| 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 | 45.5 | Very low | 49.1 | Very low | 165 Ų | 165 | 107.2 Ų | 107.2 | 81% | 0.813 | 57% | 0.574 | S | S | * | * | 0 | 132.8 | 0 | -68.2 | 159.4 | 69.3 | 0 | 0 | 108 | |||||
| 2 | S | 40.7 | Very low | 50.1 | Low | 77 Ų | 77 | 106.8 Ų | 106.8 | 54% | 0.538 | 57% | 0.57 | S | S | . | * | trans | -87.5 | 140.9 | -170.4 | 41.2 | 0 | 0 | 0 | 0 | 113.4 | T4 Q5 | S2-T4 PolarHBondContact O-N 2.98Å; S2-T4 VanDerWaalsContact O-N 3.12Å; S2-Q5 PolarHBondContact O-N 3Å | ||
| 3 | H | 45.3 | Very low | 51.1 | Low | 168 Ų | 168 | 106.2 Ų | 106.2 | 78% | 0.778 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -51.7 | -35.8 | -179.7 | -119.4 | -109.1 | 0 | 0 | 0 | 113.2 | Q5 A6 H7 | H3-Q5 VanDerWaalsContact C-N 3.27Å; H3-Q5 PolarHBondContact O-N 2.71Å; H3-A6 PolarHBondContact O-N 2.93Å; H3-H7 PolarHBondContact O-N 2.8Å |
| 4 | T | 48.8 | Very low | 52.1 | Low | 102 Ų | 102 | 108.3 Ų | 108.3 | 63% | 0.626 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -53 | -40.5 | -179.4 | -26.3 | 0 | 0 | 0 | 0 | 113.1 | S2 H7 S8 | S2-T4 PolarHBondContact O-N 2.98Å; S2-T4 VanDerWaalsContact O-N 3.12Å; T4-H7 WeakPolarHBondContact O-CB 3.26Å; T4-H7 PolarHBondContact O-N 3.02Å; T4-S8 PolarHBondContact O-N 3.38Å; T4-S8 PolarHBondContact O-OG 2.7Å |
| 5 | Q | 44 | Very low | 52.3 | Low | 97 Ų | 97 | 105.3 Ų | 105.3 | 45% | 0.453 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -74 | -36.1 | -173.2 | -157.1 | 176.6 | 17 | 0 | 0 | 112.1 | S2 H3 H7 Y9 | S2-Q5 PolarHBondContact O-N 3Å; H3-Q5 VanDerWaalsContact C-N 3.27Å; H3-Q5 PolarHBondContact O-N 2.71Å; Q5-H7 VanDerWaalsContact C-N 3.34Å; Q5-Y9 HydrophobicContact CG-CE2 4.03Å; Q5-Y9 WeakPolarHBondContact O-CD2 3.42Å; Q5-Y9 PolarHBondContact O-N 2.94Å |
| 6 | A | 48.9 | Very low | 53.5 | Low | 62 Ų | 62 | 102.5 Ų | 102.5 | 51% | 0.512 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -65.1 | -40.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | H3 S8 Y9 T10 | H3-A6 PolarHBondContact O-N 2.93Å; A6-S8 PolarHBondContact O-N 3.23Å; A6-Y9 PolarHBondContact O-N 3.27Å; A6-T10 PolarHBondContact O-N 3.43Å; A6-T10 PolarHBondContact O-OG1 3.34Å; A6-T10 VanDerWaalsContact O-OG1 3.05Å |
| 7 | H | 49.1 | Very low | 54.3 | Low | 139 Ų | 139 | 100.6 Ų | 100.6 | 64% | 0.644 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -59.5 | -44.7 | 178.9 | -125.2 | -110.9 | 0 | 0 | 0 | 112.7 | H3 T4 Q5 Y9 T10 L11 | H3-H7 PolarHBondContact O-N 2.8Å; T4-H7 WeakPolarHBondContact O-CB 3.26Å; T4-H7 PolarHBondContact O-N 3.02Å; Q5-H7 VanDerWaalsContact C-N 3.34Å; H7-Y9 PolarHBondContact O-N 2.95Å; H7-T10 PolarHBondContact O-N 3.06Å; H7-L11 WeakPolarHBondContact O-CB 3.39Å; H7-L11 PolarHBondContact O-N 3.3Å |
| 8 | S | 52.4 | Low | 54.7 | Low | 64 Ų | 64 | 101.8 Ų | 101.8 | 45% | 0.448 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62.8 | -42 | 178.4 | -61 | 0 | 0 | 0 | 0 | 113 | T4 A6 L11 I12 | T4-S8 PolarHBondContact O-N 3.38Å; T4-S8 PolarHBondContact O-OG 2.7Å; A6-S8 PolarHBondContact O-N 3.23Å; S8-L11 PolarHBondContact O-N 3.46Å; S8-I12 VanDerWaalsContact O-CG1 3.31Å; S8-I12 WeakPolarHBondContact O-CG1 3.48Å; S8-I12 PolarHBondContact O-N 3.11Å |
| 9 | Y | 54.6 | Low | 55.3 | Low | 121 Ų | 121 | 101.9 Ų | 101.9 | 48% | 0.475 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -65.7 | -42.8 | 175.7 | -69 | -59 | 0 | 0 | 0 | 111.9 | Q5 A6 H7 L11 I12 T13 L167 | Q5-Y9 HydrophobicContact CG-CE2 4.03Å; Q5-Y9 WeakPolarHBondContact O-CD2 3.42Å; Q5-Y9 PolarHBondContact O-N 2.94Å; A6-Y9 PolarHBondContact O-N 3.27Å; H7-Y9 PolarHBondContact O-N 2.95Å; Y9-L11 VanDerWaalsContact C-N 3.28Å; Y9-L11 PolarHBondContact O-N 3Å; Y9-I12 PolarHBondContact O-N 3.39Å; Y9-T13 PolarHBondContact O-N 3.44Å; Y9-T13 PolarHBondContact O-OG1 3.42Å; Y9-T13 VanDerWaalsContact O-OG1 3.13Å; Y9-L167 HydrophobicContact CE2-CD1 4.24Å |
| 10 | T | 57.3 | Low | 55.8 | Low | 73 Ų | 73 | 99 Ų | 99 | 45% | 0.448 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.6 | -38.3 | 174.7 | -55.1 | 0 | 0 | 0 | 0 | 112 | A6 H7 K14 | A6-T10 PolarHBondContact O-N 3.43Å; A6-T10 PolarHBondContact O-OG1 3.34Å; A6-T10 VanDerWaalsContact O-OG1 3.05Å; H7-T10 PolarHBondContact O-N 3.06Å; T10-K14 HydrophobicContact CG2-CD 4.3Å; T10-K14 WeakPolarHBondContact O-CB 3.45Å; T10-K14 VanDerWaalsContact O-CG 3.31Å; T10-K14 WeakPolarHBondContact O-CG 3.46Å; T10-K14 PolarHBondContact O-N 2.94Å |
| 11 | L | 53.3 | Low | 56.2 | Low | 111 Ų | 111 | 98.3 Ų | 98.3 | 58% | 0.581 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -67.2 | -45.4 | 177.7 | -170.5 | 65.9 | 0 | 0 | 0 | 111.7 | H7 S8 Y9 T13 K14 C15 | H7-L11 WeakPolarHBondContact O-CB 3.39Å; H7-L11 PolarHBondContact O-N 3.3Å; S8-L11 PolarHBondContact O-N 3.46Å; Y9-L11 VanDerWaalsContact C-N 3.28Å; Y9-L11 PolarHBondContact O-N 3Å; L11-T13 PolarHBondContact O-N 2.98Å; L11-K14 PolarHBondContact O-N 2.7Å; L11-C15 PolarHBondContact O-N 3.35Å; L11-C15 PolarHBondContact O-SG 3.28Å; L11-C15 VanDerWaalsContact O-SG 3.34Å |
| 12 | I | 60.9 | Low | 56.7 | Low | 103 Ų | 103 | 96 Ų | 96 | 53% | 0.528 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.8 | -47.5 | 176.6 | -67.6 | 162.5 | 0 | 0 | 0 | 110.7 | S8 Y9 K14 C15 V16 | S8-I12 VanDerWaalsContact O-CG1 3.31Å; S8-I12 WeakPolarHBondContact O-CG1 3.48Å; S8-I12 PolarHBondContact O-N 3.11Å; Y9-I12 PolarHBondContact O-N 3.39Å; I12-K14 VanDerWaalsContact C-N 3.31Å; I12-K14 PolarHBondContact O-N 3.07Å; I12-C15 PolarHBondContact O-N 3.31Å; I12-V16 HydrophobicContact CG2-CG2 4.49Å; I12-V16 WeakPolarHBondContact O-CG2 3.32Å; I12-V16 PolarHBondContact O-N 2.88Å |
| 13 | T | 63.4 | Low | 57.4 | Low | 98 Ų | 98 | 98.1 Ų | 98.1 | 60% | 0.601 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.3 | -37.7 | 177.2 | -55.9 | 0 | 0 | 0 | 0 | 112.1 | Y9 L11 C17 | Y9-T13 PolarHBondContact O-N 3.44Å; Y9-T13 PolarHBondContact O-OG1 3.42Å; Y9-T13 VanDerWaalsContact O-OG1 3.13Å; L11-T13 PolarHBondContact O-N 2.98Å; T13-C17 VanDerWaalsContact O-CB 3.23Å; T13-C17 WeakPolarHBondContact O-CB 3.33Å; T13-C17 PolarHBondContact O-N 3.09Å |
| 14 | K | 65.6 | Low | 57.7 | Low | 136 Ų | 136 | 94.9 Ų | 94.9 | 59% | 0.591 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66.7 | -43.5 | 174.7 | -78.9 | 179.8 | 175.9 | -172.8 | 0 | 112.6 | T10 L11 I12 C17 M18 | T10-K14 HydrophobicContact CG2-CD 4.3Å; T10-K14 WeakPolarHBondContact O-CB 3.45Å; T10-K14 VanDerWaalsContact O-CG 3.31Å; T10-K14 WeakPolarHBondContact O-CG 3.46Å; T10-K14 PolarHBondContact O-N 2.94Å; L11-K14 PolarHBondContact O-N 2.7Å; I12-K14 VanDerWaalsContact C-N 3.31Å; I12-K14 PolarHBondContact O-N 3.07Å; K14-C17 PolarHBondContact O-N 3.45Å; K14-M18 WeakPolarHBondContact O-CB 3.21Å; K14-M18 PolarHBondContact O-N 3.26Å |
| 15 | C | 55.2 | Low | 57.8 | Low | 64 Ų | 64 | 93.2 Ų | 93.2 | 43% | 0.432 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.9 | -45 | 176.8 | -68.4 | 0 | 0 | 0 | 0 | 111.8 | L11 I12 C17 M18 I19 | L11-C15 PolarHBondContact O-N 3.35Å; L11-C15 PolarHBondContact O-SG 3.28Å; L11-C15 VanDerWaalsContact O-SG 3.34Å; I12-C15 PolarHBondContact O-N 3.31Å; C15-C17 PolarHBondContact O-N 3.03Å; C15-M18 PolarHBondContact O-N 3.5Å; C15-I19 VanDerWaalsContact O-CG1 3.29Å; C15-I19 WeakPolarHBondContact O-CG1 3.23Å; C15-I19 PolarHBondContact O-N 2.71Å |
| 16 | V | 70.8 | Confident | 58 | Low | 60 Ų | 60 | 93.5 Ų | 93.5 | 36% | 0.364 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.7 | -45.6 | 175.4 | 170.2 | 0 | 0 | 0 | 0 | 110.6 | I12 I19 I20 F156 | I12-V16 HydrophobicContact CG2-CG2 4.49Å; I12-V16 WeakPolarHBondContact O-CG2 3.32Å; I12-V16 PolarHBondContact O-N 2.88Å; V16-I19 PolarHBondContact O-N 2.9Å; V16-I20 HydrophobicContact CG1-CD1 3.77Å; V16-I20 VanDerWaalsContact O-CD1 3.3Å; V16-I20 WeakPolarHBondContact O-CD1 3.39Å; V16-I20 WeakPolarHBondContact O-CG1 3.42Å; V16-I20 PolarHBondContact O-N 3.27Å; V16-F156 HydrophobicContact CG1-CE1 3.81Å; V16-F156 HydrophobicContact CG1-CZ 4.4Å |
| 17 | C | 66.6 | Low | 57.9 | Low | 71 Ų | 71 | 93.3 Ų | 93.3 | 48% | 0.48 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59 | -47.9 | 175.1 | -170 | 0 | 0 | 0 | 0 | 112 | T13 K14 C15 I19 I20 T21 | T13-C17 VanDerWaalsContact O-CB 3.23Å; T13-C17 WeakPolarHBondContact O-CB 3.33Å; T13-C17 PolarHBondContact O-N 3.09Å; K14-C17 PolarHBondContact O-N 3.45Å; C15-C17 PolarHBondContact O-N 3.03Å; C17-I19 PolarHBondContact O-N 3Å; C17-I20 WeakPolarHBondContact O-CB 3.42Å; C17-I20 PolarHBondContact O-N 3.5Å; C17-T21 PolarHBondContact O-N 2.8Å; C17-T21 PolarHBondContact O-OG1 2.86Å; C17-T21 VanDerWaalsContact O-OG1 3.05Å |
| 18 | M | 62.5 | Low | 57.5 | Low | 122 Ų | 122 | 94.5 Ų | 94.5 | 60% | 0.601 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -60.4 | -42 | 177.2 | -81.1 | -171.1 | 68.3 | 0 | 0 | 112.9 | K14 C15 I20 T21 Q22 | K14-M18 WeakPolarHBondContact O-CB 3.21Å; K14-M18 PolarHBondContact O-N 3.26Å; C15-M18 PolarHBondContact O-N 3.5Å; M18-I20 VanDerWaalsContact C-N 3.32Å; M18-I20 PolarHBondContact O-N 2.62Å; M18-T21 PolarHBondContact O-N 2.83Å; M18-Q22 WeakPolarHBondContact O-CB 3.36Å; M18-Q22 WeakPolarHBondContact O-CG 3.48Å; M18-Q22 PolarHBondContact O-N 2.86Å |
| 19 | I | 66.8 | Low | 57 | Low | 103 Ų | 103 | 95.6 Ų | 95.6 | 53% | 0.528 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.5 | -42.3 | 177.3 | -69.1 | 163.2 | 0 | 0 | 0 | 110.4 | C15 V16 C17 Q22 L23 | C15-I19 VanDerWaalsContact O-CG1 3.29Å; C15-I19 WeakPolarHBondContact O-CG1 3.23Å; C15-I19 PolarHBondContact O-N 2.71Å; V16-I19 PolarHBondContact O-N 2.9Å; C17-I19 PolarHBondContact O-N 3Å; I19-Q22 PolarHBondContact O-N 3.5Å; I19-L23 HydrophobicContact CG2-CD1 4.02Å; I19-L23 WeakPolarHBondContact O-CB 3.36Å; I19-L23 VanDerWaalsContact O-CG 3.27Å; I19-L23 WeakPolarHBondContact O-CG 3.24Å; I19-L23 PolarHBondContact O-N 3.48Å |
| 20 | I | 65.3 | Low | 56.5 | Low | 44 Ų | 44 | 98.8 Ų | 98.8 | 23% | 0.226 | 56% | 0.559 | C | S | . | * | H | α-helix | trans | -62.2 | -47.9 | 175.2 | -64.5 | 158.9 | 0 | 0 | 0 | 110.7 | V16 C17 M18 Q22 L23 F24 F156 | V16-I20 HydrophobicContact CG1-CD1 3.77Å; V16-I20 VanDerWaalsContact O-CD1 3.3Å; V16-I20 WeakPolarHBondContact O-CD1 3.39Å; V16-I20 WeakPolarHBondContact O-CG1 3.42Å; V16-I20 PolarHBondContact O-N 3.27Å; C17-I20 WeakPolarHBondContact O-CB 3.42Å; C17-I20 PolarHBondContact O-N 3.5Å; M18-I20 VanDerWaalsContact C-N 3.32Å; M18-I20 PolarHBondContact O-N 2.62Å; I20-Q22 PolarHBondContact O-N 2.94Å; I20-L23 PolarHBondContact O-N 3.19Å; I20-F24 HydrophobicContact CG2-CD2 3.65Å; I20-F24 HydrophobicContact CG2-CE2 3.52Å; I20-F24 VanDerWaalsContact O-CD2 3.23Å; I20-F24 WeakPolarHBondContact O-CD2 3.24Å; I20-F24 PolarHBondContact O-N 3.24Å; I20-F156 HydrophobicContact CD1-CD1 4.46Å; I20-F156 HydrophobicContact CD1-CD2 4.13Å; I20-F156 HydrophobicContact CD1-CE1 3.86Å; I20-F156 HydrophobicContact CD1-CE2 3.49Å; I20-F156 VanDerWaalsContact CD1-CE2 3.49Å; I20-F156 HydrophobicContact CD1-CZ 3.35Å; I20-F156 HydrophobicContact CG1-CE2 4.1Å; I20-F156 HydrophobicContact CG1-CZ 3.96Å |
| 21 | T | 62.7 | Low | 55.4 | Low | 85 Ų | 85 | 101.7 Ų | 101.7 | 52% | 0.521 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -64.9 | -36.3 | 179 | -52.3 | 0 | 0 | 0 | 0 | 112.6 | C17 M18 F24 A25 | C17-T21 PolarHBondContact O-N 2.8Å; C17-T21 PolarHBondContact O-OG1 2.86Å; C17-T21 VanDerWaalsContact O-OG1 3.05Å; M18-T21 PolarHBondContact O-N 2.83Å; T21-F24 PolarHBondContact O-N 3.44Å; T21-A25 WeakPolarHBondContact O-CB 3.48Å; T21-A25 PolarHBondContact O-N 2.85Å |
