8 | -176.4 | -75 | 0 | 0 | 0 | 0 | 112.7 | S474 K497 F506 | S474-S509 CarbonylContact O-C 3.6Å; S474-S509 VanDerWaalsContact O-CA 3.23Å; S474-S509 WeakPolarHBondContact O-CA 3.37Å; K497-S509 WeakPolarHBondContact CE-O 3.38Å; K497-S509 PolarHBondContact NZ-O 2.95Å; F506-S509 WeakPolarHBondContact CB-OG 3.07Å; F506-S509 VanDerWaalsContact O-CB 3.28Å; F506-S509 WeakPolarHBondContact O-CB 3.21Å; F506-S509 PolarHBondContact O-N 3.02Å; F506-S509 VanDerWaalsContact O-N 3.12Å; F506-S509 PolarHBondContact O-OG 3.33Å | ||
| 510 | E | 96.3 | Very high | 93.9 | Very high | 32 Ų | 32 | 34.3 Ų | 34.3 | 15% | 0.15 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 137.3 | 169.2 | -168.6 | 49.2 | -127.8 | 0 | 0 | 109 | R188 R190 L225 S474 V475 A476 K497 N508 | R188-E510 VanDerWaalsContact NH1-CB 3.29Å; R190-E510 IonicContact CZ-OE1 3.96Å; R190-E510 IonicContact NE-OE1 2.9Å; R190-E510 VanDerWaalsContact NH2-CD 3.33Å; R190-E510 IonicContact NH2-OE1 3.22Å; R190-E510 PolarHBondContact NH2-OE1 2.78Å; L225-E510 HydrophobicContact CD1-CG 3.62Å; S474-E510 PolarHBondContact O-N 3.42Å; V475-E510 CarbonylContact C-O 3.59Å; V475-E510 WeakPolarHBondContact CA-O 3.24Å; A476-E510 PolarHBondContact N-O 2.7Å; K497-E510 IonicContact NZ-OE2 3.05Å; K497-E510 PolarHBondContact NZ-OE2 3.01Å; N508-E510 PolarHBondContact O-N 3.23Å |
| 511 | V | 98.4 | Very high | 94.1 | Very high | 2 Ų | 2 | 34.4 Ų | 34.4 | 1% | 0.012 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 122.3 | -173.6 | -175.2 | 0 | 0 | 0 | 0 | 108.9 | A476 V478 R493 V496 K497 L500 | A476-V511 HydrophobicContact CB-CG2 4.32Å; A476-V511 WeakPolarHBondContact O-CA 3.38Å; V478-V511 HydrophobicContact CG2-CG1 3.6Å; R493-V511 HydrophobicContact CB-CB 4.46Å; R493-V511 HydrophobicContact CB-CG1 4.37Å; R493-V511 WeakPolarHBondContact CD-O 3.42Å; R493-V511 HydrophobicContact CG-CB 4.43Å; R493-V511 HydrophobicContact CG-CG1 4.13Å; V496-V511 HydrophobicContact CB-CG1 4.16Å; V496-V511 HydrophobicContact CG1-CG1 3.88Å; V496-V511 HydrophobicContact CG1-CG2 4.1Å; K497-V511 HydrophobicContact CB-CG2 3.72Å; K497-V511 HydrophobicContact CG-CG2 4.28Å; L500-V511 HydrophobicContact CD1-CG2 4.29Å |
| 512 | V | 98.4 | Very high | 94.3 | Very high | 5 Ų | 5 | 32.3 Ų | 32.3 | 3% | 0.03 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 147.4 | 172.6 | -64.8 | 0 | 0 | 0 | 0 | 110.9 | L225 W242 A476 V477 V478 | L225-V512 HydrophobicContact CB-CG1 4.08Å; L225-V512 HydrophobicContact CD1-CG1 4.41Å; L225-V512 HydrophobicContact CD2-CG1 3.43Å; L225-V512 VanDerWaalsContact CD2-CG1 3.43Å; L225-V512 HydrophobicContact CG-CG1 4.13Å; W242-V512 HydrophobicContact CD2-CB 4.27Å; W242-V512 HydrophobicContact CD2-CG1 4.48Å; W242-V512 HydrophobicContact CD2-CG2 4.02Å; W242-V512 HydrophobicContact CE3-CG1 4.47Å; W242-V512 HydrophobicContact CE3-CG2 4.35Å; W242-V512 HydrophobicContact CG-CB 4.27Å; W242-V512 HydrophobicContact CG-CG2 4.46Å; W242-V512 HydrophobicContact CH2-CG2 4.45Å; W242-V512 HydrophobicContact CZ2-CG2 4.15Å; A476-V512 PolarHBondContact O-N 3.37Å; V477-V512 HydrophobicContact CB-CG2 4.11Å; V477-V512 HydrophobicContact CG1-CG2 4.17Å; V477-V512 HydrophobicContact CG2-CG2 3.76Å; V478-V512 PolarHBondContact N-O 3.48Å |
| 513 | I | 98.8 | Very high | 94.7 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 129.1 | 169.5 | -58.9 | -53.7 | 0 | 0 | 0 | 106.9 | W242 S291 N292 V478 V480 L492 R493 | W242-I513 VanDerWaalsContact CD1-O 3.28Å; S291-I513 WeakPolarHBondContact CA-O 3.49Å; S291-I513 PolarHBondContact OG-O 3.24Å; N292-I513 HydrophobicContact CB-CG2 4.38Å; V478-I513 HydrophobicContact CB-CD1 3.95Å; V478-I513 HydrophobicContact CG1-CD1 4.26Å; V478-I513 HydrophobicContact CG2-CD1 4.44Å; V480-I513 HydrophobicContact CB-CG2 4.14Å; V480-I513 HydrophobicContact CG2-CD1 4.35Å; V480-I513 HydrophobicContact CG2-CG2 3.73Å; L492-I513 HydrophobicContact CB-CD1 4.39Å; L492-I513 HydrophobicContact CD2-CD1 3.78Å; L492-I513 HydrophobicContact CG-CD1 4.05Å; R493-I513 HydrophobicContact CG-CD1 3.81Å; R493-I513 HydrophobicContact CG-CG1 3.75Å |
| 514 | A | 98.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 99.8 | 164 | 0 | 0 | 0 | 0 | 0 | 107.3 | F98 V477 V478 V480 S517 | F98-A514 HydrophobicContact CE2-CB 3.79Å; F98-A514 HydrophobicContact CZ-CB 4.17Å; V477-A514 HydrophobicContact CG1-CB 3.74Å; V478-A514 PolarHBondContact O-N 2.66Å; V480-A514 PolarHBondContact N-O 3.28Å; A514-S517 PolarHBondContact O-OG 3.05Å |
| 515 | G | 98.5 | Very high | 96.1 | Very high | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.01 | 11% | 0.106 | C | C | . | . | trans | -65.9 | 167.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | S134 S290 V480 S517 | S134-G515 PolarHBondContact OG-O 3.44Å; S290-G515 PolarHBondContact O-N 2.92Å; S290-G515 PolarHBondContact OG-O 3.16Å; S290-G515 VanDerWaalsContact OG-O 3.1Å; V480-G515 CarbonylContact O-C 3.54Å; G515-S517 PolarHBondContact O-N 3.16Å; G515-S517 PolarHBondContact O-OG 3.22Å | ||
| 516 | L | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 8% | 0.081 | C | C | . | . | S | Bend | trans | 54.8 | 32.9 | 170.1 | -58.2 | 96.8 | 0 | 0 | 0 | 114.3 | G104 M105 V106 G135 H137 S290 L293 V480 G482 E483 | G104-L516 WeakPolarHBondContact O-CD2 3.46Å; M105-L516 HydrophobicContact CB-CD2 4.1Å; M105-L516 HydrophobicContact CG-CD2 3.78Å; V106-L516 PolarHBondContact N-O 3.46Å; G135-L516 PolarHBondContact N-O 3.07Å; H137-L516 HydrophobicContact CB-CD1 4.02Å; H137-L516 HydrophobicContact CB-CD2 3.59Å; H137-L516 HydrophobicContact CB-CG 4.47Å; H137-L516 WeakPolarHBondContact ND1-CD2 3.46Å; S290-L516 WeakPolarHBondContact OG-CD1 3.32Å; L293-L516 HydrophobicContact CD1-CD1 4.21Å; L293-L516 HydrophobicContact CD2-CD1 4.08Å; L293-L516 HydrophobicContact CG-CD1 4.29Å; V480-L516 PolarHBondContact O-N 3.34Å; G482-L516 PolarHBondContact O-N 3.26Å; G482-L516 VanDerWaalsContact O-N 3.14Å; E483-L516 HydrophobicContact CG-CD1 4.33Å; E483-L516 HydrophobicContact CG-CD2 4.46Å; E483-L516 HydrophobicContact CG-CG 4.33Å |
| 517 | S | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 10% | 0.098 | C | C | . | . | B | Isolated β-bridge | trans | -93.8 | 138.5 | -172.9 | -63.7 | 0 | 0 | 0 | 0 | 111.7 | L133 S134 V480 P481 A514 G515 V519 | L133-S517 CarbonylContact O-C 3.6Å; L133-S517 WeakPolarHBondContact O-CA 3.39Å; S134-S517 WeakPolarHBondContact CB-OG 3.39Å; V480-S517 PolarHBondContact O-N 3.37Å; P481-S517 VanDerWaalsContact CA-O 3.28Å; P481-S517 WeakPolarHBondContact CA-O 3.43Å; A514-S517 PolarHBondContact O-OG 3.05Å; G515-S517 PolarHBondContact O-N 3.16Å; G515-S517 PolarHBondContact O-OG 3.22Å; S517-V519 PolarHBondContact O-N 2.94Å |
| 518 | N | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 7% | 0.073 | C | C | . | . | S | Bend | trans | 67.7 | -50.6 | 168.3 | -59.7 | -23.8 | 0 | 0 | 0 | 116.9 | V106 R111 L133 D466 Q468 | V106-N518 WeakPolarHBondContact CG1-O 3.28Å; R111-N518 VanDerWaalsContact CB-O 3.31Å; R111-N518 WeakPolarHBondContact CB-O 3.39Å; R111-N518 VanDerWaalsContact CD-CB 3.41Å; R111-N518 VanDerWaalsContact CD-O 3.32Å; R111-N518 WeakPolarHBondContact CD-O 3.3Å; R111-N518 VanDerWaalsContact CZ-CG 3.47Å; R111-N518 PolarHBondContact NH1-OD1 3.25Å; L133-N518 PolarHBondContact N-OD1 2.77Å; L133-N518 VanDerWaalsContact N-OD1 3.14Å; L133-N518 PolarHBondContact O-N 3.09Å; D466-N518 HydrophobicContact CB-CB 3.78Å; Q468-N518 PolarHBondContact OE1-ND2 3.13Å |
| 519 | V | 98.7 | Very high | 98.4 | Very high | 1 Ų | 1 | 10 Ų | 10 | 1% | 0.006 | 4% | 0.044 | C | C | . | . | S | Bend | trans | -148.8 | 147.8 | 176.1 | 52.5 | 0 | 0 | 0 | 0 | 108.4 | V106 Q108 P462 V465 D466 P481 S517 T521 | V106-V519 CarbonylContact O-C 3.57Å; V106-V519 WeakPolarHBondContact O-CA 3.24Å; Q108-V519 HydrophobicContact CB-CB 4.05Å; Q108-V519 HydrophobicContact CB-CG2 3.73Å; Q108-V519 HydrophobicContact CG-CG2 4.38Å; P462-V519 HydrophobicContact CB-CG2 4.25Å; P462-V519 HydrophobicContact CG-CG2 4.25Å; V465-V519 HydrophobicContact CB-CG1 4.48Å; V465-V519 HydrophobicContact CG1-CG1 3.85Å; D466-V519 HydrophobicContact CB-CG1 4.24Å; P481-V519 CarbonylContact C-O 3.52Å; P481-V519 WeakPolarHBondContact CA-O 3.5Å; P481-V519 HydrophobicContact CB-CG1 3.69Å; P481-V519 WeakPolarHBondContact CB-O 3.33Å; S517-V519 PolarHBondContact O-N 2.94Å; V519-T521 HydrophobicContact CG2-CG2 4.46Å |
| 520 | Y | 98.8 | Very high | 98.6 | Very high | 9 Ų | 9 | 10 Ų | 10 | 4% | 0.035 | 4% | 0.044 | C | C | . | . | trans | -102.3 | 124 | -179.6 | -178.4 | -113.9 | 0 | 0 | 0 | 112.1 | M105 V106 F146 F151 E483 | M105-Y520 HydrophobicContact CB-CD1 4.48Å; M105-Y520 HydrophobicContact CB-CD2 3.81Å; M105-Y520 HydrophobicContact CB-CE2 4.48Å; M105-Y520 HydrophobicContact CB-CG 3.79Å; M105-Y520 HydrophobicContact CE-CD1 4.25Å; M105-Y520 HydrophobicContact CE-CE1 3.63Å; M105-Y520 HydrophobicContact CE-CE2 4.05Å; M105-Y520 HydrophobicContact CG-CD1 3.97Å; M105-Y520 HydrophobicContact CG-CD2 3.4Å; M105-Y520 VanDerWaalsContact CG-CD2 3.4Å; M105-Y520 HydrophobicContact CG-CE1 4.14Å; M105-Y520 HydrophobicContact CG-CE2 3.6Å; M105-Y520 HydrophobicContact CG-CG 3.58Å; V106-Y520 PolarHBondContact O-N 2.88Å; F146-Y520 HydrophobicContact CE1-CD1 4.33Å; F151-Y520 AromaticContact CE1-CD1 3.65Å; F151-Y520 HydrophobicContact CE1-CD1 3.65Å; F151-Y520 AromaticContact CE1-CE1 3.66Å; F151-Y520 HydrophobicContact CE1-CE1 3.66Å; F151-Y520 HydrophobicContact CE2-CD1 4.43Å; F151-Y520 AromaticContact CZ-CD1 3.6Å; F151-Y520 HydrophobicContact CZ-CD1 3.6Å; F151-Y520 AromaticContact CZ-CE1 3.96Å; F151-Y520 HydrophobicContact CZ-CE1 3.96Å; E483-Y520 HydrophobicContact CG-CE2 4.17Å; E483-Y520 PolarHBondContact OE1-OH 2.98Å | ||
| 521 | T | 98.8 | Very high | 98.8 | Very high | 1 Ų | 1 | 10.8 Ų | 10.8 | 1% | 0.006 | 5% | 0.048 | C | C | . | . | trans | -125.2 | 33.3 | 179.7 | 75.9 | 0 | 0 | 0 | 0 | 112.7 | P462 V465 P481 V519 Y542 Y550 | P462-T521 HydrophobicContact CG-CG2 3.89Å; V465-T521 HydrophobicContact CG1-CG2 3.93Å; V465-T521 HydrophobicContact CG2-CG2 3.74Å; P481-T521 HydrophobicContact CB-CG2 4.43Å; P481-T521 PolarHBondContact O-N 2.84Å; P481-T521 PolarHBondContact O-OG1 2.73Å; V519-T521 HydrophobicContact CG2-CG2 4.46Å; T521-Y542 HydrophobicContact CG2-CE2 4.1Å; T521-Y550 PolarHBondContact OG1-OH 2.86Å | ||
| 522 | H | 98.7 | Very high | 98.7 | Very high | 7 Ų | 7 | 11.7 Ų | 11.7 | 3% | 0.032 | 5% | 0.053 | C | C | . | . | B | Isolated β-bridge | trans | 58.8 | -136.6 | -175.7 | -67.1 | -102.2 | 0 | 0 | 0 | 112.9 | F151 F399 H461 G482 E483 S539 I541 | F151-H522 AromaticContact CE1-CE1 3.89Å; F151-H522 AromaticContact CE1-NE2 3.28Å; F151-H522 VanDerWaalsContact CE1-NE2 3.28Å; F151-H522 WeakPolarHBondContact CE1-NE2 3.4Å; F151-H522 AromaticContact CZ-CD2 3.72Å; F151-H522 AromaticContact CZ-NE2 3.31Å; F151-H522 VanDerWaalsContact CZ-NE2 3.31Å; F151-H522 WeakPolarHBondContact CZ-NE2 3.4Å; F399-H522 AromaticContact CE2-CE1 3.85Å; H461-H522 AromaticContact CE1-CD2 3.69Å; H461-H522 AromaticContact CE1-NE2 3.55Å; H461-H522 AromaticContact NE2-CD2 3.25Å; H461-H522 PolarHBondContact NE2-CD2 2.83Å; H461-H522 AromaticContact NE2-NE2 2.94Å; H461-H522 PolarHBondContact NE2-NE2 2.93Å; G482-H522 CarbonylContact C-O 3.57Å; G482-H522 VanDerWaalsContact CA-O 3.25Å; G482-H522 WeakPolarHBondContact CA-O 3.43Å; E483-H522 PolarHBondContact N-O 2.89Å; H522-S539 WeakPolarHBondContact CB-O 3.46Å; H522-I541 HydrophobicContact CB-CG2 4.07Å |
| 523 | Y | 98.9 | Very high | 98.7 | Very high | 6 Ų | 6 | 11.4 Ų | 11.4 | 2% | 0.024 | 5% | 0.051 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 158.1 | -166.7 | -72 | -95.2 | 0 | 0 | 0 | 111.8 | R200 G294 E483 Y535 E536 S539 T540 | R200-Y523 VanDerWaalsContact NH2-CZ 3.34Å; R200-Y523 PolarHBondContact NH2-OH 3.11Å; G294-Y523 WeakPolarHBondContact O-CE1 3.45Å; E483-Y523 HydrophobicContact CB-CD1 3.59Å; E483-Y523 HydrophobicContact CB-CE1 3.63Å; E483-Y523 HydrophobicContact CB-CG 4.11Å; E483-Y523 HydrophobicContact CG-CE1 4.22Å; E483-Y523 CarbonylContact O-C 3.58Å; E483-Y523 WeakPolarHBondContact O-CA 3.2Å; E483-Y523 WeakPolarHBondContact OE1-CE2 3.13Å; E483-Y523 PolarHBondContact OE1-OH 2.73Å; E483-Y523 WeakPolarHBondContact OE2-CE1 3.19Å; E483-Y523 PolarHBondContact OE2-OH 2.94Å; Y523-Y535 HydrophobicContact CD2-CE1 4.09Å; Y523-Y535 HydrophobicContact CE1-CE1 4.49Å; Y523-Y535 HydrophobicContact CE2-CD1 4.06Å; Y523-Y535 AromaticContact CE2-CE1 3.29Å; Y523-Y535 HydrophobicContact CE2-CE1 3.29Å; Y523-Y535 AromaticContact CZ-CE1 3.54Å; Y523-E536 WeakPolarHBondContact CB-O 3Å; Y523-E536 HydrophobicContact CD1-CB 3.86Å; Y523-E536 HydrophobicContact CD1-CG 3.55Å; Y523-E536 HydrophobicContact CE1-CG 3.87Å; Y523-E536 HydrophobicContact CG-CB 4.14Å; Y523-E536 HydrophobicContact CG-CG 4.26Å; Y523-S539 PolarHBondContact N-O 2.87Å; Y523-S539 VanDerWaalsContact N-O 3.17Å; Y523-T540 WeakPolarHBondContact O-CA 3.46Å; Y523-T540 PolarHBondContact O-OG1 2.69Å |
| 524 | I | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 5% | 0.051 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 104.8 | 172.6 | -55.6 | 87.8 | 0 | 0 | 0 | 107.5 | V480 E483 M484 T485 S488 T546 L547 Y550 | V480-I524 HydrophobicContact CG1-CD1 4.35Å; E483-I524 PolarHBondContact O-N 2.86Å; M484-I524 WeakPolarHBondContact CA-O 3.28Å; M484-I524 HydrophobicContact CE-CG2 4.15Å; M484-I524 HydrophobicContact CG-CB 3.71Å; M484-I524 HydrophobicContact CG-CD1 4.22Å; M484-I524 HydrophobicContact CG-CG1 4.27Å; M484-I524 HydrophobicContact CG-CG2 4.02Å; T485-I524 PolarHBondContact N-O 3.01Å; T485-I524 PolarHBondContact OG1-O 2.95Å; S488-I524 WeakPolarHBondContact CB-O 3.11Å; S488-I524 PolarHBondContact OG-O 3.38Å; I524-T546 HydrophobicContact CG1-CG2 4.23Å; I524-T546 HydrophobicContact CG2-CG2 4.25Å; I524-L547 HydrophobicContact CG2-CB 3.95Å; I524-L547 HydrophobicContact CG2-CD1 4.07Å; I524-Y550 HydrophobicContact CD1-CE2 4.39Å; I524-Y550 HydrophobicContact CG1-CD2 3.99Å; I524-Y550 HydrophobicContact CG1-CE2 3.62Å; I524-Y550 HydrophobicContact CG2-CD2 4.06Å; I524-Y550 HydrophobicContact CG2-CE2 4.48Å |
| 525 | T | 98.9 | Very high | 98.7 | Very high | 4 Ų | 4 | 13.1 Ų | 13.1 | 3% | 0.025 | 6% | 0.058 | C | C | . | . | trans | -94.3 | 163.3 | 172.2 | 61.3 | 0 | 0 | 0 | 0 | 111.8 | T485 S488 E529 Y530 E536 T540 L547 | T485-T525 HydrophobicContact CG2-CG2 3.78Å; S488-T525 WeakPolarHBondContact OG-CA 3.31Å; T525-E529 HydrophobicContact CG2-CB 4.26Å; T525-Y530 WeakPolarHBondContact OG1-CB 3.21Å; T525-E536 VanDerWaalsContact CG2-C 3.43Å; T525-E536 HydrophobicContact CG2-CB 3.62Å; T525-T540 PolarHBondContact N-OG1 3.16Å; T525-T540 PolarHBondContact OG1-OG1 2.88Å; T525-L547 WeakPolarHBondContact O-CB 3.13Å | ||
| 526 | T | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 6% | 0.058 | C | C | . | . | trans | -64.3 | 165.3 | 163 | 69.6 | 0 | 0 | 0 | 0 | 110.4 | N208 M487 S488 E528 E529 Y530 L547 | N208-T526 WeakPolarHBondContact OD1-CB 3.23Å; N208-T526 WeakPolarHBondContact OD1-CG2 3.41Å; N208-T526 PolarHBondContact OD1-OG1 2.88Å; M487-T526 HydrophobicContact CB-CG2 3.72Å; M487-T526 HydrophobicContact CG-CG2 3.86Å; S488-T526 PolarHBondContact OG-N 3.28Å; T526-E528 WeakPolarHBondContact CB-OE2 3.38Å; T526-E528 PolarHBondContact O-N 3.04Å; T526-E528 PolarHBondContact OG1-N 3.34Å; T526-E528 PolarHBondContact OG1-OE2 3.36Å; T526-E529 PolarHBondContact N-OE2 3.36Å; T526-E529 PolarHBondContact O-N 2.93Å; T526-E529 WeakPolarHBondContact OG1-CB 3.39Å; T526-E529 VanDerWaalsContact OG1-CG 3.26Å; T526-E529 WeakPolarHBondContact OG1-CG 3.26Å; T526-E529 PolarHBondContact OG1-N 2.64Å; T526-Y530 VanDerWaalsContact O-CB 3.31Å; T526-Y530 WeakPolarHBondContact O-CB 3.3Å; T526-Y530 PolarHBondContact O-N 3.3Å; T526-L547 HydrophobicContact CG2-CD2 3.86Å | ||
| 527 | Y | 98.8 | Very high | 98.7 | Very high | 100 Ų | 100 | 13.3 Ų | 13.3 | 39% | 0.392 | 6% | 0.059 | S | C | . | . | H | α-helix | trans | -58.2 | -39.8 | 173.7 | 177.7 | -88.8 | 0 | 0 | 0 | 110.4 | Y530 Q531 P544 H545 | Y527-Y530 WeakPolarHBondContact O-CB 3.41Å; Y527-Y530 PolarHBondContact O-N 3.28Å; Y527-Q531 HydrophobicContact CD1-CG 4.41Å; Y527-Q531 HydrophobicContact CE1-CG 4.12Å; Y527-Q531 VanDerWaalsContact O-CG 3.3Å; Y527-Q531 WeakPolarHBondContact O-CG 3.3Å; Y527-Q531 PolarHBondContact O-N 2.95Å; Y527-Q531 PolarHBondContact O-NE2 3Å; Y527-P544 HydrophobicContact CD2-CB 3.75Å; Y527-P544 HydrophobicContact CE2-CB 3.73Å; Y527-P544 HydrophobicContact CE2-CG 4.42Å; Y527-H545 AromaticContact CD2-CE1 3.47Å; Y527-H545 VanDerWaalsContact CD2-CE1 3.47Å; Y527-H545 WeakPolarHBondContact CD2-CE1 3.33Å; Y527-H545 AromaticContact CD2-ND1 3.72Å; Y527-H545 AromaticContact CE2-CE1 3.37Å; Y527-H545 WeakPolarHBondContact CE2-CE1 3.4Å; Y527-H545 AromaticContact CE2-NE2 3.87Å |
| 528 | E | 98.8 | Very high | 98.7 | Very high | 38 Ų | 38 | 13.3 Ų | 13.3 | 18% | 0.178 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -69.1 | -49.1 | -178.5 | -58.3 | 90.6 | 150.1 | 0 | 0 | 111.5 | N207 P209 R491 T526 Y530 Q531 | N207-E528 PolarHBondContact ND2-O 2.9Å; N207-E528 WeakPolarHBondContact O-CB 3.4Å; P209-E528 WeakPolarHBondContact CD-OE1 3.48Å; R491-E528 IonicContact CZ-OE1 3.87Å; R491-E528 IonicContact CZ-OE2 2.93Å; R491-E528 IonicContact NH1-OE1 2.95Å; R491-E528 PolarHBondContact NH1-OE1 3.16Å; R491-E528 IonicContact NH1-OE2 3.75Å; R491-E528 PolarHBondContact NH1-OE2 3.49Å; R491-E528 VanDerWaalsContact NH2-CD 3.34Å; R491-E528 IonicContact NH2-OE1 3.88Å; R491-E528 PolarHBondContact NH2-OE1 2.85Å; R491-E528 IonicContact NH2-OE2 2.94Å; R491-E528 PolarHBondContact NH2-OE2 2.91Å; T526-E528 WeakPolarHBondContact CB-OE2 3.38Å; T526-E528 PolarHBondContact O-N 3.04Å; T526-E528 PolarHBondContact OG1-N 3.34Å; T526-E528 PolarHBondContact OG1-OE2 3.36Å; E528-Y530 PolarHBondContact O-N 3.28Å; E528-Q531 WeakPolarHBondContact O-CB 3.29Å; E528-Q531 PolarHBondContact O-N 2.79Å; E528-Q531 VanDerWaalsContact O-N 3.15Å |
| 529 | E | 98.9 | Very high | 98.7 | Very high | 2 Ų | 2 | 13.3 Ų | 13.3 | 1% | 0.009 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -60 | -36.6 | 174.3 | -74.9 | 161.2 | -170.8 | 0 | 0 | 111.8 | S204 N208 T485 M487 T525 T526 Q531 V532 | S204-E529 WeakPolarHBondContact O-CG 3.45Å; N208-E529 PolarHBondContact ND2-OE1 3.11Å; T485-E529 VanDerWaalsContact CB-OE2 3.3Å; T485-E529 WeakPolarHBondContact CB-OE2 3.38Å; T485-E529 PolarHBondContact OG1-OE2 3.35Å; M487-E529 WeakPolarHBondContact CB-OE1 3.34Å; T525-E529 HydrophobicContact CG2-CB 4.26Å; T526-E529 PolarHBondContact N-OE2 3.36Å; T526-E529 PolarHBondContact O-N 2.93Å; T526-E529 WeakPolarHBondContact OG1-CB 3.39Å; T526-E529 VanDerWaalsContact OG1-CG 3.26Å; T526-E529 WeakPolarHBondContact OG1-CG 3.26Å; T526-E529 PolarHBondContact OG1-N 2.64Å; E529-Q531 VanDerWaalsContact C-N 3.27Å; E529-Q531 PolarHBondContact O-N 3.08Å; E529-V532 PolarHBondContact O-N 3.21Å |
| 530 | Y | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -59.2 | -37.8 | 176.3 | -174.4 | -87.1 | 0 | 0 | 0 | 111.8 | H442 K445 T525 T526 Y527 E528 V532 Q533 G537 T540 P544 | H442-Y530 PolarHBondContact ND1-OH 3.14Å; H442-Y530 VanDerWaalsContact ND1-OH 3.11Å; H442-Y530 WeakPolarHBondContact O-CE1 3.39Å; H442-Y530 PolarHBondContact O-OH 3.02Å; K445-Y530 HydrophobicContact CB-CE1 4.32Å; K445-Y530 VanDerWaalsContact CB-OH 3.3Å; K445-Y530 WeakPolarHBondContact CB-OH 3.44Å; K445-Y530 VanDerWaalsContact CE-OH 3.23Å; K445-Y530 WeakPolarHBondContact CE-OH 3.28Å; T525-Y530 WeakPolarHBondContact OG1-CB 3.21Å; T526-Y530 VanDerWaalsContact O-CB 3.31Å; T526-Y530 WeakPolarHBondContact O-CB 3.3Å; T526-Y530 PolarHBondContact O-N 3.3Å; Y527-Y530 WeakPolarHBondContact O-CB 3.41Å; Y527-Y530 PolarHBondContact O-N 3.28Å; E528-Y530 PolarHBondContact O-N 3.28Å; Y530-V532 PolarHBondContact O-N 2.91Å; Y530-V532 VanDerWaalsContact O-N 3.11Å; Y530-Q533 WeakPolarHBondContact O-CG 3.4Å; Y530-Q533 PolarHBondContact O-N 2.73Å; Y530-Q533 VanDerWaalsContact O-N 3.09Å; Y530-Q533 PolarHBondContact O-NE2 2.89Å; Y530-G537 WeakPolarHBondContact CD2-O 3.45Å; Y530-G537 WeakPolarHBondContact CE2-O 3.32Å; Y530-T540 HydrophobicContact CD2-CG2 3.96Å; Y530-T540 HydrophobicContact CE2-CG2 4.2Å; Y530-P544 HydrophobicContact CD1-CB 3.56Å; Y530-P544 HydrophobicContact CD1-CG 4.5Å; Y530-P544 HydrophobicContact CE1-CB 3.65Å; Y530-P544 HydrophobicContact CE1-CG 4.12Å; Y530-P544 HydrophobicContact CG-CB 4.06Å |
| 531 | Q | 98.6 | Very high | 98.7 | Very high | 50 Ų | 50 | 12.9 Ų | 12.9 | 23% | 0.234 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -61.9 | -24.5 | -177.7 | -54.9 | -46.3 | -64.2 | 0 | 0 | 113 | Y527 E528 E529 | Y527-Q531 HydrophobicContact CD1-CG 4.41Å; Y527-Q531 HydrophobicContact CE1-CG 4.12Å; Y527-Q531 VanDerWaalsContact O-CG 3.3Å; Y527-Q531 WeakPolarHBondContact O-CG 3.3Å; Y527-Q531 PolarHBondContact O-N 2.95Å; Y527-Q531 PolarHBondContact O-NE2 3Å; E528-Q531 WeakPolarHBondContact O-CB 3.29Å; E528-Q531 PolarHBondContact O-N 2.79Å; E528-Q531 VanDerWaalsContact O-N 3.15Å; E529-Q531 VanDerWaalsContact C-N 3.27Å; E529-Q531 PolarHBondContact O-N 3.08Å |