| 22 | Q | 56.3 | Low | 54.3 | Low | 116 Ų | 116 | 102.5 Ų | 102.5 | 54% | 0.542 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -62.8 | -47.2 | 173.2 | -73.4 | -88.8 | -10.7 | 0 | 0 | 111.2 | M18 I19 I20 F24 A25 S26 | M18-Q22 WeakPolarHBondContact O-CB 3.36Å; M18-Q22 WeakPolarHBondContact O-CG 3.48Å; M18-Q22 PolarHBondContact O-N 2.86Å; I19-Q22 PolarHBondContact O-N 3.5Å; I20-Q22 PolarHBondContact O-N 2.94Å; Q22-F24 VanDerWaalsContact C-N 3.33Å; Q22-F24 PolarHBondContact O-N 3.12Å; Q22-A25 PolarHBondContact O-N 3.18Å; Q22-S26 PolarHBondContact O-N 2.98Å; Q22-S26 PolarHBondContact O-OG 2.8Å |
| 23 | L | 54.8 | Low | 52.9 | Low | 122 Ų | 122 | 104.5 Ų | 104.5 | 64% | 0.639 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -61.7 | -39.1 | 176.2 | -70.7 | 166.8 | 0 | 0 | 0 | 112.2 | I19 I20 G27 | I19-L23 HydrophobicContact CG2-CD1 4.02Å; I19-L23 WeakPolarHBondContact O-CB 3.36Å; I19-L23 VanDerWaalsContact O-CG 3.27Å; I19-L23 WeakPolarHBondContact O-CG 3.24Å; I19-L23 PolarHBondContact O-N 3.48Å; I20-L23 PolarHBondContact O-N 3.19Å; L23-G27 PolarHBondContact O-N 2.63Å |
| 24 | F | 52.9 | Low | 51.7 | Low | 100 Ų | 100 | 108.5 Ų | 108.5 | 44% | 0.439 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -68.7 | -38.1 | 173.2 | -81.4 | -63 | 0 | 0 | 0 | 113.2 | I20 T21 Q22 S26 G27 H28 V149 | I20-F24 HydrophobicContact CG2-CD2 3.65Å; I20-F24 HydrophobicContact CG2-CE2 3.52Å; I20-F24 VanDerWaalsContact O-CD2 3.23Å; I20-F24 WeakPolarHBondContact O-CD2 3.24Å; I20-F24 PolarHBondContact O-N 3.24Å; T21-F24 PolarHBondContact O-N 3.44Å; Q22-F24 VanDerWaalsContact C-N 3.33Å; Q22-F24 PolarHBondContact O-N 3.12Å; F24-S26 VanDerWaalsContact C-N 3.35Å; F24-S26 PolarHBondContact O-N 3.38Å; F24-G27 CarbonylContact O-C 3.6Å; F24-G27 WeakPolarHBondContact O-CA 3.43Å; F24-G27 PolarHBondContact O-N 2.72Å; F24-H28 PolarHBondContact O-N 3.28Å; F24-V149 HydrophobicContact CE1-CG2 3.65Å; F24-V149 HydrophobicContact CZ-CG2 3.73Å |
| 25 | A | 50.6 | Low | 50.2 | Low | 67 Ų | 67 | 109.7 Ų | 109.7 | 55% | 0.554 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -62.9 | -40.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | T21 Q22 G27 H28 | T21-A25 WeakPolarHBondContact O-CB 3.48Å; T21-A25 PolarHBondContact O-N 2.85Å; Q22-A25 PolarHBondContact O-N 3.18Å; A25-G27 PolarHBondContact O-N 3.45Å; A25-H28 PolarHBondContact O-N 2.86Å |
| 26 | S | 47.4 | Very low | 49.6 | Very low | 102 Ų | 102 | 110 Ų | 110 | 71% | 0.713 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -65.6 | -20.6 | 170.9 | -56.4 | 0 | 0 | 0 | 0 | 113.7 | Q22 F24 | Q22-S26 PolarHBondContact O-N 2.98Å; Q22-S26 PolarHBondContact O-OG 2.8Å; F24-S26 VanDerWaalsContact C-N 3.35Å; F24-S26 PolarHBondContact O-N 3.38Å |
| 27 | G | 46.7 | Very low | 47.7 | Very low | 58 Ų | 58 | 116.8 Ų | 116.8 | 60% | 0.598 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.6 | 15.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | L23 F24 A25 | L23-G27 PolarHBondContact O-N 2.63Å; F24-G27 CarbonylContact O-C 3.6Å; F24-G27 WeakPolarHBondContact O-CA 3.43Å; F24-G27 PolarHBondContact O-N 2.72Å; A25-G27 PolarHBondContact O-N 3.45Å |
| 28 | H | 42.2 | Very low | 46.8 | Very low | 164 Ų | 164 | 121.4 Ų | 121.4 | 76% | 0.759 | 66% | 0.662 | S | S | * | * | trans | -128.4 | 10.3 | -179.1 | -104 | 30.8 | 0 | 0 | 0 | 115.1 | F24 A25 E30 | F24-H28 PolarHBondContact O-N 3.28Å; A25-H28 PolarHBondContact O-N 2.86Å; H28-E30 VanDerWaalsContact C-N 3.33Å; H28-E30 PolarHBondContact O-N 3.18Å | ||
| 29 | A | 41.1 | Very low | 45.3 | Very low | 88 Ų | 88 | 123.5 Ų | 123.5 | 73% | 0.727 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -90.2 | 35.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 30 | E | 43.8 | Very low | 43.9 | Very low | 187 Ų | 187 | 127.6 Ų | 127.6 | 87% | 0.874 | 68% | 0.684 | S | S | * | * | trans | -169.4 | 86 | 165.8 | -118.5 | 173.3 | -158.7 | 0 | 0 | 114.7 | H28 | H28-E30 VanDerWaalsContact C-N 3.33Å; H28-E30 PolarHBondContact O-N 3.18Å | ||
| 31 | E | 34.1 | Very low | 42.7 | Very low | 134 Ų | 134 | 130.8 Ų | 130.8 | 63% | 0.626 | 71% | 0.711 | S | S | * | * | S | Bend | -167.7 | 141.2 | 127.5 | -118.3 | -175.4 | -178.6 | 0 | 0 | 114.3 | K60 | E31-K60 IonicContact OE1-NZ 2.62Å; E31-K60 PolarHBondContact OE1-NZ 3.33Å | |
| 32 | M | 30.8 | Very low | 42 | Very low | 129 Ų | 129 | 133.3 Ų | 133.3 | 64% | 0.635 | 72% | 0.72 | S | S | * | * | trans | 57 | 79.3 | 157.1 | -51.5 | -156.8 | -150.4 | 0 | 0 | 121.2 | K34 | M32-K34 PolarHBondContact O-N 2.91Š| ||
| 33 | T | 30.7 | Very low | 41.3 | Very low | 145 Ų | 145 | 133.8 Ų | 133.8 | 89% | 0.89 | 73% | 0.731 | S | S | * | * | trans | -76.7 | 103.7 | 141.1 | -45.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 34 | K | 38.4 | Very low | 40.6 | Very low | 182 Ų | 182 | 132 Ų | 132 | 79% | 0.791 | 73% | 0.729 | S | S | * | * | trans | -93.5 | 103.9 | 165.5 | -89.2 | -173.1 | 177.2 | 176.5 | 0 | 109.7 | M32 | M32-K34 PolarHBondContact O-N 2.91Š| ||
| 35 | D | 34.9 | Very low | 40.5 | Very low | 161 Ų | 161 | 134.5 Ų | 134.5 | 86% | 0.861 | 75% | 0.745 | S | S | * | * | trans | -149.1 | 152.5 | 153.8 | -137.9 | -30 | 0 | 0 | 0 | 112.7 | K37 | D35-K37 PolarHBondContact O-N 3.38Š| ||
| 36 | G | 42.3 | Very low | 40.2 | Very low | 69 Ų | 69 | 139 Ų | 139 | 71% | 0.711 | 76% | 0.755 | S | S | * | * | trans | -96.9 | 90.9 | -158.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 37 | K | 31.3 | Very low | 39.9 | Very low | 204 Ų | 204 | 144.2 Ų | 144.2 | 89% | 0.887 | 76% | 0.76 | S | S | * | * | trans | -154.2 | 112.5 | 153.8 | -125.2 | 167.9 | -174 | 173 | 0 | 113.7 | D35 N39 | D35-K37 PolarHBondContact O-N 3.38Å; K37-N39 PolarHBondContact O-N 2.82Å | ||
| 38 | Q | 46.7 | Very low | 39.8 | Very low | 168 Ų | 168 | 147.9 Ų | 147.9 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | trans | -81.1 | 76.7 | -176 | -169.2 | 175.7 | 36.1 | 0 | 0 | 112.3 | R40 | Q38-R40 HydrophobicContact CG-CB 4.47Å; Q38-R40 PolarHBondContact O-N 3.39Å | ||
| 39 | N | 32.2 | Very low | 39.8 | Very low | 165 Ų | 165 | 144.7 Ų | 144.7 | 88% | 0.882 | 77% | 0.767 | S | S | * | * | trans | -92.3 | 83.4 | 164.5 | -120.2 | 18.7 | 0 | 0 | 0 | 109.4 | K37 S41 | K37-N39 PolarHBondContact O-N 2.82Å; N39-S41 PolarHBondContact O-N 3.02Å | ||
| 40 | R | 36.3 | Very low | 40 | Very low | 189 Ų | 189 | 145.3 Ų | 145.3 | 71% | 0.713 | 77% | 0.766 | S | S | * | * | trans | -74.6 | 84.9 | -174.8 | -168.9 | 179.7 | -167.8 | 167.2 | 2.4 | 110.5 | Q38 L42 | Q38-R40 HydrophobicContact CG-CB 4.47Å; Q38-R40 PolarHBondContact O-N 3.39Å; R40-L42 HydrophobicContact CG-CD2 4.43Å; R40-L42 PolarHBondContact O-N 2.85Å | ||
| 41 | S | 40.3 | Very low | 39.6 | Very low | 112 Ų | 112 | 143.2 Ų | 143.2 | 78% | 0.783 | 76% | 0.76 | S | S | * | * | trans | -62 | 104.4 | 170.8 | -165.9 | 0 | 0 | 0 | 0 | 109.3 | N39 V43 | N39-S41 PolarHBondContact O-N 3.02Å; S41-V43 PolarHBondContact O-N 3.43Å | ||
| 42 | L | 49 | Very low | 40.5 | Very low | 137 Ų | 137 | 141.7 Ų | 141.7 | 72% | 0.717 | 76% | 0.762 | S | S | * | * | trans | -78.6 | 88.2 | -175.9 | -79.2 | 165 | 0 | 0 | 0 | 110 | R40 S44 | R40-L42 HydrophobicContact CG-CD2 4.43Å; R40-L42 PolarHBondContact O-N 2.85Å; L42-S44 PolarHBondContact O-N 2.9Å; L42-S44 VanDerWaalsContact O-N 3.11Å | ||
| 43 | V | 40.7 | Very low | 41.6 | Very low | 127 Ų | 127 | 140.9 Ų | 140.9 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | trans | -59.2 | 114 | 158.6 | -179 | 0 | 0 | 0 | 0 | 107 | S41 I45 | S41-V43 PolarHBondContact O-N 3.43Å; V43-I45 PolarHBondContact O-N 2.72Å | ||
| 44 | S | 41 | Very low | 42.8 | Very low | 84 Ų | 84 | 141.1 Ų | 141.1 | 59% | 0.587 | 76% | 0.759 | S | S | * | * | trans | -64.9 | 118.8 | -171.5 | -174.2 | 0 | 0 | 0 | 0 | 111 | L42 H46 | L42-S44 PolarHBondContact O-N 2.9Å; L42-S44 VanDerWaalsContact O-N 3.11Å; S44-H46 PolarHBondContact O-N 3.35Å | ||
| 45 | I | 49.9 | Very low | 44.9 | Very low | 153 Ų | 153 | 137.7 Ų | 137.7 | 79% | 0.785 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | 41.6 | -175 | -38 | -179 | 0 | 0 | 0 | 111.2 | V43 | V43-I45 PolarHBondContact O-N 2.72Š|
| 46 | H | 45.3 | Very low | 47.5 | Very low | 162 Ų | 162 | 132.1 Ų | 132.1 | 75% | 0.75 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.2 | -19.9 | 174.3 | -97.5 | -85.4 | 0 | 0 | 0 | 113 | S44 | S44-H46 PolarHBondContact O-N 3.35Š|
| 47 | Y | 40.5 | Very low | 49.8 | Very low | 210 Ų | 210 | 131 Ų | 131 | 82% | 0.824 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | -11 | -171 | -153.1 | -98 | 0 | 0 | 0 | 115.2 | A49 | Y47-A49 VanDerWaalsContact C-N 3.29Š|
| 48 | L | 43.8 | Very low | 52.6 | Low | 136 Ų | 136 | 127.2 Ų | 127.2 | 71% | 0.712 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.6 | 4.4 | 175.5 | -64.9 | 178.5 | 0 | 0 | 0 | 113.6 | S50 | L48-S50 PolarHBondContact O-N 2.85Å; L48-S50 VanDerWaalsContact O-N 3.08Å |
| 49 | A | 42.3 | Very low | 54.8 | Low | 96 Ų | 96 | 119.8 Ų | 119.8 | 79% | 0.793 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | 11.4 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y47 | Y47-A49 VanDerWaalsContact C-N 3.29Š|
| 50 | S | 44.8 | Very low | 57.5 | Low | 101 Ų | 101 | 116.7 Ų | 116.7 | 71% | 0.706 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.5 | -1.8 | -173.6 | 57.5 | 0 | 0 | 0 | 0 | 115.3 | L48 | L48-S50 PolarHBondContact O-N 2.85Å; L48-S50 VanDerWaalsContact O-N 3.08Å |
| 51 | L | 37.1 | Very low | 60.1 | Low | 143 Ų | 143 | 110.4 Ų | 110.4 | 75% | 0.749 | 60% | 0.6 | S | S | * | * | trans | -89.9 | 119.2 | 176.1 | -93.6 | 165.3 | 0 | 0 | 0 | 111.4 | ||||
| 52 | P | 52.8 | Low | 62.3 | Low | 103 Ų | 103 | 107.5 Ų | 107.5 | 67% | 0.669 | 59% | 0.588 | S | S | * | * | trans | -74.6 | 130.5 | 179.2 | 28.3 | -33.1 | 0 | 0 | 0 | 112.5 | L54 | P52-L54 PolarHBondContact O-N 3.17Š| ||
| 53 | T | 53.7 | Low | 64.3 | Low | 111 Ų | 111 | 102.9 Ų | 102.9 | 68% | 0.681 | 57% | 0.57 | S | S | * | * | trans | 75.5 | 12.7 | 150.6 | 67 | 0 | 0 | 0 | 0 | 121.1 | R55 | T53-R55 PolarHBondContact O-N 2.95Š| ||
| 54 | L | 56 | Low | 66.7 | Low | 150 Ų | 150 | 100.6 Ų | 100.6 | 79% | 0.785 | 56% | 0.56 | S | S | * | * | trans | -74.7 | 79.6 | 161.9 | -133.9 | 80 | 0 | 0 | 0 | 110.5 | P52 D56 | P52-L54 PolarHBondContact O-N 3.17Å; L54-D56 WeakPolarHBondContact CG-OD1 3.2Å | ||
| 55 | R | 81.9 | Confident | 69.2 | Low | 111 Ų | 111 | 97.7 Ų | 97.7 | 42% | 0.419 | 54% | 0.538 | S | S | . | . | trans | -99.1 | 75.5 | 172.5 | -70.6 | -170.2 | -72 | -126.6 | -3.8 | 109.1 | T53 Y131 T132 I133 T134 | T53-R55 PolarHBondContact O-N 2.95Å; R55-Y131 HydrophobicContact CG-CE2 4.35Å; R55-T132 WeakPolarHBondContact CD-O 3.12Å; R55-T132 PolarHBondContact NE-O 3.32Å; R55-I133 HydrophobicContact CB-CG1 4.35Å; R55-I133 CarbonylContact O-C 3.5Å; R55-I133 WeakPolarHBondContact O-CA 3.33Å; R55-I133 WeakPolarHBondContact O-CG1 3.5Å; R55-T134 PolarHBondContact O-N 3.23Å | ||