| 532 | V | 98.1 | Very high | 98.7 | Very high | 20 Ų | 20 | 12.9 Ų | 12.9 | 12% | 0.121 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -78.6 | -24.4 | -178.9 | -172.6 | 0 | 0 | 0 | 0 | 111.7 | H203 N207 G415 E529 Y530 R534 | H203-V532 WeakPolarHBondContact ND1-CG1 3.33Å; N207-V532 HydrophobicContact CB-CG2 3.91Å; G415-V532 VanDerWaalsContact CA-O 3.31Å; G415-V532 WeakPolarHBondContact CA-O 3.38Å; E529-V532 PolarHBondContact O-N 3.21Å; Y530-V532 PolarHBondContact O-N 2.91Å; Y530-V532 VanDerWaalsContact O-N 3.11Å; V532-R534 VanDerWaalsContact C-N 3.28Å; V532-R534 HydrophobicContact CG1-CG 4.07Å; V532-R534 PolarHBondContact O-N 2.87Å |
| 533 | Q | 98.2 | Very high | 98.7 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 6% | 0.056 | C | C | . | . | trans | 52.7 | 39.4 | -179.9 | -69.7 | -62.8 | -60.5 | 0 | 0 | 114.8 | S398 G415 A416 V417 P444 K445 Y530 G537 A538 | S398-Q533 WeakPolarHBondContact CB-O 3.48Å; S398-Q533 PolarHBondContact OG-O 3.33Å; S398-Q533 VanDerWaalsContact OG-O 3.07Å; G415-Q533 VanDerWaalsContact CA-O 3.25Å; G415-Q533 WeakPolarHBondContact CA-O 3.32Å; G415-Q533 PolarHBondContact N-O 2.8Å; A416-Q533 PolarHBondContact N-O 2.96Å; A416-Q533 WeakPolarHBondContact O-CB 3.2Å; V417-Q533 HydrophobicContact CG1-CB 4.11Å; V417-Q533 HydrophobicContact CG1-CG 4.21Å; P444-Q533 HydrophobicContact CG-CG 4.49Å; K445-Q533 HydrophobicContact CB-CG 4.49Å; K445-Q533 VanDerWaalsContact CB-OE1 3.29Å; K445-Q533 VanDerWaalsContact CG-OE1 3.26Å; Y530-Q533 WeakPolarHBondContact O-CG 3.4Å; Y530-Q533 PolarHBondContact O-N 2.73Å; Y530-Q533 VanDerWaalsContact O-N 3.09Å; Y530-Q533 PolarHBondContact O-NE2 2.89Å; Q533-G537 PolarHBondContact NE2-O 3.35Å; Q533-A538 VanDerWaalsContact OE1-CA 3.28Å | ||
| 534 | R | 98.2 | Very high | 98.7 | Very high | 2 Ų | 2 | 12.7 Ų | 12.7 | 1% | 0.008 | 6% | 0.057 | C | C | . | . | trans | -66.2 | 179.6 | 157.8 | -72.5 | -172.1 | 59.3 | 90.6 | -3.7 | 110.9 | R200 S201 S204 L315 S317 Q414 V532 E536 G537 A538 | R200-R534 PolarHBondContact O-NH2 3.27Å; S201-R534 PolarHBondContact OG-NE 2.79Å; S204-R534 WeakPolarHBondContact OG-CD 3.46Å; L315-R534 PolarHBondContact O-NH1 2.82Å; S317-R534 PolarHBondContact OG-NH1 3.18Å; S317-R534 PolarHBondContact OG-NH2 2.89Å; Q414-R534 HydrophobicContact CB-CB 4.4Å; Q414-R534 HydrophobicContact CB-CG 4.21Å; Q414-R534 VanDerWaalsContact OE1-CZ 3.24Å; V532-R534 VanDerWaalsContact C-N 3.28Å; V532-R534 HydrophobicContact CG1-CG 4.07Å; V532-R534 PolarHBondContact O-N 2.87Å; R534-E536 VanDerWaalsContact C-N 3.27Å; R534-E536 PolarHBondContact O-N 2.98Å; R534-G537 PolarHBondContact O-N 3.04Å; R534-A538 PolarHBondContact O-N 3.37Å | ||
| 535 | Y | 98.3 | Very high | 98.7 | Very high | 34 Ų | 34 | 14.5 Ų | 14.5 | 13% | 0.133 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -50.1 | -46.1 | -175 | 178.3 | -98.8 | 0 | 0 | 0 | 113.1 | S398 F399 G402 T403 Y523 G537 A538 S539 | S398-Y535 WeakPolarHBondContact O-CD2 3.47Å; F399-Y535 HydrophobicContact CD2-CE2 4.13Å; F399-Y535 VanDerWaalsContact O-CE2 3.25Å; F399-Y535 WeakPolarHBondContact O-CE2 3.45Å; G402-Y535 WeakPolarHBondContact O-CD2 3.44Å; T403-Y535 HydrophobicContact CG2-CD1 3.29Å; T403-Y535 HydrophobicContact CG2-CD2 4.13Å; T403-Y535 HydrophobicContact CG2-CE1 3.83Å; T403-Y535 HydrophobicContact CG2-CG 3.46Å; T403-Y535 VanDerWaalsContact CG2-CG 3.46Å; Y523-Y535 HydrophobicContact CD2-CE1 4.09Å; Y523-Y535 HydrophobicContact CE1-CE1 4.49Å; Y523-Y535 HydrophobicContact CE2-CD1 4.06Å; Y523-Y535 AromaticContact CE2-CE1 3.29Å; Y523-Y535 HydrophobicContact CE2-CE1 3.29Å; Y523-Y535 AromaticContact CZ-CE1 3.54Å; Y535-G537 PolarHBondContact O-N 2.86Å; Y535-A538 PolarHBondContact O-N 3.01Å; Y535-S539 WeakPolarHBondContact O-CB 3.3Å; Y535-S539 PolarHBondContact O-N 2.89Å; Y535-S539 PolarHBondContact O-OG 3.46Å |
| 536 | E | 98.8 | Very high | 98.7 | Very high | 3 Ų | 3 | 14.3 Ų | 14.3 | 1% | 0.014 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -66.4 | -38.4 | -179.4 | -58.1 | 80.6 | -174.1 | 0 | 0 | 112.1 | R200 S201 G294 T485 Y523 T525 R534 S539 T540 | R200-E536 IonicContact CZ-OE1 3.6Å; R200-E536 IonicContact NE-OE1 2.72Å; R200-E536 PolarHBondContact NE-OE1 2.94Å; R200-E536 IonicContact NH2-OE1 3.94Å; S201-E536 WeakPolarHBondContact CB-OE2 3.23Å; S201-E536 VanDerWaalsContact OG-CD 3.31Å; S201-E536 PolarHBondContact OG-OE1 3.46Å; S201-E536 PolarHBondContact OG-OE2 3.2Å; G294-E536 VanDerWaalsContact O-CG 3.28Å; G294-E536 WeakPolarHBondContact O-CG 3.43Å; T485-E536 HydrophobicContact CG2-CB 4.19Å; T485-E536 HydrophobicContact CG2-CG 4.38Å; Y523-E536 WeakPolarHBondContact CB-O 3Å; Y523-E536 HydrophobicContact CD1-CB 3.86Å; Y523-E536 HydrophobicContact CD1-CG 3.55Å; Y523-E536 HydrophobicContact CE1-CG 3.87Å; Y523-E536 HydrophobicContact CG-CB 4.14Å; Y523-E536 HydrophobicContact CG-CG 4.26Å; T525-E536 VanDerWaalsContact CG2-C 3.43Å; T525-E536 HydrophobicContact CG2-CB 3.62Å; R534-E536 VanDerWaalsContact C-N 3.27Å; R534-E536 PolarHBondContact O-N 2.98Å; E536-S539 CarbonylContact O-C 3.41Å; E536-S539 PolarHBondContact O-N 3.48Å; E536-T540 PolarHBondContact O-N 2.65Å; E536-T540 PolarHBondContact O-OG1 3.47Å |
| 537 | G | 98.6 | Very high | 98.6 | Very high | 2 Ų | 2 | 14.5 Ų | 14.5 | 2% | 0.021 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -69.8 | -41.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | K445 Y530 Q533 R534 Y535 S539 T540 | K445-G537 WeakPolarHBondContact CE-O 3.21Å; Y530-G537 WeakPolarHBondContact CD2-O 3.45Å; Y530-G537 WeakPolarHBondContact CE2-O 3.32Å; Q533-G537 PolarHBondContact NE2-O 3.35Å; R534-G537 PolarHBondContact O-N 3.04Å; Y535-G537 PolarHBondContact O-N 2.86Å; G537-S539 PolarHBondContact O-N 2.82Å; G537-T540 PolarHBondContact O-N 3.46Å |
| 538 | A | 98.6 | Very high | 98.6 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -64.5 | -30.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | G396 K445 Q533 R534 Y535 | G396-A538 PolarHBondContact N-O 2.86Å; K445-A538 VanDerWaalsContact CE-O 3.31Å; K445-A538 WeakPolarHBondContact CE-O 3.38Å; K445-A538 PolarHBondContact NZ-O 2.86Å; Q533-A538 VanDerWaalsContact OE1-CA 3.28Å; R534-A538 PolarHBondContact O-N 3.37Å; Y535-A538 PolarHBondContact O-N 3.01Å |
| 539 | S | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 5% | 0.047 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 5.3 | 178.7 | -52.3 | 0 | 0 | 0 | 0 | 114.1 | H522 Y523 Y535 E536 G537 I541 | H522-S539 WeakPolarHBondContact CB-O 3.46Å; Y523-S539 PolarHBondContact N-O 2.87Å; Y523-S539 VanDerWaalsContact N-O 3.17Å; Y535-S539 WeakPolarHBondContact O-CB 3.3Å; Y535-S539 PolarHBondContact O-N 2.89Å; Y535-S539 PolarHBondContact O-OG 3.46Å; E536-S539 CarbonylContact O-C 3.41Å; E536-S539 PolarHBondContact O-N 3.48Å; G537-S539 PolarHBondContact O-N 2.82Å; S539-I541 WeakPolarHBondContact O-CG2 3.43Å; S539-I541 PolarHBondContact O-N 3.28Å; S539-I541 VanDerWaalsContact O-N 3.16Å |
| 540 | T | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 9.3 Ų | 9.3 | 1% | 0.006 | 5% | 0.047 | C | C | . | . | B | Isolated β-bridge | trans | -82.1 | 90 | 171.6 | -65.5 | 0 | 0 | 0 | 0 | 109.5 | K445 Y523 T525 Y530 E536 G537 Y542 G543 T546 | K445-T540 PolarHBondContact NZ-O 3.4Å; Y523-T540 WeakPolarHBondContact O-CA 3.46Å; Y523-T540 PolarHBondContact O-OG1 2.69Å; T525-T540 PolarHBondContact N-OG1 3.16Å; T525-T540 PolarHBondContact OG1-OG1 2.88Å; Y530-T540 HydrophobicContact CD2-CG2 3.96Å; Y530-T540 HydrophobicContact CE2-CG2 4.2Å; E536-T540 PolarHBondContact O-N 2.65Å; E536-T540 PolarHBondContact O-OG1 3.47Å; G537-T540 PolarHBondContact O-N 3.46Å; T540-Y542 PolarHBondContact O-N 2.9Å; T540-G543 PolarHBondContact O-N 2.85Å; T540-T546 HydrophobicContact CG2-CG2 4.08Å; T540-T546 WeakPolarHBondContact CG2-OG1 3.42Å |
| 541 | I | 98.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 10.9 Ų | 10.9 | 1% | 0.005 | 6% | 0.055 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -25.5 | -157.1 | 63.8 | 177.2 | 0 | 0 | 0 | 114.9 | P393 A394 L395 H442 H461 H522 S539 G543 | P393-I541 CarbonylContact C-O 3.54Å; P393-I541 WeakPolarHBondContact CA-O 3.06Å; P393-I541 HydrophobicContact CB-CB 4.05Å; P393-I541 HydrophobicContact CB-CD1 3.96Å; P393-I541 HydrophobicContact CB-CG1 4.16Å; A394-I541 PolarHBondContact N-O 2.94Å; L395-I541 HydrophobicContact CD2-CG2 3.69Å; L395-I541 HydrophobicContact CG-CG2 4.34Å; H442-I541 PolarHBondContact CE1-O 3.01Å; H442-I541 PolarHBondContact NE2-O 3.4Å; H461-I541 HydrophobicContact CB-CD1 4.49Å; H522-I541 HydrophobicContact CB-CG2 4.07Å; S539-I541 WeakPolarHBondContact O-CG2 3.43Å; S539-I541 PolarHBondContact O-N 3.28Å; S539-I541 VanDerWaalsContact O-N 3.16Å; I541-G543 VanDerWaalsContact C-N 3.32Å; I541-G543 PolarHBondContact O-N 2.9Å |
| 542 | Y | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 11.2 Ų | 11.2 | 0% | 0.004 | 6% | 0.057 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | 18.5 | -178.1 | -52.3 | -68 | 0 | 0 | 0 | 113.7 | M375 C391 P393 P462 V465 T521 T540 T546 | M375-Y542 HydrophobicContact CB-CD1 3.91Å; M375-Y542 HydrophobicContact CB-CD2 3.91Å; M375-Y542 HydrophobicContact CB-CE1 3.77Å; M375-Y542 HydrophobicContact CB-CE2 3.75Å; M375-Y542 HydrophobicContact CB-CG 3.98Å; M375-Y542 HydrophobicContact CE-CD2 3.93Å; M375-Y542 HydrophobicContact CE-CE2 4.47Å; M375-Y542 HydrophobicContact CE-CG 4.43Å; M375-Y542 HydrophobicContact CG-CD2 4.45Å; M375-Y542 HydrophobicContact CG-CE2 4.19Å; C391-Y542 PolarHBondContact N-O 3.2Å; P393-Y542 HydrophobicContact CB-CD1 4.24Å; P393-Y542 HydrophobicContact CB-CE1 3.97Å; P393-Y542 HydrophobicContact CG-CE1 4.25Å; P462-Y542 PolarHBondContact O-OH 3.04Å; V465-Y542 HydrophobicContact CG2-CE2 4.23Å; V465-Y542 VanDerWaalsContact CG2-OH 3.26Å; V465-Y542 WeakPolarHBondContact CG2-OH 3.33Å; T521-Y542 HydrophobicContact CG2-CE2 4.1Å; T540-Y542 PolarHBondContact O-N 2.9Å; Y542-T546 WeakPolarHBondContact CA-OG1 3.41Å; Y542-T546 WeakPolarHBondContact CB-OG1 3.38Å; Y542-T546 HydrophobicContact CD2-CG2 4.11Å; Y542-T546 PolarHBondContact N-OG1 3.24Å |
| 543 | G | 98.7 | Very high | 98.7 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.059 | C | C | . | . | trans | 90.3 | -175.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | H442 T540 I541 H545 T546 | H442-G543 PolarHBondContact CE1-N 2.79Å; H442-G543 VanDerWaalsContact CE1-N 3.34Å; T540-G543 PolarHBondContact O-N 2.85Å; I541-G543 VanDerWaalsContact C-N 3.32Å; I541-G543 PolarHBondContact O-N 2.9Å; G543-H545 PolarHBondContact O-N 2.91Å; G543-H545 VanDerWaalsContact O-N 3.13Å; G543-T546 PolarHBondContact N-OG1 3.41Å; G543-T546 WeakPolarHBondContact O-CB 3.45Å; G543-T546 PolarHBondContact O-N 2.81Å; G543-T546 VanDerWaalsContact O-N 3.14Å; G543-T546 PolarHBondContact O-OG1 3.41Å | ||
| 544 | P | 98.7 | Very high | 98.7 | Very high | 8 Ų | 8 | 12 Ų | 12 | 5% | 0.052 | 6% | 0.059 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -22.1 | -172.1 | 23.9 | -33.3 | 0 | 0 | 0 | 113.8 | C441 Y527 Y530 | C441-P544 VanDerWaalsContact O-CD 3.29Å; C441-P544 WeakPolarHBondContact O-CD 3.29Å; Y527-P544 HydrophobicContact CD2-CB 3.75Å; Y527-P544 HydrophobicContact CE2-CB 3.73Å; Y527-P544 HydrophobicContact CE2-CG 4.42Å; Y530-P544 HydrophobicContact CD1-CB 3.56Å; Y530-P544 HydrophobicContact CD1-CG 4.5Å; Y530-P544 HydrophobicContact CE1-CB 3.65Å; Y530-P544 HydrophobicContact CE1-CG 4.12Å; Y530-P544 HydrophobicContact CG-CB 4.06Å |
| 545 | H | 98.6 | Very high | 98.7 | Very high | 38 Ų | 38 | 16 Ų | 16 | 18% | 0.176 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | 16.2 | -178.8 | -59.3 | -60.2 | 0 | 0 | 0 | 113.7 | V388 Y527 G543 L547 T548 A549 | V388-H545 HydrophobicContact CB-CB 4.4Å; V388-H545 HydrophobicContact CG2-CB 4.12Å; Y527-H545 AromaticContact CD2-CE1 3.47Å; Y527-H545 VanDerWaalsContact CD2-CE1 3.47Å; Y527-H545 WeakPolarHBondContact CD2-CE1 3.33Å; Y527-H545 AromaticContact CD2-ND1 3.72Å; Y527-H545 AromaticContact CE2-CE1 3.37Å; Y527-H545 WeakPolarHBondContact CE2-CE1 3.4Å; Y527-H545 AromaticContact CE2-NE2 3.87Å; G543-H545 PolarHBondContact O-N 2.91Å; G543-H545 VanDerWaalsContact O-N 3.13Å; H545-L547 PolarHBondContact O-N 2.97Å; H545-T548 WeakPolarHBondContact O-CB 3.47Å; H545-T548 PolarHBondContact O-N 2.52Å; H545-A549 PolarHBondContact O-N 2.82Å |
| 546 | T | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 17.5 Ų | 17.5 | 1% | 0.006 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -55.5 | -50 | 175.9 | -59.1 | 0 | 0 | 0 | 0 | 111.6 | M375 I524 T540 Y542 G543 T548 A549 Y550 | M375-T546 HydrophobicContact CE-CG2 4.47Å; I524-T546 HydrophobicContact CG1-CG2 4.23Å; I524-T546 HydrophobicContact CG2-CG2 4.25Å; T540-T546 HydrophobicContact CG2-CG2 4.08Å; T540-T546 WeakPolarHBondContact CG2-OG1 3.42Å; Y542-T546 WeakPolarHBondContact CA-OG1 3.41Å; Y542-T546 WeakPolarHBondContact CB-OG1 3.38Å; Y542-T546 HydrophobicContact CD2-CG2 4.11Å; Y542-T546 PolarHBondContact N-OG1 3.24Å; G543-T546 PolarHBondContact N-OG1 3.41Å; G543-T546 WeakPolarHBondContact O-CB 3.45Å; G543-T546 PolarHBondContact O-N 2.81Å; G543-T546 VanDerWaalsContact O-N 3.14Å; G543-T546 PolarHBondContact O-OG1 3.41Å; T546-T548 PolarHBondContact O-N 3.41Å; T546-A549 PolarHBondContact O-N 3.36Å; T546-Y550 HydrophobicContact CG2-CD2 3.88Å; T546-Y550 HydrophobicContact CG2-CE2 3.57Å; T546-Y550 VanDerWaalsContact O-CD2 3.31Å; T546-Y550 WeakPolarHBondContact O-CD2 3.49Å; T546-Y550 PolarHBondContact O-N 3.47Å; T546-Y550 VanDerWaalsContact O-N 3.11Å |
| 547 | L | 98.9 | Very high | 98.7 | Very high | 3 Ų | 3 | 17.3 Ų | 17.3 | 2% | 0.016 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -62.7 | -42.6 | 177.1 | 178 | 63.1 | 0 | 0 | 0 | 111.5 | M484 I524 T525 T526 H545 A549 Y550 L551 | M484-L547 HydrophobicContact CE-CD1 4.3Å; I524-L547 HydrophobicContact CG2-CB 3.95Å; I524-L547 HydrophobicContact CG2-CD1 4.07Å; T525-L547 WeakPolarHBondContact O-CB 3.13Å; T526-L547 HydrophobicContact CG2-CD2 3.86Å; H545-L547 PolarHBondContact O-N 2.97Å; L547-A549 VanDerWaalsContact C-N 3.29Å; L547-A549 PolarHBondContact O-N 2.9Å; L547-Y550 PolarHBondContact O-N 3.03Å; L547-Y550 VanDerWaalsContact O-N 3.15Å; L547-L551 HydrophobicContact CD1-CD1 4.49Å; L547-L551 HydrophobicContact CD1-CD2 4.36Å; L547-L551 HydrophobicContact CD1-CG 4.08Å; L547-L551 HydrophobicContact CD2-CD1 4.48Å; L547-L551 HydrophobicContact CG-CD1 4.02Å; L547-L551 HydrophobicContact CG-CG 4.09Å; L547-L551 VanDerWaalsContact O-CG 3.29Å; L547-L551 WeakPolarHBondContact O-CG 3.3Å; L547-L551 PolarHBondContact O-N 2.87Å |
| 548 | T | 98.7 | Very high | 98.7 | Very high | 30 Ų | 30 | 17.2 Ų | 17.2 | 18% | 0.184 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -55.5 | -44.9 | 177.4 | -59.1 | 0 | 0 | 0 | 0 | 111.9 | V380 I382 V388 H545 T546 L551 H552 | V380-T548 HydrophobicContact CB-CG2 4.08Å; V380-T548 HydrophobicContact CG1-CG2 3.97Å; V380-T548 HydrophobicContact CG2-CG2 4.3Å; I382-T548 HydrophobicContact CD1-CG2 3.49Å; I382-T548 VanDerWaalsContact CD1-CG2 3.49Å; V388-T548 HydrophobicContact CG2-CG2 4.04Å; H545-T548 WeakPolarHBondContact O-CB 3.47Å; H545-T548 PolarHBondContact O-N 2.52Å; T546-T548 PolarHBondContact O-N 3.41Å; T548-L551 PolarHBondContact O-N 2.87Å; T548-H552 WeakPolarHBondContact O-CB 3.4Å; T548-H552 PolarHBondContact O-N 3.29Å |
| 549 | A | 98.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 21.9 Ų | 21.9 | 1% | 0.008 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -62.9 | -44.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | M375 V378 T390 H545 T546 L547 H552 K553 | M375-A549 HydrophobicContact CE-CB 4.02Å; V378-A549 HydrophobicContact CB-CB 4.04Å; V378-A549 HydrophobicContact CG1-CB 3.8Å; T390-A549 HydrophobicContact CG2-CB 3.44Å; T390-A549 VanDerWaalsContact CG2-CB 3.44Å; H545-A549 PolarHBondContact O-N 2.82Å; T546-A549 PolarHBondContact O-N 3.36Å; L547-A549 VanDerWaalsContact C-N 3.29Å; L547-A549 PolarHBondContact O-N 2.9Å; A549-H552 PolarHBondContact O-N 3.47Å; A549-K553 WeakPolarHBondContact O-CG 3.37Å; A549-K553 PolarHBondContact O-N 2.77Å |
| 550 | Y | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -63.2 | -44.5 | 175.3 | -76.2 | -53.7 | 0 | 0 | 0 | 112.4 | M375 V467 P481 M484 T521 I524 T546 L547 H552 K553 Y554 | M375-Y550 HydrophobicContact CE-CD1 4.29Å; M375-Y550 HydrophobicContact CE-CD2 4.29Å; M375-Y550 HydrophobicContact CE-CE1 3.88Å; M375-Y550 HydrophobicContact CE-CE2 3.9Å; M375-Y550 HydrophobicContact CE-CG 4.48Å; M375-Y550 HydrophobicContact SD-CE1 4.07Å; V467-Y550 HydrophobicContact CG1-CD1 4.09Å; V467-Y550 HydrophobicContact CG1-CE1 4.06Å; P481-Y550 HydrophobicContact CG-CE1 3.85Å; P481-Y550 WeakPolarHBondContact CG-OH 2.87Å; M484-Y550 HydrophobicContact CE-CD2 4.25Å; M484-Y550 HydrophobicContact CE-CG 4.31Å; T521-Y550 PolarHBondContact OG1-OH 2.86Å; I524-Y550 HydrophobicContact CD1-CE2 4.39Å; I524-Y550 HydrophobicContact CG1-CD2 3.99Å; I524-Y550 HydrophobicContact CG1-CE2 3.62Å; I524-Y550 HydrophobicContact CG2-CD2 4.06Å; I524-Y550 HydrophobicContact CG2-CE2 4.48Å; T546-Y550 HydrophobicContact CG2-CD2 3.88Å; T546-Y550 HydrophobicContact CG2-CE2 3.57Å; T546-Y550 VanDerWaalsContact O-CD2 3.31Å; T546-Y550 WeakPolarHBondContact O-CD2 3.49Å; T546-Y550 PolarHBondContact O-N 3.47Å; T546-Y550 VanDerWaalsContact O-N 3.11Å; L547-Y550 PolarHBondContact O-N 3.03Å; L547-Y550 VanDerWaalsContact O-N 3.15Å; Y550-H552 VanDerWaalsContact C-N 3.26Å; Y550-H552 PolarHBondContact O-N 2.71Å; Y550-K553 PolarHBondContact O-N 3.13Å; Y550-Y554 HydrophobicContact CD1-CD2 4.44Å; Y550-Y554 AromaticContact CD1-CE2 3.87Å; Y550-Y554 HydrophobicContact CD1-CE2 3.87Å; Y550-Y554 HydrophobicContact CG-CE2 4.39Å; Y550-Y554 WeakPolarHBondContact O-CB 3.3Å; Y550-Y554 WeakPolarHBondContact O-CD2 3.36Å; Y550-Y554 PolarHBondContact O-N 3Å |
| 551 | L | 98.8 | Very high | 98.5 | Very high | 33 Ų | 33 | 22.2 Ų | 22.2 | 17% | 0.173 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -55.8 | -44.6 | 174.9 | -69.2 | 174.5 | 0 | 0 | 0 | 110.9 | R491 L492 A495 L547 T548 R555 | R491-L551 HydrophobicContact CB-CD2 4.24Å; L492-L551 VanDerWaalsContact CA-CD2 3.46Å; L492-L551 HydrophobicContact CB-CD2 3.99Å; L492-L551 HydrophobicContact CD1-CD2 3.97Å; A495-L551 HydrophobicContact CB-CD2 3.92Å; L547-L551 HydrophobicContact CD1-CD1 4.49Å; L547-L551 HydrophobicContact CD1-CD2 4.36Å; L547-L551 HydrophobicContact CD1-CG 4.08Å; L547-L551 HydrophobicContact CD2-CD1 4.48Å; L547-L551 HydrophobicContact CG-CD1 4.02Å; L547-L551 HydrophobicContact CG-CG 4.09Å; L547-L551 VanDerWaalsContact O-CG 3.29Å; L547-L551 WeakPolarHBondContact O-CG 3.3Å; L547-L551 PolarHBondContact O-N 2.87Å; T548-L551 PolarHBondContact O-N 2.87Å; L551-R555 WeakPolarHBondContact O-CB 3.48Å; L551-R555 WeakPolarHBondContact O-CD 3.25Å; L551-R555 WeakPolarHBondContact O-CG 3.26Å; L551-R555 PolarHBondContact O-N 2.86Å; L551-R555 VanDerWaalsContact O-N 3.12Å |
| 552 | H | 98.4 | Very high | 98.4 | Very high | 58 Ų | 58 | 22.5 Ų | 22.5 | 27% | 0.269 | 11% | 0.106 | S | C | . | . | H | α-helix | trans | -62.2 | -52 | 177.4 | 176.1 | 55.8 | 0 | 0 | 0 | 111.7 | V380 T548 A549 Y550 R555 E556 | V380-H552 HydrophobicContact CG1-CB 4.07Å; V380-H552 HydrophobicContact CG2-CB 3.91Å; T548-H552 WeakPolarHBondContact O-CB 3.4Å; T548-H552 PolarHBondContact O-N 3.29Å; A549-H552 PolarHBondContact O-N 3.47Å; Y550-H552 VanDerWaalsContact C-N 3.26Å; Y550-H552 PolarHBondContact O-N 2.71Å; H552-R555 PolarHBondContact O-N 2.81Å; H552-E556 IonicContact CE1-OE1 3.72Å; H552-E556 PolarHBondContact CE1-OE1 3.22Å; H552-E556 VanDerWaalsContact CE1-OE1 3.25Å; H552-E556 IonicContact NE2-OE1 3.71Å; H552-E556 PolarHBondContact NE2-OE1 3.49Å; H552-E556 IonicContact NE2-OE2 3.55Å; H552-E556 PolarHBondContact O-N 3.33Å; H552-E556 VanDerWaalsContact O-N 3.1Å |
| 553 | K | 98.6 | Very high | 98.2 | Very high | 37 Ų | 37 | 26.9 Ų | 26.9 | 16% | 0.161 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.4 | -46.7 | -178 | -66.8 | -59.8 | 171.3 | -163.6 | 0 | 113.2 | V373 V467 A549 Y550 R555 E556 L557 | V373-K553 HydrophobicContact CG1-CG 4.35Å; V373-K553 HydrophobicContact CG2-CD 4.23Å; V373-K553 HydrophobicContact CG2-CG 4.24Å; V467-K553 HydrophobicContact CG2-CB 4.4Å; A549-K553 WeakPolarHBondContact O-CG 3.37Å; A549-K553 PolarHBondContact O-N 2.77Å; Y550-K553 PolarHBondContact O-N 3.13Å; K553-R555 VanDerWaalsContact C-N 3.28Å; K553-R555 PolarHBondContact O-N 2.98Å; K553-E556 VanDerWaalsContact CD-OE2 3.31Å; K553-E556 WeakPolarHBondContact CD-OE2 3.14Å; K553-E556 IonicContact NZ-OE2 2.76Å; K553-E556 PolarHBondContact NZ-OE2 3Å; K553-E556 WeakPolarHBondContact O-CB 3.29Å; K553-E556 PolarHBondContact O-N 3.18Å; K553-L557 WeakPolarHBondContact O-CD1 3.17Å; K553-L557 PolarHBondContact O-N 3.17Å |