| 56 | D | 88.9 | Confident | 71.3 | Confident | 43 Ų | 43 | 95.2 Ų | 95.2 | 23% | 0.23 | 53% | 0.526 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 152.3 | 175.1 | 61.6 | -21.9 | 0 | 0 | 0 | 112.8 | L54 T134 R136 | L54-D56 WeakPolarHBondContact CG-OD1 3.2Å; D56-T134 VanDerWaalsContact CA-O 3.23Å; D56-T134 WeakPolarHBondContact CA-O 3.29Å; D56-T134 WeakPolarHBondContact CB-O 3.44Å; D56-R136 IonicContact OD2-CZ 2.71Å; D56-R136 IonicContact OD2-NE 2.86Å; D56-R136 PolarHBondContact OD2-NE 3.22Å; D56-R136 IonicContact OD2-NH2 3.58Å; D56-R136 PolarHBondContact OD2-NH2 3.45Å |
| 57 | I | 91.4 | Very high | 73.5 | Confident | 46 Ų | 46 | 87.6 Ų | 87.6 | 24% | 0.236 | 49% | 0.491 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 143.7 | 178.5 | 52.1 | 171.8 | 0 | 0 | 0 | 109.3 | I67 I133 T134 L135 R136 | I57-I67 HydrophobicContact CD1-CD1 3.82Å; I57-I67 HydrophobicContact CD1-CG1 3.78Å; I57-I133 HydrophobicContact CD1-CD1 4.27Å; I57-I133 HydrophobicContact CG1-CD1 4.24Å; I57-I133 HydrophobicContact CG2-CD1 3.88Å; I57-T134 PolarHBondContact N-O 2.99Å; I57-L135 HydrophobicContact CD1-CD1 4Å; I57-L135 HydrophobicContact CG1-CD1 4.02Å; I57-R136 WeakPolarHBondContact O-CB 3.47Å; I57-R136 PolarHBondContact O-N 3.13Å |
| 58 | I | 90.9 | Very high | 75.9 | Confident | 125 Ų | 125 | 84.2 Ų | 84.2 | 64% | 0.641 | 48% | 0.483 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 119.1 | -179.9 | -59.7 | 171.9 | 0 | 0 | 0 | 108.1 | R136 A138 | I58-R136 WeakPolarHBondContact CA-O 3.2Å; I58-R136 HydrophobicContact CG1-CB 4.1Å; I58-A138 HydrophobicContact CG2-CB 3.69Å |
| 59 | V | 91.7 | Very high | 78.1 | Confident | 12 Ų | 12 | 78.6 Ų | 78.6 | 7% | 0.073 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 131.5 | -177.3 | -175.8 | 0 | 0 | 0 | 0 | 109.5 | A63 T65 V110 L135 R136 V137 A138 | V59-A63 HydrophobicContact CG1-CB 4.22Å; V59-T65 HydrophobicContact CG2-CG2 4.04Å; V59-T65 WeakPolarHBondContact CG2-OG1 3.46Å; V59-V110 HydrophobicContact CG1-CB 4.22Å; V59-V110 HydrophobicContact CG1-CG1 4.48Å; V59-V110 HydrophobicContact CG1-CG2 3.98Å; V59-L135 HydrophobicContact CB-CD1 4.04Å; V59-L135 HydrophobicContact CG2-CD1 3.55Å; V59-R136 PolarHBondContact N-O 3.28Å; V59-V137 CarbonylContact O-C 3.36Å; V59-V137 WeakPolarHBondContact O-CA 3.36Å; V59-A138 PolarHBondContact O-N 3.05Å |
| 60 | K | 90.3 | Very high | 80.3 | Confident | 100 Ų | 100 | 79.7 Ų | 79.7 | 44% | 0.435 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 133.2 | 175.9 | -74.2 | -178.1 | 166.1 | -169.3 | 0 | 109.8 | E31 A63 A138 V140 | E31-K60 IonicContact OE1-NZ 2.62Å; E31-K60 PolarHBondContact OE1-NZ 3.33Å; K60-A63 WeakPolarHBondContact O-CB 3.23Å; K60-A63 PolarHBondContact O-N 3.39Å; K60-A138 CarbonylContact C-O 3.54Å; K60-A138 WeakPolarHBondContact CA-O 3.4Å; K60-A138 HydrophobicContact CG-CB 4.28Å; K60-V140 HydrophobicContact CB-CG1 4.01Å; K60-V140 HydrophobicContact CB-CG2 3.96Å; K60-V140 HydrophobicContact CD-CG1 3.79Å; K60-V140 HydrophobicContact CG-CG1 3.72Å |
| 61 | E | 89.2 | Confident | 82.3 | Confident | 56 Ų | 56 | 76 Ų | 76 | 26% | 0.262 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | 139.1 | 176.3 | -176.4 | 163.1 | -129.7 | 0 | 0 | 111.7 | A63 F112 V137 A138 Y139 V140 | E61-A63 PolarHBondContact O-N 3.03Å; E61-F112 WeakPolarHBondContact OE1-CB 3.27Å; E61-F112 PolarHBondContact OE1-N 3.31Å; E61-V137 HydrophobicContact CB-CG1 3.83Å; E61-V137 HydrophobicContact CG-CG1 4.46Å; E61-A138 PolarHBondContact N-O 3.03Å; E61-Y139 WeakPolarHBondContact OE2-CD2 3.3Å; E61-Y139 VanDerWaalsContact OE2-CE2 3.28Å; E61-Y139 WeakPolarHBondContact OE2-CE2 3.03Å; E61-V140 HydrophobicContact CB-CG2 4.14Å; E61-V140 WeakPolarHBondContact O-CG2 3.47Å |
| 62 | G | 87.7 | Confident | 84.5 | Confident | 51 Ų | 51 | 76 Ų | 76 | 53% | 0.526 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.7 | -8.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | V110 | G62-V110 PolarHBondContact N-O 3.35Š|
| 63 | A | 90.1 | Very high | 85.9 | Confident | 40 Ų | 40 | 74.2 Ų | 74.2 | 33% | 0.331 | 43% | 0.426 | S | S | . | . | trans | -85.5 | 163.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | V59 K60 E61 V110 | V59-A63 HydrophobicContact CG1-CB 4.22Å; K60-A63 WeakPolarHBondContact O-CB 3.23Å; K60-A63 PolarHBondContact O-N 3.39Å; E61-A63 PolarHBondContact O-N 3.03Å; A63-V110 WeakPolarHBondContact O-CB 3.27Å; A63-V110 PolarHBondContact O-N 3.34Å | ||
| 64 | S | 92.2 | Very high | 87.4 | Confident | 80 Ų | 80 | 78 Ų | 78 | 56% | 0.559 | 43% | 0.433 | S | S | * | . | trans | -87.8 | 160.6 | 168.5 | 58.6 | 0 | 0 | 0 | 0 | 111.8 | I107 T108 | S64-I107 CarbonylContact C-O 3.58Å; S64-I107 VanDerWaalsContact CA-O 3.22Å; S64-I107 WeakPolarHBondContact CA-O 3.26Å; S64-I107 WeakPolarHBondContact CB-O 3.25Å; S64-T108 VanDerWaalsContact CB-O 3.29Å; S64-T108 WeakPolarHBondContact CB-O 3.23Å | ||
| 65 | T | 92.9 | Very high | 88.8 | Confident | 22 Ų | 22 | 72.5 Ų | 72.5 | 14% | 0.135 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 152.2 | 171.7 | -166 | 0 | 0 | 0 | 0 | 112.6 | V59 I67 N106 I107 V110 L135 | V59-T65 HydrophobicContact CG2-CG2 4.04Å; V59-T65 WeakPolarHBondContact CG2-OG1 3.46Å; T65-I67 HydrophobicContact CG2-CD1 4.36Å; T65-I67 HydrophobicContact CG2-CG1 4.26Å; T65-N106 WeakPolarHBondContact O-CA 3.36Å; T65-N106 PolarHBondContact O-OD1 2.98Å; T65-I107 HydrophobicContact CG2-CB 4.05Å; T65-I107 HydrophobicContact CG2-CD1 4.14Å; T65-I107 HydrophobicContact CG2-CG1 4.22Å; T65-I107 PolarHBondContact N-O 3.49Å; T65-I107 PolarHBondContact O-N 3.49Å; T65-V110 HydrophobicContact CG2-CG2 3.82Å; T65-L135 HydrophobicContact CG2-CD1 4.49Å |
| 66 | L | 92.9 | Very high | 89.1 | Confident | 101 Ų | 101 | 72.8 Ų | 72.8 | 53% | 0.529 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 130.9 | 176.2 | -59.3 | -179.4 | 0 | 0 | 0 | 109 | V104 L105 N106 | L66-V104 HydrophobicContact CB-CG1 4.12Å; L66-L105 CarbonylContact C-O 3.53Å; L66-L105 WeakPolarHBondContact CA-O 3.38Å; L66-N106 HydrophobicContact CD2-CB 3.53Å |
| 67 | I | 92.5 | Very high | 89.1 | Confident | 2 Ų | 2 | 77.4 Ų | 77.4 | 1% | 0.01 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 109.6 | -175.3 | -51.2 | -176.2 | 0 | 0 | 0 | 108.8 | I57 T65 W80 V104 L105 I107 I133 | I57-I67 HydrophobicContact CD1-CD1 3.82Å; I57-I67 HydrophobicContact CD1-CG1 3.78Å; T65-I67 HydrophobicContact CG2-CD1 4.36Å; T65-I67 HydrophobicContact CG2-CG1 4.26Å; I67-W80 HydrophobicContact CB-CH2 4.35Å; I67-W80 HydrophobicContact CG2-CH2 3.5Å; I67-W80 HydrophobicContact CG2-CZ2 4.1Å; I67-W80 HydrophobicContact CG2-CZ3 4.1Å; I67-W80 WeakPolarHBondContact O-CZ2 3.25Å; I67-V104 WeakPolarHBondContact O-CA 3.22Å; I67-L105 HydrophobicContact CB-CB 4.28Å; I67-L105 HydrophobicContact CD1-CD2 4.34Å; I67-L105 PolarHBondContact N-O 2.83Å; I67-L105 PolarHBondContact O-N 2.93Å; I67-I107 HydrophobicContact CD1-CD1 4.01Å; I67-I133 HydrophobicContact CG2-CD1 4.17Å; I67-I133 HydrophobicContact CG2-CG2 3.63Å |
| 68 | E | 90.8 | Very high | 89.1 | Confident | 140 Ų | 140 | 76.4 Ų | 76.4 | 65% | 0.654 | 43% | 0.427 | S | S | * | . | trans | -82.6 | 136.3 | -179.9 | -58.1 | -169.4 | 159.6 | 0 | 0 | 111.7 | N70 V104 | E68-N70 PolarHBondContact O-N 3.31Å; E68-N70 VanDerWaalsContact O-N 3.09Å; E68-V104 HydrophobicContact CG-CG1 4.16Å; E68-V104 HydrophobicContact CG-CG2 4.07Å | ||
| 69 | C | 90.2 | Very high | 89.2 | Confident | 17 Ų | 17 | 72.6 Ų | 72.6 | 12% | 0.115 | 41% | 0.406 | C | S | . | . | trans | -81.1 | 84.2 | 175.9 | -177 | 0 | 0 | 0 | 0 | 110.2 | V71 I78 W80 C120 | C69-V71 VanDerWaalsContact C-N 3.32Å; C69-V71 PolarHBondContact O-N 3.45Å; C69-I78 HydrophobicContact CB-CD1 4.32Å; C69-I78 HydrophobicContact CB-CG2 4.12Å; C69-W80 HydrophobicContact CB-CZ2 3.79Å; C69-C120 VanDerWaalsContact CA-SG 3.53Å; C69-C120 HydrophobicContact CB-CB 3.8Å; C69-C120 WeakPolarHBondContact CB-SG 3.31Å; C69-C120 WeakPolarHBondContact SG-CB 3.49Å; C69-C120 CovalentContact SG-SG 2.04Å; C69-C120 PolarHBondContact SG-SG 3.31Å | ||
| 70 | N | 88.3 | Confident | 89.3 | Confident | 120 Ų | 120 | 72 Ų | 72 | 64% | 0.642 | 40% | 0.403 | S | S | * | . | trans | -79.2 | 78.1 | -177.1 | -172.2 | 7.2 | 0 | 0 | 0 | 111.9 | E68 Y131 | E68-N70 PolarHBondContact O-N 3.31Å; E68-N70 VanDerWaalsContact O-N 3.09Å; N70-Y131 HydrophobicContact CB-CD2 3.96Å; N70-Y131 HydrophobicContact CB-CE2 3.73Å; N70-Y131 HydrophobicContact CB-CG 4.5Å; N70-Y131 WeakPolarHBondContact O-CD2 3.19Å | ||
| 71 | V | 87.3 | Confident | 89.4 | Confident | 24 Ų | 24 | 70.1 Ų | 70.1 | 15% | 0.145 | 39% | 0.393 | C | S | . | . | trans | -109.6 | 152.1 | 175 | -68.9 | 0 | 0 | 0 | 0 | 111.4 | C69 P75 A122 | C69-V71 VanDerWaalsContact C-N 3.32Å; C69-V71 PolarHBondContact O-N 3.45Å; V71-P75 HydrophobicContact CG2-CG 4.31Å; V71-A122 HydrophobicContact CB-CB 4.27Å; V71-A122 HydrophobicContact CG1-CB 4.03Å; V71-A122 HydrophobicContact CG2-CB 3.65Å | ||
| 72 | T | 83.9 | Confident | 89.6 | Confident | 141 Ų | 141 | 68.4 Ų | 68.4 | 87% | 0.865 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -76.9 | 131.4 | 177.9 | -51.4 | 0 | 0 | 0 | 0 | 111.5 | ||
| 73 | G | 81.2 | Confident | 89.6 | Confident | 66 Ų | 66 | 68.5 Ų | 68.5 | 68% | 0.68 | 38% | 0.379 | S | S | * | . | S | Bend | trans | 103.2 | -162.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 74 | K | 84.4 | Confident | 89.5 | Confident | 190 Ų | 190 | 73.6 Ų | 73.6 | 83% | 0.826 | 39% | 0.393 | S | S | * | . | trans | -121.8 | 99.5 | 174.9 | -174.4 | -172.7 | 176.3 | -168.1 | 0 | 108.4 | ||||
| 75 | P | 86.4 | Confident | 89.3 | Confident | 35 Ų | 35 | 72.2 Ų | 72.2 | 23% | 0.227 | 39% | 0.392 | C | S | . | . | trans | -71.7 | 150.5 | 177.4 | 30.1 | -34.9 | 0 | 0 | 0 | 111.6 | V71 I78 A122 | V71-P75 HydrophobicContact CG2-CG 4.31Å; P75-I78 HydrophobicContact CB-CG1 4.11Å; P75-I78 HydrophobicContact CG-CD1 3.65Å; P75-I78 HydrophobicContact CG-CG1 3.66Å; P75-A122 HydrophobicContact CB-CB 3.84Å; P75-A122 HydrophobicContact CG-CB 4.08Å | ||
| 76 | D | 88.6 | Confident | 89.1 | Confident | 118 Ų | 118 | 75.7 Ų | 75.7 | 63% | 0.631 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -85.1 | -27.7 | 175 | -60.9 | -56.3 | 0 | 0 | 0 | 110.8 | S123 S124 S125 | D76-S123 PolarHBondContact N-O 3.29Å; D76-S124 VanDerWaalsContact OD2-CA 3.23Å; D76-S124 WeakPolarHBondContact OD2-CA 3.31Å; D76-S125 PolarHBondContact OD2-N 2.88Å |
| 77 | Y | 88.4 | Confident | 89 | Confident | 139 Ų | 139 | 73.1 Ų | 73.1 | 55% | 0.545 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 143.5 | 178.3 | 176.8 | -112 | 0 | 0 | 0 | 111.3 | Q79 A122 S123 | Y77-Q79 HydrophobicContact CE1-CB 3.72Å; Y77-Q79 HydrophobicContact CE1-CG 4.43Å; Y77-A122 CarbonylContact O-C 3.59Å; Y77-A122 WeakPolarHBondContact O-CA 3.38Å; Y77-S123 PolarHBondContact N-O 2.99Å; Y77-S123 VanDerWaalsContact N-O 3.15Å; Y77-S123 PolarHBondContact O-N 3.48Å |
| 78 | I | 91.5 | Very high | 88.9 | Confident | 25 Ų | 25 | 73.1 Ų | 73.1 | 13% | 0.128 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 128.2 | 176.6 | -63.8 | 167.7 | 0 | 0 | 0 | 108.9 | C69 P75 K102 C120 I121 A122 | C69-I78 HydrophobicContact CB-CD1 4.32Å; C69-I78 HydrophobicContact CB-CG2 4.12Å; P75-I78 HydrophobicContact CB-CG1 4.11Å; P75-I78 HydrophobicContact CG-CD1 3.65Å; P75-I78 HydrophobicContact CG-CG1 3.66Å; I78-K102 VanDerWaalsContact CD1-O 3.25Å; I78-K102 WeakPolarHBondContact CD1-O 3.49Å; I78-C120 HydrophobicContact CG2-CB 4.02Å; I78-I121 WeakPolarHBondContact CA-O 3.32Å; I78-A122 HydrophobicContact CG1-CB 4.01Å |
| 79 | Q | 92 | Very high | 88.5 | Confident | 46 Ų | 46 | 70 Ų | 70 | 22% | 0.215 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 132.9 | 177.2 | -169.9 | 169.5 | 1.3 | 0 | 0 | 110.1 | Y77 Y81 V87 C120 I121 | Y77-Q79 HydrophobicContact CE1-CB 3.72Å; Y77-Q79 HydrophobicContact CE1-CG 4.43Å; Q79-Y81 HydrophobicContact CB-CE2 4.16Å; Q79-Y81 VanDerWaalsContact CD-OH 3.31Å; Q79-Y81 HydrophobicContact CG-CE2 3.87Å; Q79-Y81 PolarHBondContact NE2-OH 3.32Å; Q79-Y81 PolarHBondContact OE1-OH 3.43Å; Q79-V87 HydrophobicContact CG-CG1 4.01Å; Q79-V87 VanDerWaalsContact NE2-CG2 3.3Å; Q79-C120 CarbonylContact O-C 3.57Å; Q79-C120 WeakPolarHBondContact O-CA 3.38Å; Q79-I121 PolarHBondContact N-O 3.33Å; Q79-I121 PolarHBondContact O-N 3.4Å |
| 80 | W | 94 | Very high | 87.7 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 145.7 | 179.5 | -81.5 | 95.7 | 0 | 0 | 0 | 112 | I67 C69 V87 L88 I99 G103 L105 C120 I133 | I67-W80 HydrophobicContact CB-CH2 4.35Å; I67-W80 HydrophobicContact CG2-CH2 3.5Å; I67-W80 HydrophobicContact CG2-CZ2 4.1Å; I67-W80 HydrophobicContact CG2-CZ3 4.1Å; I67-W80 WeakPolarHBondContact O-CZ2 3.25Å; C69-W80 HydrophobicContact CB-CZ2 3.79Å; W80-V87 CarbonylContact O-C 3.59Å; W80-V87 WeakPolarHBondContact O-CA 3.36Å; W80-L88 HydrophobicContact CB-CB 4Å; W80-L88 HydrophobicContact CB-CD1 4.21Å; W80-L88 HydrophobicContact CB-CG 4.46Å; W80-L88 PolarHBondContact O-N 3.18Å; W80-I99 HydrophobicContact CB-CD1 4.32Å; W80-G103 PolarHBondContact NE1-O 2.96Å; W80-L105 HydrophobicContact CB-CD2 4.36Å; W80-L105 HydrophobicContact CD2-CB 3.81Å; W80-L105 HydrophobicContact CD2-CD2 3.87Å; W80-L105 HydrophobicContact CD2-CG 4.45Å; W80-L105 HydrophobicContact CE3-CD2 3.91Å; W80-L105 HydrophobicContact CG-CB 3.94Å; W80-L105 HydrophobicContact CG-CD2 4.1Å; W80-L105 HydrophobicContact CG-CG 4.48Å; W80-L105 HydrophobicContact CZ2-CB 4.12Å; W80-C120 HydrophobicContact CD2-CB 3.66Å; W80-C120 HydrophobicContact CE3-CB 3.82Å; W80-C120 HydrophobicContact CG-CB 4.27Å; W80-C120 HydrophobicContact CH2-CB 3.89Å; W80-C120 HydrophobicContact CZ2-CB 3.75Å; W80-C120 HydrophobicContact CZ3-CB 3.93Å; W80-I133 HydrophobicContact CZ3-CG2 4.46Å |
| 81 | Y | 93.1 | Very high | 87 | Confident | 59 Ų | 59 | 73.8 Ų | 73.8 | 23% | 0.231 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 141.2 | 176.9 | -61.3 | -97.7 | 0 | 0 | 0 | 110.5 | Q79 H86 V87 Y118 T119 I121 | Q79-Y81 HydrophobicContact CB-CE2 4.16Å; Q79-Y81 VanDerWaalsContact CD-OH 3.31Å; Q79-Y81 HydrophobicContact CG-CE2 3.87Å; Q79-Y81 PolarHBondContact NE2-OH 3.32Å; Q79-Y81 PolarHBondContact OE1-OH 3.43Å; Y81-H86 VanDerWaalsContact CA-O 3.24Å; Y81-H86 WeakPolarHBondContact CA-O 3.45Å; Y81-V87 HydrophobicContact CD1-CG2 4.24Å; Y81-V87 HydrophobicContact CE1-CG2 3.75Å; Y81-Y118 WeakPolarHBondContact O-CA 3.33Å; Y81-T119 PolarHBondContact N-O 3.17Å; Y81-T119 PolarHBondContact O-N 2.96Å; Y81-I121 HydrophobicContact CD2-CD1 4.04Å; Y81-I121 HydrophobicContact CD2-CG1 3.99Å; Y81-I121 HydrophobicContact CE2-CB 4.05Å; Y81-I121 HydrophobicContact CE2-CD1 3.52Å; Y81-I121 HydrophobicContact CE2-CG1 3.7Å |
| 82 | N | 92.7 | Very high | 86.1 | Confident | 21 Ų | 21 | 78.4 Ų | 78.4 | 11% | 0.112 | 42% | 0.421 | C | S | . | . | trans | -88 | -178.6 | 176.3 | 70.1 | 21.8 | 0 | 0 | 0 | 113.2 | K84 G85 H86 L88 R117 Y118 | N82-K84 PolarHBondContact O-N 2.85Å; N82-K84 VanDerWaalsContact O-N 3.15Å; N82-K84 WeakPolarHBondContact OD1-CA 3.42Å; N82-K84 WeakPolarHBondContact OD1-CB 3.47Å; N82-K84 PolarHBondContact OD1-N 3.39Å; N82-G85 PolarHBondContact O-N 2.84Å; N82-G85 PolarHBondContact OD1-N 3.39Å; N82-G85 VanDerWaalsContact OD1-N 3.16Å; N82-H86 PolarHBondContact N-O 3.47Å; N82-H86 PolarHBondContact OD1-N 3.05Å; N82-H86 VanDerWaalsContact OD1-N 3.09Å; N82-L88 HydrophobicContact CB-CD1 4.17Å; N82-L88 HydrophobicContact CB-CD2 3.84Å; N82-L88 HydrophobicContact CB-CG 4.2Å; N82-R117 CarbonylContact C-O 3.37Å; N82-Y118 HydrophobicContact CB-CE1 4.17Å | ||
| 83 | S | 88.9 | Confident | 85.3 | Confident | 53 Ų | 53 | 72.3 Ų | 72.3 | 37% | 0.371 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -18 | 179.9 | 56.7 | 0 | 0 | 0 | 0 | 114.8 | R117 | S83-R117 VanDerWaalsContact CA-O 3.23Å; S83-R117 WeakPolarHBondContact CA-O 3.48Å; S83-R117 PolarHBondContact N-O 3.19Å; S83-R117 VanDerWaalsContact N-O 3.12Å |
| 84 | K | 88.2 | Confident | 85.1 | Confident | 146 Ų | 146 | 72.7 Ų | 72.7 | 64% | 0.635 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | -4 | 176.4 | -54.6 | 174.9 | -175.4 | 173.2 | 0 | 112.4 | N82 H86 | N82-K84 PolarHBondContact O-N 2.85Å; N82-K84 VanDerWaalsContact O-N 3.15Å; N82-K84 WeakPolarHBondContact OD1-CA 3.42Å; N82-K84 WeakPolarHBondContact OD1-CB 3.47Å; N82-K84 PolarHBondContact OD1-N 3.39Å; K84-H86 VanDerWaalsContact C-N 3.34Å |
| 85 | G | 86.5 | Confident | 84.9 | Confident | 51 Ų | 51 | 65.1 Ų | 65.1 | 53% | 0.526 | 37% | 0.366 | S | S | . | . | S | Bend | trans | 80.4 | 6.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115 | N82 | N82-G85 PolarHBondContact O-N 2.84Å; N82-G85 PolarHBondContact OD1-N 3.39Å; N82-G85 VanDerWaalsContact OD1-N 3.16Å |
| 86 | H | 90 | Very high | 84.9 | Confident | 95 Ų | 95 | 66 Ų | 66 | 44% | 0.44 | 37% | 0.367 | S | S | . | . | trans | -73.6 | 147.8 | 172.8 | -65.1 | -138.8 | 0 | 0 | 0 | 109.8 | Y81 N82 K84 E92 | Y81-H86 VanDerWaalsContact CA-O 3.24Å; Y81-H86 WeakPolarHBondContact CA-O 3.45Å; N82-H86 PolarHBondContact N-O 3.47Å; N82-H86 PolarHBondContact OD1-N 3.05Å; N82-H86 VanDerWaalsContact OD1-N 3.09Å; K84-H86 VanDerWaalsContact C-N 3.34Å; H86-E92 IonicContact ND1-OE1 2.65Å | ||
| 87 | V | 91 | Very high | 85 | Confident | 47 Ų | 47 | 62.1 Ų | 62.1 | 29% | 0.285 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 146.4 | 168.3 | -177.6 | 0 | 0 | 0 | 0 | 108.9 | Q79 W80 Y81 | Q79-V87 HydrophobicContact CG-CG1 4.01Å; Q79-V87 VanDerWaalsContact NE2-CG2 3.3Å; W80-V87 CarbonylContact O-C 3.59Å; W80-V87 WeakPolarHBondContact O-CA 3.36Å; Y81-V87 HydrophobicContact CD1-CG2 4.24Å; Y81-V87 HydrophobicContact CE1-CG2 3.75Å |
| 88 | L | 89.8 | Confident | 85.1 | Confident | 2 Ų | 2 | 58.7 Ų | 58.7 | 1% | 0.01 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 112.6 | 173.2 | -63.5 | -177.1 | 0 | 0 | 0 | 109.6 | W80 N82 W97 I99 L105 Y118 | W80-L88 HydrophobicContact CB-CB 4Å; W80-L88 HydrophobicContact CB-CD1 4.21Å; W80-L88 HydrophobicContact CB-CG 4.46Å; W80-L88 PolarHBondContact O-N 3.18Å; N82-L88 HydrophobicContact CB-CD1 4.17Å; N82-L88 HydrophobicContact CB-CD2 3.84Å; N82-L88 HydrophobicContact CB-CG 4.2Å; L88-W97 HydrophobicContact CB-CB 4.44Å; L88-W97 HydrophobicContact CD2-CD2 3.53Å; L88-W97 HydrophobicContact CD2-CE3 3.57Å; L88-W97 HydrophobicContact CD2-CG 4.05Å; L88-W97 HydrophobicContact CD2-CH2 4.11Å; L88-W97 HydrophobicContact CD2-CZ2 4.07Å; L88-W97 HydrophobicContact CD2-CZ3 3.87Å; L88-I99 WeakPolarHBondContact O-CD1 3.35Å; L88-L105 HydrophobicContact CD1-CD1 4.23Å; L88-L105 HydrophobicContact CD1-CD2 3.63Å; L88-Y118 HydrophobicContact CD1-CD1 3.51Å; L88-Y118 HydrophobicContact CD1-CE1 3.46Å; L88-Y118 VanDerWaalsContact CD1-CE1 3.46Å |
| 89 | D | 82.3 | Confident | 84.9 | Confident | 74 Ų | 74 | 60.9 Ų | 60.9 | 40% | 0.396 | 35% | 0.345 | S | S | . | . | trans | -133.9 | 158.9 | 177.1 | 180 | 47.2 | 0 | 0 | 0 | 111.1 | E91 G93 | D89-E91 WeakPolarHBondContact OD2-CB 3.41Å; D89-E91 PolarHBondContact OD2-N 3.18Å; D89-E91 VanDerWaalsContact OD2-N 3.09Å; D89-G93 PolarHBondContact O-N 3.43Å | ||
| 90 | A | 73.9 | Confident | 84.6 | Confident | 40 Ų | 40 | 63 Ų | 63 | 33% | 0.331 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -34.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | G94 G95 W97 L98 | A90-G94 PolarHBondContact O-N 3.26Å; A90-G95 PolarHBondContact O-N 2.91Å; A90-W97 WeakPolarHBondContact CA-O 3.31Å; A90-L98 HydrophobicContact CB-CD2 3.9Å |
| 91 | E | 72.1 | Confident | 83.6 | Confident | 177 Ų | 177 | 70 Ų | 70 | 83% | 0.827 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -52.6 | -179.5 | -58.8 | -164.1 | 168 | 0 | 0 | 111.3 | D89 G93 G94 | D89-E91 WeakPolarHBondContact OD2-CB 3.41Å; D89-E91 PolarHBondContact OD2-N 3.18Å; D89-E91 VanDerWaalsContact OD2-N 3.09Å; E91-G93 VanDerWaalsContact C-N 3.25Å; E91-G93 PolarHBondContact O-N 2.8Å; E91-G94 PolarHBondContact O-N 3.01Å |
| 92 | E | 70.1 | Confident | 82.7 | Confident | 121 Ų | 121 | 76.5 Ų | 76.5 | 57% | 0.565 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -35.5 | 176.6 | -170.5 | -178.1 | 155.4 | 0 | 0 | 111.7 | H86 G94 | H86-E92 IonicContact ND1-OE1 2.65Å; E92-G94 VanDerWaalsContact C-N 3.32Å; E92-G94 PolarHBondContact O-N 3.42Å |
| 93 | G | 65.8 | Low | 82.3 | Confident | 13 Ų | 13 | 75.9 Ų | 75.9 | 13% | 0.134 | 42% | 0.42 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 116 | D89 E91 G95 K96 W97 | D89-G93 PolarHBondContact O-N 3.43Å; E91-G93 VanDerWaalsContact C-N 3.25Å; E91-G93 PolarHBondContact O-N 2.8Å; G93-G95 PolarHBondContact O-N 2.96Å; G93-K96 WeakPolarHBondContact O-CB 3.12Å; G93-K96 PolarHBondContact O-N 3.34Å; G93-W97 VanDerWaalsContact CA-CZ3 3.42Å |
| 94 | G | 77.3 | Confident | 82.4 | Confident | 74 Ų | 74 | 74.3 Ų | 74.3 | 76% | 0.763 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.6 | 33.6 | -175 | 0 | 0 | 0 | 0 | 0 | 113.5 | A90 E91 E92 K96 | A90-G94 PolarHBondContact O-N 3.26Å; E91-G94 PolarHBondContact O-N 3.01Å; E92-G94 VanDerWaalsContact C-N 3.32Å; E92-G94 PolarHBondContact O-N 3.42Å; G94-K96 VanDerWaalsContact C-N 3.35Å; G94-K96 PolarHBondContact O-N 3.38Å |
| 95 | G | 80.8 | Confident | 82.6 | Confident | 31 Ų | 31 | 67.3 Ų | 67.3 | 32% | 0.32 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.1 | 4.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | A90 G93 T108 | A90-G95 PolarHBondContact O-N 2.91Å; G93-G95 PolarHBondContact O-N 2.96Å; G95-T108 PolarHBondContact O-OG1 2.94Å |
| 96 | K | 87.1 | Confident | 82.9 | Confident | 54 Ų | 54 | 66.2 Ų | 66.2 | 24% | 0.235 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -67.4 | -36.7 | 174.4 | -168.1 | -179.7 | -172.8 | -171.3 | 0 | 112.6 | G93 G94 I107 T108 T109 S111 D114 | G93-K96 WeakPolarHBondContact O-CB 3.12Å; G93-K96 PolarHBondContact O-N 3.34Å; G94-K96 VanDerWaalsContact C-N 3.35Å; G94-K96 PolarHBondContact O-N 3.38Å; K96-I107 WeakPolarHBondContact O-CA 3.41Å; K96-T108 WeakPolarHBondContact CA-OG1 3.5Å; K96-T108 PolarHBondContact O-N 3.11Å; K96-T108 PolarHBondContact O-OG1 3.38Å; K96-T109 WeakPolarHBondContact CE-O 3.23Å; K96-S111 PolarHBondContact NZ-OG 3.42Å; K96-D114 WeakPolarHBondContact CE-OD2 3.39Å; K96-D114 IonicContact NZ-OD1 3.35Å; K96-D114 PolarHBondContact NZ-OD1 3.44Å; K96-D114 IonicContact NZ-OD2 3.18Å; K96-D114 PolarHBondContact NZ-OD2 2.91Å |
| 97 | W | 90.7 | Very high | 83 | Confident | 37 Ų | 37 | 61.7 Ų | 61.7 | 14% | 0.14 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 127 | -179 | -50.2 | -54 | 0 | 0 | 0 | 108.9 | L88 A90 G93 L105 N106 | L88-W97 HydrophobicContact CB-CB 4.44Å; L88-W97 HydrophobicContact CD2-CD2 3.53Å; L88-W97 HydrophobicContact CD2-CE3 3.57Å; L88-W97 HydrophobicContact CD2-CG 4.05Å; L88-W97 HydrophobicContact CD2-CH2 4.11Å; L88-W97 HydrophobicContact CD2-CZ2 4.07Å; L88-W97 HydrophobicContact CD2-CZ3 3.87Å; A90-W97 WeakPolarHBondContact CA-O 3.31Å; G93-W97 VanDerWaalsContact CA-CZ3 3.42Å; W97-L105 HydrophobicContact CB-CD1 4.11Å; W97-N106 WeakPolarHBondContact CA-O 3.47Å |