| 554 | Y | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -66.2 | -29 | 177.8 | -77.1 | -66.5 | 0 | 0 | 0 | 113.6 | V467 I469 V478 A479 V480 L492 Y550 A558 | V467-Y554 HydrophobicContact CB-CE1 3.99Å; V467-Y554 HydrophobicContact CB-CE2 4.41Å; V467-Y554 HydrophobicContact CG1-CE2 4.15Å; I469-Y554 HydrophobicContact CD1-CD1 3.94Å; I469-Y554 HydrophobicContact CG1-CD1 3.74Å; I469-Y554 HydrophobicContact CG1-CE1 4.18Å; V478-Y554 HydrophobicContact CG1-CD1 3.5Å; V478-Y554 VanDerWaalsContact CG1-CD1 3.5Å; V478-Y554 HydrophobicContact CG1-CD2 4.37Å; V478-Y554 HydrophobicContact CG1-CE1 3.43Å; V478-Y554 VanDerWaalsContact CG1-CE1 3.43Å; V478-Y554 HydrophobicContact CG1-CE2 4.35Å; V478-Y554 HydrophobicContact CG1-CG 4Å; A479-Y554 PolarHBondContact O-OH 2.99Å; V480-Y554 HydrophobicContact CG2-CE2 4.45Å; L492-Y554 HydrophobicContact CD1-CD2 3.68Å; L492-Y554 HydrophobicContact CD1-CG 3.87Å; L492-Y554 HydrophobicContact CD2-CD2 3.88Å; L492-Y554 HydrophobicContact CD2-CE2 4.17Å; L492-Y554 HydrophobicContact CD2-CG 4.47Å; L492-Y554 HydrophobicContact CG-CD2 4.45Å; Y550-Y554 HydrophobicContact CD1-CD2 4.44Å; Y550-Y554 AromaticContact CD1-CE2 3.87Å; Y550-Y554 HydrophobicContact CD1-CE2 3.87Å; Y550-Y554 HydrophobicContact CG-CE2 4.39Å; Y550-Y554 WeakPolarHBondContact O-CB 3.3Å; Y550-Y554 WeakPolarHBondContact O-CD2 3.36Å; Y550-Y554 PolarHBondContact O-N 3Å; Y554-A558 WeakPolarHBondContact O-CB 3.49Å; Y554-A558 PolarHBondContact O-N 3.37Å |
| 555 | R | 98.4 | Very high | 97.8 | Very high | 86 Ų | 86 | 34.4 Ų | 34.4 | 33% | 0.325 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -66.4 | -40.1 | 170.2 | -73.2 | 166.2 | 71.6 | 93.6 | 5.1 | 111.8 | A495 E499 L551 H552 K553 A558 K559 | A495-R555 HydrophobicContact CB-CG 4.02Å; E499-R555 HydrophobicContact CG-CB 3.91Å; E499-R555 HydrophobicContact CG-CG 3.92Å; E499-R555 IonicContact OE1-CZ 3.91Å; E499-R555 IonicContact OE1-NE 3.57Å; E499-R555 IonicContact OE1-NH1 3.47Å; E499-R555 IonicContact OE1-NH2 2.7Å; E499-R555 PolarHBondContact OE1-NH2 3.42Å; L551-R555 WeakPolarHBondContact O-CB 3.48Å; L551-R555 WeakPolarHBondContact O-CD 3.25Å; L551-R555 WeakPolarHBondContact O-CG 3.26Å; L551-R555 PolarHBondContact O-N 2.86Å; L551-R555 VanDerWaalsContact O-N 3.12Å; H552-R555 PolarHBondContact O-N 2.81Å; K553-R555 VanDerWaalsContact C-N 3.28Å; K553-R555 PolarHBondContact O-N 2.98Å; R555-A558 PolarHBondContact O-N 3.04Å; R555-K559 WeakPolarHBondContact O-CB 3.29Å; R555-K559 PolarHBondContact O-N 3.22Å |
| 556 | E | 98.1 | Very high | 97.8 | Very high | 64 Ų | 64 | 34.1 Ų | 34.1 | 30% | 0.299 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -59.7 | -48 | 174.2 | -68.1 | -177.7 | 145.6 | 0 | 0 | 111 | H552 K553 K559 A560 | H552-E556 IonicContact CE1-OE1 3.72Å; H552-E556 PolarHBondContact CE1-OE1 3.22Å; H552-E556 VanDerWaalsContact CE1-OE1 3.25Å; H552-E556 IonicContact NE2-OE1 3.71Å; H552-E556 PolarHBondContact NE2-OE1 3.49Å; H552-E556 IonicContact NE2-OE2 3.55Å; H552-E556 PolarHBondContact O-N 3.33Å; H552-E556 VanDerWaalsContact O-N 3.1Å; K553-E556 VanDerWaalsContact CD-OE2 3.31Å; K553-E556 WeakPolarHBondContact CD-OE2 3.14Å; K553-E556 IonicContact NZ-OE2 2.76Å; K553-E556 PolarHBondContact NZ-OE2 3Å; K553-E556 WeakPolarHBondContact O-CB 3.29Å; K553-E556 PolarHBondContact O-N 3.18Å; E556-K559 PolarHBondContact O-N 3.28Å; E556-A560 WeakPolarHBondContact O-CB 3.46Å; E556-A560 PolarHBondContact O-N 3.08Å |
| 557 | L | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.3 | -50.1 | 176.3 | -83.1 | 73.1 | 0 | 0 | 0 | 111.6 | A369 Q371 V467 I469 K553 K559 A560 I561 L569 | A369-L557 HydrophobicContact CB-CB 4.21Å; A369-L557 HydrophobicContact CB-CD2 4.35Å; A369-L557 HydrophobicContact CB-CG 4.11Å; Q371-L557 HydrophobicContact CG-CD1 4.16Å; V467-L557 HydrophobicContact CB-CD2 4.37Å; V467-L557 HydrophobicContact CG2-CD1 3.84Å; V467-L557 HydrophobicContact CG2-CD2 4.06Å; V467-L557 WeakPolarHBondContact O-CD2 3.3Å; I469-L557 HydrophobicContact CD1-CB 3.93Å; I469-L557 HydrophobicContact CG1-CB 4.28Å; I469-L557 HydrophobicContact CG1-CD2 4.32Å; K553-L557 WeakPolarHBondContact O-CD1 3.17Å; K553-L557 PolarHBondContact O-N 3.17Å; L557-K559 VanDerWaalsContact C-N 3.34Å; L557-K559 PolarHBondContact O-N 3.4Å; L557-A560 PolarHBondContact O-N 3.02Å; L557-I561 WeakPolarHBondContact O-CG1 3.39Å; L557-I561 PolarHBondContact O-N 3.09Å; L557-L569 HydrophobicContact CG-CD1 4.39Å |
| 558 | A | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.9 | -42.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | I469 V496 E499 L500 Y554 R555 I561 A562 | I469-A558 HydrophobicContact CD1-CB 4.01Å; V496-A558 HydrophobicContact CG1-CB 4.01Å; E499-A558 HydrophobicContact CB-CB 3.82Å; L500-A558 HydrophobicContact CD2-CB 4.21Å; L500-A558 HydrophobicContact CG-CB 4.14Å; Y554-A558 WeakPolarHBondContact O-CB 3.49Å; Y554-A558 PolarHBondContact O-N 3.37Å; R555-A558 PolarHBondContact O-N 3.04Å; A558-I561 PolarHBondContact O-N 3.36Å; A558-A562 WeakPolarHBondContact O-CB 3.28Å; A558-A562 PolarHBondContact O-N 2.93Å |
| 559 | K | 97.9 | Very high | 97.4 | Very high | 98 Ų | 98 | 45.9 Ų | 45.9 | 43% | 0.426 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -64.1 | -44 | 176 | -177.1 | 179.5 | 178.1 | -175.2 | 0 | 111.6 | R555 E556 L557 I561 A562 Q563 | R555-K559 WeakPolarHBondContact O-CB 3.29Å; R555-K559 PolarHBondContact O-N 3.22Å; E556-K559 PolarHBondContact O-N 3.28Å; L557-K559 VanDerWaalsContact C-N 3.34Å; L557-K559 PolarHBondContact O-N 3.4Å; K559-I561 VanDerWaalsContact C-N 3.33Å; K559-I561 PolarHBondContact O-N 2.93Å; K559-A562 PolarHBondContact O-N 2.77Å; K559-Q563 HydrophobicContact CG-CG 4.46Å; K559-Q563 WeakPolarHBondContact O-CB 3.2Å; K559-Q563 VanDerWaalsContact O-CG 3.28Å; K559-Q563 WeakPolarHBondContact O-CG 3.38Å; K559-Q563 PolarHBondContact O-N 2.92Å |
| 560 | A | 97.8 | Very high | 97.2 | Very high | 6 Ų | 6 | 50.1 Ų | 50.1 | 5% | 0.05 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.7 | -38.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | E556 L557 D564 K565 V566 L569 | E556-A560 WeakPolarHBondContact O-CB 3.46Å; E556-A560 PolarHBondContact O-N 3.08Å; L557-A560 PolarHBondContact O-N 3.02Å; A560-D564 WeakPolarHBondContact O-CA 3.37Å; A560-D564 PolarHBondContact O-N 2.77Å; A560-K565 PolarHBondContact O-N 2.96Å; A560-V566 HydrophobicContact CB-CG2 4.33Å; A560-L569 HydrophobicContact CB-CD1 3.62Å; A560-L569 HydrophobicContact CB-CD2 3.94Å; A560-L569 HydrophobicContact CB-CG 3.72Å |
| 561 | I | 97.4 | Very high | 97.1 | Very high | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.7 | -50.2 | 172.1 | -70.9 | 169.3 | 0 | 0 | 0 | 110.7 | R367 A369 I469 T471 L500 F506 L557 A558 K559 Q563 D564 V566 | R367-I561 HydrophobicContact CB-CG2 3.78Å; R367-I561 HydrophobicContact CG-CG2 4.19Å; A369-I561 HydrophobicContact CB-CD1 3.78Å; A369-I561 HydrophobicContact CB-CG1 3.73Å; I469-I561 HydrophobicContact CB-CD1 3.75Å; I469-I561 HydrophobicContact CG2-CD1 3.7Å; T471-I561 HydrophobicContact CG2-CD1 4.34Å; T471-I561 HydrophobicContact CG2-CG2 3.98Å; L500-I561 HydrophobicContact CD2-CB 4.36Å; L500-I561 HydrophobicContact CD2-CG2 4.06Å; F506-I561 HydrophobicContact CE2-CG2 4.21Å; F506-I561 HydrophobicContact CZ-CG2 4.03Å; L557-I561 WeakPolarHBondContact O-CG1 3.39Å; L557-I561 PolarHBondContact O-N 3.09Å; A558-I561 PolarHBondContact O-N 3.36Å; K559-I561 VanDerWaalsContact C-N 3.33Å; K559-I561 PolarHBondContact O-N 2.93Å; I561-Q563 PolarHBondContact O-N 2.94Å; I561-D564 PolarHBondContact O-N 2.81Å; I561-D564 VanDerWaalsContact O-N 3.11Å; I561-V566 HydrophobicContact CG1-CG2 3.94Å |
| 562 | A | 95.8 | Very high | 97 | Very high | 8 Ų | 8 | 54.3 Ų | 54.3 | 7% | 0.066 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.8 | -34.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | V503 F506 A558 K559 | V503-A562 HydrophobicContact CG2-CB 4.13Å; V503-A562 WeakPolarHBondContact CG2-O 3.29Å; F506-A562 HydrophobicContact CD2-CB 4.45Å; A558-A562 WeakPolarHBondContact O-CB 3.28Å; A558-A562 PolarHBondContact O-N 2.93Å; K559-A562 PolarHBondContact O-N 2.77Å |
| 563 | Q | 95.1 | Very high | 97 | Very high | 93 Ų | 93 | 54.4 Ų | 54.4 | 44% | 0.435 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | 0.2 | -178.9 | -62 | 179.7 | -14.2 | 0 | 0 | 113.8 | K559 I561 K565 | K559-Q563 HydrophobicContact CG-CG 4.46Å; K559-Q563 WeakPolarHBondContact O-CB 3.2Å; K559-Q563 VanDerWaalsContact O-CG 3.28Å; K559-Q563 WeakPolarHBondContact O-CG 3.38Å; K559-Q563 PolarHBondContact O-N 2.92Å; I561-Q563 PolarHBondContact O-N 2.94Å; Q563-K565 HydrophobicContact CB-CB 4.35Å; Q563-K565 HydrophobicContact CB-CD 3.96Å; Q563-K565 HydrophobicContact CB-CG 4.18Å; Q563-K565 PolarHBondContact O-N 3.47Å |
| 564 | D | 93.1 | Very high | 96.9 | Very high | 83 Ų | 83 | 59.6 Ų | 59.6 | 44% | 0.444 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 40.6 | -171.6 | -154.8 | 30.6 | 0 | 0 | 0 | 113.3 | R94 R367 A560 I561 | R94-D564 IonicContact CZ-OD1 2.74Å; R94-D564 IonicContact NH1-OD1 3.47Å; R94-D564 IonicContact NH2-OD1 2.78Å; R94-D564 PolarHBondContact NH2-OD1 2.96Å; R94-D564 IonicContact NH2-OD2 2.64Å; R367-D564 IonicContact NE-OD1 3.19Å; R367-D564 PolarHBondContact NE-OD1 3.09Å; A560-D564 WeakPolarHBondContact O-CA 3.37Å; A560-D564 PolarHBondContact O-N 2.77Å; I561-D564 PolarHBondContact O-N 2.81Å; I561-D564 VanDerWaalsContact O-N 3.11Å |
| 565 | K | 96.4 | Very high | 96.9 | Very high | 83 Ų | 83 | 60 Ų | 60 | 36% | 0.361 | 33% | 0.325 | S | S | . | . | trans | -114.2 | 25.5 | -178.3 | -75.4 | 175.5 | 158.8 | -104.1 | 0 | 112.8 | A560 Q563 S567 E568 | A560-K565 PolarHBondContact O-N 2.96Å; Q563-K565 HydrophobicContact CB-CB 4.35Å; Q563-K565 HydrophobicContact CB-CD 3.96Å; Q563-K565 HydrophobicContact CB-CG 4.18Å; Q563-K565 PolarHBondContact O-N 3.47Å; K565-S567 PolarHBondContact O-N 2.65Å; K565-E568 HydrophobicContact CB-CG 4.25Å; K565-E568 WeakPolarHBondContact CD-OE2 3.42Å; K565-E568 VanDerWaalsContact NZ-CD 3.29Å; K565-E568 IonicContact NZ-OE1 3.81Å; K565-E568 PolarHBondContact NZ-OE1 2.9Å; K565-E568 IonicContact NZ-OE2 3.67Å; K565-E568 PolarHBondContact NZ-OE2 2.74Å; K565-E568 WeakPolarHBondContact O-CB 3.22Å; K565-E568 PolarHBondContact O-N 3.31Å | ||
| 566 | V | 97.1 | Very high | 96.9 | Very high | 31 Ų | 31 | 58.2 Ų | 58.2 | 19% | 0.188 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -58.6 | -34.7 | -178.2 | 178.1 | 0 | 0 | 0 | 0 | 111.9 | F368 A369 A560 I561 E568 L569 | F368-V566 WeakPolarHBondContact O-CG1 3.35Å; A369-V566 HydrophobicContact CB-CG1 3.8Å; A369-V566 HydrophobicContact CB-CG2 4.01Å; A560-V566 HydrophobicContact CB-CG2 4.33Å; I561-V566 HydrophobicContact CG1-CG2 3.94Å; V566-E568 PolarHBondContact O-N 3.18Å; V566-L569 HydrophobicContact CG1-CD1 4.46Å; V566-L569 WeakPolarHBondContact O-CB 3.45Å; V566-L569 PolarHBondContact O-N 3.14Å |
| 567 | S | 95.7 | Very high | 96.9 | Very high | 121 Ų | 121 | 59.5 Ų | 59.5 | 85% | 0.846 | 33% | 0.329 | S | S | * | . | G | 310 helix | trans | -65.4 | -14.8 | 176.3 | 56.2 | 0 | 0 | 0 | 0 | 114.4 | K565 | K565-S567 PolarHBondContact O-N 2.65Š|
| 568 | E | 96.4 | Very high | 96.8 | Very high | 127 Ų | 127 | 61 Ų | 61 | 59% | 0.593 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -86.4 | -11.3 | 175.5 | -57.7 | 179.1 | -173.1 | 0 | 0 | 112 | K565 V566 | K565-E568 HydrophobicContact CB-CG 4.25Å; K565-E568 WeakPolarHBondContact CD-OE2 3.42Å; K565-E568 VanDerWaalsContact NZ-CD 3.29Å; K565-E568 IonicContact NZ-OE1 3.81Å; K565-E568 PolarHBondContact NZ-OE1 2.9Å; K565-E568 IonicContact NZ-OE2 3.67Å; K565-E568 PolarHBondContact NZ-OE2 2.74Å; K565-E568 WeakPolarHBondContact O-CB 3.22Å; K565-E568 PolarHBondContact O-N 3.31Å; V566-E568 PolarHBondContact O-N 3.18Å |
| 569 | L | 96.3 | Very high | 96.6 | Very high | 33 Ų | 33 | 66.6 Ų | 66.6 | 17% | 0.173 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -72.3 | 137.2 | 177 | -69.4 | 177.2 | 0 | 0 | 0 | 110.6 | A369 L557 A560 V566 V571 | A369-L569 HydrophobicContact CB-CD1 4.14Å; L557-L569 HydrophobicContact CG-CD1 4.39Å; A560-L569 HydrophobicContact CB-CD1 3.62Å; A560-L569 HydrophobicContact CB-CD2 3.94Å; A560-L569 HydrophobicContact CB-CG 3.72Å; V566-L569 HydrophobicContact CG1-CD1 4.46Å; V566-L569 WeakPolarHBondContact O-CB 3.45Å; V566-L569 PolarHBondContact O-N 3.14Å; L569-V571 PolarHBondContact O-N 2.88Å |
| 570 | P | 95.9 | Very high | 96.4 | Very high | 91 Ų | 91 | 65.4 Ų | 65.4 | 59% | 0.591 | 37% | 0.374 | S | S | * | . | trans | -66.1 | 135 | 170.5 | 25.7 | -31.6 | 0 | 0 | 0 | 109.8 | Q371 G572 | Q371-P570 WeakPolarHBondContact CG-O 3.44Å; Q371-P570 VanDerWaalsContact NE2-CD 3.27Å; Q371-P570 PolarHBondContact NE2-O 3.5Å; P570-G572 PolarHBondContact O-N 3.22Å | ||
| 571 | V | 95.9 | Very high | 96.1 | Very high | 84 Ų | 84 | 69.7 Ų | 69.7 | 51% | 0.509 | 40% | 0.396 | S | S | . | . | trans | -61.5 | -36 | 176.7 | -179.8 | 0 | 0 | 0 | 0 | 111.3 | W372 L569 | W372-V571 HydrophobicContact CE3-CG1 3.84Å; W372-V571 HydrophobicContact CZ3-CG1 3.78Å; W372-V571 PolarHBondContact N-O 3.24Å; L569-V571 PolarHBondContact O-N 2.88Å | ||
| 572 | G | 97.1 | Very high | 96 | Very high | 37 Ų | 37 | 71.8 Ų | 71.8 | 38% | 0.381 | 41% | 0.407 | S | S | . | . | trans | 83.9 | 178.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | W372 P570 | W372-G572 WeakPolarHBondContact O-CA 3.33Å; P570-G572 PolarHBondContact O-N 3.22Å | ||
| 573 | P | 97.9 | Very high | 96 | Very high | 60 Ų | 60 | 73.4 Ų | 73.4 | 39% | 0.39 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -71.9 | 132.3 | -177.7 | 28.9 | -35.4 | 0 | 0 | 0 | 111.5 | W372 N374 I464 | W372-P573 WeakPolarHBondContact CB-O 3.39Å; W372-P573 WeakPolarHBondContact O-CD 3.48Å; N374-P573 HydrophobicContact CB-CG 4.25Å; I464-P573 HydrophobicContact CD1-CB 4.08Å; I464-P573 HydrophobicContact CD1-CG 3.57Å; I464-P573 HydrophobicContact CG1-CG 4.34Å; I464-P573 HydrophobicContact CG2-CG 4.35Å; I464-P573 WeakPolarHBondContact CG2-O 3.42Å |
| 574 | E | 97.6 | Very high | 96 | Very high | 146 Ų | 146 | 72.9 Ų | 72.9 | 68% | 0.682 | 41% | 0.413 | S | S | * | . | P | Polyproline II helix | trans | -65.7 | 138.7 | 175.5 | -166.4 | 173.8 | -177.2 | 0 | 0 | 111.4 | W372 | W372-E574 HydrophobicContact CE3-CB 4.38Å; W372-E574 HydrophobicContact CH2-CG 4.15Å; W372-E574 HydrophobicContact CZ3-CB 4.27Å; W372-E574 HydrophobicContact CZ3-CG 4.15Å |
| 575 | P | 98.3 | Very high | 96 | Very high | 8 Ų | 8 | 74.5 Ų | 74.5 | 5% | 0.052 | 42% | 0.421 | C | S | . | . | P | Polyproline II helix | trans | -71 | 151.5 | 177.3 | 29.6 | -36.5 | 0 | 0 | 0 | 111.5 | Q108 L112 I464 | Q108-P575 HydrophobicContact CG-CB 3.97Å; Q108-P575 HydrophobicContact CG-CG 4.39Å; Q108-P575 VanDerWaalsContact NE2-CB 3.33Å; L112-P575 HydrophobicContact CD1-CG 4.25Å; L112-P575 HydrophobicContact CD2-CG 4.15Å; I464-P575 HydrophobicContact CB-CB 4.15Å; I464-P575 HydrophobicContact CG2-CB 3.97Å |
| 576 | P | 98 | Very high | 95.8 | Very high | 49 Ų | 49 | 71.7 Ų | 71.7 | 32% | 0.318 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -70.7 | 148.8 | 177.4 | 30.5 | -35.6 | 0 | 0 | 0 | 111.9 | Q147 F578 | Q147-P576 PolarHBondContact NE2-O 3.03Å; Q147-P576 PolarHBondContact OE1-O 2.86Å; P576-F578 HydrophobicContact CB-CD1 4.2Å; P576-F578 HydrophobicContact CB-CE1 3.54Å; P576-F578 HydrophobicContact CB-CZ 3.85Å; P576-F578 HydrophobicContact CG-CE1 3.89Å; P576-F578 HydrophobicContact CG-CE2 4.4Å; P576-F578 HydrophobicContact CG-CZ 3.63Å |
| 577 | F | 97.8 | Very high | 95.5 | Very high | 90 Ų | 90 | 73.6 Ų | 73.6 | 40% | 0.395 | 43% | 0.429 | S | S | . | . | trans | -118.6 | 103.7 | 168 | -171.9 | -97.4 | 0 | 0 | 0 | 109.7 | R109 L112 E113 T579 | R109-F577 HydrophobicContact CG-CE2 4.19Å; L112-F577 HydrophobicContact CB-CD2 3.79Å; L112-F577 HydrophobicContact CB-CE2 4.1Å; L112-F577 HydrophobicContact CD1-CB 4.26Å; L112-F577 HydrophobicContact CD1-CD2 3.87Å; L112-F577 HydrophobicContact CG-CD2 4.5Å; E113-F577 HydrophobicContact CG-CE2 3.78Å; E113-F577 HydrophobicContact CG-CZ 3.91Å; F577-T579 HydrophobicContact CD1-CG2 3.79Å; F577-T579 HydrophobicContact CE1-CG2 3.93Å; F577-T579 PolarHBondContact O-N 3.08Å | ||
| 578 | F | 97.3 | Very high | 95.1 | Very high | 31 Ų | 31 | 73.2 Ų | 73.2 | 14% | 0.136 | 42% | 0.423 | C | S | . | . | trans | -79.2 | 120.9 | -174.6 | -54.8 | -48.6 | 0 | 0 | 0 | 111.2 | R109 Q147 Y148 L458 P459 P576 | R109-F578 PolarHBondContact NH1-O 3.43Å; Q147-F578 HydrophobicContact CB-CD2 3.81Å; Q147-F578 HydrophobicContact CG-CD2 3.76Å; Q147-F578 HydrophobicContact CG-CE2 4.07Å; Q147-F578 WeakPolarHBondContact O-CD2 3.34Å; Q147-F578 VanDerWaalsContact OE1-N 3.1Å; Y148-F578 AromaticContact CD1-CE2 3.99Å; Y148-F578 HydrophobicContact CD1-CE2 3.99Å; Y148-F578 AromaticContact CE1-CE2 3.83Å; Y148-F578 HydrophobicContact CE1-CE2 3.83Å; Y148-F578 HydrophobicContact CE1-CZ 4.18Å; L458-F578 HydrophobicContact CB-CD2 4.48Å; L458-F578 HydrophobicContact CD1-CB 3.93Å; L458-F578 HydrophobicContact CD1-CD2 3.86Å; L458-F578 HydrophobicContact CD1-CG 3.98Å; L458-F578 HydrophobicContact CD2-CB 4.2Å; L458-F578 HydrophobicContact CD2-CD1 3.86Å; L458-F578 HydrophobicContact CD2-CD2 4.16Å; L458-F578 HydrophobicContact CD2-CE1 4.28Å; L458-F578 HydrophobicContact CD2-CG 3.81Å; L458-F578 HydrophobicContact CG-CD2 4.4Å; L458-F578 HydrophobicContact CG-CG 4.45Å; P459-F578 HydrophobicContact CB-CZ 4.46Å; P459-F578 HydrophobicContact CG-CZ 3.86Å; P576-F578 HydrophobicContact CB-CD1 4.2Å; P576-F578 HydrophobicContact CB-CE1 3.54Å; P576-F578 HydrophobicContact CB-CZ 3.85Å; P576-F578 HydrophobicContact CG-CE1 3.89Å; P576-F578 HydrophobicContact CG-CE2 4.4Å; P576-F578 HydrophobicContact CG-CZ 3.63Å | ||
| 579 | T | 94.5 | Very high | 94.8 | Very high | 119 Ų | 119 | 67.7 Ų | 67.7 | 73% | 0.73 | 40% | 0.399 | S | S | * | . | trans | -105.2 | -22.1 | 177.4 | 54.1 | 0 | 0 | 0 | 0 | 113.2 | F577 | F577-T579 HydrophobicContact CD1-CG2 3.79Å; F577-T579 HydrophobicContact CE1-CG2 3.93Å; F577-T579 PolarHBondContact O-N 3.08Å | ||
| 580 | S | 93.3 | Very high | 94.6 | Very high | 73 Ų | 73 | 68.7 Ų | 68.7 | 51% | 0.51 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -111.8 | 166.6 | 174.4 | 68 | 0 | 0 | 0 | 0 | 111.2 | L582 | S580-L582 PolarHBondContact O-N 3.26Š|
| 581 | N | 92.3 | Very high | 94.5 | Very high | 95 Ų | 95 | 65.7 Ų | 65.7 | 51% | 0.508 | 39% | 0.392 | S | S | . | . | S | Bend | trans | 65.3 | 4.2 | 174.7 | -55.8 | 25.7 | 0 | 0 | 0 | 115.8 | P457 L458 F583 | P457-N581 HydrophobicContact CB-CB 4.48Å; P457-N581 PolarHBondContact O-ND2 3.29Å; L458-N581 HydrophobicContact CD1-CB 4.26Å; L458-N581 HydrophobicContact CD2-CB 4.08Å; L458-N581 HydrophobicContact CG-CB 3.94Å; N581-F583 PolarHBondContact O-N 3.44Å |
| 582 | L | 94.9 | Very high | 94.6 | Very high | 45 Ų | 45 | 62.2 Ų | 62.2 | 24% | 0.236 | 37% | 0.37 | C | S | . | . | trans | -64.5 | 125.6 | 163.3 | -61.5 | 173.3 | 0 | 0 | 0 | 108.5 | Q147 M152 Y158 L458 S580 | Q147-L582 HydrophobicContact CB-CD2 4.33Å; M152-L582 HydrophobicContact CE-CD2 4.38Å; M152-L582 HydrophobicContact SD-CD2 3.72Å; Y158-L582 HydrophobicContact CD1-CD1 4.12Å; Y158-L582 HydrophobicContact CG-CD1 4.27Å; L458-L582 HydrophobicContact CD1-CD2 4.07Å; S580-L582 PolarHBondContact O-N 3.26Å | ||
| 583 | F | 94.4 | Very high | 94.5 | Very high | 42 Ų | 42 | 65.4 Ų | 65.4 | 18% | 0.184 | 37% | 0.371 | C | S | . | . | trans | -106.2 | 155.9 | 178 | 60.5 | -98.5 | 0 | 0 | 0 | 111 | T149 M152 L153 G157 Y158 P457 N581 L585 | T149-F583 HydrophobicContact CG2-CE1 4.46Å; M152-F583 HydrophobicContact CB-CE1 3.95Å; M152-F583 HydrophobicContact CB-CE2 3.99Å; M152-F583 HydrophobicContact CB-CZ 3.48Å; M152-F583 VanDerWaalsContact CB-CZ 3.48Å; M152-F583 HydrophobicContact CE-CD1 4.16Å; M152-F583 HydrophobicContact CE-CE1 3.76Å; M152-F583 HydrophobicContact CE-CZ 4.44Å; M152-F583 HydrophobicContact SD-CE1 4.44Å; L153-F583 HydrophobicContact CD2-CE2 4.49Å; L153-F583 HydrophobicContact CD2-CZ 3.86Å; L153-F583 HydrophobicContact CG-CZ 4.2Å; G157-F583 CarbonylContact C-O 3.57Å; G157-F583 WeakPolarHBondContact CA-O 3.42Å; Y158-F583 PolarHBondContact N-O 3.22Å; P457-F583 HydrophobicContact CG-CD1 4.17Å; P457-F583 HydrophobicContact CG-CE1 4.2Å; N581-F583 PolarHBondContact O-N 3.44Å; F583-L585 HydrophobicContact CD2-CD1 4.11Å; F583-L585 HydrophobicContact CD2-CD2 4.26Å; F583-L585 HydrophobicContact CD2-CG 3.77Å; F583-L585 HydrophobicContact CE2-CD1 3.99Å; F583-L585 HydrophobicContact CE2-CG 4.14Å | ||
| 584 | N | 95.2 | Very high | 94.4 | Very high | 83 Ų | 83 | 66.9 Ų | 66.9 | 44% | 0.444 | 37% | 0.371 | S | S | . | . | B | Isolated β-bridge | trans | -135.6 | 112.9 | 168.8 | -177.1 | -10.2 | 0 | 0 | 0 | 108.2 | M586 | N584-M586 WeakPolarHBondContact OD1-CB 3.3Å; N584-M586 PolarHBondContact OD1-N 2.9Å |
| 585 | L | 93.4 | Very high | 94.2 | Very high | 116 Ų | 116 | 61.5 Ų | 61.5 | 61% | 0.607 | 35% | 0.349 | S | S | * | . | trans | -95 | 2.2 | -177.7 | -55.5 | 176.6 | 0 | 0 | 0 | 112.3 | K156 F583 | K156-L585 HydrophobicContact CB-CB 4.3Å; K156-L585 PolarHBondContact O-N 3.43Å; F583-L585 HydrophobicContact CD2-CD1 4.11Å; F583-L585 HydrophobicContact CD2-CD2 4.26Å; F583-L585 HydrophobicContact CD2-CG 3.77Å; F583-L585 HydrophobicContact CE2-CD1 3.99Å; F583-L585 HydrophobicContact CE2-CG 4.14Å | ||
| 586 | M | 92.8 | Very high | 93.9 | Very high | 24 Ų | 24 | 67.2 Ų | 67.2 | 12% | 0.118 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -76.1 | 134.3 | 176.2 | -63.7 | -150.9 | -52.9 | 0 | 0 | 111.2 | I63 K156 I159 N584 | I63-M586 HydrophobicContact CD1-CE 4.47Å; I63-M586 HydrophobicContact CG1-CE 4.02Å; I63-M586 HydrophobicContact CG1-SD 4.22Å; K156-M586 HydrophobicContact CB-CG 4.03Å; K156-M586 HydrophobicContact CD-CG 4.43Å; I159-M586 HydrophobicContact CB-CE 4.31Å; I159-M586 HydrophobicContact CD1-CE 3.59Å; I159-M586 HydrophobicContact CD1-CG 4.06Å; I159-M586 HydrophobicContact CD1-SD 3.55Å; I159-M586 VanDerWaalsContact CD1-SD 3.55Å; I159-M586 HydrophobicContact CG1-CE 3.84Å; I159-M586 HydrophobicContact CG1-CG 4.46Å; I159-M586 HydrophobicContact CG1-SD 4.33Å; I159-M586 HydrophobicContact CG2-CE 3.47Å; I159-M586 VanDerWaalsContact CG2-CE 3.47Å; N584-M586 WeakPolarHBondContact OD1-CB 3.3Å; N584-M586 PolarHBondContact OD1-N 2.9Å |
| 587 | A | 90.2 | Very high | 93.7 | Very high | 72 Ų | 72 | 72.8 Ų | 72.8 | 60% | 0.595 | 41% | 0.411 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 142.3 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | R627 | A587-R627 PolarHBondContact O-NH1 2.75Å; A587-R627 PolarHBondContact O-NH2 3Å |
| 588 | P | 88 | Confident | 93.6 | Very high | 113 Ų | 113 | 69.2 Ų | 69.2 | 73% | 0.734 | 40% | 0.397 | S | S | * | . | P | Polyproline II helix | trans | -55.9 | 143.7 | 168 | -23.8 | 33.7 | 0 | 0 | 0 | 111 | A590 | P588-A590 PolarHBondContact O-N 3.25Š|
| 589 | A | 90.4 | Very high | 93.6 | Very high | 11 Ų | 11 | 70.4 Ų | 70.4 | 9% | 0.091 | 41% | 0.409 | C | S | . | . | P | Polyproline II helix | trans | -61.8 | 123.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | R627 H628 K699 | A589-R627 HydrophobicContact CB-CB 4.1Å; A589-H628 WeakPolarHBondContact CB-CE1 3.41Å; A589-K699 PolarHBondContact O-NZ 3.42Å |
| 590 | A | 91.6 | Very high | 93.8 | Very high | 53 Ų | 53 | 65.9 Ų | 65.9 | 44% | 0.438 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -68.3 | 164 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | P588 D592 H628 | P588-A590 PolarHBondContact O-N 3.25Å; A590-D592 PolarHBondContact O-N 2.92Å; A590-H628 PolarHBondContact O-CE1 3.01Å; A590-H628 PolarHBondContact O-NE2 2.85Å |
| 591 | V | 94.5 | Very high | 94 | Very high | 28 Ų | 28 | 62.7 Ų | 62.7 | 17% | 0.17 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 128.8 | 168.2 | 162.5 | 0 | 0 | 0 | 0 | 109 | R671 K699 L701 | V591-R671 VanDerWaalsContact O-CD 3.27Å; V591-R671 WeakPolarHBondContact O-CD 3.34Å; V591-R671 PolarHBondContact O-NH1 3.49Å; V591-K699 CarbonylContact C-O 3.58Å; V591-K699 WeakPolarHBondContact CA-O 3.23Å; V591-K699 WeakPolarHBondContact CG1-O 3.49Å; V591-K699 HydrophobicContact CG2-CD 4.41Å; V591-K699 HydrophobicContact CG2-CG 4.21Å; V591-L701 HydrophobicContact CG2-CD1 4.22Å; V591-L701 HydrophobicContact CG2-CD2 4.38Å; V591-L701 HydrophobicContact CG2-CG 3.83Å |
| 592 | D | 96.9 | Very high | 94.3 | Very high | 11 Ų | 11 | 61.4 Ų | 61.4 | 6% | 0.059 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -75.9 | 154.7 | -179.3 | -56.2 | -67.6 | 0 | 0 | 0 | 111 | A590 F600 N625 H628 N673 Y698 K699 | A590-D592 PolarHBondContact O-N 2.92Å; D592-F600 HydrophobicContact CB-CE1 3.87Å; D592-F600 HydrophobicContact CB-CZ 3.62Å; D592-N625 PolarHBondContact OD1-N 2.95Å; D592-N625 VanDerWaalsContact OD1-N 3.09Å; D592-H628 IonicContact OD1-NE2 3.67Å; D592-H628 IonicContact OD2-CD2 3.44Å; D592-H628 PolarHBondContact OD2-CD2 3.22Å; D592-H628 IonicContact OD2-NE2 3.57Å; D592-H628 PolarHBondContact OD2-NE2 3.04Å; D592-N673 PolarHBondContact OD1-ND2 3.07Å; D592-Y698 WeakPolarHBondContact OD2-CA 3.36Å; D592-K699 PolarHBondContact N-O 3.3Å; D592-K699 PolarHBondContact OD2-N 3.04Å |
| 593 | R | 95.8 | Very high | 94.5 | Very high | 105 Ų | 105 | 61.3 Ų | 61.3 | 40% | 0.396 | 35% | 0.352 | S | S | . | . | B | Isolated β-bridge | trans | -125.3 | 160.1 | 169.8 | -68.4 | -169 | 171.4 | 173 | -10.5 | 109 | N670 R671 Q672 | R593-N670 VanDerWaalsContact CD-O 3.3Å; R593-N670 WeakPolarHBondContact CD-O 3.32Å; R593-N670 PolarHBondContact NH1-OD1 3Å; R593-R671 HydrophobicContact CB-CB 4.41Å; R593-R671 HydrophobicContact CG-CB 4.26Å; R593-R671 PolarHBondContact N-O 3Å; R593-R671 VanDerWaalsContact NE-NH2 3.19Å; R593-Q672 HydrophobicContact CB-CG 3.91Å; R593-Q672 WeakPolarHBondContact O-CA 3.23Å |
| 594 | K | 94.9 | Very high | 94.6 | Very high | 90 Ų | 90 | 62.9 Ų | 62.9 | 39% | 0.391 | 36% | 0.362 | S | S | . | . | trans | -119.4 | 157.7 | 172.2 | 58 | -176.7 | -169.3 | 162.8 | 0 | 110.1 | S598 S599 F600 V622 Q672 | K594-S598 WeakPolarHBondContact CD-O 3.43Å; K594-S598 WeakPolarHBondContact CE-O 3.4Å; K594-S598 PolarHBondContact NZ-O 3.34Å; K594-S599 PolarHBondContact NZ-OG 2.68Å; K594-F600 HydrophobicContact CB-CE2 4.38Å; K594-F600 HydrophobicContact CB-CZ 4.29Å; K594-F600 HydrophobicContact CD-CD2 4.38Å; K594-F600 HydrophobicContact CD-CE2 4.36Å; K594-V622 HydrophobicContact CB-CG1 3.86Å; K594-Q672 PolarHBondContact O-NE2 3.31Å | ||
| 595 | P | 94.3 | Very high | 94.7 | Very high | 33 Ų | 33 | 64.7 Ų | 64.7 | 21% | 0.214 | 37% | 0.368 | C | S | . | . | trans | -50.7 | 156.8 | 165.5 | -27.2 | 34.4 | 0 | 0 | 0 | 112.7 | N597 S598 L604 V622 | P595-N597 PolarHBondContact O-N 2.92Å; P595-S598 WeakPolarHBondContact CB-OG 3.48Å; P595-S598 VanDerWaalsContact CD-OG 3.29Å; P595-S598 WeakPolarHBondContact CD-OG 3.43Å; P595-S598 PolarHBondContact O-N 2.92Å; P595-S598 PolarHBondContact O-OG 2.76Å; P595-L604 HydrophobicContact CG-CD2 4.46Å; P595-V622 HydrophobicContact CG-CG2 4.26Å | ||
| 596 | V | 92.4 | Very high | 94.9 | Very high | 129 Ų | 129 | 62.5 Ų | 62.5 | 78% | 0.782 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | 135.9 | 176.3 | -180 | 0 | 0 | 0 | 0 | 108.4 | S598 | V596-S598 PolarHBondContact O-N 3.12Š|
| 597 | N | 92.6 | Very high | 95.2 | Very high | 165 Ų | 165 | 62 Ų | 62 | 88% | 0.882 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.8 | 18.5 | -178.7 | -56.1 | -23.5 | 0 | 0 | 0 | 116 | P595 | P595-N597 PolarHBondContact O-N 2.92Š|
| 598 | S | 95.9 | Very high | 95.6 | Very high | 16 Ų | 16 | 63.6 Ų | 63.6 | 11% | 0.112 | 35% | 0.351 | C | S | . | . | trans | -109.9 | 178.9 | 167.3 | 74.2 | 0 | 0 | 0 | 0 | 111.5 | K594 P595 V596 D602 | K594-S598 WeakPolarHBondContact CD-O 3.43Å; K594-S598 WeakPolarHBondContact CE-O 3.4Å; K594-S598 PolarHBondContact NZ-O 3.34Å; P595-S598 WeakPolarHBondContact CB-OG 3.48Å; P595-S598 VanDerWaalsContact CD-OG 3.29Å; P595-S598 WeakPolarHBondContact CD-OG 3.43Å; P595-S598 PolarHBondContact O-N 2.92Å; P595-S598 PolarHBondContact O-OG 2.76Å; V596-S598 PolarHBondContact O-N 3.12Å; S598-D602 WeakPolarHBondContact CA-OD2 3.44Å; S598-D602 WeakPolarHBondContact CB-OD2 3.25Å | ||
| 599 | S | 97.3 | Very high | 96 | Very high | 55 Ų | 55 | 62.8 Ų | 62.8 | 39% | 0.385 | 35% | 0.345 | S | S | . | . | trans | -129.4 | 160.1 | 170.9 | -67.8 | 0 | 0 | 0 | 0 | 110.7 | K594 G601 D602 V622 | K594-S599 PolarHBondContact NZ-OG 2.68Å; S599-G601 PolarHBondContact O-N 3.25Å; S599-D602 VanDerWaalsContact N-CG 3.34Å; S599-D602 PolarHBondContact N-OD2 2.86Å; S599-D602 WeakPolarHBondContact O-CB 3.42Å; S599-D602 PolarHBondContact O-N 3.27Å; S599-V622 WeakPolarHBondContact O-CB 3.4Å | ||
| 600 | F | 98.2 | Very high | 96.4 | Very high | 25 Ų | 25 | 64.4 Ų | 64.4 | 11% | 0.11 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | 132.7 | 169.9 | -68.3 | -78.5 | 0 | 0 | 0 | 108.7 | D592 K594 V622 Y698 Y711 | D592-F600 HydrophobicContact CB-CE1 3.87Å; D592-F600 HydrophobicContact CB-CZ 3.62Å; K594-F600 HydrophobicContact CB-CE2 4.38Å; K594-F600 HydrophobicContact CB-CZ 4.29Å; K594-F600 HydrophobicContact CD-CD2 4.38Å; K594-F600 HydrophobicContact CD-CE2 4.36Å; F600-V622 HydrophobicContact CD1-CG1 4Å; F600-V622 HydrophobicContact CE1-CG1 4.43Å; F600-Y698 HydrophobicContact CB-CD1 3.96Å; F600-Y698 HydrophobicContact CB-CE1 4.38Å; F600-Y698 HydrophobicContact CD1-CD1 4.48Å; F600-Y698 HydrophobicContact CD1-CG 4.21Å; F600-Y698 AromaticContact CD2-CD1 3.41Å; F600-Y698 HydrophobicContact CD2-CD1 3.41Å; F600-Y698 VanDerWaalsContact CD2-CD1 3.41Å; F600-Y698 AromaticContact CD2-CD2 3.51Å; F600-Y698 HydrophobicContact CD2-CD2 3.51Å; F600-Y698 AromaticContact CD2-CE1 3.68Å; F600-Y698 HydrophobicContact CD2-CE1 3.68Å; F600-Y698 AromaticContact CD2-CE2 3.76Å; F600-Y698 HydrophobicContact CD2-CE2 3.76Å; F600-Y698 AromaticContact CD2-CG 3.32Å; F600-Y698 HydrophobicContact CD2-CG 3.32Å; F600-Y698 AromaticContact CD2-CZ 3.86Å; F600-Y698 HydrophobicContact CE1-CG 4.27Å; F600-Y698 AromaticContact CE2-CD1 3.99Å; F600-Y698 HydrophobicContact CE2-CD1 3.99Å; F600-Y698 AromaticContact CE2-CD2 3.17Å; F600-Y698 HydrophobicContact CE2-CD2 3.17Å; F600-Y698 HydrophobicContact CE2-CE1 4.36Å; F600-Y698 AromaticContact CE2-CE2 3.6Å; F600-Y698 HydrophobicContact CE2-CE2 3.6Å; F600-Y698 AromaticContact CE2-CG 3.4Å; F600-Y698 HydrophobicContact CE2-CG 3.4Å; F600-Y698 AromaticContact CG-CD1 3.71Å; F600-Y698 HydrophobicContact CG-CD1 3.71Å; F600-Y698 HydrophobicContact CG-CD2 4.38Å; F600-Y698 HydrophobicContact CG-CE1 4.28Å; F600-Y698 AromaticContact CG-CG 3.77Å; F600-Y698 HydrophobicContact CG-CG 3.77Å; F600-Y698 AromaticContact CZ-CD2 3.82Å; F600-Y698 HydrophobicContact CZ-CD2 3.82Å; F600-Y698 AromaticContact CZ-CG 3.89Å; F600-Y698 HydrophobicContact CZ-CG 3.89Å; F600-Y711 VanDerWaalsContact C-CD2 3.49Å; F600-Y711 HydrophobicContact CB-CD1 3.87Å; F600-Y711 HydrophobicContact CB-CD2 3.87Å; F600-Y711 HydrophobicContact CB-CE1 4.28Å; F600-Y711 HydrophobicContact CB-CE2 4.28Å; F600-Y711 HydrophobicContact CB-CG 3.64Å |
| 601 | G | 98.1 | Very high | 96.6 | Very high | 6 Ų | 6 | 62.7 Ų | 62.7 | 6% | 0.062 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 95.4 | -13.2 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | S599 F621 V622 Y711 G713 | S599-G601 PolarHBondContact O-N 3.25Å; G601-F621 WeakPolarHBondContact O-CD1 3.24Å; G601-V622 PolarHBondContact N-O 3.32Å; G601-Y711 VanDerWaalsContact N-CD2 3.27Å; G601-G713 WeakPolarHBondContact O-CA 3.26Å |
| 602 | D | 98.4 | Very high | 96.8 | Very high | 67 Ų | 67 | 65.9 Ų | 65.9 | 36% | 0.358 | 35% | 0.346 | S | S | . | . | trans | -65 | 141.1 | 174.6 | -71.8 | 2.6 | 0 | 0 | 0 | 110.8 | S598 S599 F621 V622 | S598-D602 WeakPolarHBondContact CA-OD2 3.44Å; S598-D602 WeakPolarHBondContact CB-OD2 3.25Å; S599-D602 VanDerWaalsContact N-CG 3.34Å; S599-D602 PolarHBondContact N-OD2 2.86Å; S599-D602 WeakPolarHBondContact O-CB 3.42Å; S599-D602 PolarHBondContact O-N 3.27Å; D602-F621 CarbonylContact O-C 3Å; D602-F621 VanDerWaalsContact O-CA 3.31Å; D602-F621 WeakPolarHBondContact O-CA 3.45Å; D602-V622 HydrophobicContact CB-CG2 4.24Å; D602-V622 PolarHBondContact O-N 2.81Å | ||
| 603 | V | 98.4 | Very high | 96.7 | Very high | 44 Ų | 44 | 68.6 Ų | 68.6 | 27% | 0.267 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 126 | 176.5 | -177.8 | 0 | 0 | 0 | 0 | 110.1 | E605 Q606 V619 T620 F621 S714 | V603-E605 VanDerWaalsContact CG1-O 3.27Å; V603-E605 WeakPolarHBondContact CG1-O 3.48Å; V603-Q606 HydrophobicContact CG1-CB 4.1Å; V603-V619 HydrophobicContact CG1-CG2 3.85Å; V603-V619 HydrophobicContact CG2-CG2 4.39Å; V603-T620 CarbonylContact C-O 3.55Å; V603-F621 HydrophobicContact CG2-CD1 3.82Å; V603-F621 HydrophobicContact CG2-CE1 3.64Å; V603-S714 WeakPolarHBondContact CG2-O 3.43Å |
| 604 | L | 97 | Very high | 96.7 | Very high | 75 Ų | 75 | 66.4 Ų | 66.4 | 39% | 0.393 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | -40.3 | 174.1 | -65.4 | 176.9 | 0 | 0 | 0 | 112 | P595 T620 V622 N674 | P595-L604 HydrophobicContact CG-CD2 4.46Å; L604-T620 HydrophobicContact CB-CG2 4.24Å; L604-T620 HydrophobicContact CD1-CG2 4.29Å; L604-T620 PolarHBondContact N-O 3.21Å; L604-V622 HydrophobicContact CD1-CG2 3.96Å; L604-V622 HydrophobicContact CD2-CG2 3.58Å; L604-V622 HydrophobicContact CG-CG2 3.71Å; L604-N674 WeakPolarHBondContact CD1-OD1 3.25Å |
| 605 | E | 97.8 | Very high | 96.8 | Very high | 120 Ų | 120 | 64.1 Ų | 64.1 | 56% | 0.561 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 119.3 | 177 | -62.7 | 174 | 163.7 | 0 | 0 | 108 | V603 V619 T620 | V603-E605 VanDerWaalsContact CG1-O 3.27Å; V603-E605 WeakPolarHBondContact CG1-O 3.48Å; E605-V619 WeakPolarHBondContact O-CA 3.21Å; E605-V619 WeakPolarHBondContact O-CG2 3.23Å; E605-T620 PolarHBondContact N-O 3.32Å; E605-T620 PolarHBondContact O-N 2.85Å; E605-T620 PolarHBondContact OE2-OG1 3.03Å |
| 606 | Q | 98.1 | Very high | 97 | Very high | 71 Ų | 71 | 66.5 Ų | 66.5 | 33% | 0.332 | 37% | 0.37 | S | S | . | . | P | Polyproline II helix | trans | -92.4 | 153.9 | -172.1 | -169.3 | 56 | -69.3 | 0 | 0 | 112.5 | V603 D716 | V603-Q606 HydrophobicContact CG1-CB 4.1Å; Q606-D716 HydrophobicContact CG-CB 4.19Å; Q606-D716 WeakPolarHBondContact CG-OD2 3.44Å; Q606-D716 PolarHBondContact NE2-OD1 3.03Å; Q606-D716 PolarHBondContact NE2-OD2 3.11Å; Q606-D716 VanDerWaalsContact NE2-OD2 3.1Å |
| 607 | V | 98.4 | Very high | 97.3 | Very high | 13 Ų | 13 | 60.3 Ų | 60.3 | 8% | 0.079 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -62.2 | 154.8 | 170.7 | -59.2 | 0 | 0 | 0 | 0 | 112.3 | Y611 V617 V619 D716 F718 | V607-Y611 HydrophobicContact CB-CE2 4.25Å; V607-V617 HydrophobicContact CB-CG1 4.17Å; V607-V617 HydrophobicContact CG1-CG1 3.51Å; V607-V619 HydrophobicContact CG1-CB 3.85Å; V607-V619 HydrophobicContact CG1-CG1 4.49Å; V607-V619 HydrophobicContact CG1-CG2 4.47Å; V607-D716 HydrophobicContact CG2-CB 4.35Å; V607-F718 HydrophobicContact CB-CD1 4.14Å; V607-F718 HydrophobicContact CG1-CD1 4.24Å; V607-F718 HydrophobicContact CG1-CE1 4.32Å; V607-F718 HydrophobicContact CG2-CB 4.13Å; V607-F718 HydrophobicContact CG2-CD1 3.75Å; V607-F718 HydrophobicContact CG2-CG 4.26Å |
| 608 | L | 97.9 | Very high | 97.6 | Very high | 106 Ų | 106 | 54.5 Ų | 54.5 | 56% | 0.555 | 31% | 0.305 | S | S | * | . | P | Polyproline II helix | trans | -75 | 154 | 166.6 | -60.6 | 176.2 | 0 | 0 | 0 | 110.2 | V610 Y611 F718 | L608-V610 VanDerWaalsContact C-N 3.28Å; L608-V610 PolarHBondContact O-N 3.15Å; L608-Y611 HydrophobicContact CB-CE1 4.33Å; L608-Y611 HydrophobicContact CB-CE2 3.81Å; L608-Y611 HydrophobicContact CD1-CE1 4.29Å; L608-Y611 PolarHBondContact N-OH 2.93Å; L608-Y611 WeakPolarHBondContact O-CE2 3.31Å; L608-F718 WeakPolarHBondContact O-CB 2.95Å |
| 609 | P | 97.4 | Very high | 97.7 | Very high | 95 Ų | 95 | 53.7 Ų | 53.7 | 62% | 0.617 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -70.8 | -19.5 | -178.1 | 26.9 | -35.3 | 0 | 0 | 0 | 114.3 | F718 S719 | P609-F718 WeakPolarHBondContact O-CA 3.22Å; P609-S719 PolarHBondContact O-N 3.31Å; P609-S719 PolarHBondContact O-OG 3.22Å |
| 610 | V | 97.5 | Very high | 97.8 | Very high | 46 Ų | 46 | 51.2 Ų | 51.2 | 28% | 0.279 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 133.5 | -175.6 | -171 | 0 | 0 | 0 | 0 | 110.4 | L608 S719 Y724 | L608-V610 VanDerWaalsContact C-N 3.28Å; L608-V610 PolarHBondContact O-N 3.15Å; V610-S719 CarbonylContact C-O 3.34Å; V610-S719 WeakPolarHBondContact CA-O 2.96Å; V610-Y724 HydrophobicContact CG1-CD1 4.2Å |
| 611 | Y | 97.8 | Very high | 97.8 | Very high | 16 Ų | 16 | 50 Ų | 50 | 6% | 0.063 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 156.7 | 173.6 | -69 | -90.2 | 0 | 0 | 0 | 111.1 | V607 L608 D615 I616 V617 I681 F718 S719 V720 G721 | V607-Y611 HydrophobicContact CB-CE2 4.25Å; L608-Y611 HydrophobicContact CB-CE1 4.33Å; L608-Y611 HydrophobicContact CB-CE2 3.81Å; L608-Y611 HydrophobicContact CD1-CE1 4.29Å; L608-Y611 PolarHBondContact N-OH 2.93Å; L608-Y611 WeakPolarHBondContact O-CE2 3.31Å; Y611-D615 HydrophobicContact CD1-CB 3.89Å; Y611-I616 WeakPolarHBondContact CE1-O 3.15Å; Y611-V617 HydrophobicContact CD1-CG2 4.02Å; Y611-V617 HydrophobicContact CD2-CG2 3.84Å; Y611-V617 HydrophobicContact CE1-CB 4.43Å; Y611-V617 HydrophobicContact CE1-CG2 4.1Å; Y611-V617 HydrophobicContact CE2-CB 4.36Å; Y611-V617 HydrophobicContact CE2-CG1 3.95Å; Y611-V617 HydrophobicContact CE2-CG2 3.9Å; Y611-V617 HydrophobicContact CG-CG2 3.88Å; Y611-I681 HydrophobicContact CG-CD1 4.19Å; Y611-F718 HydrophobicContact CD2-CB 4.35Å; Y611-F718 AromaticContact CD2-CD2 3.58Å; Y611-F718 HydrophobicContact CD2-CD2 3.58Å; Y611-F718 HydrophobicContact CD2-CE2 4.16Å; Y611-F718 HydrophobicContact CD2-CG 4.18Å; Y611-F718 HydrophobicContact CE2-CB 4.39Å; Y611-F718 HydrophobicContact CE2-CD2 4.02Å; Y611-F718 HydrophobicContact CE2-CG 4.24Å; Y611-S719 PolarHBondContact N-O 3.03Å; Y611-V720 WeakPolarHBondContact O-CA 3.24Å; Y611-G721 PolarHBondContact O-N 3.16Å |
| 612 | R | 96.8 | Very high | 97.8 | Very high | 96 Ų | 96 | 49.8 Ų | 49.8 | 36% | 0.362 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 154.5 | 167.7 | -69.1 | 168.6 | -168.4 | -174.9 | 2.4 | 110.8 | G614 D615 G721 Y724 | R612-G614 PolarHBondContact O-N 3.38Å; R612-D615 PolarHBondContact N-OD2 2.82Å; R612-D615 VanDerWaalsContact O-CB 3.23Å; R612-D615 WeakPolarHBondContact O-CB 3.2Å; R612-D615 PolarHBondContact O-N 2.87Å; R612-G721 CarbonylContact C-O 3.47Å; R612-G721 VanDerWaalsContact CA-O 3.28Å; R612-G721 WeakPolarHBondContact CA-O 3.47Å; R612-Y724 HydrophobicContact CB-CE1 4.24Å; R612-Y724 HydrophobicContact CG-CD1 3.66Å; R612-Y724 HydrophobicContact CG-CE1 3.49Å; R612-Y724 VanDerWaalsContact CG-CE1 3.49Å; R612-Y724 HydrophobicContact CG-CE2 4.41Å; R612-Y724 HydrophobicContact CG-CG 4.16Å; R612-Y724 VanDerWaalsContact NE-CZ 3.29Å |
| 613 | Q | 96.6 | Very high | 97.8 | Very high | 67 Ų | 67 | 46.7 Ų | 46.7 | 31% | 0.313 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.6 | 129.5 | 159.4 | -71.3 | 166.1 | -17 | 0 | 0 | 110.4 | I681 A685 V720 G721 | Q613-I681 HydrophobicContact CG-CG2 4.44Å; Q613-A685 PolarHBondContact NE2-O 3.18Å; Q613-V720 HydrophobicContact CG-CG1 4.34Å; Q613-G721 PolarHBondContact N-O 2.78Å |
| 614 | G | 95 | Very high | 97.8 | Very high | 59 Ų | 59 | 44.7 Ų | 44.7 | 61% | 0.608 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 91.7 | -12.3 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | R612 I681 | R612-G614 PolarHBondContact O-N 3.38Å; G614-I681 VanDerWaalsContact CA-O 3.28Å; G614-I681 WeakPolarHBondContact CA-O 3.11Å; G614-I681 PolarHBondContact N-O 3.3Å |
| 615 | D | 97.8 | Very high | 97.8 | Very high | 42 Ų | 42 | 41.4 Ų | 41.4 | 23% | 0.225 | 23% | 0.229 | C | C | . | . | trans | -74.8 | 166.9 | 171.4 | -67.1 | -13.3 | 0 | 0 | 0 | 111 | Y611 R612 I681 Y724 | Y611-D615 HydrophobicContact CD1-CB 3.89Å; R612-D615 PolarHBondContact N-OD2 2.82Å; R612-D615 VanDerWaalsContact O-CB 3.23Å; R612-D615 WeakPolarHBondContact O-CB 3.2Å; R612-D615 PolarHBondContact O-N 2.87Å; D615-I681 HydrophobicContact CB-CD1 4.44Å; D615-I681 PolarHBondContact O-N 3.19Å; D615-Y724 PolarHBondContact OD1-OH 2.81Å; D615-Y724 WeakPolarHBondContact OD2-CE1 3.48Å; D615-Y724 PolarHBondContact OD2-OH 2.92Å | ||
| 616 | I | 98.1 | Very high | 97.7 | Very high | 83 Ų | 83 | 36 Ų | 36 | 43% | 0.426 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 119.3 | 175.7 | -54.4 | 167.6 | 0 | 0 | 0 | 108 | Y611 E678 W679 F680 | Y611-I616 WeakPolarHBondContact CE1-O 3.15Å; I616-E678 HydrophobicContact CG2-CB 4.24Å; I616-W679 WeakPolarHBondContact CA-O 3.42Å; I616-F680 HydrophobicContact CD1-CD1 3.85Å; I616-F680 HydrophobicContact CD1-CE1 3.31Å; I616-F680 HydrophobicContact CD1-CZ 3.88Å; I616-F680 HydrophobicContact CG1-CD1 3.68Å; I616-F680 HydrophobicContact CG1-CE1 3.67Å; I616-F680 HydrophobicContact CG1-CG 4.31Å; I616-F680 HydrophobicContact CG1-CZ 4.27Å; I616-F680 HydrophobicContact CG2-CD2 4.47Å; I616-F680 HydrophobicContact CG2-CE1 4.37Å; I616-F680 HydrophobicContact CG2-CE2 4.2Å; I616-F680 HydrophobicContact CG2-CZ 4.13Å |
| 617 | V | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 136.3 | 168.8 | -172.9 | 0 | 0 | 0 | 0 | 107.9 | V607 Y611 E678 W679 I681 I692 F718 | V607-V617 HydrophobicContact CB-CG1 4.17Å; V607-V617 HydrophobicContact CG1-CG1 3.51Å; Y611-V617 HydrophobicContact CD1-CG2 4.02Å; Y611-V617 HydrophobicContact CD2-CG2 3.84Å; Y611-V617 HydrophobicContact CE1-CB 4.43Å; Y611-V617 HydrophobicContact CE1-CG2 4.1Å; Y611-V617 HydrophobicContact CE2-CB 4.36Å; Y611-V617 HydrophobicContact CE2-CG1 3.95Å; Y611-V617 HydrophobicContact CE2-CG2 3.9Å; Y611-V617 HydrophobicContact CG-CG2 3.88Å; V617-E678 CarbonylContact O-C 3.13Å; V617-E678 VanDerWaalsContact O-CA 3.24Å; V617-E678 WeakPolarHBondContact O-CA 3.19Å; V617-W679 HydrophobicContact CB-CB 4.3Å; V617-W679 HydrophobicContact CB-CE3 4.43Å; V617-W679 HydrophobicContact CG2-CE3 3.86Å; V617-W679 HydrophobicContact CG2-CZ3 4.47Å; V617-W679 PolarHBondContact N-O 2.98Å; V617-W679 PolarHBondContact O-N 3.01Å; V617-I681 HydrophobicContact CG2-CD1 3.61Å; V617-I681 HydrophobicContact CG2-CG1 3.93Å; V617-I692 HydrophobicContact CB-CD1 4.14Å; V617-I692 HydrophobicContact CG1-CD1 3.64Å; V617-F718 HydrophobicContact CB-CZ 4.38Å; V617-F718 HydrophobicContact CG1-CE1 4.08Å; V617-F718 HydrophobicContact CG1-CE2 4.18Å; V617-F718 HydrophobicContact CG1-CZ 3.81Å; V617-F718 HydrophobicContact CG2-CD2 4.4Å; V617-F718 HydrophobicContact CG2-CE2 3.63Å; V617-F718 HydrophobicContact CG2-CZ 3.93Å |