| 98 | L | 88.7 | Confident | 83 | Confident | 66 Ų | 66 | 61.9 Ų | 61.9 | 35% | 0.346 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 117.2 | -179.9 | -61.2 | 173 | 0 | 0 | 0 | 108.6 | A90 N106 T108 | A90-L98 HydrophobicContact CB-CD2 3.9Å; L98-N106 HydrophobicContact CB-CB 4.26Å; L98-N106 PolarHBondContact N-O 3.48Å; L98-N106 WeakPolarHBondContact O-CB 3.24Å; L98-N106 PolarHBondContact O-N 2.88Å; L98-T108 HydrophobicContact CD1-CG2 3.76Å; L98-T108 HydrophobicContact CG-CG2 4.3Å |
| 99 | I | 88.5 | Confident | 83 | Confident | 71 Ų | 71 | 65.5 Ų | 65.5 | 36% | 0.364 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 117.2 | 174.4 | -59.7 | 176.4 | 0 | 0 | 0 | 108 | W80 L88 | W80-I99 HydrophobicContact CB-CD1 4.32Å; L88-I99 WeakPolarHBondContact O-CD1 3.35Å |
| 100 | Q | 84.4 | Confident | 83.4 | Confident | 90 Ų | 90 | 62 Ų | 62 | 42% | 0.421 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 170.6 | 176.5 | -54.1 | -174.4 | 16 | 0 | 0 | 111.5 | G103 V104 N106 | Q100-G103 WeakPolarHBondContact O-CA 3.35Å; Q100-G103 PolarHBondContact O-N 3.49Å; Q100-V104 HydrophobicContact CB-CB 4.35Å; Q100-V104 PolarHBondContact N-O 2.9Å; Q100-V104 PolarHBondContact O-N 3.19Å; Q100-N106 HydrophobicContact CG-CB 4.47Å |
| 101 | D | 74.1 | Confident | 84.2 | Confident | 149 Ų | 149 | 61.8 Ų | 61.8 | 80% | 0.797 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -45.7 | 141.3 | 171.2 | -68 | -50.5 | 0 | 0 | 0 | 112.2 | G103 | D101-G103 PolarHBondContact O-N 3.37Š|
| 102 | K | 75 | Confident | 85 | Confident | 195 Ų | 195 | 57.6 Ų | 57.6 | 85% | 0.848 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | 65.6 | 11.9 | -172.2 | -44 | 167.5 | -172.4 | 167.7 | 0 | 114.7 | I78 | I78-K102 VanDerWaalsContact CD1-O 3.25Å; I78-K102 WeakPolarHBondContact CD1-O 3.49Å |
| 103 | G | 84.2 | Confident | 85.8 | Confident | 7 Ų | 7 | 59 Ų | 59 | 7% | 0.072 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | 77.7 | 31 | 172 | 0 | 0 | 0 | 0 | 0 | 114.5 | W80 Q100 D101 | W80-G103 PolarHBondContact NE1-O 2.96Å; Q100-G103 WeakPolarHBondContact O-CA 3.35Å; Q100-G103 PolarHBondContact O-N 3.49Å; D101-G103 PolarHBondContact O-N 3.37Å |
| 104 | V | 90.1 | Very high | 87 | Confident | 20 Ų | 20 | 58.9 Ų | 58.9 | 12% | 0.121 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 120.1 | 172.8 | -176 | 0 | 0 | 0 | 0 | 109.1 | L66 I67 E68 Q100 N106 | L66-V104 HydrophobicContact CB-CG1 4.12Å; I67-V104 WeakPolarHBondContact O-CA 3.22Å; E68-V104 HydrophobicContact CG-CG1 4.16Å; E68-V104 HydrophobicContact CG-CG2 4.07Å; Q100-V104 HydrophobicContact CB-CB 4.35Å; Q100-V104 PolarHBondContact N-O 2.9Å; Q100-V104 PolarHBondContact O-N 3.19Å; V104-N106 PolarHBondContact O-N 3.39Å |
| 105 | L | 92.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 115.6 | 175.8 | 169.5 | 64.7 | 0 | 0 | 0 | 109.9 | L66 I67 W80 L88 W97 I107 Y118 | L66-L105 CarbonylContact C-O 3.53Å; L66-L105 WeakPolarHBondContact CA-O 3.38Å; I67-L105 HydrophobicContact CB-CB 4.28Å; I67-L105 HydrophobicContact CD1-CD2 4.34Å; I67-L105 PolarHBondContact N-O 2.83Å; I67-L105 PolarHBondContact O-N 2.93Å; W80-L105 HydrophobicContact CB-CD2 4.36Å; W80-L105 HydrophobicContact CD2-CB 3.81Å; W80-L105 HydrophobicContact CD2-CD2 3.87Å; W80-L105 HydrophobicContact CD2-CG 4.45Å; W80-L105 HydrophobicContact CE3-CD2 3.91Å; W80-L105 HydrophobicContact CG-CB 3.94Å; W80-L105 HydrophobicContact CG-CD2 4.1Å; W80-L105 HydrophobicContact CG-CG 4.48Å; W80-L105 HydrophobicContact CZ2-CB 4.12Å; L88-L105 HydrophobicContact CD1-CD1 4.23Å; L88-L105 HydrophobicContact CD1-CD2 3.63Å; W97-L105 HydrophobicContact CB-CD1 4.11Å; L105-I107 HydrophobicContact CD2-CG1 4.43Å; L105-I107 HydrophobicContact CG-CG1 4.18Å; L105-Y118 HydrophobicContact CD2-CD1 3.59Å; L105-Y118 HydrophobicContact CD2-CE1 4.07Å; L105-Y118 HydrophobicContact CD2-CG 4.5Å |
| 106 | N | 92.3 | Very high | 88.3 | Confident | 28 Ų | 28 | 61.5 Ų | 61.5 | 15% | 0.15 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 126.2 | 168.5 | 179.4 | 18.8 | 0 | 0 | 0 | 109.6 | T65 L66 W97 L98 Q100 V104 | T65-N106 WeakPolarHBondContact O-CA 3.36Å; T65-N106 PolarHBondContact O-OD1 2.98Å; L66-N106 HydrophobicContact CD2-CB 3.53Å; W97-N106 WeakPolarHBondContact CA-O 3.47Å; L98-N106 HydrophobicContact CB-CB 4.26Å; L98-N106 PolarHBondContact N-O 3.48Å; L98-N106 WeakPolarHBondContact O-CB 3.24Å; L98-N106 PolarHBondContact O-N 2.88Å; Q100-N106 HydrophobicContact CG-CB 4.47Å; V104-N106 PolarHBondContact O-N 3.39Å |
| 107 | I | 92.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 112.4 | 169.3 | -48.9 | 178.6 | 0 | 0 | 0 | 106.4 | S64 T65 I67 K96 L105 V110 Y118 L135 | S64-I107 CarbonylContact C-O 3.58Å; S64-I107 VanDerWaalsContact CA-O 3.22Å; S64-I107 WeakPolarHBondContact CA-O 3.26Å; S64-I107 WeakPolarHBondContact CB-O 3.25Å; T65-I107 HydrophobicContact CG2-CB 4.05Å; T65-I107 HydrophobicContact CG2-CD1 4.14Å; T65-I107 HydrophobicContact CG2-CG1 4.22Å; T65-I107 PolarHBondContact N-O 3.49Å; T65-I107 PolarHBondContact O-N 3.49Å; I67-I107 HydrophobicContact CD1-CD1 4.01Å; K96-I107 WeakPolarHBondContact O-CA 3.41Å; L105-I107 HydrophobicContact CD2-CG1 4.43Å; L105-I107 HydrophobicContact CG-CG1 4.18Å; I107-V110 HydrophobicContact CB-CG2 4.07Å; I107-V110 HydrophobicContact CG2-CG2 3.83Å; I107-Y118 HydrophobicContact CD1-CE1 3.91Å; I107-L135 HydrophobicContact CD1-CD2 3.81Å |
| 108 | T | 90.9 | Very high | 88.8 | Confident | 50 Ų | 50 | 64.1 Ų | 64.1 | 31% | 0.307 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -72.2 | -36.5 | -167.6 | 52.2 | 0 | 0 | 0 | 0 | 113.1 | S64 G95 K96 L98 | S64-T108 VanDerWaalsContact CB-O 3.29Å; S64-T108 WeakPolarHBondContact CB-O 3.23Å; G95-T108 PolarHBondContact O-OG1 2.94Å; K96-T108 WeakPolarHBondContact CA-OG1 3.5Å; K96-T108 PolarHBondContact O-N 3.11Å; K96-T108 PolarHBondContact O-OG1 3.38Å; L98-T108 HydrophobicContact CD1-CG2 3.76Å; L98-T108 HydrophobicContact CG-CG2 4.3Å |
| 109 | T | 90 | Very high | 89 | Confident | 78 Ų | 78 | 62.1 Ų | 62.1 | 48% | 0.479 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -141 | 108.8 | 173.4 | -53.8 | 0 | 0 | 0 | 0 | 109.1 | K96 | K96-T109 WeakPolarHBondContact CE-O 3.23Š|
| 110 | V | 91.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 29% | 0.287 | C | S | . | . | trans | -79.1 | 122 | 177.9 | 175.2 | 0 | 0 | 0 | 0 | 110.4 | V59 G62 A63 T65 I107 D114 L135 V137 | V59-V110 HydrophobicContact CG1-CB 4.22Å; V59-V110 HydrophobicContact CG1-CG1 4.48Å; V59-V110 HydrophobicContact CG1-CG2 3.98Å; G62-V110 PolarHBondContact N-O 3.35Å; A63-V110 WeakPolarHBondContact O-CB 3.27Å; A63-V110 PolarHBondContact O-N 3.34Å; T65-V110 HydrophobicContact CG2-CG2 3.82Å; I107-V110 HydrophobicContact CB-CG2 4.07Å; I107-V110 HydrophobicContact CG2-CG2 3.83Å; V110-D114 WeakPolarHBondContact CA-OD2 3.46Å; V110-D114 HydrophobicContact CG1-CB 4.4Å; V110-L135 HydrophobicContact CG1-CD2 4.22Å; V110-V137 HydrophobicContact CG1-CB 4.42Å; V110-V137 HydrophobicContact CG1-CG1 4.07Å; V110-V137 HydrophobicContact CG1-CG2 3.53Å | ||
| 111 | S | 89.8 | Confident | 89.6 | Confident | 37 Ų | 37 | 57.1 Ų | 57.1 | 26% | 0.259 | 28% | 0.281 | S | S | . | . | trans | -105.3 | 161.1 | 169.5 | 66.1 | 0 | 0 | 0 | 0 | 111.2 | K96 E113 D114 | K96-S111 PolarHBondContact NZ-OG 3.42Å; S111-E113 PolarHBondContact O-N 3.37Å; S111-D114 PolarHBondContact N-OD2 2.9Å; S111-D114 WeakPolarHBondContact O-CB 3.29Å; S111-D114 PolarHBondContact O-N 2.87Å; S111-D114 PolarHBondContact OG-OD2 3.05Å | ||
| 112 | F | 87.9 | Confident | 90.5 | Very high | 88 Ų | 88 | 50.2 Ų | 50.2 | 39% | 0.386 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -54.6 | -24 | 177 | -173.1 | -105.1 | 0 | 0 | 0 | 114.4 | E61 R115 | E61-F112 WeakPolarHBondContact OE1-CB 3.27Å; E61-F112 PolarHBondContact OE1-N 3.31Å; F112-R115 VanDerWaalsContact CZ-CZ 3.4Å; F112-R115 VanDerWaalsContact CZ-NH1 3.32Å; F112-R115 WeakPolarHBondContact O-CD 3.44Å; F112-R115 WeakPolarHBondContact O-CG 3.45Å; F112-R115 PolarHBondContact O-NE 2.89Å |
| 113 | E | 88.8 | Confident | 91.3 | Very high | 151 Ų | 151 | 42.8 Ų | 42.8 | 71% | 0.706 | 22% | 0.217 | S | C | * | . | G | 310 helix | trans | -73.9 | -21.8 | 175.9 | -61.8 | -164.5 | 166.9 | 0 | 0 | 114.4 | S111 R115 | S111-E113 PolarHBondContact O-N 3.37Å; E113-R115 PolarHBondContact O-N 2.85Å |
| 114 | D | 90.1 | Very high | 91.6 | Very high | 10 Ų | 10 | 44.5 Ų | 44.5 | 5% | 0.053 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -71.6 | -13.7 | 177.5 | -65.5 | -50 | 0 | 0 | 0 | 112.4 | K96 V110 S111 G116 Y118 L135 | K96-D114 WeakPolarHBondContact CE-OD2 3.39Å; K96-D114 IonicContact NZ-OD1 3.35Å; K96-D114 PolarHBondContact NZ-OD1 3.44Å; K96-D114 IonicContact NZ-OD2 3.18Å; K96-D114 PolarHBondContact NZ-OD2 2.91Å; V110-D114 WeakPolarHBondContact CA-OD2 3.46Å; V110-D114 HydrophobicContact CG1-CB 4.4Å; S111-D114 PolarHBondContact N-OD2 2.9Å; S111-D114 WeakPolarHBondContact O-CB 3.29Å; S111-D114 PolarHBondContact O-N 2.87Å; S111-D114 PolarHBondContact OG-OD2 3.05Å; D114-G116 PolarHBondContact O-N 3.31Å; D114-Y118 WeakPolarHBondContact CB-OH 3.39Å; D114-Y118 WeakPolarHBondContact O-CE2 3.35Å; D114-Y118 PolarHBondContact O-OH 3.38Å; D114-Y118 VanDerWaalsContact O-OH 3.07Å; D114-L135 HydrophobicContact CB-CD2 3.99Å |
| 115 | R | 92.3 | Very high | 91.5 | Very high | 141 Ų | 141 | 49.4 Ų | 49.4 | 53% | 0.532 | 26% | 0.263 | S | S | . | . | trans | -56.2 | 136.9 | -177 | 72 | -168.5 | 172.5 | 137 | 3.3 | 112.2 | F112 E113 L135 V137 | F112-R115 VanDerWaalsContact CZ-CZ 3.4Å; F112-R115 VanDerWaalsContact CZ-NH1 3.32Å; F112-R115 WeakPolarHBondContact O-CD 3.44Å; F112-R115 WeakPolarHBondContact O-CG 3.45Å; F112-R115 PolarHBondContact O-NE 2.89Å; E113-R115 PolarHBondContact O-N 2.85Å; R115-L135 WeakPolarHBondContact CA-O 3.46Å; R115-V137 HydrophobicContact CB-CG2 3.98Å | ||
| 116 | G | 93.2 | Very high | 91.2 | Very high | 20 Ų | 20 | 54 Ų | 54 | 21% | 0.206 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 138.9 | -164.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114 | D114 T134 L135 | D114-G116 PolarHBondContact O-N 3.31Å; G116-T134 CarbonylContact O-C 3.59Å; G116-T134 WeakPolarHBondContact O-CA 3.28Å; G116-L135 PolarHBondContact N-O 3.2Å; G116-L135 PolarHBondContact O-N 3.21Å |
| 117 | R | 94.3 | Very high | 91 | Very high | 143 Ų | 143 | 54.4 Ų | 54.4 | 54% | 0.54 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 118 | -176 | -75.1 | 167.1 | 53.3 | -105 | -5.9 | 111.5 | N82 S83 T132 I133 | N82-R117 CarbonylContact C-O 3.37Å; S83-R117 VanDerWaalsContact CA-O 3.23Å; S83-R117 WeakPolarHBondContact CA-O 3.48Å; S83-R117 PolarHBondContact N-O 3.19Å; S83-R117 VanDerWaalsContact N-O 3.12Å; R117-T132 HydrophobicContact CB-CG2 4.03Å; R117-T132 HydrophobicContact CG-CG2 4.16Å; R117-I133 CarbonylContact C-O 3.54Å; R117-I133 WeakPolarHBondContact CA-O 3.5Å |