| 618 | S | 98.4 | Very high | 97.5 | Very high | 42 Ų | 42 | 35.5 Ų | 35.5 | 29% | 0.294 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 133.7 | 175.2 | -173.4 | 0 | 0 | 0 | 0 | 109.6 | V677 | S618-V677 WeakPolarHBondContact CA-O 3.1Å |
| 619 | V | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 136.6 | 176.4 | 56.5 | 0 | 0 | 0 | 0 | 109.2 | V603 E605 V607 F621 T676 V677 I692 | V603-V619 HydrophobicContact CG1-CG2 3.85Å; V603-V619 HydrophobicContact CG2-CG2 4.39Å; E605-V619 WeakPolarHBondContact O-CA 3.21Å; E605-V619 WeakPolarHBondContact O-CG2 3.23Å; V607-V619 HydrophobicContact CG1-CB 3.85Å; V607-V619 HydrophobicContact CG1-CG1 4.49Å; V607-V619 HydrophobicContact CG1-CG2 4.47Å; V619-F621 HydrophobicContact CB-CE2 4.25Å; V619-F621 HydrophobicContact CB-CZ 4.36Å; V619-F621 HydrophobicContact CG1-CE2 3.53Å; V619-F621 HydrophobicContact CG1-CZ 3.8Å; V619-F621 HydrophobicContact CG2-CD2 4.42Å; V619-F621 HydrophobicContact CG2-CE1 4.08Å; V619-F621 HydrophobicContact CG2-CE2 3.79Å; V619-F621 HydrophobicContact CG2-CZ 3.59Å; V619-T676 CarbonylContact O-C 3.47Å; V619-T676 WeakPolarHBondContact O-CA 3.08Å; V619-V677 HydrophobicContact CG1-CB 4.04Å; V619-V677 PolarHBondContact N-O 3.22Å; V619-V677 PolarHBondContact O-N 3.14Å; V619-I692 HydrophobicContact CG1-CB 3.89Å; V619-I692 HydrophobicContact CG1-CD1 4.02Å; V619-I692 HydrophobicContact CG1-CG2 3.67Å |
| 620 | T | 98.6 | Very high | 97 | Very high | 3 Ų | 3 | 28.9 Ų | 28.9 | 2% | 0.018 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 130.1 | -179.5 | -60.1 | 0 | 0 | 0 | 0 | 110.2 | V603 L604 E605 N674 A675 T676 | V603-T620 CarbonylContact C-O 3.55Å; L604-T620 HydrophobicContact CB-CG2 4.24Å; L604-T620 HydrophobicContact CD1-CG2 4.29Å; L604-T620 PolarHBondContact N-O 3.21Å; E605-T620 PolarHBondContact N-O 3.32Å; E605-T620 PolarHBondContact O-N 2.85Å; E605-T620 PolarHBondContact OE2-OG1 3.03Å; T620-N674 HydrophobicContact CG2-CB 3.9Å; T620-A675 CarbonylContact C-O 3.52Å; T620-A675 WeakPolarHBondContact CA-O 3.34Å; T620-T676 PolarHBondContact OG1-OG1 2.73Å |
| 621 | F | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 153 | 179.7 | -55.1 | -90.5 | 0 | 0 | 0 | 111.9 | G601 D602 V603 V619 A623 N674 A675 V677 H694 | G601-F621 WeakPolarHBondContact O-CD1 3.24Å; D602-F621 CarbonylContact O-C 3Å; D602-F621 VanDerWaalsContact O-CA 3.31Å; D602-F621 WeakPolarHBondContact O-CA 3.45Å; V603-F621 HydrophobicContact CG2-CD1 3.82Å; V603-F621 HydrophobicContact CG2-CE1 3.64Å; V619-F621 HydrophobicContact CB-CE2 4.25Å; V619-F621 HydrophobicContact CB-CZ 4.36Å; V619-F621 HydrophobicContact CG1-CE2 3.53Å; V619-F621 HydrophobicContact CG1-CZ 3.8Å; V619-F621 HydrophobicContact CG2-CD2 4.42Å; V619-F621 HydrophobicContact CG2-CE1 4.08Å; V619-F621 HydrophobicContact CG2-CE2 3.79Å; V619-F621 HydrophobicContact CG2-CZ 3.59Å; F621-A623 PolarHBondContact O-N 2.86Å; F621-N674 VanDerWaalsContact O-CA 3.29Å; F621-N674 WeakPolarHBondContact O-CA 3.2Å; F621-A675 PolarHBondContact N-O 2.92Å; F621-A675 PolarHBondContact O-N 3.2Å; F621-V677 HydrophobicContact CD2-CG2 4.39Å; F621-V677 HydrophobicContact CE2-CG2 4.04Å; F621-H694 HydrophobicContact CD1-CB 4.35Å; F621-H694 HydrophobicContact CD2-CB 3.55Å; F621-H694 HydrophobicContact CE1-CB 4.35Å; F621-H694 HydrophobicContact CE2-CB 3.55Å; F621-H694 HydrophobicContact CG-CB 3.97Å; F621-H694 HydrophobicContact CZ-CB 3.97Å |
| 622 | V | 98.4 | Very high | 96.2 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.006 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 123 | 161.9 | -179.7 | 0 | 0 | 0 | 0 | 108.6 | K594 P595 S599 F600 G601 D602 L604 | K594-V622 HydrophobicContact CB-CG1 3.86Å; P595-V622 HydrophobicContact CG-CG2 4.26Å; S599-V622 WeakPolarHBondContact O-CB 3.4Å; F600-V622 HydrophobicContact CD1-CG1 4Å; F600-V622 HydrophobicContact CE1-CG1 4.43Å; G601-V622 PolarHBondContact N-O 3.32Å; D602-V622 HydrophobicContact CB-CG2 4.24Å; D602-V622 PolarHBondContact O-N 2.81Å; L604-V622 HydrophobicContact CD1-CG2 3.96Å; L604-V622 HydrophobicContact CD2-CG2 3.58Å; L604-V622 HydrophobicContact CG-CG2 3.71Å |
| 623 | A | 97.9 | Very high | 96.1 | Very high | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.008 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 148.7 | -170 | 0 | 0 | 0 | 0 | 0 | 114.9 | F621 N673 A675 Y711 | F621-A623 PolarHBondContact O-N 2.86Å; A623-N673 PolarHBondContact N-O 3.48Å; A623-N673 CarbonylContact O-C 3.06Å; A623-N673 WeakPolarHBondContact O-CB 3.49Å; A623-N673 VanDerWaalsContact O-O 3.07Å; A623-A675 HydrophobicContact CB-CB 3.55Å; A623-Y711 WeakPolarHBondContact CA-OH 3.4Å; A623-Y711 VanDerWaalsContact CB-OH 3.29Å; A623-Y711 WeakPolarHBondContact CB-OH 3.45Å |
| 624 | G | 97.6 | Very high | 95.6 | Very high | 3 Ų | 3 | 28.2 Ų | 28.2 | 3% | 0.031 | 17% | 0.173 | C | C | . | . | trans | -80.1 | 168 | 163.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | P626 W665 H697 Y711 | G624-P626 WeakPolarHBondContact O-CD 3.29Å; G624-W665 PolarHBondContact O-NE1 2.89Å; G624-H697 WeakPolarHBondContact CA-O 3.4Å; G624-Y711 PolarHBondContact N-OH 3.24Å | ||
| 625 | N | 97.1 | Very high | 95.6 | Very high | 6 Ų | 6 | 30.6 Ų | 30.6 | 3% | 0.032 | 17% | 0.169 | C | C | . | . | trans | -70.7 | 125.6 | 173.1 | -173.1 | -38.9 | 0 | 0 | 0 | 111.2 | E62 D592 R627 H628 W665 | E62-N625 PolarHBondContact OE2-ND2 2.89Å; D592-N625 PolarHBondContact OD1-N 2.95Å; D592-N625 VanDerWaalsContact OD1-N 3.09Å; N625-R627 PolarHBondContact O-N 3.29Å; N625-R627 VanDerWaalsContact OD1-CB 3.3Å; N625-R627 WeakPolarHBondContact OD1-CB 3.24Å; N625-R627 WeakPolarHBondContact OD1-CG 3.28Å; N625-R627 PolarHBondContact OD1-N 3.04Å; N625-H628 PolarHBondContact O-CD2 3.1Å; N625-H628 VanDerWaalsContact O-CD2 3.27Å; N625-H628 PolarHBondContact O-N 3.34Å; N625-W665 HydrophobicContact CB-CZ2 4.01Å | ||
| 626 | P | 97.1 | Very high | 95.6 | Very high | 6 Ų | 6 | 30.2 Ų | 30.2 | 4% | 0.039 | 17% | 0.168 | C | C | . | . | G | 310 helix | trans | -53 | -24.9 | 179.4 | -31.8 | 36.2 | 0 | 0 | 0 | 115.1 | P60 A61 G624 H628 S629 F637 F663 W665 | P60-P626 HydrophobicContact CG-CB 3.83Å; P60-P626 HydrophobicContact CG-CG 4.46Å; A61-P626 HydrophobicContact CB-CB 3.85Å; A61-P626 HydrophobicContact CB-CG 3.8Å; G624-P626 WeakPolarHBondContact O-CD 3.29Å; P626-H628 PolarHBondContact O-N 3.03Å; P626-H628 VanDerWaalsContact O-N 3.14Å; P626-S629 WeakPolarHBondContact O-CB 3.47Å; P626-S629 PolarHBondContact O-N 3.06Å; P626-S629 PolarHBondContact O-OG 2.8Å; P626-F637 HydrophobicContact CB-CE1 4.06Å; P626-F637 HydrophobicContact CB-CZ 3.78Å; P626-F663 HydrophobicContact CG-CE1 4.08Å; P626-F663 HydrophobicContact CG-CZ 4.05Å; P626-W665 VanDerWaalsContact CD-CG 3.48Å; P626-W665 VanDerWaalsContact CD-NE1 3.31Å; P626-W665 HydrophobicContact CG-CB 3.96Å; P626-W665 HydrophobicContact CG-CD2 4.37Å; P626-W665 HydrophobicContact CG-CG 3.74Å |
| 627 | R | 95.6 | Very high | 95.6 | Very high | 59 Ų | 59 | 26.6 Ų | 26.6 | 22% | 0.223 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -61.1 | -16.9 | 174.8 | -67.3 | 173.1 | 65.1 | -170.3 | 3 | 114 | P59 A61 E62 A587 A589 N625 S629 | P59-R627 HydrophobicContact CB-CG 4.18Å; A61-R627 HydrophobicContact CB-CG 4.31Å; A61-R627 VanDerWaalsContact O-CD 3.23Å; A61-R627 WeakPolarHBondContact O-CD 3.38Å; A61-R627 WeakPolarHBondContact O-CG 3.28Å; E62-R627 IonicContact OE2-NH1 3.95Å; E62-R627 PolarHBondContact OE2-NH1 3.47Å; A587-R627 PolarHBondContact O-NH1 2.75Å; A587-R627 PolarHBondContact O-NH2 3Å; A589-R627 HydrophobicContact CB-CB 4.1Å; N625-R627 PolarHBondContact O-N 3.29Å; N625-R627 VanDerWaalsContact OD1-CB 3.3Å; N625-R627 WeakPolarHBondContact OD1-CB 3.24Å; N625-R627 WeakPolarHBondContact OD1-CG 3.28Å; N625-R627 PolarHBondContact OD1-N 3.04Å; R627-S629 VanDerWaalsContact C-N 3.34Å |
| 628 | H | 96.3 | Very high | 95.6 | Very high | 14 Ų | 14 | 26.6 Ų | 26.6 | 7% | 0.065 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -82.4 | -12.4 | 176.2 | -57.3 | -49.4 | 0 | 0 | 0 | 113.3 | A589 A590 D592 N625 P626 G630 H697 K699 I708 | A589-H628 WeakPolarHBondContact CB-CE1 3.41Å; A590-H628 PolarHBondContact O-CE1 3.01Å; A590-H628 PolarHBondContact O-NE2 2.85Å; D592-H628 IonicContact OD1-NE2 3.67Å; D592-H628 IonicContact OD2-CD2 3.44Å; D592-H628 PolarHBondContact OD2-CD2 3.22Å; D592-H628 IonicContact OD2-NE2 3.57Å; D592-H628 PolarHBondContact OD2-NE2 3.04Å; N625-H628 PolarHBondContact O-CD2 3.1Å; N625-H628 VanDerWaalsContact O-CD2 3.27Å; N625-H628 PolarHBondContact O-N 3.34Å; P626-H628 PolarHBondContact O-N 3.03Å; P626-H628 VanDerWaalsContact O-N 3.14Å; H628-G630 PolarHBondContact O-N 2.73Å; H628-H697 HydrophobicContact CB-CB 4.15Å; H628-K699 WeakPolarHBondContact CE1-CB 3.41Å; H628-K699 VanDerWaalsContact CE1-CD 3.42Å; H628-K699 WeakPolarHBondContact CE1-CD 3.34Å; H628-K699 WeakPolarHBondContact NE2-CB 3.34Å; H628-I708 HydrophobicContact CB-CD1 4.33Å; H628-I708 HydrophobicContact CB-CG2 4.16Å; H628-I708 WeakPolarHBondContact O-CG2 3.38Å |
| 629 | S | 94.2 | Very high | 95.6 | Very high | 12 Ų | 12 | 25 Ų | 25 | 8% | 0.084 | 14% | 0.138 | C | C | . | . | G | 310 helix | trans | -77.4 | -3.2 | -175.2 | -51.6 | 0 | 0 | 0 | 0 | 114.1 | P626 R627 I632 H697 | P626-S629 WeakPolarHBondContact O-CB 3.47Å; P626-S629 PolarHBondContact O-N 3.06Å; P626-S629 PolarHBondContact O-OG 2.8Å; R627-S629 VanDerWaalsContact C-N 3.34Å; S629-I632 WeakPolarHBondContact O-CG2 3.28Å; S629-H697 WeakPolarHBondContact CA-ND1 3.41Å; S629-H697 VanDerWaalsContact CB-ND1 3.34Å; S629-H697 WeakPolarHBondContact CB-ND1 3.38Å; S629-H697 PolarHBondContact OG-ND1 3.05Å |
| 630 | G | 89.9 | Confident | 95.6 | Very high | 50 Ų | 50 | 25 Ų | 25 | 52% | 0.515 | 14% | 0.138 | S | C | . | . | trans | 65.2 | -137.8 | 179 | 0 | 0 | 0 | 0 | 0 | 112.7 | H628 I632 | H628-G630 PolarHBondContact O-N 2.73Å; G630-I632 PolarHBondContact O-N 2.88Å | ||
| 631 | D | 90.1 | Very high | 95.6 | Very high | 64 Ų | 64 | 25.4 Ų | 25.4 | 34% | 0.342 | 14% | 0.139 | S | C | . | . | trans | -83.7 | 101.3 | 175.1 | -171.4 | -4.2 | 0 | 0 | 0 | 109.9 | R633 | D631-R633 VanDerWaalsContact CG-NE 3.33Å; D631-R633 WeakPolarHBondContact OD1-CB 3.23Å; D631-R633 WeakPolarHBondContact OD1-CD 3.39Å; D631-R633 WeakPolarHBondContact OD1-CG 3.12Å; D631-R633 IonicContact OD1-CZ 3.3Å; D631-R633 PolarHBondContact OD1-N 2.92Å; D631-R633 IonicContact OD1-NE 3.58Å; D631-R633 PolarHBondContact OD1-NE 3.37Å; D631-R633 IonicContact OD1-NH2 2.69Å; D631-R633 IonicContact OD2-CZ 3.19Å; D631-R633 VanDerWaalsContact OD2-CZ 3.26Å; D631-R633 IonicContact OD2-NE 3.71Å; D631-R633 PolarHBondContact OD2-NE 3.11Å; D631-R633 IonicContact OD2-NH2 2.78Å; D631-R633 PolarHBondContact OD2-NH2 3.34Å | ||
| 632 | I | 89.6 | Confident | 95.6 | Very high | 10 Ų | 10 | 26.5 Ų | 26.5 | 5% | 0.051 | 15% | 0.145 | C | C | . | . | trans | -96.9 | 15.8 | -176.9 | 56.4 | 168.1 | 0 | 0 | 0 | 112.8 | R81 S629 G630 D634 Q635 F637 | R81-I632 PolarHBondContact NH1-O 2.78Å; S629-I632 WeakPolarHBondContact O-CG2 3.28Å; G630-I632 PolarHBondContact O-N 2.88Å; I632-D634 PolarHBondContact O-N 3.15Å; I632-Q635 PolarHBondContact O-N 2.7Å; I632-Q635 VanDerWaalsContact O-N 3.16Å; I632-F637 HydrophobicContact CD1-CD2 4.12Å; I632-F637 HydrophobicContact CD1-CE2 3.15Å; I632-F637 HydrophobicContact CD1-CZ 3.63Å; I632-F637 HydrophobicContact CG2-CZ 4.28Å | ||
| 633 | R | 93.1 | Very high | 95.5 | Very high | 37 Ų | 37 | 29.9 Ų | 29.9 | 14% | 0.14 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | 138.5 | 175.6 | -70.4 | 178.4 | -59 | 137.3 | 7.1 | 109.9 | D55 P165 N168 G169 D631 Q635 | D55-R633 HydrophobicContact CB-CB 4.03Å; D55-R633 HydrophobicContact CB-CG 4.06Å; D55-R633 WeakPolarHBondContact O-CD 3.14Å; D55-R633 WeakPolarHBondContact OD2-CA 3.46Å; P165-R633 HydrophobicContact CB-CG 4.24Å; P165-R633 WeakPolarHBondContact O-CD 3.35Å; N168-R633 VanDerWaalsContact CB-NH2 3.26Å; N168-R633 PolarHBondContact O-NH1 3.01Å; N168-R633 VanDerWaalsContact O-NH1 3.16Å; G169-R633 VanDerWaalsContact N-NH1 3.12Å; D631-R633 VanDerWaalsContact CG-NE 3.33Å; D631-R633 WeakPolarHBondContact OD1-CB 3.23Å; D631-R633 WeakPolarHBondContact OD1-CD 3.39Å; D631-R633 WeakPolarHBondContact OD1-CG 3.12Å; D631-R633 IonicContact OD1-CZ 3.3Å; D631-R633 PolarHBondContact OD1-N 2.92Å; D631-R633 IonicContact OD1-NE 3.58Å; D631-R633 PolarHBondContact OD1-NE 3.37Å; D631-R633 IonicContact OD1-NH2 2.69Å; D631-R633 IonicContact OD2-CZ 3.19Å; D631-R633 VanDerWaalsContact OD2-CZ 3.26Å; D631-R633 IonicContact OD2-NE 3.71Å; D631-R633 PolarHBondContact OD2-NE 3.11Å; D631-R633 IonicContact OD2-NH2 2.78Å; D631-R633 PolarHBondContact OD2-NH2 3.34Å; R633-Q635 PolarHBondContact O-N 2.84Å; R633-Q635 VanDerWaalsContact O-N 3.09Å |
| 634 | D | 87.9 | Confident | 95.4 | Very high | 100 Ų | 100 | 31.5 Ų | 31.5 | 54% | 0.535 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.3 | 12.2 | -177.2 | -41.9 | -61 | 0 | 0 | 0 | 114.5 | K172 I632 | K172-D634 IonicContact NZ-OD1 3.3Å; K172-D634 IonicContact NZ-OD2 2.69Å; K172-D634 PolarHBondContact NZ-OD2 3.23Å; I632-D634 PolarHBondContact O-N 3.15Å |
| 635 | Q | 94.3 | Very high | 95.1 | Very high | 110 Ų | 110 | 37.6 Ų | 37.6 | 51% | 0.514 | 20% | 0.199 | S | C | . | . | trans | -114.2 | 173.1 | 168.3 | -61.5 | 178.7 | 44 | 0 | 0 | 109.4 | R81 I632 R633 | R81-Q635 PolarHBondContact NH2-O 2.73Å; I632-Q635 PolarHBondContact O-N 2.7Å; I632-Q635 VanDerWaalsContact O-N 3.16Å; R633-Q635 PolarHBondContact O-N 2.84Å; R633-Q635 VanDerWaalsContact O-N 3.09Å | ||
| 636 | T | 97.2 | Very high | 94.9 | Very high | 34 Ų | 34 | 48.1 Ų | 48.1 | 21% | 0.209 | 24% | 0.238 | C | C | . | . | trans | -137.6 | 146.1 | -178.5 | -164.6 | 0 | 0 | 0 | 0 | 112.5 | V638 T639 D656 F695 | T636-V638 VanDerWaalsContact C-N 3.34Å; T636-V638 WeakPolarHBondContact CG2-O 3.38Å; T636-V638 PolarHBondContact OG1-N 2.78Å; T636-V638 PolarHBondContact OG1-O 2.95Å; T636-T639 HydrophobicContact CG2-CG2 3.67Å; T636-D656 WeakPolarHBondContact OG1-CB 3.48Å; T636-D656 PolarHBondContact OG1-N 3.43Å; T636-D656 VanDerWaalsContact OG1-N 3.09Å; T636-D656 PolarHBondContact OG1-OD1 2.91Å; T636-D656 PolarHBondContact OG1-OD2 2.91Å; T636-F695 HydrophobicContact CG2-CD2 4.24Å; T636-F695 HydrophobicContact CG2-CE2 4.28Å; T636-F695 WeakPolarHBondContact O-CD2 3.24Å | ||
| 637 | F | 98.3 | Very high | 94.8 | Very high | 7 Ų | 7 | 51 Ų | 51 | 3% | 0.031 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -81.3 | -17.8 | 170.3 | -74.6 | -75.9 | 0 | 0 | 0 | 112.6 | P60 I78 P626 I632 D656 F663 H694 F695 | P60-F637 HydrophobicContact CG-CD2 4.42Å; P60-F637 HydrophobicContact CG-CE2 3.65Å; P60-F637 HydrophobicContact CG-CZ 4.16Å; I78-F637 HydrophobicContact CD1-CD2 3.81Å; I78-F637 HydrophobicContact CD1-CE2 4.03Å; P626-F637 HydrophobicContact CB-CE1 4.06Å; P626-F637 HydrophobicContact CB-CZ 3.78Å; I632-F637 HydrophobicContact CD1-CD2 4.12Å; I632-F637 HydrophobicContact CD1-CE2 3.15Å; I632-F637 HydrophobicContact CD1-CZ 3.63Å; I632-F637 HydrophobicContact CG2-CZ 4.28Å; F637-D656 PolarHBondContact N-OD2 2.89Å; F637-F663 HydrophobicContact CB-CD1 4.15Å; F637-F663 HydrophobicContact CB-CD2 4.18Å; F637-F663 HydrophobicContact CB-CE1 4.19Å; F637-F663 HydrophobicContact CB-CE2 4.2Å; F637-F663 HydrophobicContact CB-CG 4.15Å; F637-F663 HydrophobicContact CB-CZ 4.21Å; F637-F663 HydrophobicContact CD1-CE1 4.19Å; F637-F663 HydrophobicContact CD1-CZ 4.02Å; F637-F663 HydrophobicContact CD2-CD1 4.25Å; F637-F663 HydrophobicContact CD2-CE1 4.05Å; F637-F663 HydrophobicContact CE2-CE1 4.46Å; F637-F663 HydrophobicContact CG-CD1 4.23Å; F637-F663 AromaticContact CG-CE1 3.9Å; F637-F663 HydrophobicContact CG-CE1 3.9Å; F637-F663 HydrophobicContact CG-CZ 4.07Å; F637-H694 WeakPolarHBondContact O-CA 3.49Å; F637-H694 PolarHBondContact O-ND1 2.86Å; F637-F695 VanDerWaalsContact CD1-O 3.26Å; F637-F695 WeakPolarHBondContact CD1-O 3.22Å; F637-F695 PolarHBondContact O-N 2.03Å |
| 638 | V | 97.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 138 | -169.8 | 173.4 | 0 | 0 | 0 | 0 | 110.2 | T636 N655 D656 F663 V677 R693 | T636-V638 VanDerWaalsContact C-N 3.34Å; T636-V638 WeakPolarHBondContact CG2-O 3.38Å; T636-V638 PolarHBondContact OG1-N 2.78Å; T636-V638 PolarHBondContact OG1-O 2.95Å; V638-N655 VanDerWaalsContact O-CA 3.3Å; V638-N655 WeakPolarHBondContact O-CA 3.45Å; V638-D656 HydrophobicContact CB-CB 4.2Å; V638-D656 PolarHBondContact O-N 2.86Å; V638-F663 HydrophobicContact CG2-CB 3.88Å; V638-F663 HydrophobicContact CG2-CD2 3.88Å; V638-F663 HydrophobicContact CG2-CG 4.19Å; V638-V677 HydrophobicContact CB-CG1 4.31Å; V638-V677 HydrophobicContact CG1-CG1 3.42Å; V638-V677 VanDerWaalsContact CG1-CG1 3.42Å; V638-V677 HydrophobicContact CG1-CG2 4.44Å; V638-V677 HydrophobicContact CG2-CB 4.35Å; V638-V677 HydrophobicContact CG2-CG1 3.88Å; V638-V677 HydrophobicContact CG2-CG2 3.52Å; V638-R693 WeakPolarHBondContact CA-O 3.26Å |
| 639 | T | 98.7 | Very high | 94.8 | Very high | 9 Ų | 9 | 59.2 Ų | 59.2 | 6% | 0.055 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 143.3 | 160.3 | 50.3 | 0 | 0 | 0 | 0 | 110.3 | T636 V652 Y654 I692 R693 F695 | T636-T639 HydrophobicContact CG2-CG2 3.67Å; T639-V652 HydrophobicContact CG2-CG1 3.72Å; T639-V652 HydrophobicContact CG2-CG2 4Å; T639-Y654 CarbonylContact C-O 3.51Å; T639-Y654 VanDerWaalsContact CA-O 3.31Å; T639-Y654 WeakPolarHBondContact CA-O 3.29Å; T639-I692 WeakPolarHBondContact O-CA 3.31Å; T639-R693 PolarHBondContact N-O 3.06Å; T639-R693 PolarHBondContact O-N 3.16Å; T639-F695 HydrophobicContact CG2-CE2 3.88Å; T639-F695 WeakPolarHBondContact OG1-CE2 3.32Å |
| 640 | V | 98.8 | Very high | 95 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 124.4 | 160.7 | -175.7 | 0 | 0 | 0 | 0 | 106.1 | V653 Y654 T661 W679 Y690 I692 | V640-V653 HydrophobicContact CB-CG2 4.42Å; V640-V653 HydrophobicContact CG1-CG2 4.24Å; V640-V653 VanDerWaalsContact O-CG2 3.27Å; V640-V653 WeakPolarHBondContact O-CG2 3.3Å; V640-V653 PolarHBondContact O-N 2.77Å; V640-Y654 HydrophobicContact CB-CD2 3.96Å; V640-Y654 HydrophobicContact CB-CG 4.42Å; V640-Y654 HydrophobicContact CG1-CD2 4.14Å; V640-Y654 HydrophobicContact CG2-CD2 4.38Å; V640-Y654 PolarHBondContact N-O 3.03Å; V640-Y654 PolarHBondContact O-N 3Å; V640-T661 HydrophobicContact CG2-CG2 3.97Å; V640-W679 HydrophobicContact CG1-CD2 3.77Å; V640-W679 HydrophobicContact CG1-CE3 3.62Å; V640-W679 HydrophobicContact CG1-CG 4.42Å; V640-W679 HydrophobicContact CG1-CH2 4.07Å; V640-W679 HydrophobicContact CG1-CZ2 4.21Å; V640-W679 HydrophobicContact CG1-CZ3 3.76Å; V640-W679 HydrophobicContact CG2-CB 4.07Å; V640-W679 HydrophobicContact CG2-CD2 4.1Å; V640-W679 HydrophobicContact CG2-CG 3.85Å; V640-Y690 HydrophobicContact CG1-CD1 3.99Å; V640-I692 HydrophobicContact CG2-CG1 4.28Å |
| 641 | E | 98.7 | Very high | 95.3 | Very high | 10 Ų | 10 | 64.2 Ų | 64.2 | 5% | 0.047 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 138.6 | -175.9 | -60.8 | 177.6 | 175.5 | 0 | 0 | 109.8 | W650 E651 V652 Y690 R691 R693 | E641-W650 HydrophobicContact CB-CB 4.24Å; E641-W650 HydrophobicContact CB-CD2 4.47Å; E641-W650 HydrophobicContact CB-CE3 3.75Å; E641-W650 WeakPolarHBondContact O-CZ3 3.36Å; E641-W650 WeakPolarHBondContact OE2-CB 3.22Å; E641-E651 CarbonylContact C-O 3.57Å; E641-E651 WeakPolarHBondContact CA-O 3.31Å; E641-V652 HydrophobicContact CG-CG2 4.01Å; E641-Y690 CarbonylContact O-C 3.6Å; E641-Y690 WeakPolarHBondContact O-CA 3.44Å; E641-Y690 WeakPolarHBondContact O-CD1 3.27Å; E641-R691 HydrophobicContact CB-CG 4.13Å; E641-R691 PolarHBondContact N-O 2.91Å; E641-R691 PolarHBondContact O-N 2.65Å; E641-R691 IonicContact OE2-CZ 3.43Å; E641-R691 IonicContact OE2-NE 3.88Å; E641-R691 PolarHBondContact OE2-NE 3Å; E641-R691 IonicContact OE2-NH2 2.6Å; E641-R691 PolarHBondContact OE2-NH2 3.3Å; E641-R693 VanDerWaalsContact CD-CD 3.5Å; E641-R693 WeakPolarHBondContact OE1-CD 3.46Å; E641-R693 IonicContact OE1-NH1 3.37Å; E641-R693 PolarHBondContact OE1-NH1 3.27Å; E641-R693 WeakPolarHBondContact OE2-CD 3.39Å |
| 642 | I | 98.2 | Very high | 95.7 | Very high | 24 Ų | 24 | 63.8 Ų | 63.8 | 12% | 0.123 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 142.1 | 171.1 | -165.4 | 179 | 0 | 0 | 0 | 109.5 | W650 E651 V653 P686 S689 Y690 | I642-W650 WeakPolarHBondContact O-CA 3.4Å; I642-E651 HydrophobicContact CG2-CB 4.13Å; I642-E651 PolarHBondContact N-O 3.26Å; I642-E651 PolarHBondContact O-N 3.14Å; I642-V653 HydrophobicContact CB-CG1 4.2Å; I642-V653 HydrophobicContact CB-CG2 4.47Å; I642-V653 HydrophobicContact CG2-CG1 3.54Å; I642-P686 HydrophobicContact CD1-CB 4.11Å; I642-S689 WeakPolarHBondContact CA-O 3.36Å; I642-Y690 HydrophobicContact CB-CD1 3.96Å; I642-Y690 HydrophobicContact CB-CE1 3.61Å; I642-Y690 HydrophobicContact CD1-CE1 4.04Å; I642-Y690 HydrophobicContact CD1-CE2 4.2Å; I642-Y690 WeakPolarHBondContact CD1-OH 3.45Å; I642-Y690 HydrophobicContact CG1-CD1 4.21Å; I642-Y690 HydrophobicContact CG1-CE1 3.76Å; I642-Y690 HydrophobicContact CG1-CE2 4.13Å |
| 643 | Y | 98.2 | Very high | 96.1 | Very high | 72 Ų | 72 | 65.5 Ų | 65.5 | 28% | 0.282 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 121.2 | 174.6 | -171 | -108 | 0 | 0 | 0 | 111.1 | N645 E648 W650 S689 | Y643-N645 WeakPolarHBondContact CD1-OD1 3.37Å; Y643-N645 WeakPolarHBondContact CE1-OD1 3.46Å; Y643-E648 WeakPolarHBondContact OH-CA 3.38Å; Y643-W650 AromaticContact CD2-CD2 4Å; Y643-W650 HydrophobicContact CD2-CD2 4Å; Y643-W650 AromaticContact CD2-CE2 3.7Å; Y643-W650 HydrophobicContact CD2-CG 4.24Å; Y643-W650 HydrophobicContact CD2-CZ2 4.09Å; Y643-W650 AromaticContact CD2-NE1 3.74Å; Y643-W650 HydrophobicContact CG-CZ2 4.4Å; Y643-S689 PolarHBondContact N-O 3.15Å |
| 644 | D | 95.1 | Very high | 96.3 | Very high | 35 Ų | 35 | 65.3 Ų | 65.3 | 19% | 0.187 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 107.4 | 171.9 | 176.9 | 16.9 | 0 | 0 | 0 | 110.6 | R646 T647 E648 N649 | D644-R646 PolarHBondContact O-N 2.96Å; D644-R646 VanDerWaalsContact O-N 3.14Å; D644-R646 VanDerWaalsContact OD1-CB 3.28Å; D644-R646 WeakPolarHBondContact OD1-CB 3.29Å; D644-R646 PolarHBondContact OD1-N 2.87Å; D644-T647 WeakPolarHBondContact CB-OG1 3.46Å; D644-T647 PolarHBondContact O-N 2.89Å; D644-T647 VanDerWaalsContact OD2-CG2 3.24Å; D644-T647 WeakPolarHBondContact OD2-CG2 3.2Å; D644-T647 PolarHBondContact OD2-N 3.16Å; D644-T647 PolarHBondContact OD2-OG1 2.95Å; D644-E648 WeakPolarHBondContact O-CA 3.28Å; D644-E648 PolarHBondContact O-N 2.6Å; D644-N649 PolarHBondContact N-O 3.4Å |
| 645 | N | 91.6 | Very high | 96.8 | Very high | 131 Ų | 131 | 61.3 Ų | 61.3 | 70% | 0.701 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -20 | 177.1 | -72 | -44.9 | 0 | 0 | 0 | 113.9 | Y643 | Y643-N645 WeakPolarHBondContact CD1-OD1 3.37Å; Y643-N645 WeakPolarHBondContact CE1-OD1 3.46Å |
| 646 | R | 93.2 | Very high | 97 | Very high | 226 Ų | 226 | 56.2 Ų | 56.2 | 85% | 0.853 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -36.3 | 179.6 | -64.5 | 163 | 39.4 | 123.7 | 2.3 | 112.2 | D644 | D644-R646 PolarHBondContact O-N 2.96Å; D644-R646 VanDerWaalsContact O-N 3.14Å; D644-R646 VanDerWaalsContact OD1-CB 3.28Å; D644-R646 WeakPolarHBondContact OD1-CB 3.29Å; D644-R646 PolarHBondContact OD1-N 2.87Å |
| 647 | T | 94.4 | Very high | 97 | Very high | 66 Ų | 66 | 54.7 Ų | 54.7 | 41% | 0.405 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103 | -8.3 | -177.2 | 57.3 | 0 | 0 | 0 | 0 | 112.9 | D644 N649 | D644-T647 WeakPolarHBondContact CB-OG1 3.46Å; D644-T647 PolarHBondContact O-N 2.89Å; D644-T647 VanDerWaalsContact OD2-CG2 3.24Å; D644-T647 WeakPolarHBondContact OD2-CG2 3.2Å; D644-T647 PolarHBondContact OD2-N 3.16Å; D644-T647 PolarHBondContact OD2-OG1 2.95Å; T647-N649 PolarHBondContact O-N 2.92Å; T647-N649 PolarHBondContact O-ND2 2.86Å |
| 648 | E | 94.6 | Very high | 97 | Very high | 146 Ų | 146 | 54.3 Ų | 54.3 | 68% | 0.682 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 31.2 | -174.6 | -58.5 | -176 | 161.3 | 0 | 0 | 112.7 | Y643 D644 | Y643-E648 WeakPolarHBondContact OH-CA 3.38Å; D644-E648 WeakPolarHBondContact O-CA 3.28Å; D644-E648 PolarHBondContact O-N 2.6Å |
| 649 | N | 96.9 | Very high | 97 | Very high | 100 Ų | 100 | 55.5 Ų | 55.5 | 54% | 0.535 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 159.1 | -175.6 | -72 | -47.7 | 0 | 0 | 0 | 112.4 | D644 T647 | D644-N649 PolarHBondContact N-O 3.4Å; T647-N649 PolarHBondContact O-N 2.92Å; T647-N649 PolarHBondContact O-ND2 2.86Å |
| 650 | W | 97.9 | Very high | 97 | Very high | 68 Ų | 68 | 56.8 Ų | 56.8 | 26% | 0.258 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 128.1 | 171.3 | -71 | 92.7 | 0 | 0 | 0 | 110.2 | E641 I642 Y643 R691 V717 | E641-W650 HydrophobicContact CB-CB 4.24Å; E641-W650 HydrophobicContact CB-CD2 4.47Å; E641-W650 HydrophobicContact CB-CE3 3.75Å; E641-W650 WeakPolarHBondContact O-CZ3 3.36Å; E641-W650 WeakPolarHBondContact OE2-CB 3.22Å; I642-W650 WeakPolarHBondContact O-CA 3.4Å; Y643-W650 AromaticContact CD2-CD2 4Å; Y643-W650 HydrophobicContact CD2-CD2 4Å; Y643-W650 AromaticContact CD2-CE2 3.7Å; Y643-W650 HydrophobicContact CD2-CG 4.24Å; Y643-W650 HydrophobicContact CD2-CZ2 4.09Å; Y643-W650 AromaticContact CD2-NE1 3.74Å; Y643-W650 HydrophobicContact CG-CZ2 4.4Å; W650-R691 HydrophobicContact CD2-CG 4.17Å; W650-R691 HydrophobicContact CE3-CG 3.77Å; W650-R691 HydrophobicContact CH2-CB 3.97Å; W650-R691 HydrophobicContact CH2-CG 3.88Å; W650-R691 HydrophobicContact CZ2-CG 4.28Å; W650-R691 HydrophobicContact CZ3-CB 4Å; W650-R691 HydrophobicContact CZ3-CG 3.62Å; W650-V717 HydrophobicContact CH2-CB 4.46Å; W650-V717 HydrophobicContact CH2-CG1 4.02Å; W650-V717 HydrophobicContact CH2-CG2 3.73Å; W650-V717 HydrophobicContact CZ2-CG2 3.67Å |
| 651 | E | 97.4 | Very high | 97 | Very high | 100 Ų | 100 | 56.8 Ų | 56.8 | 47% | 0.467 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 131.3 | 177.1 | -63.6 | -172.5 | 161.9 | 0 | 0 | 110.1 | E641 I642 V653 | E641-E651 CarbonylContact C-O 3.57Å; E641-E651 WeakPolarHBondContact CA-O 3.31Å; I642-E651 HydrophobicContact CG2-CB 4.13Å; I642-E651 PolarHBondContact N-O 3.26Å; I642-E651 PolarHBondContact O-N 3.14Å; E651-V653 PolarHBondContact O-N 3.14Å |
| 652 | V | 97.9 | Very high | 97 | Very high | 55 Ų | 55 | 58 Ų | 58 | 33% | 0.333 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 124 | 176 | -179.4 | 0 | 0 | 0 | 0 | 108.7 | L278 T639 E641 Y654 | L278-V652 HydrophobicContact CD1-CB 4.1Å; L278-V652 HydrophobicContact CD1-CG1 3.69Å; L278-V652 HydrophobicContact CD2-CG1 4.15Å; T639-V652 HydrophobicContact CG2-CG1 3.72Å; T639-V652 HydrophobicContact CG2-CG2 4Å; E641-V652 HydrophobicContact CG-CG2 4.01Å; V652-Y654 WeakPolarHBondContact CG1-O 3.34Å |
| 653 | V | 97.4 | Very high | 97 | Very high | 45 Ų | 45 | 57 Ų | 57 | 27% | 0.273 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | -21.8 | 178 | -70.6 | 0 | 0 | 0 | 0 | 113.2 | V640 I642 E651 Y690 | V640-V653 HydrophobicContact CB-CG2 4.42Å; V640-V653 HydrophobicContact CG1-CG2 4.24Å; V640-V653 VanDerWaalsContact O-CG2 3.27Å; V640-V653 WeakPolarHBondContact O-CG2 3.3Å; V640-V653 PolarHBondContact O-N 2.77Å; I642-V653 HydrophobicContact CB-CG1 4.2Å; I642-V653 HydrophobicContact CB-CG2 4.47Å; I642-V653 HydrophobicContact CG2-CG1 3.54Å; E651-V653 PolarHBondContact O-N 3.14Å; V653-Y690 HydrophobicContact CG2-CD1 4.46Å; V653-Y690 HydrophobicContact CG2-CE1 4Å |
| 654 | Y | 98.4 | Very high | 97 | Very high | 34 Ų | 34 | 55.7 Ų | 55.7 | 13% | 0.133 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 151.2 | 171.6 | -55.3 | -82.5 | 0 | 0 | 0 | 110.4 | T639 V640 V652 S658 E660 W679 P682 | T639-Y654 CarbonylContact C-O 3.51Å; T639-Y654 VanDerWaalsContact CA-O 3.31Å; T639-Y654 WeakPolarHBondContact CA-O 3.29Å; V640-Y654 HydrophobicContact CB-CD2 3.96Å; V640-Y654 HydrophobicContact CB-CG 4.42Å; V640-Y654 HydrophobicContact CG1-CD2 4.14Å; V640-Y654 HydrophobicContact CG2-CD2 4.38Å; V640-Y654 PolarHBondContact N-O 3.03Å; V640-Y654 PolarHBondContact O-N 3Å; V652-Y654 WeakPolarHBondContact CG1-O 3.34Å; Y654-S658 WeakPolarHBondContact CA-OG 3.47Å; Y654-E660 HydrophobicContact CD1-CB 4.26Å; Y654-E660 HydrophobicContact CD1-CG 4.46Å; Y654-E660 HydrophobicContact CE1-CB 4.27Å; Y654-E660 HydrophobicContact CE1-CG 4.03Å; Y654-W679 AromaticContact CD2-CE2 3.83Å; Y654-W679 AromaticContact CD2-CZ2 4Å; Y654-W679 HydrophobicContact CD2-CZ2 4Å; Y654-W679 AromaticContact CD2-NE1 3.48Å; Y654-W679 AromaticContact CE2-CE2 3.74Å; Y654-W679 AromaticContact CE2-CZ2 3.56Å; Y654-W679 HydrophobicContact CE2-CZ2 3.56Å; Y654-W679 AromaticContact CE2-NE1 3.49Å; Y654-P682 WeakPolarHBondContact OH-CG 3.33Å |
| 655 | N | 98.3 | Very high | 97.2 | Very high | 15 Ų | 15 | 54.3 Ų | 54.3 | 8% | 0.08 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 178.4 | 176.9 | 63.9 | 10.1 | 0 | 0 | 0 | 110.3 | P279 V638 A657 S658 T661 | P279-N655 PolarHBondContact O-ND2 2.79Å; P279-N655 VanDerWaalsContact O-ND2 3.12Å; V638-N655 VanDerWaalsContact O-CA 3.3Å; V638-N655 WeakPolarHBondContact O-CA 3.45Å; N655-A657 PolarHBondContact O-N 3.44Å; N655-A657 WeakPolarHBondContact OD1-CA 2.95Å; N655-A657 WeakPolarHBondContact OD1-CB 3.45Å; N655-A657 PolarHBondContact OD1-N 2.88Å; N655-S658 PolarHBondContact N-OG 3.26Å; N655-S658 WeakPolarHBondContact O-CB 3.44Å; N655-S658 PolarHBondContact O-N 3.48Å; N655-S658 PolarHBondContact O-OG 3.03Å; N655-S658 VanDerWaalsContact O-OG 3.12Å; N655-S658 PolarHBondContact OD1-N 2.97Å; N655-S658 VanDerWaalsContact OD1-N 3.08Å; N655-S658 PolarHBondContact OD1-OG 3.15Å; N655-T661 PolarHBondContact O-OG1 2.71Å |
| 656 | D | 97.9 | Very high | 97.3 | Very high | 3 Ų | 3 | 52.3 Ų | 52.3 | 2% | 0.016 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | 2.4 | 176.2 | 70.8 | -3.5 | 0 | 0 | 0 | 115.9 | I78 R81 T636 F637 V638 | I78-D656 VanDerWaalsContact CG2-O 3.3Å; I78-D656 WeakPolarHBondContact CG2-O 3.42Å; R81-D656 IonicContact CZ-OD1 2.8Å; R81-D656 IonicContact CZ-OD2 3.92Å; R81-D656 IonicContact NE-OD1 3.04Å; R81-D656 PolarHBondContact NE-OD1 2.83Å; R81-D656 VanDerWaalsContact NE-OD1 3.09Å; R81-D656 IonicContact NE-OD2 2.79Å; R81-D656 PolarHBondContact NE-OD2 3.43Å; R81-D656 IonicContact NH2-OD1 2.79Å; R81-D656 IonicContact NH2-OD2 3.33Å; R81-D656 PolarHBondContact NH2-OD2 2.9Å; T636-D656 WeakPolarHBondContact OG1-CB 3.48Å; T636-D656 PolarHBondContact OG1-N 3.43Å; T636-D656 VanDerWaalsContact OG1-N 3.09Å; T636-D656 PolarHBondContact OG1-OD1 2.91Å; T636-D656 PolarHBondContact OG1-OD2 2.91Å; F637-D656 PolarHBondContact N-OD2 2.89Å; V638-D656 HydrophobicContact CB-CB 4.2Å; V638-D656 PolarHBondContact O-N 2.86Å |
| 657 | A | 98.1 | Very high | 97.3 | Very high | 2 Ų | 2 | 48.2 Ų | 48.2 | 2% | 0.017 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | -12.8 | 167.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | R81 Y83 P279 N655 | R81-A657 HydrophobicContact CB-CB 3.91Å; R81-A657 HydrophobicContact CG-CB 3.72Å; Y83-A657 WeakPolarHBondContact OH-CB 3.48Å; P279-A657 HydrophobicContact CB-CB 3.96Å; N655-A657 PolarHBondContact O-N 3.44Å; N655-A657 WeakPolarHBondContact OD1-CA 2.95Å; N655-A657 WeakPolarHBondContact OD1-CB 3.45Å; N655-A657 PolarHBondContact OD1-N 2.88Å |
| 658 | S | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -74.6 | 129.6 | 179.7 | -52.8 | 0 | 0 | 0 | 0 | 110.6 | P279 Y654 N655 E660 T661 | P279-S658 WeakPolarHBondContact CG-OG 3.37Å; Y654-S658 WeakPolarHBondContact CA-OG 3.47Å; N655-S658 PolarHBondContact N-OG 3.26Å; N655-S658 WeakPolarHBondContact O-CB 3.44Å; N655-S658 PolarHBondContact O-N 3.48Å; N655-S658 PolarHBondContact O-OG 3.03Å; N655-S658 VanDerWaalsContact O-OG 3.12Å; N655-S658 PolarHBondContact OD1-N 2.97Å; N655-S658 VanDerWaalsContact OD1-N 3.08Å; N655-S658 PolarHBondContact OD1-OG 3.15Å; S658-E660 PolarHBondContact O-N 3.28Å; S658-E660 VanDerWaalsContact O-N 3.11Å; S658-T661 PolarHBondContact O-N 2.71Å; S658-T661 PolarHBondContact O-OG1 2.89Å |
| 659 | W | 97.9 | Very high | 96.6 | Very high | 24 Ų | 24 | 44.4 Ų | 44.4 | 9% | 0.091 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -29.3 | -177 | -176.2 | -94.7 | 0 | 0 | 0 | 113.4 | H79 T80 Y264 Y267 F337 T340 R341 T661 | H79-W659 AromaticContact CE1-CD2 3.62Å; H79-W659 AromaticContact CE1-CE2 3.68Å; H79-W659 AromaticContact CE1-CE3 3.39Å; H79-W659 AromaticContact CE1-CH2 3.38Å; H79-W659 WeakPolarHBondContact CE1-CH2 3.29Å; H79-W659 AromaticContact CE1-CZ2 3.57Å; H79-W659 AromaticContact CE1-CZ3 3.28Å; H79-W659 WeakPolarHBondContact CE1-CZ3 3.11Å; H79-W659 AromaticContact ND1-CZ3 3.97Å; H79-W659 AromaticContact NE2-CD2 3.62Å; H79-W659 AromaticContact NE2-CE2 3.87Å; H79-W659 AromaticContact NE2-CE3 3.69Å; H79-W659 PolarHBondContact NE2-O 2.99Å; T80-W659 HydrophobicContact CG2-CE3 3.68Å; T80-W659 HydrophobicContact CG2-CZ3 4.2Å; Y264-W659 HydrophobicContact CD2-CB 4.4Å; Y264-W659 AromaticContact CD2-CD2 3.36Å; Y264-W659 HydrophobicContact CD2-CD2 3.36Å; Y264-W659 AromaticContact CD2-CE2 3.9Å; Y264-W659 AromaticContact CD2-CE3 3.17Å; Y264-W659 HydrophobicContact CD2-CE3 3.17Å; Y264-W659 AromaticContact CD2-CG 3.93Å; Y264-W659 HydrophobicContact CD2-CG 3.93Å; Y264-W659 HydrophobicContact CD2-CH2 4.03Å; Y264-W659 HydrophobicContact CD2-CZ2 4.22Å; Y264-W659 AromaticContact CD2-CZ3 3.53Å; Y264-W659 HydrophobicContact CD2-CZ3 3.53Å; Y264-W659 HydrophobicContact CE2-CB 3.91Å; Y264-W659 AromaticContact CE2-CD1 3.88Å; Y264-W659 AromaticContact CE2-CD2 3.33Å; Y264-W659 HydrophobicContact CE2-CD2 3.33Å; Y264-W659 AromaticContact CE2-CE2 3.75Å; Y264-W659 AromaticContact CE2-CE3 3.69Å; Y264-W659 HydrophobicContact CE2-CE3 3.69Å; Y264-W659 AromaticContact CE2-CG 3.43Å; Y264-W659 HydrophobicContact CE2-CG 3.43Å; Y264-W659 VanDerWaalsContact CE2-CG 3.43Å; Y264-W659 HydrophobicContact CE2-CZ2 4.41Å; Y264-W659 HydrophobicContact CE2-CZ3 4.34Å; Y264-W659 HydrophobicContact CG-CD2 4.3Å; Y264-W659 AromaticContact CG-CE3 3.96Å; Y264-W659 HydrophobicContact CG-CE3 3.96Å; Y264-W659 HydrophobicContact CG-CH2 4.05Å; Y264-W659 HydrophobicContact CG-CZ2 4.41Å; Y264-W659 AromaticContact CG-CZ3 3.83Å; Y264-W659 HydrophobicContact CG-CZ3 3.83Å; Y267-W659 HydrophobicContact CE1-CB 3.94Å; Y267-W659 PolarHBondContact OH-N 3.43Å; F337-W659 WeakPolarHBondContact O-CZ2 2.98Å; T340-W659 HydrophobicContact CG2-CH2 3.56Å; T340-W659 HydrophobicContact CG2-CZ3 4.33Å; R341-W659 HydrophobicContact CB-CZ2 3.88Å; W659-T661 VanDerWaalsContact C-N 3.26Å; W659-T661 PolarHBondContact O-N 2.98Å |
| 660 | E | 98.1 | Very high | 96.2 | Very high | 36 Ų | 36 | 44.1 Ų | 44.1 | 17% | 0.168 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -17.5 | -179.8 | -62.7 | 71.4 | -155.3 | 0 | 0 | 112.7 | Y267 Y654 S658 F680 P682 | Y267-E660 PolarHBondContact OH-OE2 3.34Å; Y654-E660 HydrophobicContact CD1-CB 4.26Å; Y654-E660 HydrophobicContact CD1-CG 4.46Å; Y654-E660 HydrophobicContact CE1-CB 4.27Å; Y654-E660 HydrophobicContact CE1-CG 4.03Å; S658-E660 PolarHBondContact O-N 3.28Å; S658-E660 VanDerWaalsContact O-N 3.11Å; E660-F680 WeakPolarHBondContact O-CD2 3.48Å; E660-F680 PolarHBondContact O-N 3.43Å; E660-P682 HydrophobicContact CG-CB 4.49Å; E660-P682 HydrophobicContact CG-CG 4.21Å |
| 661 | T | 98.6 | Very high | 95.8 | Very high | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.006 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 149.4 | -179.9 | 70.6 | 0 | 0 | 0 | 0 | 111.6 | V640 N655 S658 W659 E678 | V640-T661 HydrophobicContact CG2-CG2 3.97Å; N655-T661 PolarHBondContact O-OG1 2.71Å; S658-T661 PolarHBondContact O-N 2.71Å; S658-T661 PolarHBondContact O-OG1 2.89Å; W659-T661 VanDerWaalsContact C-N 3.26Å; W659-T661 PolarHBondContact O-N 2.98Å; T661-E678 CarbonylContact C-O 3.56Å; T661-E678 VanDerWaalsContact CA-O 3.3Å; T661-E678 WeakPolarHBondContact CA-O 3.47Å |
| 662 | R | 98.6 | Very high | 95.6 | Very high | 36 Ų | 36 | 43 Ų | 43 | 14% | 0.136 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 123.8 | 168.9 | -57.7 | -179.7 | -177.1 | 165.2 | 0.2 | 109.4 | M256 H664 V677 E678 F680 | M256-R662 HydrophobicContact CE-CB 4.47Å; M256-R662 HydrophobicContact CE-CG 4.24Å; M256-R662 HydrophobicContact SD-CB 4.12Å; M256-R662 HydrophobicContact SD-CG 4.48Å; R662-H664 WeakPolarHBondContact CB-NE2 3.39Å; R662-V677 WeakPolarHBondContact O-CA 3.41Å; R662-E678 HydrophobicContact CB-CB 4.25Å; R662-E678 PolarHBondContact N-O 3.33Å; R662-E678 IonicContact NH1-OE2 2.73Å; R662-E678 PolarHBondContact O-N 3.08Å; R662-F680 HydrophobicContact CG-CE2 4.05Å; R662-F680 VanDerWaalsContact CZ-CE2 3.5Å |
| 663 | F | 98.5 | Very high | 95.6 | Very high | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.009 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 111.4 | 173.2 | 168.8 | -114.1 | 0 | 0 | 0 | 108.7 | P60 G77 I78 P626 F637 V638 W665 A675 V677 H694 | P60-F663 HydrophobicContact CG-CE1 4.36Å; G77-F663 CarbonylContact C-O 3.46Å; G77-F663 WeakPolarHBondContact CA-O 3.42Å; I78-F663 HydrophobicContact CB-CB 4.44Å; I78-F663 HydrophobicContact CB-CD1 4.34Å; I78-F663 HydrophobicContact CG1-CD1 4.25Å; I78-F663 PolarHBondContact N-O 3.31Å; I78-F663 PolarHBondContact O-N 2.86Å; P626-F663 HydrophobicContact CG-CE1 4.08Å; P626-F663 HydrophobicContact CG-CZ 4.05Å; F637-F663 HydrophobicContact CB-CD1 4.15Å; F637-F663 HydrophobicContact CB-CD2 4.18Å; F637-F663 HydrophobicContact CB-CE1 4.19Å; F637-F663 HydrophobicContact CB-CE2 4.2Å; F637-F663 HydrophobicContact CB-CG 4.15Å; F637-F663 HydrophobicContact CB-CZ 4.21Å; F637-F663 HydrophobicContact CD1-CE1 4.19Å; F637-F663 HydrophobicContact CD1-CZ 4.02Å; F637-F663 HydrophobicContact CD2-CD1 4.25Å; F637-F663 HydrophobicContact CD2-CE1 4.05Å; F637-F663 HydrophobicContact CE2-CE1 4.46Å; F637-F663 HydrophobicContact CG-CD1 4.23Å; F637-F663 AromaticContact CG-CE1 3.9Å; F637-F663 HydrophobicContact CG-CE1 3.9Å; F637-F663 HydrophobicContact CG-CZ 4.07Å; V638-F663 HydrophobicContact CG2-CB 3.88Å; V638-F663 HydrophobicContact CG2-CD2 3.88Å; V638-F663 HydrophobicContact CG2-CG 4.19Å; F663-W665 HydrophobicContact CE1-CB 4.4Å; F663-W665 HydrophobicContact CZ-CB 4.29Å; F663-A675 HydrophobicContact CE2-CB 3.73Å; F663-V677 HydrophobicContact CD2-CG2 4.41Å; F663-H694 AromaticContact CE2-CE1 3.49Å; F663-H694 VanDerWaalsContact CE2-CE1 3.49Å; F663-H694 WeakPolarHBondContact CE2-CE1 3.36Å; F663-H694 AromaticContact CE2-ND1 3.87Å |
| 664 | H | 98.4 | Very high | 95.6 | Very high | 45 Ų | 45 | 40.9 Ų | 40.9 | 21% | 0.208 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 127.7 | 174.9 | -62.1 | -91.8 | 0 | 0 | 0 | 110 | M256 R662 A675 T676 E678 | M256-H664 VanDerWaalsContact SD-CE1 3.57Å; R662-H664 WeakPolarHBondContact CB-NE2 3.39Å; H664-A675 CarbonylContact O-C 3.57Å; H664-A675 VanDerWaalsContact O-CA 3.3Å; H664-A675 WeakPolarHBondContact O-CA 3.33Å; H664-T676 WeakPolarHBondContact CB-O 3.5Å; H664-T676 PolarHBondContact N-O 2.77Å; H664-T676 PolarHBondContact O-N 3.34Å; H664-E678 IonicContact NE2-OE2 3.96Å |
| 665 | W | 97.9 | Very high | 95.5 | Very high | 6 Ų | 6 | 39.3 Ų | 39.3 | 2% | 0.023 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 119.3 | 167.3 | 177.4 | 74.9 | 0 | 0 | 0 | 110.3 | A61 E62 A76 G624 N625 P626 F663 K667 N673 | A61-W665 HydrophobicContact CB-CD2 3.94Å; A61-W665 HydrophobicContact CB-CE3 3.65Å; A61-W665 HydrophobicContact CB-CG 4.47Å; A61-W665 HydrophobicContact CB-CZ3 3.97Å; E62-W665 HydrophobicContact CG-CH2 3.58Å; E62-W665 HydrophobicContact CG-CZ3 3.47Å; E62-W665 VanDerWaalsContact CG-CZ3 3.47Å; A76-W665 PolarHBondContact O-N 3.12Å; G624-W665 PolarHBondContact O-NE1 2.89Å; N625-W665 HydrophobicContact CB-CZ2 4.01Å; P626-W665 VanDerWaalsContact CD-CG 3.48Å; P626-W665 VanDerWaalsContact CD-NE1 3.31Å; P626-W665 HydrophobicContact CG-CB 3.96Å; P626-W665 HydrophobicContact CG-CD2 4.37Å; P626-W665 HydrophobicContact CG-CG 3.74Å; F663-W665 HydrophobicContact CE1-CB 4.4Å; F663-W665 HydrophobicContact CZ-CB 4.29Å; W665-K667 HydrophobicContact CH2-CB 3.63Å; W665-K667 HydrophobicContact CH2-CD 4.12Å; W665-K667 HydrophobicContact CH2-CG 3.98Å; W665-K667 HydrophobicContact CZ2-CB 4.13Å; W665-K667 HydrophobicContact CZ2-CG 4.43Å; W665-K667 HydrophobicContact CZ3-CB 3.92Å; W665-N673 HydrophobicContact CZ2-CB 4.18Å |
| 666 | L | 94.9 | Very high | 95.6 | Very high | 88 Ų | 88 | 39.4 Ų | 39.4 | 46% | 0.461 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 113.7 | -177.2 | -60.6 | 174 | 0 | 0 | 0 | 109.5 | G668 N673 N674 | L666-G668 PolarHBondContact O-N 3.15Å; L666-G668 VanDerWaalsContact O-N 3.16Å; L666-N673 WeakPolarHBondContact O-CA 3.18Å; L666-N673 WeakPolarHBondContact O-CB 3.24Å; L666-N674 HydrophobicContact CB-CB 4.42Å; L666-N674 PolarHBondContact N-O 2.91Å; L666-N674 PolarHBondContact O-N 3.45Å |
| 667 | K | 91.7 | Very high | 95.6 | Very high | 141 Ų | 141 | 39.2 Ų | 39.2 | 61% | 0.613 | 20% | 0.203 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 106.5 | 171.1 | -170.5 | 175.8 | -173.7 | 166.2 | 0 | 109.5 | E62 W665 | E62-K667 WeakPolarHBondContact OE1-CE 3.33Å; E62-K667 IonicContact OE1-NZ 3.51Å; E62-K667 PolarHBondContact OE1-NZ 3.32Å; W665-K667 HydrophobicContact CH2-CB 3.63Å; W665-K667 HydrophobicContact CH2-CD 4.12Å; W665-K667 HydrophobicContact CH2-CG 3.98Å; W665-K667 HydrophobicContact CZ2-CB 4.13Å; W665-K667 HydrophobicContact CZ2-CG 4.43Å; W665-K667 HydrophobicContact CZ3-CB 3.92Å |
| 668 | G | 87.9 | Confident | 95.6 | Very high | 34 Ų | 34 | 41.4 Ų | 41.4 | 35% | 0.351 | 21% | 0.213 | S | C | . | . | trans | -87.1 | -177.4 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | L666 Q672 | L666-G668 PolarHBondContact O-N 3.15Å; L666-G668 VanDerWaalsContact O-N 3.16Å; G668-Q672 CarbonylContact C-O 3.59Å; G668-Q672 VanDerWaalsContact C-O 3.31Å; G668-Q672 WeakPolarHBondContact CA-O 3.4Å; G668-Q672 PolarHBondContact N-O 3.38Å | ||
| 669 | S | 87.1 | Confident | 95.6 | Very high | 98 Ų | 98 | 41.4 Ų | 41.4 | 69% | 0.685 | 21% | 0.213 | S | C | * | . | G | 310 helix | trans | -75.3 | 158.8 | 178 | 68.1 | 0 | 0 | 0 | 0 | 110.8 | R671 Q672 | S669-R671 PolarHBondContact O-N 3.08Å; S669-Q672 PolarHBondContact O-N 3.2Å |