| 118 | Y | 93.9 | Very high | 90.9 | Very high | 3 Ų | 3 | 58.8 Ų | 58.8 | 1% | 0.012 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 138.3 | 166.7 | -72.2 | -103.8 | 0 | 0 | 0 | 108.8 | Y81 N82 L88 L105 I107 D114 T132 I133 L135 | Y81-Y118 WeakPolarHBondContact O-CA 3.33Å; N82-Y118 HydrophobicContact CB-CE1 4.17Å; L88-Y118 HydrophobicContact CD1-CD1 3.51Å; L88-Y118 HydrophobicContact CD1-CE1 3.46Å; L88-Y118 VanDerWaalsContact CD1-CE1 3.46Å; L105-Y118 HydrophobicContact CD2-CD1 3.59Å; L105-Y118 HydrophobicContact CD2-CE1 4.07Å; L105-Y118 HydrophobicContact CD2-CG 4.5Å; I107-Y118 HydrophobicContact CD1-CE1 3.91Å; D114-Y118 WeakPolarHBondContact CB-OH 3.39Å; D114-Y118 WeakPolarHBondContact O-CE2 3.35Å; D114-Y118 PolarHBondContact O-OH 3.38Å; D114-Y118 VanDerWaalsContact O-OH 3.07Å; Y118-T132 CarbonylContact O-C 3.58Å; Y118-T132 VanDerWaalsContact O-CA 3.31Å; Y118-T132 WeakPolarHBondContact O-CA 3.36Å; Y118-I133 PolarHBondContact N-O 3.42Å; Y118-I133 PolarHBondContact O-N 3.49Å; Y118-L135 HydrophobicContact CD2-CB 3.84Å; Y118-L135 HydrophobicContact CD2-CD2 4.49Å; Y118-L135 HydrophobicContact CE2-CB 3.71Å; Y118-L135 HydrophobicContact CE2-CD2 3.7Å; Y118-L135 HydrophobicContact CE2-CG 4.35Å |
| 119 | T | 93.4 | Very high | 90.8 | Very high | 24 Ų | 24 | 59 Ų | 59 | 15% | 0.147 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 125.4 | 177.8 | -57.7 | 0 | 0 | 0 | 0 | 109.7 | Y81 N130 Y131 T132 | Y81-T119 PolarHBondContact N-O 3.17Å; Y81-T119 PolarHBondContact O-N 2.96Å; T119-N130 HydrophobicContact CG2-CB 4.35Å; T119-Y131 CarbonylContact C-O 3.6Å; T119-Y131 WeakPolarHBondContact CA-O 3.38Å; T119-T132 WeakPolarHBondContact CG2-OG1 3.23Å; T119-T132 WeakPolarHBondContact OG1-CG2 3.3Å; T119-T132 PolarHBondContact OG1-OG1 3.05Å |
| 120 | C | 93 | Very high | 90.9 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 141.2 | 162.4 | 66.6 | 0 | 0 | 0 | 0 | 110 | C69 I78 Q79 W80 N130 Y131 | C69-C120 VanDerWaalsContact CA-SG 3.53Å; C69-C120 HydrophobicContact CB-CB 3.8Å; C69-C120 WeakPolarHBondContact CB-SG 3.31Å; C69-C120 WeakPolarHBondContact SG-CB 3.49Å; C69-C120 CovalentContact SG-SG 2.04Å; C69-C120 PolarHBondContact SG-SG 3.31Å; I78-C120 HydrophobicContact CG2-CB 4.02Å; Q79-C120 CarbonylContact O-C 3.57Å; Q79-C120 WeakPolarHBondContact O-CA 3.38Å; W80-C120 HydrophobicContact CD2-CB 3.66Å; W80-C120 HydrophobicContact CE3-CB 3.82Å; W80-C120 HydrophobicContact CG-CB 4.27Å; W80-C120 HydrophobicContact CH2-CB 3.89Å; W80-C120 HydrophobicContact CZ2-CB 3.75Å; W80-C120 HydrophobicContact CZ3-CB 3.93Å; C120-N130 VanDerWaalsContact O-CA 3.28Å; C120-N130 WeakPolarHBondContact O-CA 3.23Å; C120-Y131 PolarHBondContact N-O 3.34Å; C120-Y131 PolarHBondContact O-N 2.94Å |
| 121 | I | 92.6 | Very high | 90.9 | Very high | 56 Ų | 56 | 62.3 Ų | 62.3 | 29% | 0.287 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 123.2 | 166 | -59.3 | -173.4 | 0 | 0 | 0 | 106.2 | I78 Q79 Y81 T128 | I78-I121 WeakPolarHBondContact CA-O 3.32Å; Q79-I121 PolarHBondContact N-O 3.33Å; Q79-I121 PolarHBondContact O-N 3.4Å; Y81-I121 HydrophobicContact CD2-CD1 4.04Å; Y81-I121 HydrophobicContact CD2-CG1 3.99Å; Y81-I121 HydrophobicContact CE2-CB 4.05Å; Y81-I121 HydrophobicContact CE2-CD1 3.52Å; Y81-I121 HydrophobicContact CE2-CG1 3.7Å; I121-T128 HydrophobicContact CG2-CG2 3.32Å |
| 122 | A | 92.8 | Very high | 91 | Very high | 3 Ų | 3 | 62 Ų | 62 | 3% | 0.025 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 113.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | V71 P75 Y77 I78 T128 S129 | V71-A122 HydrophobicContact CB-CB 4.27Å; V71-A122 HydrophobicContact CG1-CB 4.03Å; V71-A122 HydrophobicContact CG2-CB 3.65Å; P75-A122 HydrophobicContact CB-CB 3.84Å; P75-A122 HydrophobicContact CG-CB 4.08Å; Y77-A122 CarbonylContact O-C 3.59Å; Y77-A122 WeakPolarHBondContact O-CA 3.38Å; I78-A122 HydrophobicContact CG1-CB 4.01Å; A122-T128 CarbonylContact O-C 3.6Å; A122-T128 WeakPolarHBondContact O-CA 3.31Å; A122-S129 PolarHBondContact N-O 3.2Å; A122-S129 PolarHBondContact O-N 3.1Å |
| 123 | S | 91.4 | Very high | 91.3 | Very high | 40 Ų | 40 | 58.3 Ų | 58.3 | 28% | 0.28 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 141.5 | -175 | -71.2 | 0 | 0 | 0 | 0 | 111 | D76 Y77 T128 | D76-S123 PolarHBondContact N-O 3.29Å; Y77-S123 PolarHBondContact N-O 2.99Å; Y77-S123 VanDerWaalsContact N-O 3.15Å; Y77-S123 PolarHBondContact O-N 3.48Å; S123-T128 PolarHBondContact OG-OG1 3.4Å |
| 124 | S | 90.1 | Very high | 91.5 | Very high | 42 Ų | 42 | 53.2 Ų | 53.2 | 29% | 0.294 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 163.7 | 178.1 | 71.3 | 0 | 0 | 0 | 0 | 110.6 | D76 A126 G127 | D76-S124 VanDerWaalsContact OD2-CA 3.23Å; D76-S124 WeakPolarHBondContact OD2-CA 3.31Å; S124-A126 PolarHBondContact O-N 2.87Å; S124-A126 PolarHBondContact OG-N 3.16Å; S124-G127 PolarHBondContact N-O 3.34Å; S124-G127 PolarHBondContact O-N 2.99Å; S124-G127 PolarHBondContact OG-N 2.97Å; S124-G127 PolarHBondContact OG-O 3.34Å |
| 125 | S | 89.1 | Confident | 91.7 | Very high | 123 Ų | 123 | 52.9 Ų | 52.9 | 86% | 0.86 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | -22.5 | 168 | 51.1 | 0 | 0 | 0 | 0 | 115.1 | D76 | D76-S125 PolarHBondContact OD2-N 2.88Š|
| 126 | A | 85.4 | Confident | 91.7 | Very high | 98 Ų | 98 | 52.2 Ų | 52.2 | 81% | 0.81 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | -4.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | S124 | S124-A126 PolarHBondContact O-N 2.87Å; S124-A126 PolarHBondContact OG-N 3.16Å |
| 127 | G | 87.7 | Confident | 91.6 | Very high | 36 Ų | 36 | 52.2 Ų | 52.2 | 37% | 0.371 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 127.4 | -172.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | S124 | S124-G127 PolarHBondContact N-O 3.34Å; S124-G127 PolarHBondContact O-N 2.99Å; S124-G127 PolarHBondContact OG-N 2.97Å; S124-G127 PolarHBondContact OG-O 3.34Å |
| 128 | T | 90.3 | Very high | 91.2 | Very high | 91 Ų | 91 | 46.9 Ų | 46.9 | 56% | 0.558 | 29% | 0.293 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 135.6 | -174 | -60.4 | 0 | 0 | 0 | 0 | 111.4 | I121 A122 S123 | I121-T128 HydrophobicContact CG2-CG2 3.32Å; A122-T128 CarbonylContact O-C 3.6Å; A122-T128 WeakPolarHBondContact O-CA 3.31Å; S123-T128 PolarHBondContact OG-OG1 3.4Å |
| 129 | S | 90 | Very high | 90.4 | Very high | 55 Ų | 55 | 52.3 Ų | 52.3 | 39% | 0.385 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 158.9 | 172.9 | -69.8 | 0 | 0 | 0 | 0 | 110.7 | A122 | A122-S129 PolarHBondContact N-O 3.2Å; A122-S129 PolarHBondContact O-N 3.1Å |
| 130 | N | 90.9 | Very high | 89.2 | Confident | 116 Ų | 116 | 53.8 Ų | 53.8 | 62% | 0.62 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 152.3 | 176.3 | 63.7 | -11 | 0 | 0 | 0 | 112.6 | T119 C120 | T119-N130 HydrophobicContact CG2-CB 4.35Å; C120-N130 VanDerWaalsContact O-CA 3.28Å; C120-N130 WeakPolarHBondContact O-CA 3.23Å |
| 131 | Y | 91.5 | Very high | 87.8 | Confident | 31 Ų | 31 | 58.7 Ų | 58.7 | 12% | 0.122 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 125.6 | 173.5 | 168.9 | -86.4 | 0 | 0 | 0 | 109.3 | R55 N70 T119 C120 I133 | R55-Y131 HydrophobicContact CG-CE2 4.35Å; N70-Y131 HydrophobicContact CB-CD2 3.96Å; N70-Y131 HydrophobicContact CB-CE2 3.73Å; N70-Y131 HydrophobicContact CB-CG 4.5Å; N70-Y131 WeakPolarHBondContact O-CD2 3.19Å; T119-Y131 CarbonylContact C-O 3.6Å; T119-Y131 WeakPolarHBondContact CA-O 3.38Å; C120-Y131 PolarHBondContact N-O 3.34Å; C120-Y131 PolarHBondContact O-N 2.94Å; Y131-I133 HydrophobicContact CE1-CB 3.84Å; Y131-I133 HydrophobicContact CE1-CD1 4.37Å; Y131-I133 HydrophobicContact CE1-CG2 4.27Å |
| 132 | T | 92.4 | Very high | 86.5 | Confident | 30 Ų | 30 | 61.7 Ų | 61.7 | 18% | 0.184 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 131.5 | -179.4 | -58.5 | 0 | 0 | 0 | 0 | 110.8 | R55 R117 Y118 T119 | R55-T132 WeakPolarHBondContact CD-O 3.12Å; R55-T132 PolarHBondContact NE-O 3.32Å; R117-T132 HydrophobicContact CB-CG2 4.03Å; R117-T132 HydrophobicContact CG-CG2 4.16Å; Y118-T132 CarbonylContact O-C 3.58Å; Y118-T132 VanDerWaalsContact O-CA 3.31Å; Y118-T132 WeakPolarHBondContact O-CA 3.36Å; T119-T132 WeakPolarHBondContact CG2-OG1 3.23Å; T119-T132 WeakPolarHBondContact OG1-CG2 3.3Å; T119-T132 PolarHBondContact OG1-OG1 3.05Å |
| 133 | I | 93.6 | Very high | 85.1 | Confident | 12 Ų | 12 | 62.9 Ų | 62.9 | 6% | 0.062 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 151.1 | 178.8 | -165.4 | 174.9 | 0 | 0 | 0 | 110.2 | R55 I57 I67 W80 R117 Y118 Y131 | R55-I133 HydrophobicContact CB-CG1 4.35Å; R55-I133 CarbonylContact O-C 3.5Å; R55-I133 WeakPolarHBondContact O-CA 3.33Å; R55-I133 WeakPolarHBondContact O-CG1 3.5Å; I57-I133 HydrophobicContact CD1-CD1 4.27Å; I57-I133 HydrophobicContact CG1-CD1 4.24Å; I57-I133 HydrophobicContact CG2-CD1 3.88Å; I67-I133 HydrophobicContact CG2-CD1 4.17Å; I67-I133 HydrophobicContact CG2-CG2 3.63Å; W80-I133 HydrophobicContact CZ3-CG2 4.46Å; R117-I133 CarbonylContact C-O 3.54Å; R117-I133 WeakPolarHBondContact CA-O 3.5Å; Y118-I133 PolarHBondContact N-O 3.42Å; Y118-I133 PolarHBondContact O-N 3.49Å; Y131-I133 HydrophobicContact CE1-CB 3.84Å; Y131-I133 HydrophobicContact CE1-CD1 4.37Å; Y131-I133 HydrophobicContact CE1-CG2 4.27Å |
| 134 | T | 94.2 | Very high | 84.2 | Confident | 44 Ų | 44 | 63.2 Ų | 63.2 | 27% | 0.27 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 111.8 | -179.2 | -51.8 | 0 | 0 | 0 | 0 | 110.7 | R55 D56 I57 G116 R136 | R55-T134 PolarHBondContact O-N 3.23Å; D56-T134 VanDerWaalsContact CA-O 3.23Å; D56-T134 WeakPolarHBondContact CA-O 3.29Å; D56-T134 WeakPolarHBondContact CB-O 3.44Å; I57-T134 PolarHBondContact N-O 2.99Å; G116-T134 CarbonylContact O-C 3.59Å; G116-T134 WeakPolarHBondContact O-CA 3.28Å; T134-R136 PolarHBondContact O-N 3.34Å |
| 135 | L | 93.8 | Very high | 83.3 | Confident | 2 Ų | 2 | 63.6 Ų | 63.6 | 1% | 0.01 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 115.9 | 169.6 | 179.2 | 59.2 | 0 | 0 | 0 | 109.5 | I57 V59 T65 I107 V110 D114 R115 G116 Y118 V137 | I57-L135 HydrophobicContact CD1-CD1 4Å; I57-L135 HydrophobicContact CG1-CD1 4.02Å; V59-L135 HydrophobicContact CB-CD1 4.04Å; V59-L135 HydrophobicContact CG2-CD1 3.55Å; T65-L135 HydrophobicContact CG2-CD1 4.49Å; I107-L135 HydrophobicContact CD1-CD2 3.81Å; V110-L135 HydrophobicContact CG1-CD2 4.22Å; D114-L135 HydrophobicContact CB-CD2 3.99Å; R115-L135 WeakPolarHBondContact CA-O 3.46Å; G116-L135 PolarHBondContact N-O 3.2Å; G116-L135 PolarHBondContact O-N 3.21Å; Y118-L135 HydrophobicContact CD2-CB 3.84Å; Y118-L135 HydrophobicContact CD2-CD2 4.49Å; Y118-L135 HydrophobicContact CE2-CB 3.71Å; Y118-L135 HydrophobicContact CE2-CD2 3.7Å; Y118-L135 HydrophobicContact CE2-CG 4.35Å; L135-V137 HydrophobicContact CG-CG2 4.43Å |
| 136 | R | 92.1 | Very high | 82.8 | Confident | 128 Ų | 128 | 62.7 Ų | 62.7 | 48% | 0.483 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 136.9 | 165.4 | -56.2 | -174.1 | -169.1 | -94.3 | 3 | 108.7 | D56 I57 I58 V59 T134 | D56-R136 IonicContact OD2-CZ 2.71Å; D56-R136 IonicContact OD2-NE 2.86Å; D56-R136 PolarHBondContact OD2-NE 3.22Å; D56-R136 IonicContact OD2-NH2 3.58Å; D56-R136 PolarHBondContact OD2-NH2 3.45Å; I57-R136 WeakPolarHBondContact O-CB 3.47Å; I57-R136 PolarHBondContact O-N 3.13Å; I58-R136 WeakPolarHBondContact CA-O 3.2Å; I58-R136 HydrophobicContact CG1-CB 4.1Å; V59-R136 PolarHBondContact N-O 3.28Å; T134-R136 PolarHBondContact O-N 3.34Å |