| 670 | N | 87.9 | Confident | 95.7 | Very high | 93 Ų | 93 | 42.9 Ų | 42.9 | 50% | 0.497 | 22% | 0.22 | S | C | . | . | G | 310 helix | trans | 54.2 | 28.2 | 176.3 | -166 | 27.9 | 0 | 0 | 0 | 114.7 | R593 Q672 | R593-N670 VanDerWaalsContact CD-O 3.3Å; R593-N670 WeakPolarHBondContact CD-O 3.32Å; R593-N670 PolarHBondContact NH1-OD1 3Å; N670-Q672 PolarHBondContact O-N 2.98Å |
| 671 | R | 90.1 | Very high | 95.7 | Very high | 94 Ų | 94 | 41.4 Ų | 41.4 | 36% | 0.355 | 21% | 0.213 | S | C | . | . | G | 310 helix | trans | 64.6 | 16.2 | -178.9 | -50 | 175.8 | -74.7 | 159.7 | -23.8 | 114.3 | V591 R593 S669 | V591-R671 VanDerWaalsContact O-CD 3.27Å; V591-R671 WeakPolarHBondContact O-CD 3.34Å; V591-R671 PolarHBondContact O-NH1 3.49Å; R593-R671 HydrophobicContact CB-CB 4.41Å; R593-R671 HydrophobicContact CG-CB 4.26Å; R593-R671 PolarHBondContact N-O 3Å; R593-R671 VanDerWaalsContact NE-NH2 3.19Å; S669-R671 PolarHBondContact O-N 3.08Å |
| 672 | Q | 94.4 | Very high | 95.5 | Very high | 51 Ų | 51 | 42.5 Ų | 42.5 | 24% | 0.238 | 22% | 0.22 | C | C | . | . | B | Isolated β-bridge | trans | -85.8 | 115.9 | 167.3 | -65.4 | 173.5 | -5.5 | 0 | 0 | 107.4 | R593 K594 G668 S669 N670 | R593-Q672 HydrophobicContact CB-CG 3.91Å; R593-Q672 WeakPolarHBondContact O-CA 3.23Å; K594-Q672 PolarHBondContact O-NE2 3.31Å; G668-Q672 CarbonylContact C-O 3.59Å; G668-Q672 VanDerWaalsContact C-O 3.31Å; G668-Q672 WeakPolarHBondContact CA-O 3.4Å; G668-Q672 PolarHBondContact N-O 3.38Å; S669-Q672 PolarHBondContact O-N 3.2Å; N670-Q672 PolarHBondContact O-N 2.98Å |
| 673 | N | 96.3 | Very high | 95.3 | Very high | 7 Ų | 7 | 45.7 Ų | 45.7 | 4% | 0.037 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 155.2 | 179.1 | -38 | -72.4 | 0 | 0 | 0 | 109.6 | D592 A623 W665 L666 | D592-N673 PolarHBondContact OD1-ND2 3.07Å; A623-N673 PolarHBondContact N-O 3.48Å; A623-N673 CarbonylContact O-C 3.06Å; A623-N673 WeakPolarHBondContact O-CB 3.49Å; A623-N673 VanDerWaalsContact O-O 3.07Å; W665-N673 HydrophobicContact CZ2-CB 4.18Å; L666-N673 WeakPolarHBondContact O-CA 3.18Å; L666-N673 WeakPolarHBondContact O-CB 3.24Å |
| 674 | N | 97.4 | Very high | 95 | Very high | 49 Ų | 49 | 50.3 Ų | 50.3 | 26% | 0.262 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 150 | 178.9 | -61.2 | 2.3 | 0 | 0 | 0 | 109.6 | L604 T620 F621 L666 | L604-N674 WeakPolarHBondContact CD1-OD1 3.25Å; T620-N674 HydrophobicContact CG2-CB 3.9Å; F621-N674 VanDerWaalsContact O-CA 3.29Å; F621-N674 WeakPolarHBondContact O-CA 3.2Å; L666-N674 HydrophobicContact CB-CB 4.42Å; L666-N674 PolarHBondContact N-O 2.91Å; L666-N674 PolarHBondContact O-N 3.45Å |
| 675 | A | 98.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 116.2 | 167.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | T620 F621 A623 F663 H664 H694 | T620-A675 CarbonylContact C-O 3.52Å; T620-A675 WeakPolarHBondContact CA-O 3.34Å; F621-A675 PolarHBondContact N-O 2.92Å; F621-A675 PolarHBondContact O-N 3.2Å; A623-A675 HydrophobicContact CB-CB 3.55Å; F663-A675 HydrophobicContact CE2-CB 3.73Å; H664-A675 CarbonylContact O-C 3.57Å; H664-A675 VanDerWaalsContact O-CA 3.3Å; H664-A675 WeakPolarHBondContact O-CA 3.33Å; A675-H694 WeakPolarHBondContact CB-NE2 3.31Å |
| 676 | T | 98.6 | Very high | 94.7 | Very high | 17 Ų | 17 | 51.4 Ų | 51.4 | 10% | 0.104 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 125.6 | 172.3 | -59.2 | 0 | 0 | 0 | 0 | 108.3 | V619 T620 H664 | V619-T676 CarbonylContact O-C 3.47Å; V619-T676 WeakPolarHBondContact O-CA 3.08Å; T620-T676 PolarHBondContact OG1-OG1 2.73Å; H664-T676 WeakPolarHBondContact CB-O 3.5Å; H664-T676 PolarHBondContact N-O 2.77Å; H664-T676 PolarHBondContact O-N 3.34Å |
| 677 | V | 98.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 123 | 176.7 | -178.3 | 0 | 0 | 0 | 0 | 108.2 | S618 V619 F621 V638 R662 F663 I692 | S618-V677 WeakPolarHBondContact CA-O 3.1Å; V619-V677 HydrophobicContact CG1-CB 4.04Å; V619-V677 PolarHBondContact N-O 3.22Å; V619-V677 PolarHBondContact O-N 3.14Å; F621-V677 HydrophobicContact CD2-CG2 4.39Å; F621-V677 HydrophobicContact CE2-CG2 4.04Å; V638-V677 HydrophobicContact CB-CG1 4.31Å; V638-V677 HydrophobicContact CG1-CG1 3.42Å; V638-V677 VanDerWaalsContact CG1-CG1 3.42Å; V638-V677 HydrophobicContact CG1-CG2 4.44Å; V638-V677 HydrophobicContact CG2-CB 4.35Å; V638-V677 HydrophobicContact CG2-CG1 3.88Å; V638-V677 HydrophobicContact CG2-CG2 3.52Å; R662-V677 WeakPolarHBondContact O-CA 3.41Å; F663-V677 HydrophobicContact CD2-CG2 4.41Å; V677-I692 HydrophobicContact CB-CG2 3.99Å; V677-I692 HydrophobicContact CG1-CG2 3.65Å; V677-I692 HydrophobicContact CG2-CG2 4.46Å |
| 678 | E | 98.7 | Very high | 95 | Very high | 48 Ų | 48 | 45.2 Ų | 45.2 | 22% | 0.224 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 137.4 | 170.8 | -56.6 | -175.4 | 151.6 | 0 | 0 | 110 | I616 V617 T661 R662 H664 F680 | I616-E678 HydrophobicContact CG2-CB 4.24Å; V617-E678 CarbonylContact O-C 3.13Å; V617-E678 VanDerWaalsContact O-CA 3.24Å; V617-E678 WeakPolarHBondContact O-CA 3.19Å; T661-E678 CarbonylContact C-O 3.56Å; T661-E678 VanDerWaalsContact CA-O 3.3Å; T661-E678 WeakPolarHBondContact CA-O 3.47Å; R662-E678 HydrophobicContact CB-CB 4.25Å; R662-E678 PolarHBondContact N-O 3.33Å; R662-E678 IonicContact NH1-OE2 2.73Å; R662-E678 PolarHBondContact O-N 3.08Å; H664-E678 IonicContact NE2-OE2 3.96Å; E678-F680 HydrophobicContact CB-CD2 4.43Å; E678-F680 HydrophobicContact CB-CE2 3.85Å; E678-F680 WeakPolarHBondContact OE2-CE2 3.41Å |
| 679 | W | 98.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 113.9 | 167.4 | 174.3 | 41.4 | 0 | 0 | 0 | 109.7 | I616 V617 V640 Y654 I681 A685 Y690 I692 F718 V720 | I616-W679 WeakPolarHBondContact CA-O 3.42Å; V617-W679 HydrophobicContact CB-CB 4.3Å; V617-W679 HydrophobicContact CB-CE3 4.43Å; V617-W679 HydrophobicContact CG2-CE3 3.86Å; V617-W679 HydrophobicContact CG2-CZ3 4.47Å; V617-W679 PolarHBondContact N-O 2.98Å; V617-W679 PolarHBondContact O-N 3.01Å; V640-W679 HydrophobicContact CG1-CD2 3.77Å; V640-W679 HydrophobicContact CG1-CE3 3.62Å; V640-W679 HydrophobicContact CG1-CG 4.42Å; V640-W679 HydrophobicContact CG1-CH2 4.07Å; V640-W679 HydrophobicContact CG1-CZ2 4.21Å; V640-W679 HydrophobicContact CG1-CZ3 3.76Å; V640-W679 HydrophobicContact CG2-CB 4.07Å; V640-W679 HydrophobicContact CG2-CD2 4.1Å; V640-W679 HydrophobicContact CG2-CG 3.85Å; Y654-W679 AromaticContact CD2-CE2 3.83Å; Y654-W679 AromaticContact CD2-CZ2 4Å; Y654-W679 HydrophobicContact CD2-CZ2 4Å; Y654-W679 AromaticContact CD2-NE1 3.48Å; Y654-W679 AromaticContact CE2-CE2 3.74Å; Y654-W679 AromaticContact CE2-CZ2 3.56Å; Y654-W679 HydrophobicContact CE2-CZ2 3.56Å; Y654-W679 AromaticContact CE2-NE1 3.49Å; W679-I681 HydrophobicContact CD2-CG1 3.93Å; W679-I681 HydrophobicContact CE3-CG1 3.86Å; W679-I681 HydrophobicContact CH2-CG1 4.07Å; W679-I681 HydrophobicContact CH2-CG2 4.31Å; W679-I681 HydrophobicContact CZ2-CB 4.43Å; W679-I681 HydrophobicContact CZ2-CG1 4.13Å; W679-I681 HydrophobicContact CZ2-CG2 4.17Å; W679-I681 HydrophobicContact CZ3-CD1 4.42Å; W679-I681 HydrophobicContact CZ3-CG1 3.96Å; W679-I681 PolarHBondContact O-N 3.31Å; W679-A685 HydrophobicContact CZ2-CB 4.4Å; W679-Y690 AromaticContact CH2-CD1 3.53Å; W679-Y690 HydrophobicContact CH2-CD1 3.53Å; W679-Y690 HydrophobicContact CH2-CD2 4.19Å; W679-Y690 AromaticContact CH2-CE1 3.52Å; W679-Y690 HydrophobicContact CH2-CE1 3.52Å; W679-Y690 HydrophobicContact CH2-CE2 4.2Å; W679-Y690 AromaticContact CH2-CG 3.86Å; W679-Y690 HydrophobicContact CH2-CG 3.86Å; W679-Y690 AromaticContact CH2-CZ 3.87Å; W679-Y690 HydrophobicContact CZ2-CE1 4.26Å; W679-Y690 AromaticContact CZ3-CD1 3.75Å; W679-Y690 HydrophobicContact CZ3-CD1 3.75Å; W679-Y690 HydrophobicContact CZ3-CD2 4.32Å; W679-Y690 HydrophobicContact CZ3-CE1 4.23Å; W679-Y690 AromaticContact CZ3-CG 3.78Å; W679-Y690 HydrophobicContact CZ3-CG 3.78Å; W679-I692 HydrophobicContact CB-CD1 4.05Å; W679-F718 HydrophobicContact CE3-CE2 4.03Å; W679-F718 AromaticContact CE3-CZ 3.81Å; W679-F718 HydrophobicContact CE3-CZ 3.81Å; W679-F718 AromaticContact CZ3-CE2 3.66Å; W679-F718 HydrophobicContact CZ3-CE2 3.66Å; W679-F718 AromaticContact CZ3-CZ 3.73Å; W679-F718 HydrophobicContact CZ3-CZ 3.73Å; W679-V720 HydrophobicContact CH2-CG2 4.12Å; W679-V720 HydrophobicContact CZ3-CG2 3.96Å |
| 680 | F | 98.4 | Very high | 96 | Very high | 55 Ų | 55 | 41.1 Ų | 41.1 | 24% | 0.241 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 97.4 | 174.9 | -69.6 | -104.2 | 0 | 0 | 0 | 108 | I616 E660 R662 E678 P682 | I616-F680 HydrophobicContact CD1-CD1 3.85Å; I616-F680 HydrophobicContact CD1-CE1 3.31Å; I616-F680 HydrophobicContact CD1-CZ 3.88Å; I616-F680 HydrophobicContact CG1-CD1 3.68Å; I616-F680 HydrophobicContact CG1-CE1 3.67Å; I616-F680 HydrophobicContact CG1-CG 4.31Å; I616-F680 HydrophobicContact CG1-CZ 4.27Å; I616-F680 HydrophobicContact CG2-CD2 4.47Å; I616-F680 HydrophobicContact CG2-CE1 4.37Å; I616-F680 HydrophobicContact CG2-CE2 4.2Å; I616-F680 HydrophobicContact CG2-CZ 4.13Å; E660-F680 WeakPolarHBondContact O-CD2 3.48Å; E660-F680 PolarHBondContact O-N 3.43Å; R662-F680 HydrophobicContact CG-CE2 4.05Å; R662-F680 VanDerWaalsContact CZ-CE2 3.5Å; E678-F680 HydrophobicContact CB-CD2 4.43Å; E678-F680 HydrophobicContact CB-CE2 3.85Å; E678-F680 WeakPolarHBondContact OE2-CE2 3.41Å; F680-P682 WeakPolarHBondContact O-CD 3.35Å; F680-P682 VanDerWaalsContact O-N 3.11Å |
| 681 | I | 98.3 | Very high | 96.6 | Very high | 4 Ų | 4 | 39.3 Ų | 39.3 | 2% | 0.021 | 24% | 0.235 | C | C | . | . | trans | -64.4 | 114.6 | -172.9 | -57.7 | 167.9 | 0 | 0 | 0 | 108.9 | Y611 Q613 G614 D615 V617 W679 A685 V720 | Y611-I681 HydrophobicContact CG-CD1 4.19Å; Q613-I681 HydrophobicContact CG-CG2 4.44Å; G614-I681 VanDerWaalsContact CA-O 3.28Å; G614-I681 WeakPolarHBondContact CA-O 3.11Å; G614-I681 PolarHBondContact N-O 3.3Å; D615-I681 HydrophobicContact CB-CD1 4.44Å; D615-I681 PolarHBondContact O-N 3.19Å; V617-I681 HydrophobicContact CG2-CD1 3.61Å; V617-I681 HydrophobicContact CG2-CG1 3.93Å; W679-I681 HydrophobicContact CD2-CG1 3.93Å; W679-I681 HydrophobicContact CE3-CG1 3.86Å; W679-I681 HydrophobicContact CH2-CG1 4.07Å; W679-I681 HydrophobicContact CH2-CG2 4.31Å; W679-I681 HydrophobicContact CZ2-CB 4.43Å; W679-I681 HydrophobicContact CZ2-CG1 4.13Å; W679-I681 HydrophobicContact CZ2-CG2 4.17Å; W679-I681 HydrophobicContact CZ3-CD1 4.42Å; W679-I681 HydrophobicContact CZ3-CG1 3.96Å; W679-I681 PolarHBondContact O-N 3.31Å; I681-A685 HydrophobicContact CG2-CB 3.66Å; I681-V720 HydrophobicContact CD1-CG1 4.17Å; I681-V720 HydrophobicContact CD1-CG2 3.82Å; I681-V720 HydrophobicContact CG2-CG1 3.71Å | ||
| 682 | P | 95.8 | Very high | 97 | Very high | 25 Ų | 25 | 34.8 Ų | 34.8 | 16% | 0.162 | 22% | 0.218 | C | C | . | . | trans | -68.7 | 155.1 | 178.6 | 26.9 | -31.7 | 0 | 0 | 0 | 110.8 | Y654 E660 F680 S684 A685 | Y654-P682 WeakPolarHBondContact OH-CG 3.33Å; E660-P682 HydrophobicContact CG-CB 4.49Å; E660-P682 HydrophobicContact CG-CG 4.21Å; F680-P682 WeakPolarHBondContact O-CD 3.35Å; F680-P682 VanDerWaalsContact O-N 3.11Å; P682-S684 PolarHBondContact O-N 2.71Å; P682-S684 VanDerWaalsContact O-N 3.14Å; P682-A685 HydrophobicContact CG-CB 3.99Å; P682-A685 VanDerWaalsContact O-CB 3.3Å; P682-A685 WeakPolarHBondContact O-CB 3.38Å; P682-A685 PolarHBondContact O-N 3.4Å | ||
| 683 | S | 93.9 | Very high | 97.2 | Very high | 103 Ų | 103 | 34.4 Ų | 34.4 | 72% | 0.72 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -21.3 | 176 | 53 | 0 | 0 | 0 | 0 | 113.4 | ||
| 684 | S | 92.8 | Very high | 97.3 | Very high | 99 Ų | 99 | 34.1 Ų | 34.1 | 69% | 0.692 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -4.7 | 176.2 | 53.2 | 0 | 0 | 0 | 0 | 114.4 | P682 | P682-S684 PolarHBondContact O-N 2.71Å; P682-S684 VanDerWaalsContact O-N 3.14Å |
| 685 | A | 95.1 | Very high | 97.3 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.008 | 21% | 0.211 | C | C | . | . | P | Polyproline II helix | trans | -59.9 | 131.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q613 W679 I681 P682 | Q613-A685 PolarHBondContact NE2-O 3.18Å; W679-A685 HydrophobicContact CZ2-CB 4.4Å; I681-A685 HydrophobicContact CG2-CB 3.66Å; P682-A685 HydrophobicContact CG-CB 3.99Å; P682-A685 VanDerWaalsContact O-CB 3.3Å; P682-A685 WeakPolarHBondContact O-CB 3.38Å; P682-A685 PolarHBondContact O-N 3.4Å |
| 686 | P | 94.3 | Very high | 97.3 | Very high | 73 Ų | 73 | 34.4 Ų | 34.4 | 47% | 0.474 | 21% | 0.213 | S | C | . | . | P | Polyproline II helix | trans | -54.8 | 147.4 | 173.9 | -25.9 | 34.3 | 0 | 0 | 0 | 112.3 | I642 Y690 | I642-P686 HydrophobicContact CD1-CB 4.11Å; P686-Y690 WeakPolarHBondContact O-CE2 3.3Å; P686-Y690 PolarHBondContact O-OH 3.28Å |
| 687 | A | 95.9 | Very high | 97.3 | Very high | 74 Ų | 74 | 35.7 Ų | 35.7 | 61% | 0.612 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -72.9 | 135.5 | 166.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | V720 | A687-V720 CarbonylContact C-O 3.34Å; A687-V720 WeakPolarHBondContact CA-O 3.27Å |
| 688 | G | 96.6 | Very high | 97.2 | Very high | 24 Ų | 24 | 37.3 Ų | 37.3 | 25% | 0.247 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 172.1 | -176.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114 | Y690 S719 V720 | G688-Y690 WeakPolarHBondContact O-CD2 3.49Å; G688-S719 WeakPolarHBondContact O-CA 3.48Å; G688-V720 PolarHBondContact N-O 2.95Å; G688-V720 PolarHBondContact O-N 2.88Å |
| 689 | S | 98.3 | Very high | 97.2 | Very high | 47 Ų | 47 | 37.3 Ų | 37.3 | 33% | 0.329 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 130.1 | 172.8 | -68.1 | 0 | 0 | 0 | 0 | 109.7 | I642 Y643 F718 | I642-S689 WeakPolarHBondContact CA-O 3.36Å; Y643-S689 PolarHBondContact N-O 3.15Å; S689-F718 CarbonylContact C-O 3.59Å; S689-F718 WeakPolarHBondContact CA-O 3.47Å |
| 690 | Y | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 157.3 | -175 | -71.2 | -91.5 | 0 | 0 | 0 | 111.2 | V640 E641 I642 V653 W679 P686 G688 V717 F718 V720 | V640-Y690 HydrophobicContact CG1-CD1 3.99Å; E641-Y690 CarbonylContact O-C 3.6Å; E641-Y690 WeakPolarHBondContact O-CA 3.44Å; E641-Y690 WeakPolarHBondContact O-CD1 3.27Å; I642-Y690 HydrophobicContact CB-CD1 3.96Å; I642-Y690 HydrophobicContact CB-CE1 3.61Å; I642-Y690 HydrophobicContact CD1-CE1 4.04Å; I642-Y690 HydrophobicContact CD1-CE2 4.2Å; I642-Y690 WeakPolarHBondContact CD1-OH 3.45Å; I642-Y690 HydrophobicContact CG1-CD1 4.21Å; I642-Y690 HydrophobicContact CG1-CE1 3.76Å; I642-Y690 HydrophobicContact CG1-CE2 4.13Å; V653-Y690 HydrophobicContact CG2-CD1 4.46Å; V653-Y690 HydrophobicContact CG2-CE1 4Å; W679-Y690 AromaticContact CH2-CD1 3.53Å; W679-Y690 HydrophobicContact CH2-CD1 3.53Å; W679-Y690 HydrophobicContact CH2-CD2 4.19Å; W679-Y690 AromaticContact CH2-CE1 3.52Å; W679-Y690 HydrophobicContact CH2-CE1 3.52Å; W679-Y690 HydrophobicContact CH2-CE2 4.2Å; W679-Y690 AromaticContact CH2-CG 3.86Å; W679-Y690 HydrophobicContact CH2-CG 3.86Å; W679-Y690 AromaticContact CH2-CZ 3.87Å; W679-Y690 HydrophobicContact CZ2-CE1 4.26Å; W679-Y690 AromaticContact CZ3-CD1 3.75Å; W679-Y690 HydrophobicContact CZ3-CD1 3.75Å; W679-Y690 HydrophobicContact CZ3-CD2 4.32Å; W679-Y690 HydrophobicContact CZ3-CE1 4.23Å; W679-Y690 AromaticContact CZ3-CG 3.78Å; W679-Y690 HydrophobicContact CZ3-CG 3.78Å; P686-Y690 WeakPolarHBondContact O-CE2 3.3Å; P686-Y690 PolarHBondContact O-OH 3.28Å; G688-Y690 WeakPolarHBondContact O-CD2 3.49Å; Y690-V717 WeakPolarHBondContact O-CA 3.34Å; Y690-F718 VanDerWaalsContact CB-CZ 3.49Å; Y690-F718 HydrophobicContact CG-CE2 4.4Å; Y690-F718 PolarHBondContact N-O 3.07Å; Y690-F718 WeakPolarHBondContact O-CD1 3.28Å; Y690-F718 PolarHBondContact O-N 2.89Å; Y690-V720 HydrophobicContact CD2-CB 3.77Å; Y690-V720 HydrophobicContact CD2-CG2 3.52Å; Y690-V720 HydrophobicContact CE2-CB 3.7Å; Y690-V720 HydrophobicContact CE2-CG1 4.48Å; Y690-V720 HydrophobicContact CE2-CG2 3.9Å; Y690-V720 HydrophobicContact CG-CG2 4.26Å |
| 691 | R | 98.7 | Very high | 96.7 | Very high | 54 Ų | 54 | 42.2 Ų | 42.2 | 20% | 0.204 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 156.2 | 163 | 71.3 | -176.7 | -178.8 | 178.1 | -1 | 110.3 | E641 W650 | E641-R691 HydrophobicContact CB-CG 4.13Å; E641-R691 PolarHBondContact N-O 2.91Å; E641-R691 PolarHBondContact O-N 2.65Å; E641-R691 IonicContact OE2-CZ 3.43Å; E641-R691 IonicContact OE2-NE 3.88Å; E641-R691 PolarHBondContact OE2-NE 3Å; E641-R691 IonicContact OE2-NH2 2.6Å; E641-R691 PolarHBondContact OE2-NH2 3.3Å; W650-R691 HydrophobicContact CD2-CG 4.17Å; W650-R691 HydrophobicContact CE3-CG 3.77Å; W650-R691 HydrophobicContact CH2-CB 3.97Å; W650-R691 HydrophobicContact CH2-CG 3.88Å; W650-R691 HydrophobicContact CZ2-CG 4.28Å; W650-R691 HydrophobicContact CZ3-CB 4Å; W650-R691 HydrophobicContact CZ3-CG 3.62Å |
| 692 | I | 98.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 130.2 | 172.9 | -63.5 | 179.9 | 0 | 0 | 0 | 108.3 | V617 V619 T639 V640 V677 W679 S715 F718 | V617-I692 HydrophobicContact CB-CD1 4.14Å; V617-I692 HydrophobicContact CG1-CD1 3.64Å; V619-I692 HydrophobicContact CG1-CB 3.89Å; V619-I692 HydrophobicContact CG1-CD1 4.02Å; V619-I692 HydrophobicContact CG1-CG2 3.67Å; T639-I692 WeakPolarHBondContact O-CA 3.31Å; V640-I692 HydrophobicContact CG2-CG1 4.28Å; V677-I692 HydrophobicContact CB-CG2 3.99Å; V677-I692 HydrophobicContact CG1-CG2 3.65Å; V677-I692 HydrophobicContact CG2-CG2 4.46Å; W679-I692 HydrophobicContact CB-CD1 4.05Å; I692-S715 PolarHBondContact N-OG 3.03Å; I692-S715 PolarHBondContact O-N 2.74Å; I692-F718 HydrophobicContact CG1-CE1 4.16Å; I692-F718 HydrophobicContact CG1-CZ 4.3Å |
| 693 | R | 98.7 | Very high | 95.9 | Very high | 43 Ų | 43 | 49.8 Ų | 49.8 | 16% | 0.162 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 144.7 | 172.4 | -58.1 | 178.2 | 73.7 | -157.7 | 1 | 111.2 | V638 T639 E641 F695 E712 G713 | V638-R693 WeakPolarHBondContact CA-O 3.26Å; T639-R693 PolarHBondContact N-O 3.06Å; T639-R693 PolarHBondContact O-N 3.16Å; E641-R693 VanDerWaalsContact CD-CD 3.5Å; E641-R693 WeakPolarHBondContact OE1-CD 3.46Å; E641-R693 IonicContact OE1-NH1 3.37Å; E641-R693 PolarHBondContact OE1-NH1 3.27Å; E641-R693 WeakPolarHBondContact OE2-CD 3.39Å; R693-F695 HydrophobicContact CB-CE2 4.16Å; R693-F695 HydrophobicContact CB-CZ 3.89Å; R693-E712 IonicContact CZ-OE2 2.78Å; R693-E712 IonicContact NH2-OE1 3.69Å; R693-E712 PolarHBondContact NH2-OE1 3.47Å; R693-E712 IonicContact NH2-OE2 3.79Å; R693-E712 PolarHBondContact NH2-OE2 2.91Å; R693-G713 CarbonylContact C-O 3.4Å; R693-G713 VanDerWaalsContact CA-O 3.22Å; R693-G713 WeakPolarHBondContact CA-O 3.39Å |
| 694 | H | 98.6 | Very high | 95.5 | Very high | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 136.2 | 175.7 | 174 | 47.6 | 0 | 0 | 0 | 110 | F621 F637 F663 A675 Y711 E712 G713 | F621-H694 HydrophobicContact CD1-CB 4.35Å; F621-H694 HydrophobicContact CD2-CB 3.55Å; F621-H694 HydrophobicContact CE1-CB 4.35Å; F621-H694 HydrophobicContact CE2-CB 3.55Å; F621-H694 HydrophobicContact CG-CB 3.97Å; F621-H694 HydrophobicContact CZ-CB 3.97Å; F637-H694 WeakPolarHBondContact O-CA 3.49Å; F637-H694 PolarHBondContact O-ND1 2.86Å; F663-H694 AromaticContact CE2-CE1 3.49Å; F663-H694 VanDerWaalsContact CE2-CE1 3.49Å; F663-H694 WeakPolarHBondContact CE2-CE1 3.36Å; F663-H694 AromaticContact CE2-ND1 3.87Å; A675-H694 WeakPolarHBondContact CB-NE2 3.31Å; H694-Y711 AromaticContact CD2-CE2 3.81Å; H694-Y711 AromaticContact NE2-CE2 3.82Å; H694-Y711 AromaticContact NE2-CZ 3.79Å; H694-Y711 PolarHBondContact NE2-OH 3.39Å; H694-E712 CarbonylContact O-C 3.42Å; H694-E712 VanDerWaalsContact O-CA 3.23Å; H694-E712 WeakPolarHBondContact O-CA 3.46Å; H694-G713 PolarHBondContact N-O 2.93Å; H694-G713 PolarHBondContact O-N 2.72Å |
| 695 | F | 98.5 | Very high | 95.4 | Very high | 49 Ų | 49 | 52 Ų | 52 | 22% | 0.215 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 142.5 | 177.3 | -49.1 | -83.7 | 0 | 0 | 0 | 109.3 | T636 F637 T639 R693 E712 | T636-F695 HydrophobicContact CG2-CD2 4.24Å; T636-F695 HydrophobicContact CG2-CE2 4.28Å; T636-F695 WeakPolarHBondContact O-CD2 3.24Å; F637-F695 VanDerWaalsContact CD1-O 3.26Å; F637-F695 WeakPolarHBondContact CD1-O 3.22Å; F637-F695 PolarHBondContact O-N 2.03Å; T639-F695 HydrophobicContact CG2-CE2 3.88Å; T639-F695 WeakPolarHBondContact OG1-CE2 3.32Å; R693-F695 HydrophobicContact CB-CE2 4.16Å; R693-F695 HydrophobicContact CB-CZ 3.89Å; F695-E712 HydrophobicContact CD1-CB 3.93Å; F695-E712 HydrophobicContact CE1-CB 4.27Å |
| 696 | G | 97.9 | Very high | 95.3 | Very high | 5 Ų | 5 | 55.9 Ų | 55.9 | 5% | 0.052 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.7 | -177.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | P710 Y711 | G696-P710 CarbonylContact O-C 3.55Å; G696-P710 WeakPolarHBondContact O-CA 3.08Å; G696-Y711 VanDerWaalsContact C-CD1 3.43Å; G696-Y711 PolarHBondContact N-O 3.17Å; G696-Y711 VanDerWaalsContact O-CD1 3.24Å; G696-Y711 WeakPolarHBondContact O-CD1 3.21Å; G696-Y711 PolarHBondContact O-N 2.78Å |