| 137 | V | 91.4 | Very high | 82.7 | Confident | 20 Ų | 20 | 64.5 Ų | 64.5 | 12% | 0.121 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 114.5 | 177.2 | -174.5 | 0 | 0 | 0 | 0 | 108.7 | V59 E61 V110 R115 L135 Y139 | V59-V137 CarbonylContact O-C 3.36Å; V59-V137 WeakPolarHBondContact O-CA 3.36Å; E61-V137 HydrophobicContact CB-CG1 3.83Å; E61-V137 HydrophobicContact CG-CG1 4.46Å; V110-V137 HydrophobicContact CG1-CB 4.42Å; V110-V137 HydrophobicContact CG1-CG1 4.07Å; V110-V137 HydrophobicContact CG1-CG2 3.53Å; R115-V137 HydrophobicContact CB-CG2 3.98Å; L135-V137 HydrophobicContact CG-CG2 4.43Å; V137-Y139 PolarHBondContact O-N 3.39Å |
| 138 | A | 85.4 | Confident | 82.4 | Confident | 31 Ų | 31 | 69.2 Ų | 69.2 | 26% | 0.256 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 115.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | I58 V59 K60 E61 V140 | I58-A138 HydrophobicContact CG2-CB 3.69Å; V59-A138 PolarHBondContact O-N 3.05Å; K60-A138 CarbonylContact C-O 3.54Å; K60-A138 WeakPolarHBondContact CA-O 3.4Å; K60-A138 HydrophobicContact CG-CB 4.28Å; E61-A138 PolarHBondContact N-O 3.03Å; A138-V140 PolarHBondContact O-N 3.49Å |
| 139 | Y | 76.9 | Confident | 82 | Confident | 116 Ų | 116 | 67 Ų | 67 | 46% | 0.455 | 36% | 0.359 | S | S | . | . | trans | -76.5 | 108.8 | -172.8 | -174.9 | -104.5 | 0 | 0 | 0 | 111.2 | E61 V137 H141 L144 | E61-Y139 WeakPolarHBondContact OE2-CD2 3.3Å; E61-Y139 VanDerWaalsContact OE2-CE2 3.28Å; E61-Y139 WeakPolarHBondContact OE2-CE2 3.03Å; V137-Y139 PolarHBondContact O-N 3.39Å; Y139-H141 HydrophobicContact CD1-CB 4.06Å; Y139-H141 HydrophobicContact CE1-CB 3.26Å; Y139-H141 HydrophobicContact CE2-CB 4.2Å; Y139-H141 WeakPolarHBondContact OH-CB 3.45Å; Y139-L144 HydrophobicContact CE1-CB 4.09Å; Y139-L144 HydrophobicContact CE1-CD1 3.48Å; Y139-L144 VanDerWaalsContact CE1-CD1 3.48Å; Y139-L144 HydrophobicContact CE1-CG 3.72Å | ||
| 140 | V | 68.9 | Low | 81.8 | Confident | 56 Ų | 56 | 68.3 Ų | 68.3 | 34% | 0.339 | 36% | 0.361 | S | S | . | . | trans | -109 | 49 | -179.6 | -71.8 | 0 | 0 | 0 | 0 | 112.3 | K60 E61 A138 S142 | K60-V140 HydrophobicContact CB-CG1 4.01Å; K60-V140 HydrophobicContact CB-CG2 3.96Å; K60-V140 HydrophobicContact CD-CG1 3.79Å; K60-V140 HydrophobicContact CG-CG1 3.72Å; E61-V140 HydrophobicContact CB-CG2 4.14Å; E61-V140 WeakPolarHBondContact O-CG2 3.47Å; A138-V140 PolarHBondContact O-N 3.49Å; V140-S142 VanDerWaalsContact C-N 3.31Å; V140-S142 PolarHBondContact O-N 3.4Å | ||
| 141 | H | 64 | Low | 81.6 | Confident | 103 Ų | 103 | 65.7 Ų | 65.7 | 48% | 0.477 | 35% | 0.349 | S | S | . | . | trans | -73.8 | 93.2 | 161.1 | -158.9 | 74 | 0 | 0 | 0 | 108.8 | Y139 G143 L144 | Y139-H141 HydrophobicContact CD1-CB 4.06Å; Y139-H141 HydrophobicContact CE1-CB 3.26Å; Y139-H141 HydrophobicContact CE2-CB 4.2Å; Y139-H141 WeakPolarHBondContact OH-CB 3.45Å; H141-G143 PolarHBondContact O-N 2.74Å; H141-L144 HydrophobicContact CB-CB 4.28Å; H141-L144 HydrophobicContact CB-CG 4.18Å; H141-L144 PolarHBondContact CD2-N 3.21Å; H141-L144 VanDerWaalsContact CD2-N 3.34Å; H141-L144 PolarHBondContact O-N 3.45Å | ||
| 142 | S | 64.1 | Low | 81.3 | Confident | 119 Ų | 119 | 67 Ų | 67 | 83% | 0.832 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -8.9 | 175.6 | -46.3 | 0 | 0 | 0 | 0 | 114 | V140 | V140-S142 VanDerWaalsContact C-N 3.31Å; V140-S142 PolarHBondContact O-N 3.4Å |
| 143 | G | 64.1 | Low | 80.9 | Confident | 27 Ų | 27 | 70.6 Ų | 70.6 | 28% | 0.278 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | -14.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | H141 L146 Y147 | H141-G143 PolarHBondContact O-N 2.74Å; G143-L146 PolarHBondContact O-N 2.83Å; G143-Y147 WeakPolarHBondContact O-CB 3.31Å; G143-Y147 PolarHBondContact O-N 2.9Å |
| 144 | L | 71.6 | Confident | 80.8 | Confident | 47 Ų | 47 | 74.3 Ų | 74.3 | 25% | 0.246 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -75.1 | -43.7 | -171.3 | -95.4 | -147.5 | 0 | 0 | 0 | 112.1 | Y139 H141 L146 Y147 Y148 | Y139-L144 HydrophobicContact CE1-CB 4.09Å; Y139-L144 HydrophobicContact CE1-CD1 3.48Å; Y139-L144 VanDerWaalsContact CE1-CD1 3.48Å; Y139-L144 HydrophobicContact CE1-CG 3.72Å; H141-L144 HydrophobicContact CB-CB 4.28Å; H141-L144 HydrophobicContact CB-CG 4.18Å; H141-L144 PolarHBondContact CD2-N 3.21Å; H141-L144 VanDerWaalsContact CD2-N 3.34Å; H141-L144 PolarHBondContact O-N 3.45Å; L144-L146 VanDerWaalsContact C-N 3.26Å; L144-L146 PolarHBondContact O-N 3.39Å; L144-Y147 HydrophobicContact CD2-CD1 4.25Å; L144-Y147 PolarHBondContact O-N 3.46Å; L144-Y148 HydrophobicContact CB-CD2 4.48Å; L144-Y148 HydrophobicContact CB-CE2 4.25Å; L144-Y148 HydrophobicContact CD1-CE2 3.87Å; L144-Y148 HydrophobicContact CG-CE2 4.42Å; L144-Y148 WeakPolarHBondContact O-CD2 3.46Å; L144-Y148 PolarHBondContact O-N 3.23Å |
| 145 | G | 73.1 | Confident | 80.5 | Confident | 51 Ų | 51 | 74.5 Ų | 74.5 | 53% | 0.526 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -56.4 | -44.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y148 V149 | G145-Y148 PolarHBondContact O-N 3.46Å; G145-V149 WeakPolarHBondContact O-CB 3.43Å; G145-V149 WeakPolarHBondContact O-CG2 3.32Å; G145-V149 PolarHBondContact O-N 2.87Å |
| 146 | L | 78.3 | Confident | 80.2 | Confident | 104 Ų | 104 | 78.7 Ų | 78.7 | 55% | 0.545 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -65.6 | -38.8 | 176.9 | -175.6 | 61.1 | 0 | 0 | 0 | 112.8 | G143 L144 V149 I150 | G143-L146 PolarHBondContact O-N 2.83Å; L144-L146 VanDerWaalsContact C-N 3.26Å; L144-L146 PolarHBondContact O-N 3.39Å; L146-V149 WeakPolarHBondContact O-CB 3.36Å; L146-V149 PolarHBondContact O-N 2.85Å; L146-I150 HydrophobicContact CD1-CD1 4.19Å; L146-I150 HydrophobicContact CD1-CG1 4.45Å; L146-I150 HydrophobicContact CG-CD1 3.94Å; L146-I150 WeakPolarHBondContact O-CB 3.17Å; L146-I150 WeakPolarHBondContact O-CD1 3.25Å; L146-I150 VanDerWaalsContact O-CG1 3.23Å; L146-I150 WeakPolarHBondContact O-CG1 3.06Å; L146-I150 PolarHBondContact O-N 3.42Å |
| 147 | Y | 82.9 | Confident | 79.9 | Confident | 135 Ų | 135 | 75.8 Ų | 75.8 | 53% | 0.529 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -63.4 | -48.9 | 175.5 | 172.1 | -98.8 | 0 | 0 | 0 | 111 | G143 L144 V149 I150 V151 | G143-Y147 WeakPolarHBondContact O-CB 3.31Å; G143-Y147 PolarHBondContact O-N 2.9Å; L144-Y147 HydrophobicContact CD2-CD1 4.25Å; L144-Y147 PolarHBondContact O-N 3.46Å; Y147-V149 VanDerWaalsContact C-N 3.34Å; Y147-V149 PolarHBondContact O-N 3.25Å; Y147-I150 PolarHBondContact O-N 2.89Å; Y147-V151 HydrophobicContact CD1-CG2 4.37Å; Y147-V151 HydrophobicContact CD2-CG2 4.34Å; Y147-V151 HydrophobicContact CE1-CG2 4.02Å; Y147-V151 HydrophobicContact CE2-CG2 3.97Å; Y147-V151 WeakPolarHBondContact O-CB 3.21Å; Y147-V151 VanDerWaalsContact O-CG2 3.31Å; Y147-V151 WeakPolarHBondContact O-CG2 3.5Å; Y147-V151 PolarHBondContact O-N 3.29Å |
| 148 | Y | 81.5 | Confident | 79.9 | Confident | 136 Ų | 136 | 79.1 Ų | 79.1 | 53% | 0.533 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -63.5 | -39 | 175.3 | -67.6 | -57.6 | 0 | 0 | 0 | 111.9 | L144 G145 V151 C152 | L144-Y148 HydrophobicContact CB-CD2 4.48Å; L144-Y148 HydrophobicContact CB-CE2 4.25Å; L144-Y148 HydrophobicContact CD1-CE2 3.87Å; L144-Y148 HydrophobicContact CG-CE2 4.42Å; L144-Y148 WeakPolarHBondContact O-CD2 3.46Å; L144-Y148 PolarHBondContact O-N 3.23Å; G145-Y148 PolarHBondContact O-N 3.46Å; Y148-V151 PolarHBondContact O-N 3.34Å; Y148-C152 VanDerWaalsContact O-CB 3.32Å; Y148-C152 WeakPolarHBondContact O-CB 3.27Å; Y148-C152 PolarHBondContact O-N 2.85Å; Y148-C152 PolarHBondContact O-SG 2.71Å |
| 149 | V | 81.2 | Confident | 79.9 | Confident | 45 Ų | 45 | 80.9 Ų | 80.9 | 27% | 0.273 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -56.7 | -50.1 | 171.1 | 166.3 | 0 | 0 | 0 | 0 | 111.1 | F24 G145 L146 Y147 C152 L153 | F24-V149 HydrophobicContact CE1-CG2 3.65Å; F24-V149 HydrophobicContact CZ-CG2 3.73Å; G145-V149 WeakPolarHBondContact O-CB 3.43Å; G145-V149 WeakPolarHBondContact O-CG2 3.32Å; G145-V149 PolarHBondContact O-N 2.87Å; L146-V149 WeakPolarHBondContact O-CB 3.36Å; L146-V149 PolarHBondContact O-N 2.85Å; Y147-V149 VanDerWaalsContact C-N 3.34Å; Y147-V149 PolarHBondContact O-N 3.25Å; V149-C152 PolarHBondContact O-N 2.83Å; V149-L153 HydrophobicContact CG1-CD1 3.87Å; V149-L153 HydrophobicContact CG1-CG 4.47Å; V149-L153 WeakPolarHBondContact O-CB 3.34Å; V149-L153 VanDerWaalsContact O-CG 3.28Å; V149-L153 WeakPolarHBondContact O-CG 3.43Å; V149-L153 PolarHBondContact O-N 3.33Å |
| 150 | I | 85.3 | Confident | 80.2 | Confident | 81 Ų | 81 | 80.9 Ų | 80.9 | 42% | 0.415 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63.2 | -45.8 | 179.9 | -71 | 164.9 | 0 | 0 | 0 | 110.9 | L146 Y147 C152 L153 I154 | L146-I150 HydrophobicContact CD1-CD1 4.19Å; L146-I150 HydrophobicContact CD1-CG1 4.45Å; L146-I150 HydrophobicContact CG-CD1 3.94Å; L146-I150 WeakPolarHBondContact O-CB 3.17Å; L146-I150 WeakPolarHBondContact O-CD1 3.25Å; L146-I150 VanDerWaalsContact O-CG1 3.23Å; L146-I150 WeakPolarHBondContact O-CG1 3.06Å; L146-I150 PolarHBondContact O-N 3.42Å; Y147-I150 PolarHBondContact O-N 2.89Å; I150-C152 PolarHBondContact O-N 3.22Å; I150-L153 PolarHBondContact O-N 2.9Å; I150-I154 HydrophobicContact CG2-CD1 3.73Å; I150-I154 HydrophobicContact CG2-CG1 4.47Å; I150-I154 VanDerWaalsContact O-CG1 3.29Å; I150-I154 WeakPolarHBondContact O-CG1 3.15Å; I150-I154 PolarHBondContact O-N 3.23Å |
| 151 | V | 87.5 | Confident | 81 | Confident | 62 Ų | 62 | 83 Ų | 83 | 38% | 0.376 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -61 | -42.9 | 176.8 | 169.7 | 0 | 0 | 0 | 0 | 111.1 | Y147 Y148 I154 A155 | Y147-V151 HydrophobicContact CD1-CG2 4.37Å; Y147-V151 HydrophobicContact CD2-CG2 4.34Å; Y147-V151 HydrophobicContact CE1-CG2 4.02Å; Y147-V151 HydrophobicContact CE2-CG2 3.97Å; Y147-V151 WeakPolarHBondContact O-CB 3.21Å; Y147-V151 VanDerWaalsContact O-CG2 3.31Å; Y147-V151 WeakPolarHBondContact O-CG2 3.5Å; Y147-V151 PolarHBondContact O-N 3.29Å; Y148-V151 PolarHBondContact O-N 3.34Å; V151-I154 PolarHBondContact O-N 3.32Å; V151-A155 WeakPolarHBondContact O-CB 3.4Å; V151-A155 PolarHBondContact O-N 2.99Å |
| 152 | C | 84.4 | Confident | 81.9 | Confident | 59 Ų | 59 | 83.4 Ų | 83.4 | 40% | 0.399 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.5 | -46.3 | 174.1 | -75.1 | 0 | 0 | 0 | 0 | 111.9 | Y148 V149 I150 I154 A155 F156 | Y148-C152 VanDerWaalsContact O-CB 3.32Å; Y148-C152 WeakPolarHBondContact O-CB 3.27Å; Y148-C152 PolarHBondContact O-N 2.85Å; Y148-C152 PolarHBondContact O-SG 2.71Å; V149-C152 PolarHBondContact O-N 2.83Å; I150-C152 PolarHBondContact O-N 3.22Å; C152-I154 VanDerWaalsContact C-N 3.33Å; C152-I154 PolarHBondContact O-N 2.99Å; C152-A155 PolarHBondContact O-N 3.2Å; C152-F156 HydrophobicContact CB-CD2 4.33Å; C152-F156 HydrophobicContact CB-CE2 4.24Å; C152-F156 WeakPolarHBondContact O-CB 3.34Å; C152-F156 WeakPolarHBondContact O-CD2 3.06Å; C152-F156 PolarHBondContact O-N 3.43Å |
| 153 | L | 85.2 | Confident | 82.6 | Confident | 105 Ų | 105 | 82.3 Ų | 82.3 | 55% | 0.55 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -61.9 | -39 | 178 | -70.8 | 170.6 | 0 | 0 | 0 | 112.2 | V149 I150 T157 | V149-L153 HydrophobicContact CG1-CD1 3.87Å; V149-L153 HydrophobicContact CG1-CG 4.47Å; V149-L153 WeakPolarHBondContact O-CB 3.34Å; V149-L153 VanDerWaalsContact O-CG 3.28Å; V149-L153 WeakPolarHBondContact O-CG 3.43Å; V149-L153 PolarHBondContact O-N 3.33Å; I150-L153 PolarHBondContact O-N 2.9Å; L153-T157 WeakPolarHBondContact O-CB 3.49Å; L153-T157 WeakPolarHBondContact O-CG2 3.49Å; L153-T157 PolarHBondContact O-N 3.39Å; L153-T157 PolarHBondContact O-OG1 3.45Å |