| 697 | H | 98.1 | Very high | 95.4 | Very high | 44 Ų | 44 | 54.6 Ų | 54.6 | 20% | 0.204 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 145.1 | 174.7 | -63.3 | 76.9 | 0 | 0 | 0 | 109.7 | G624 H628 S629 I708 T709 | G624-H697 WeakPolarHBondContact CA-O 3.4Å; H628-H697 HydrophobicContact CB-CB 4.15Å; S629-H697 WeakPolarHBondContact CA-ND1 3.41Å; S629-H697 VanDerWaalsContact CB-ND1 3.34Å; S629-H697 WeakPolarHBondContact CB-ND1 3.38Å; S629-H697 PolarHBondContact OG-ND1 3.05Å; H697-I708 HydrophobicContact CB-CG2 3.8Å; H697-T709 WeakPolarHBondContact CA-O 3.26Å |
| 698 | Y | 97.5 | Very high | 95.4 | Very high | 35 Ų | 35 | 55.3 Ų | 55.3 | 14% | 0.137 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 152.6 | 173.3 | 74.7 | -88.7 | 0 | 0 | 0 | 110.3 | D592 F600 E700 I708 T709 Y711 | D592-Y698 WeakPolarHBondContact OD2-CA 3.36Å; F600-Y698 HydrophobicContact CB-CD1 3.96Å; F600-Y698 HydrophobicContact CB-CE1 4.38Å; F600-Y698 HydrophobicContact CD1-CD1 4.48Å; F600-Y698 HydrophobicContact CD1-CG 4.21Å; F600-Y698 AromaticContact CD2-CD1 3.41Å; F600-Y698 HydrophobicContact CD2-CD1 3.41Å; F600-Y698 VanDerWaalsContact CD2-CD1 3.41Å; F600-Y698 AromaticContact CD2-CD2 3.51Å; F600-Y698 HydrophobicContact CD2-CD2 3.51Å; F600-Y698 AromaticContact CD2-CE1 3.68Å; F600-Y698 HydrophobicContact CD2-CE1 3.68Å; F600-Y698 AromaticContact CD2-CE2 3.76Å; F600-Y698 HydrophobicContact CD2-CE2 3.76Å; F600-Y698 AromaticContact CD2-CG 3.32Å; F600-Y698 HydrophobicContact CD2-CG 3.32Å; F600-Y698 AromaticContact CD2-CZ 3.86Å; F600-Y698 HydrophobicContact CE1-CG 4.27Å; F600-Y698 AromaticContact CE2-CD1 3.99Å; F600-Y698 HydrophobicContact CE2-CD1 3.99Å; F600-Y698 AromaticContact CE2-CD2 3.17Å; F600-Y698 HydrophobicContact CE2-CD2 3.17Å; F600-Y698 HydrophobicContact CE2-CE1 4.36Å; F600-Y698 AromaticContact CE2-CE2 3.6Å; F600-Y698 HydrophobicContact CE2-CE2 3.6Å; F600-Y698 AromaticContact CE2-CG 3.4Å; F600-Y698 HydrophobicContact CE2-CG 3.4Å; F600-Y698 AromaticContact CG-CD1 3.71Å; F600-Y698 HydrophobicContact CG-CD1 3.71Å; F600-Y698 HydrophobicContact CG-CD2 4.38Å; F600-Y698 HydrophobicContact CG-CE1 4.28Å; F600-Y698 AromaticContact CG-CG 3.77Å; F600-Y698 HydrophobicContact CG-CG 3.77Å; F600-Y698 AromaticContact CZ-CD2 3.82Å; F600-Y698 HydrophobicContact CZ-CD2 3.82Å; F600-Y698 AromaticContact CZ-CG 3.89Å; F600-Y698 HydrophobicContact CZ-CG 3.89Å; Y698-E700 HydrophobicContact CD2-CB 4.3Å; Y698-E700 HydrophobicContact CE2-CB 3.96Å; Y698-E700 HydrophobicContact CE2-CG 3.85Å; Y698-E700 WeakPolarHBondContact CE2-OE2 3.37Å; Y698-I708 WeakPolarHBondContact O-CA 3.35Å; Y698-T709 VanDerWaalsContact CD1-O 3.31Å; Y698-T709 WeakPolarHBondContact CD1-O 2.95Å; Y698-T709 HydrophobicContact CE1-CG2 3.95Å; Y698-T709 PolarHBondContact N-O 3.23Å; Y698-T709 PolarHBondContact O-N 3.43Å; Y698-Y711 AromaticContact CD1-CD1 3.85Å; Y698-Y711 HydrophobicContact CD1-CD1 3.85Å |
| 699 | K | 96.9 | Very high | 95.5 | Very high | 48 Ų | 48 | 55.8 Ų | 55.8 | 21% | 0.209 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 125.7 | 177.2 | -179.5 | -179.7 | 177.6 | 177.8 | 0 | 110.5 | A589 V591 D592 H628 P706 V707 I708 | A589-K699 PolarHBondContact O-NZ 3.42Å; V591-K699 CarbonylContact C-O 3.58Å; V591-K699 WeakPolarHBondContact CA-O 3.23Å; V591-K699 WeakPolarHBondContact CG1-O 3.49Å; V591-K699 HydrophobicContact CG2-CD 4.41Å; V591-K699 HydrophobicContact CG2-CG 4.21Å; D592-K699 PolarHBondContact N-O 3.3Å; D592-K699 PolarHBondContact OD2-N 3.04Å; H628-K699 WeakPolarHBondContact CE1-CB 3.41Å; H628-K699 VanDerWaalsContact CE1-CD 3.42Å; H628-K699 WeakPolarHBondContact CE1-CD 3.34Å; H628-K699 WeakPolarHBondContact NE2-CB 3.34Å; K699-P706 HydrophobicContact CG-CB 4.43Å; K699-V707 WeakPolarHBondContact CA-O 2.99Å; K699-I708 HydrophobicContact CB-CG1 4.47Å |
| 700 | E | 94.6 | Very high | 95.4 | Very high | 54 Ų | 54 | 57.7 Ų | 57.7 | 25% | 0.252 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 166.8 | 172.5 | 65.5 | -179 | -178.1 | 0 | 0 | 111.9 | Y698 K702 P706 V707 | Y698-E700 HydrophobicContact CD2-CB 4.3Å; Y698-E700 HydrophobicContact CE2-CB 3.96Å; Y698-E700 HydrophobicContact CE2-CG 3.85Å; Y698-E700 WeakPolarHBondContact CE2-OE2 3.37Å; E700-K702 HydrophobicContact CG-CG 4.45Å; E700-K702 WeakPolarHBondContact OE1-CE 3.23Å; E700-K702 IonicContact OE1-NZ 3.07Å; E700-P706 CarbonylContact O-C 3.48Å; E700-P706 WeakPolarHBondContact O-CA 2.9Å; E700-V707 PolarHBondContact N-O 3.21Å; E700-V707 PolarHBondContact O-N 2.94Å |
| 701 | L | 92.4 | Very high | 95.4 | Very high | 103 Ų | 103 | 59 Ų | 59 | 54% | 0.539 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 115.4 | 170.8 | -71.7 | 168.8 | 0 | 0 | 0 | 109 | V591 P706 | V591-L701 HydrophobicContact CG2-CD1 4.22Å; V591-L701 HydrophobicContact CG2-CD2 4.38Å; V591-L701 HydrophobicContact CG2-CG 3.83Å; L701-P706 HydrophobicContact CD2-CB 4.39Å |
| 702 | K | 88.8 | Confident | 95.4 | Very high | 119 Ų | 119 | 62 Ų | 62 | 52% | 0.517 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 99.2 | 165.9 | -65.9 | -167.7 | -174.4 | 175.7 | 0 | 107.7 | E700 L704 S705 V707 | E700-K702 HydrophobicContact CG-CG 4.45Å; E700-K702 WeakPolarHBondContact OE1-CE 3.23Å; E700-K702 IonicContact OE1-NZ 3.07Å; K702-L704 PolarHBondContact O-N 2.97Å; K702-S705 PolarHBondContact N-O 2.99Å; K702-S705 PolarHBondContact O-N 3.06Å; K702-V707 HydrophobicContact CB-CG2 3.92Å; K702-V707 HydrophobicContact CD-CB 4.33Å; K702-V707 HydrophobicContact CD-CG1 4.44Å; K702-V707 HydrophobicContact CD-CG2 3.99Å; K702-V707 HydrophobicContact CG-CB 4.27Å; K702-V707 HydrophobicContact CG-CG2 3.9Å |
| 703 | G | 87.9 | Confident | 95.4 | Very high | 70 Ų | 70 | 62.3 Ų | 62.3 | 72% | 0.722 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.1 | -120.8 | -167.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 704 | L | 86.6 | Confident | 95.3 | Very high | 173 Ų | 173 | 62.4 Ų | 62.4 | 91% | 0.906 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | -4.5 | 176.8 | -65.8 | 173.9 | 0 | 0 | 0 | 113.7 | K702 | K702-L704 PolarHBondContact O-N 2.97Š|
| 705 | S | 90.7 | Very high | 95.4 | Very high | 76 Ų | 76 | 62.7 Ų | 62.7 | 53% | 0.531 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 131.5 | -175.1 | -62.1 | 0 | 0 | 0 | 0 | 111.4 | K702 | K702-S705 PolarHBondContact N-O 2.99Å; K702-S705 PolarHBondContact O-N 3.06Å |
| 706 | P | 92.7 | Very high | 95.4 | Very high | 82 Ų | 82 | 65.2 Ų | 65.2 | 53% | 0.532 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 132.6 | 170.5 | 29.4 | -32.2 | 0 | 0 | 0 | 110.3 | K699 E700 L701 | K699-P706 HydrophobicContact CG-CB 4.43Å; E700-P706 CarbonylContact O-C 3.48Å; E700-P706 WeakPolarHBondContact O-CA 2.9Å; L701-P706 HydrophobicContact CD2-CB 4.39Å |
| 707 | V | 95.9 | Very high | 95.4 | Very high | 45 Ų | 45 | 68.8 Ų | 68.8 | 27% | 0.273 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 132.9 | 175.3 | -179.3 | 0 | 0 | 0 | 0 | 108.4 | K699 E700 K702 | K699-V707 WeakPolarHBondContact CA-O 2.99Å; E700-V707 PolarHBondContact N-O 3.21Å; E700-V707 PolarHBondContact O-N 2.94Å; K702-V707 HydrophobicContact CB-CG2 3.92Å; K702-V707 HydrophobicContact CD-CB 4.33Å; K702-V707 HydrophobicContact CD-CG1 4.44Å; K702-V707 HydrophobicContact CD-CG2 3.99Å; K702-V707 HydrophobicContact CG-CB 4.27Å; K702-V707 HydrophobicContact CG-CG2 3.9Å |
| 708 | I | 96.9 | Very high | 95.4 | Very high | 89 Ų | 89 | 66.9 Ų | 66.9 | 46% | 0.456 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 127.4 | 173.9 | -62.8 | 176.5 | 0 | 0 | 0 | 107.3 | H628 H697 Y698 K699 | H628-I708 HydrophobicContact CB-CD1 4.33Å; H628-I708 HydrophobicContact CB-CG2 4.16Å; H628-I708 WeakPolarHBondContact O-CG2 3.38Å; H697-I708 HydrophobicContact CB-CG2 3.8Å; Y698-I708 WeakPolarHBondContact O-CA 3.35Å; K699-I708 HydrophobicContact CB-CG1 4.47Å |
| 709 | T | 97.5 | Very high | 95.4 | Very high | 34 Ų | 34 | 66.3 Ų | 66.3 | 21% | 0.209 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 131.3 | -177 | -51.5 | 0 | 0 | 0 | 0 | 109.5 | H697 Y698 | H697-T709 WeakPolarHBondContact CA-O 3.26Å; Y698-T709 VanDerWaalsContact CD1-O 3.31Å; Y698-T709 WeakPolarHBondContact CD1-O 2.95Å; Y698-T709 HydrophobicContact CE1-CG2 3.95Å; Y698-T709 PolarHBondContact N-O 3.23Å; Y698-T709 PolarHBondContact O-N 3.43Å |
| 710 | P | 97.8 | Very high | 95.4 | Very high | 88 Ų | 88 | 64.3 Ų | 64.3 | 57% | 0.571 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 153.1 | 172.8 | 29.7 | -34.3 | 0 | 0 | 0 | 111.2 | G696 | G696-P710 CarbonylContact O-C 3.55Å; G696-P710 WeakPolarHBondContact O-CA 3.08Å |
| 711 | Y | 98.1 | Very high | 95.4 | Very high | 27 Ų | 27 | 62.4 Ų | 62.4 | 11% | 0.106 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 161.8 | 170.7 | 69.7 | -84.5 | 0 | 0 | 0 | 110.1 | F600 G601 A623 G624 H694 G696 Y698 | F600-Y711 VanDerWaalsContact C-CD2 3.49Å; F600-Y711 HydrophobicContact CB-CD1 3.87Å; F600-Y711 HydrophobicContact CB-CD2 3.87Å; F600-Y711 HydrophobicContact CB-CE1 4.28Å; F600-Y711 HydrophobicContact CB-CE2 4.28Å; F600-Y711 HydrophobicContact CB-CG 3.64Å; G601-Y711 VanDerWaalsContact N-CD2 3.27Å; A623-Y711 WeakPolarHBondContact CA-OH 3.4Å; A623-Y711 VanDerWaalsContact CB-OH 3.29Å; A623-Y711 WeakPolarHBondContact CB-OH 3.45Å; G624-Y711 PolarHBondContact N-OH 3.24Å; H694-Y711 AromaticContact CD2-CE2 3.81Å; H694-Y711 AromaticContact NE2-CE2 3.82Å; H694-Y711 AromaticContact NE2-CZ 3.79Å; H694-Y711 PolarHBondContact NE2-OH 3.39Å; G696-Y711 VanDerWaalsContact C-CD1 3.43Å; G696-Y711 PolarHBondContact N-O 3.17Å; G696-Y711 VanDerWaalsContact O-CD1 3.24Å; G696-Y711 WeakPolarHBondContact O-CD1 3.21Å; G696-Y711 PolarHBondContact O-N 2.78Å; Y698-Y711 AromaticContact CD1-CD1 3.85Å; Y698-Y711 HydrophobicContact CD1-CD1 3.85Å |
| 712 | E | 98.2 | Very high | 95.1 | Very high | 116 Ų | 116 | 62.4 Ų | 62.4 | 54% | 0.542 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 152.4 | 171.3 | 57.5 | 172.5 | -130.3 | 0 | 0 | 110.5 | R693 H694 F695 | R693-E712 IonicContact CZ-OE2 2.78Å; R693-E712 IonicContact NH2-OE1 3.69Å; R693-E712 PolarHBondContact NH2-OE1 3.47Å; R693-E712 IonicContact NH2-OE2 3.79Å; R693-E712 PolarHBondContact NH2-OE2 2.91Å; H694-E712 CarbonylContact O-C 3.42Å; H694-E712 VanDerWaalsContact O-CA 3.23Å; H694-E712 WeakPolarHBondContact O-CA 3.46Å; F695-E712 HydrophobicContact CD1-CB 3.93Å; F695-E712 HydrophobicContact CE1-CB 4.27Å |
| 713 | G | 98.3 | Very high | 94.6 | Very high | 7 Ų | 7 | 59 Ų | 59 | 7% | 0.072 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 151.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | G601 R693 H694 | G601-G713 WeakPolarHBondContact O-CA 3.26Å; R693-G713 CarbonylContact C-O 3.4Å; R693-G713 VanDerWaalsContact CA-O 3.22Å; R693-G713 WeakPolarHBondContact CA-O 3.39Å; H694-G713 PolarHBondContact N-O 2.93Å; H694-G713 PolarHBondContact O-N 2.72Å |
| 714 | S | 98.6 | Very high | 93.9 | Very high | 46 Ų | 46 | 61 Ų | 61 | 32% | 0.322 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 136.2 | 175.6 | -176 | 0 | 0 | 0 | 0 | 109.9 | V603 | V603-S714 WeakPolarHBondContact CG2-O 3.43Å |
| 715 | S | 98.7 | Very high | 92.4 | Very high | 6 Ų | 6 | 62.1 Ų | 62.1 | 4% | 0.042 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -65.4 | 168.1 | 164.9 | 75.3 | 0 | 0 | 0 | 0 | 110.8 | I692 | I692-S715 PolarHBondContact N-OG 3.03Å; I692-S715 PolarHBondContact O-N 2.74Å |
| 716 | D | 98.6 | Very high | 90.4 | Very high | 103 Ų | 103 | 65 Ų | 65 | 55% | 0.551 | 35% | 0.353 | S | S | * | . | P | Polyproline II helix | trans | -64.5 | 160.9 | 161.3 | -71.5 | -22.2 | 0 | 0 | 0 | 109.5 | Q606 V607 | Q606-D716 HydrophobicContact CG-CB 4.19Å; Q606-D716 WeakPolarHBondContact CG-OD2 3.44Å; Q606-D716 PolarHBondContact NE2-OD1 3.03Å; Q606-D716 PolarHBondContact NE2-OD2 3.11Å; Q606-D716 VanDerWaalsContact NE2-OD2 3.1Å; V607-D716 HydrophobicContact CG2-CB 4.35Å |
| 717 | V | 98.5 | Very high | 88.1 | Confident | 80 Ų | 80 | 66.2 Ų | 66.2 | 49% | 0.485 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -74.1 | 133.4 | 173.3 | 178.9 | 0 | 0 | 0 | 0 | 109.2 | W650 Y690 | W650-V717 HydrophobicContact CH2-CB 4.46Å; W650-V717 HydrophobicContact CH2-CG1 4.02Å; W650-V717 HydrophobicContact CH2-CG2 3.73Å; W650-V717 HydrophobicContact CZ2-CG2 3.67Å; Y690-V717 WeakPolarHBondContact O-CA 3.34Å |
| 718 | F | 98.4 | Very high | 85.4 | Confident | 3 Ų | 3 | 72.1 Ų | 72.1 | 1% | 0.013 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 159.1 | 175 | 62 | -85.1 | 0 | 0 | 0 | 110.7 | V607 L608 P609 Y611 V617 W679 S689 Y690 I692 V720 | V607-F718 HydrophobicContact CB-CD1 4.14Å; V607-F718 HydrophobicContact CG1-CD1 4.24Å; V607-F718 HydrophobicContact CG1-CE1 4.32Å; V607-F718 HydrophobicContact CG2-CB 4.13Å; V607-F718 HydrophobicContact CG2-CD1 3.75Å; V607-F718 HydrophobicContact CG2-CG 4.26Å; L608-F718 WeakPolarHBondContact O-CB 2.95Å; P609-F718 WeakPolarHBondContact O-CA 3.22Å; Y611-F718 HydrophobicContact CD2-CB 4.35Å; Y611-F718 AromaticContact CD2-CD2 3.58Å; Y611-F718 HydrophobicContact CD2-CD2 3.58Å; Y611-F718 HydrophobicContact CD2-CE2 4.16Å; Y611-F718 HydrophobicContact CD2-CG 4.18Å; Y611-F718 HydrophobicContact CE2-CB 4.39Å; Y611-F718 HydrophobicContact CE2-CD2 4.02Å; Y611-F718 HydrophobicContact CE2-CG 4.24Å; V617-F718 HydrophobicContact CB-CZ 4.38Å; V617-F718 HydrophobicContact CG1-CE1 4.08Å; V617-F718 HydrophobicContact CG1-CE2 4.18Å; V617-F718 HydrophobicContact CG1-CZ 3.81Å; V617-F718 HydrophobicContact CG2-CD2 4.4Å; V617-F718 HydrophobicContact CG2-CE2 3.63Å; V617-F718 HydrophobicContact CG2-CZ 3.93Å; W679-F718 HydrophobicContact CE3-CE2 4.03Å; W679-F718 AromaticContact CE3-CZ 3.81Å; W679-F718 HydrophobicContact CE3-CZ 3.81Å; W679-F718 AromaticContact CZ3-CE2 3.66Å; W679-F718 HydrophobicContact CZ3-CE2 3.66Å; W679-F718 AromaticContact CZ3-CZ 3.73Å; W679-F718 HydrophobicContact CZ3-CZ 3.73Å; S689-F718 CarbonylContact C-O 3.59Å; S689-F718 WeakPolarHBondContact CA-O 3.47Å; Y690-F718 VanDerWaalsContact CB-CZ 3.49Å; Y690-F718 HydrophobicContact CG-CE2 4.4Å; Y690-F718 PolarHBondContact N-O 3.07Å; Y690-F718 WeakPolarHBondContact O-CD1 3.28Å; Y690-F718 PolarHBondContact O-N 2.89Å; I692-F718 HydrophobicContact CG1-CE1 4.16Å; I692-F718 HydrophobicContact CG1-CZ 4.3Å; F718-V720 HydrophobicContact CD2-CG2 3.98Å; F718-V720 HydrophobicContact CE2-CG2 3.73Å |
| 719 | S | 97.6 | Very high | 82.8 | Confident | 24 Ų | 24 | 75 Ų | 75 | 17% | 0.168 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 142.5 | 178.9 | 60 | 0 | 0 | 0 | 0 | 111.6 | P609 V610 Y611 G688 | P609-S719 PolarHBondContact O-N 3.31Å; P609-S719 PolarHBondContact O-OG 3.22Å; V610-S719 CarbonylContact C-O 3.34Å; V610-S719 WeakPolarHBondContact CA-O 2.96Å; Y611-S719 PolarHBondContact N-O 3.03Å; G688-S719 WeakPolarHBondContact O-CA 3.48Å |
| 720 | V | 97.6 | Very high | 79.7 | Confident | 6 Ų | 6 | 81.8 Ų | 81.8 | 4% | 0.036 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 135.1 | 173.5 | 177.4 | 0 | 0 | 0 | 0 | 108.8 | Y611 Q613 W679 I681 A687 G688 Y690 F718 | Y611-V720 WeakPolarHBondContact O-CA 3.24Å; Q613-V720 HydrophobicContact CG-CG1 4.34Å; W679-V720 HydrophobicContact CH2-CG2 4.12Å; W679-V720 HydrophobicContact CZ3-CG2 3.96Å; I681-V720 HydrophobicContact CD1-CG1 4.17Å; I681-V720 HydrophobicContact CD1-CG2 3.82Å; I681-V720 HydrophobicContact CG2-CG1 3.71Å; A687-V720 CarbonylContact C-O 3.34Å; A687-V720 WeakPolarHBondContact CA-O 3.27Å; G688-V720 PolarHBondContact N-O 2.95Å; G688-V720 PolarHBondContact O-N 2.88Å; Y690-V720 HydrophobicContact CD2-CB 3.77Å; Y690-V720 HydrophobicContact CD2-CG2 3.52Å; Y690-V720 HydrophobicContact CE2-CB 3.7Å; Y690-V720 HydrophobicContact CE2-CG1 4.48Å; Y690-V720 HydrophobicContact CE2-CG2 3.9Å; Y690-V720 HydrophobicContact CG-CG2 4.26Å; F718-V720 HydrophobicContact CD2-CG2 3.98Å; F718-V720 HydrophobicContact CE2-CG2 3.73Å |
| 721 | G | 93.6 | Very high | 76.7 | Confident | 14 Ų | 14 | 82.9 Ų | 82.9 | 14% | 0.144 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | -177.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y611 R612 Q613 S723 | Y611-G721 PolarHBondContact O-N 3.16Å; R612-G721 CarbonylContact C-O 3.47Å; R612-G721 VanDerWaalsContact CA-O 3.28Å; R612-G721 WeakPolarHBondContact CA-O 3.47Å; Q613-G721 PolarHBondContact N-O 2.78Å; G721-S723 VanDerWaalsContact C-N 3.32Å |
| 722 | S | 86.1 | Confident | 73.7 | Confident | 102 Ų | 102 | 87.5 Ų | 87.5 | 71% | 0.713 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -78.3 | -13.8 | 177.8 | 57.3 | 0 | 0 | 0 | 0 | 113.7 | ||
| 723 | S | 77.4 | Confident | 70.8 | Confident | 49 Ų | 49 | 89.9 Ų | 89.9 | 34% | 0.343 | 48% | 0.482 | S | S | . | . | S | Bend | trans | -148.3 | 162.1 | 177.1 | 86.7 | 0 | 0 | 0 | 0 | 110.8 | G721 Y725 | G721-S723 VanDerWaalsContact C-N 3.32Å; S723-Y725 PolarHBondContact O-N 3.13Å; S723-Y725 PolarHBondContact OG-N 3.06Å; S723-Y725 PolarHBondContact OG-O 2.03Å |
| 724 | Y | 73.7 | Confident | 67.6 | Low | 111 Ų | 111 | 95.9 Ų | 95.9 | 44% | 0.435 | 51% | 0.512 | S | S | . | . | S | Bend | trans | -72.8 | -6.5 | 173.7 | -69.1 | -42.4 | 0 | 0 | 0 | 113.1 | V610 R612 D615 | V610-Y724 HydrophobicContact CG1-CD1 4.2Å; R612-Y724 HydrophobicContact CB-CE1 4.24Å; R612-Y724 HydrophobicContact CG-CD1 3.66Å; R612-Y724 HydrophobicContact CG-CE1 3.49Å; R612-Y724 VanDerWaalsContact CG-CE1 3.49Å; R612-Y724 HydrophobicContact CG-CE2 4.41Å; R612-Y724 HydrophobicContact CG-CG 4.16Å; R612-Y724 VanDerWaalsContact NE-CZ 3.29Å; D615-Y724 PolarHBondContact OD1-OH 2.81Å; D615-Y724 WeakPolarHBondContact OD2-CE1 3.48Å; D615-Y724 PolarHBondContact OD2-OH 2.92Å |
| 725 | Y | 56.4 | Low | 64.6 | Low | 197 Ų | 197 | 102.4 Ų | 102.4 | 77% | 0.773 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -87.3 | 123.3 | 177.9 | -67.2 | -76.5 | 0 | 0 | 0 | 109.6 | S723 S727 | S723-Y725 PolarHBondContact O-N 3.13Å; S723-Y725 PolarHBondContact OG-N 3.06Å; S723-Y725 PolarHBondContact OG-O 2.03Å; Y725-S727 PolarHBondContact O-N 2.91Å |
| 726 | H | 48.9 | Very low | 61.6 | Low | 137 Ų | 137 | 109.1 Ų | 109.1 | 63% | 0.634 | 57% | 0.573 | S | S | * | * | trans | -58.8 | 118.5 | 158 | -87.5 | -26.1 | 0 | 0 | 0 | 107.7 | H728 | H726-H728 VanDerWaalsContact C-N 3.27Å; H726-H728 PolarHBondContact O-N 3.47Å | ||
| 727 | S | 42.8 | Very low | 58.6 | Low | 107 Ų | 107 | 113.3 Ų | 113.3 | 75% | 0.748 | 61% | 0.611 | S | S | * | * | trans | -60.4 | 100.4 | 158.1 | 53.2 | 0 | 0 | 0 | 0 | 106.6 | Y725 D729 | Y725-S727 PolarHBondContact O-N 2.91Å; S727-D729 PolarHBondContact O-N 2.95Å | ||
| 728 | H | 40.5 | Very low | 56.6 | Low | 169 Ų | 169 | 115 Ų | 115 | 78% | 0.782 | 62% | 0.617 | S | S | * | * | trans | -65.3 | 74.9 | 163 | -83.9 | 17.8 | 0 | 0 | 0 | 108.2 | H726 | H726-H728 VanDerWaalsContact C-N 3.27Å; H726-H728 PolarHBondContact O-N 3.47Å | ||
| 729 | D | 40.9 | Very low | 54.4 | Low | 150 Ų | 150 | 120.9 Ų | 120.9 | 80% | 0.802 | 65% | 0.649 | S | S | * | * | trans | -127.7 | 65.9 | 161.1 | -87.7 | -30.8 | 0 | 0 | 0 | 107.4 | S727 | S727-D729 PolarHBondContact O-N 2.95Š| ||
| 730 | Q | 32.8 | Very low | 52 | Low | 175 Ų | 175 | 126.3 Ų | 126.3 | 82% | 0.818 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -114.4 | 131.5 | 147 | -77 | -134.3 | -28.4 | 0 | 0 | 107.5 | V732 | Q730-V732 PolarHBondContact O-N 3.18Å; Q730-V732 VanDerWaalsContact O-N 3.15Å |
| 731 | P | 35.5 | Very low | 49.3 | Very low | 111 Ų | 111 | 133.4 Ų | 133.4 | 72% | 0.721 | 71% | 0.713 | S | S | * | * | trans | -66 | 119.4 | -179.9 | 26.8 | -30.4 | 0 | 0 | 0 | 108.5 | H733 | P731-H733 VanDerWaalsContact C-N 3.35Å; P731-H733 PolarHBondContact O-N 3.18Å | ||
| 732 | V | 34.3 | Very low | 46.5 | Very low | 124 Ų | 124 | 140.8 Ų | 140.8 | 75% | 0.752 | 75% | 0.748 | S | S | * | * | trans | -60.8 | 100.5 | 165.9 | 179.7 | 0 | 0 | 0 | 0 | 106.9 | Q730 N734 | Q730-V732 PolarHBondContact O-N 3.18Å; Q730-V732 VanDerWaalsContact O-N 3.15Å; V732-N734 PolarHBondContact O-N 3.34Å | ||
| 733 | H | 36.8 | Very low | 43.9 | Very low | 167 Ų | 167 | 143.4 Ų | 143.4 | 77% | 0.773 | 75% | 0.751 | S | S | * | * | trans | -67.3 | 92.8 | 160.6 | -88 | -63.3 | 0 | 0 | 0 | 107.5 | P731 H735 | P731-H733 VanDerWaalsContact C-N 3.35Å; P731-H733 PolarHBondContact O-N 3.18Å; H733-H735 PolarHBondContact O-N 2.83Å | ||
| 734 | N | 31.7 | Very low | 41.5 | Very low | 132 Ų | 132 | 150.1 Ų | 150.1 | 71% | 0.706 | 78% | 0.78 | S | S | * | * | trans | -58.9 | 103 | 162.2 | -91.3 | -16.3 | 0 | 0 | 0 | 108.4 | V732 N736 | V732-N734 PolarHBondContact O-N 3.34Å; N734-N736 PolarHBondContact O-N 3.36Å | ||
| 735 | H | 35.2 | Very low | 39 | Very low | 183 Ų | 183 | 153.2 Ų | 153.2 | 85% | 0.847 | 81% | 0.806 | S | S | * | * | trans | -78.2 | 96.7 | 154.7 | -90 | -60.1 | 0 | 0 | 0 | 108.2 | H733 | H733-H735 PolarHBondContact O-N 2.83Š| ||
| 736 | N | 35.9 | Very low | 37.5 | Very low | 148 Ų | 148 | 149.5 Ų | 149.5 | 79% | 0.791 | 81% | 0.809 | S | S | * | * | trans | -96.6 | 117.7 | 156 | -100.1 | -10.8 | 0 | 0 | 0 | 107.9 | N734 | N734-N736 PolarHBondContact O-N 3.36Š| ||
| 737 | S | 35.1 | Very low | 36.5 | Very low | 191 Ų | 191 | 150.6 Ų | 150.6 | 100% | 1.336 | 83% | 0.825 | S | S | * | * | trans | 129.1 | 0 | 158 | 74 | 0 | 0 | 0 | 0 | 113 |
Retrieved 737 of 737 residues in 480.4 ms
(Link to these results)