| 154 | I | 91 | Very high | 83.7 | Confident | 90 Ų | 90 | 84.8 Ų | 84.8 | 46% | 0.462 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -64.8 | -47 | 173.2 | -68.6 | 167.5 | 0 | 0 | 0 | 110.5 | I150 V151 C152 F156 T157 I158 | I150-I154 HydrophobicContact CG2-CD1 3.73Å; I150-I154 HydrophobicContact CG2-CG1 4.47Å; I150-I154 VanDerWaalsContact O-CG1 3.29Å; I150-I154 WeakPolarHBondContact O-CG1 3.15Å; I150-I154 PolarHBondContact O-N 3.23Å; V151-I154 PolarHBondContact O-N 3.32Å; C152-I154 VanDerWaalsContact C-N 3.33Å; C152-I154 PolarHBondContact O-N 2.99Å; I154-F156 PolarHBondContact O-N 3.19Å; I154-T157 WeakPolarHBondContact CA-OG1 3.48Å; I154-T157 PolarHBondContact O-N 3.49Å; I154-T157 PolarHBondContact O-OG1 3.43Å; I154-I158 HydrophobicContact CG2-CD1 3.71Å; I154-I158 HydrophobicContact CG2-CG1 4.48Å; I154-I158 WeakPolarHBondContact O-CB 3.22Å; I154-I158 VanDerWaalsContact O-CG1 3.27Å; I154-I158 WeakPolarHBondContact O-CG1 3.47Å; I154-I158 PolarHBondContact O-N 2.83Å |
| 155 | A | 87.1 | Confident | 84.3 | Confident | 47 Ų | 47 | 86.3 Ų | 86.3 | 39% | 0.388 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.9 | -41.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | V151 C152 T159 | V151-A155 WeakPolarHBondContact O-CB 3.4Å; V151-A155 PolarHBondContact O-N 2.99Å; C152-A155 PolarHBondContact O-N 3.2Å; A155-T159 VanDerWaalsContact O-CB 3.25Å; A155-T159 WeakPolarHBondContact O-CB 3.18Å; A155-T159 PolarHBondContact O-N 3.25Å; A155-T159 PolarHBondContact O-OG1 2.67Å |
| 156 | F | 88.4 | Confident | 84.8 | Confident | 90 Ų | 90 | 92.8 Ų | 92.8 | 40% | 0.395 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -69.6 | -39.9 | 177.3 | -76.9 | -59.4 | 0 | 0 | 0 | 112.7 | V16 I20 C152 I154 T159 M160 | V16-F156 HydrophobicContact CG1-CE1 3.81Å; V16-F156 HydrophobicContact CG1-CZ 4.4Å; I20-F156 HydrophobicContact CD1-CD1 4.46Å; I20-F156 HydrophobicContact CD1-CD2 4.13Å; I20-F156 HydrophobicContact CD1-CE1 3.86Å; I20-F156 HydrophobicContact CD1-CE2 3.49Å; I20-F156 VanDerWaalsContact CD1-CE2 3.49Å; I20-F156 HydrophobicContact CD1-CZ 3.35Å; I20-F156 HydrophobicContact CG1-CE2 4.1Å; I20-F156 HydrophobicContact CG1-CZ 3.96Å; C152-F156 HydrophobicContact CB-CD2 4.33Å; C152-F156 HydrophobicContact CB-CE2 4.24Å; C152-F156 WeakPolarHBondContact O-CB 3.34Å; C152-F156 WeakPolarHBondContact O-CD2 3.06Å; C152-F156 PolarHBondContact O-N 3.43Å; I154-F156 PolarHBondContact O-N 3.19Å; F156-T159 PolarHBondContact O-N 2.95Å; F156-M160 VanDerWaalsContact O-CB 3.31Å; F156-M160 WeakPolarHBondContact O-CB 3.28Å; F156-M160 PolarHBondContact O-N 2.95Å |
| 157 | T | 86.7 | Confident | 85 | Confident | 68 Ų | 68 | 91.5 Ų | 91.5 | 42% | 0.417 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -67.2 | -42.3 | 176.2 | 47.9 | 0 | 0 | 0 | 0 | 112 | L153 I154 M160 I161 | L153-T157 WeakPolarHBondContact O-CB 3.49Å; L153-T157 WeakPolarHBondContact O-CG2 3.49Å; L153-T157 PolarHBondContact O-N 3.39Å; L153-T157 PolarHBondContact O-OG1 3.45Å; I154-T157 WeakPolarHBondContact CA-OG1 3.48Å; I154-T157 PolarHBondContact O-N 3.49Å; I154-T157 PolarHBondContact O-OG1 3.43Å; T157-M160 PolarHBondContact O-N 3.29Å; T157-I161 WeakPolarHBondContact O-CD1 3.38Å; T157-I161 VanDerWaalsContact O-CG1 3.25Å; T157-I161 WeakPolarHBondContact O-CG1 3.16Å; T157-I161 PolarHBondContact O-N 2.99Å |
| 158 | I | 90 | Very high | 85 | Confident | 89 Ų | 89 | 88.4 Ų | 88.4 | 46% | 0.456 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -58.9 | -48.9 | 171.3 | -68.4 | 168 | 0 | 0 | 0 | 110.6 | I154 M160 I161 L162 | I154-I158 HydrophobicContact CG2-CD1 3.71Å; I154-I158 HydrophobicContact CG2-CG1 4.48Å; I154-I158 WeakPolarHBondContact O-CB 3.22Å; I154-I158 VanDerWaalsContact O-CG1 3.27Å; I154-I158 WeakPolarHBondContact O-CG1 3.47Å; I154-I158 PolarHBondContact O-N 2.83Å; I158-M160 VanDerWaalsContact C-N 3.31Å; I158-M160 PolarHBondContact O-N 3.48Å; I158-I161 PolarHBondContact O-N 2.94Å; I158-L162 HydrophobicContact CG2-CD1 3.88Å; I158-L162 HydrophobicContact CG2-CG 4.35Å; I158-L162 WeakPolarHBondContact O-CG 3.37Å; I158-L162 PolarHBondContact O-N 3Å |
| 159 | T | 85.8 | Confident | 85 | Confident | 69 Ų | 69 | 88.5 Ų | 88.5 | 42% | 0.423 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.6 | -40.2 | 179.2 | -60.6 | 0 | 0 | 0 | 0 | 111.9 | A155 F156 N163 | A155-T159 VanDerWaalsContact O-CB 3.25Å; A155-T159 WeakPolarHBondContact O-CB 3.18Å; A155-T159 PolarHBondContact O-N 3.25Å; A155-T159 PolarHBondContact O-OG1 2.67Å; F156-T159 PolarHBondContact O-N 2.95Å; T159-N163 WeakPolarHBondContact O-CB 3.28Å; T159-N163 VanDerWaalsContact O-CG 3.31Å; T159-N163 PolarHBondContact O-N 2.92Å; T159-N163 PolarHBondContact O-ND2 2.98Å; T159-N163 VanDerWaalsContact O-ND2 3.11Å |
| 160 | M | 84.1 | Confident | 85.1 | Confident | 115 Ų | 115 | 89.9 Ų | 89.9 | 57% | 0.567 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -63.1 | -47.4 | 174.4 | -177.1 | -176.8 | 69.7 | 0 | 0 | 111.5 | F156 T157 I158 L162 N163 V164 | F156-M160 VanDerWaalsContact O-CB 3.31Å; F156-M160 WeakPolarHBondContact O-CB 3.28Å; F156-M160 PolarHBondContact O-N 2.95Å; T157-M160 PolarHBondContact O-N 3.29Å; I158-M160 VanDerWaalsContact C-N 3.31Å; I158-M160 PolarHBondContact O-N 3.48Å; M160-L162 PolarHBondContact O-N 3.34Å; M160-N163 PolarHBondContact O-N 2.97Å; M160-V164 HydrophobicContact CG-CG2 4.43Å; M160-V164 WeakPolarHBondContact O-CB 3.44Å; M160-V164 WeakPolarHBondContact O-CG2 3.31Å; M160-V164 PolarHBondContact O-N 3.49Å |
| 161 | I | 85.3 | Confident | 84.8 | Confident | 100 Ų | 100 | 87 Ų | 87 | 51% | 0.513 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.6 | -43.8 | 179.1 | -69.4 | 162.8 | 0 | 0 | 0 | 110.9 | T157 I158 V164 T165 | T157-I161 WeakPolarHBondContact O-CD1 3.38Å; T157-I161 VanDerWaalsContact O-CG1 3.25Å; T157-I161 WeakPolarHBondContact O-CG1 3.16Å; T157-I161 PolarHBondContact O-N 2.99Å; I158-I161 PolarHBondContact O-N 2.94Å; I161-V164 PolarHBondContact O-N 3.21Å; I161-T165 VanDerWaalsContact O-CB 3.31Å; I161-T165 WeakPolarHBondContact O-CB 3.32Å; I161-T165 PolarHBondContact O-N 3.35Å; I161-T165 PolarHBondContact O-OG1 3.04Å |
| 162 | L | 82.8 | Confident | 84.7 | Confident | 112 Ų | 112 | 87 Ų | 87 | 59% | 0.586 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -62.9 | -44.1 | 176.2 | -69.4 | 173.3 | 0 | 0 | 0 | 111.7 | I158 M160 T165 R166 | I158-L162 HydrophobicContact CG2-CD1 3.88Å; I158-L162 HydrophobicContact CG2-CG 4.35Å; I158-L162 WeakPolarHBondContact O-CG 3.37Å; I158-L162 PolarHBondContact O-N 3Å; M160-L162 PolarHBondContact O-N 3.34Å; L162-T165 PolarHBondContact O-N 3.11Å; L162-R166 WeakPolarHBondContact O-CB 3.35Å; L162-R166 PolarHBondContact O-N 2.86Å |
| 163 | N | 78.4 | Confident | 84.4 | Confident | 97 Ų | 97 | 90 Ų | 90 | 52% | 0.519 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.1 | -42.4 | 178 | -78.6 | -35.5 | 0 | 0 | 0 | 112.7 | T159 M160 R166 L167 | T159-N163 WeakPolarHBondContact O-CB 3.28Å; T159-N163 VanDerWaalsContact O-CG 3.31Å; T159-N163 PolarHBondContact O-N 2.92Å; T159-N163 PolarHBondContact O-ND2 2.98Å; T159-N163 VanDerWaalsContact O-ND2 3.11Å; M160-N163 PolarHBondContact O-N 2.97Å; N163-R166 PolarHBondContact O-N 2.93Å; N163-L167 WeakPolarHBondContact O-CB 3.39Å; N163-L167 PolarHBondContact O-N 3.32Å |
| 164 | V | 87.3 | Confident | 83.9 | Confident | 79 Ų | 79 | 88.6 Ų | 88.6 | 48% | 0.479 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62 | -46.3 | 173.6 | 169.9 | 0 | 0 | 0 | 0 | 110.3 | M160 I161 R166 L167 C168 | M160-V164 HydrophobicContact CG-CG2 4.43Å; M160-V164 WeakPolarHBondContact O-CB 3.44Å; M160-V164 WeakPolarHBondContact O-CG2 3.31Å; M160-V164 PolarHBondContact O-N 3.49Å; I161-V164 PolarHBondContact O-N 3.21Å; V164-R166 VanDerWaalsContact C-N 3.33Å; V164-R166 PolarHBondContact O-N 3.39Å; V164-L167 PolarHBondContact O-N 3.03Å; V164-C168 WeakPolarHBondContact O-CB 3.3Å; V164-C168 PolarHBondContact O-N 2.68Å; V164-C168 PolarHBondContact O-SG 2.86Å |
| 165 | T | 84.4 | Confident | 83.2 | Confident | 78 Ų | 78 | 90.5 Ų | 90.5 | 48% | 0.479 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.5 | -43.6 | 177.6 | -57.1 | 0 | 0 | 0 | 0 | 111.4 | I161 L162 C168 M169 | I161-T165 VanDerWaalsContact O-CB 3.31Å; I161-T165 WeakPolarHBondContact O-CB 3.32Å; I161-T165 PolarHBondContact O-N 3.35Å; I161-T165 PolarHBondContact O-OG1 3.04Å; L162-T165 PolarHBondContact O-N 3.11Å; T165-C168 PolarHBondContact O-N 2.89Å; T165-M169 WeakPolarHBondContact O-CB 3.28Å; T165-M169 WeakPolarHBondContact O-CG 3.27Å; T165-M169 PolarHBondContact O-N 3.38Å |
| 166 | R | 83.2 | Confident | 83.1 | Confident | 188 Ų | 188 | 95.7 Ų | 95.7 | 71% | 0.709 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -62.6 | -43.1 | 175.8 | -161.2 | 177 | -155 | -112.1 | 3.6 | 111.9 | L162 N163 V164 M169 V170 | L162-R166 WeakPolarHBondContact O-CB 3.35Å; L162-R166 PolarHBondContact O-N 2.86Å; N163-R166 PolarHBondContact O-N 2.93Å; V164-R166 VanDerWaalsContact C-N 3.33Å; V164-R166 PolarHBondContact O-N 3.39Å; R166-M169 PolarHBondContact O-N 2.73Å; R166-V170 WeakPolarHBondContact O-CG2 3.5Å; R166-V170 PolarHBondContact O-N 2.71Å |
| 167 | L | 83.5 | Confident | 82.5 | Confident | 77 Ų | 77 | 93.9 Ų | 93.9 | 40% | 0.403 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.9 | -40.1 | 176.5 | -177.4 | 62.4 | 0 | 0 | 0 | 112 | Y9 N163 V164 S171 | Y9-L167 HydrophobicContact CE2-CD1 4.24Å; N163-L167 WeakPolarHBondContact O-CB 3.39Å; N163-L167 PolarHBondContact O-N 3.32Å; V164-L167 PolarHBondContact O-N 3.03Å; L167-S171 WeakPolarHBondContact O-CB 3.47Å; L167-S171 PolarHBondContact O-N 2.9Å; L167-S171 PolarHBondContact O-OG 2.97Å |
| 168 | C | 81.8 | Confident | 82.3 | Confident | 69 Ų | 69 | 96.5 Ų | 96.5 | 47% | 0.466 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.6 | -41.2 | 175 | -72 | 0 | 0 | 0 | 0 | 112.2 | V164 T165 S172 | V164-C168 WeakPolarHBondContact O-CB 3.3Å; V164-C168 PolarHBondContact O-N 2.68Å; V164-C168 PolarHBondContact O-SG 2.86Å; T165-C168 PolarHBondContact O-N 2.89Å; C168-S172 VanDerWaalsContact O-CB 3.24Å; C168-S172 WeakPolarHBondContact O-CB 3.49Å; C168-S172 PolarHBondContact O-N 3.37Å; C168-S172 PolarHBondContact O-OG 2.78Å |
| 169 | M | 81.4 | Confident | 82 | Confident | 138 Ų | 138 | 100 Ų | 100 | 68% | 0.68 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60 | -52 | 173.8 | -73.4 | -101.4 | -79 | 0 | 0 | 111.3 | T165 R166 S172 H173 | T165-M169 WeakPolarHBondContact O-CB 3.28Å; T165-M169 WeakPolarHBondContact O-CG 3.27Å; T165-M169 PolarHBondContact O-N 3.38Å; R166-M169 PolarHBondContact O-N 2.73Å; M169-S172 PolarHBondContact O-N 3.05Å; M169-H173 PolarHBondContact O-N 3.24Å |
| 170 | V | 84.6 | Confident | 81.7 | Confident | 74 Ų | 74 | 99.7 Ų | 99.7 | 45% | 0.448 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62 | -46.1 | 177.9 | 172.4 | 0 | 0 | 0 | 0 | 111.3 | R166 S172 H173 L174 | R166-V170 WeakPolarHBondContact O-CG2 3.5Å; R166-V170 PolarHBondContact O-N 2.71Å; V170-S172 VanDerWaalsContact C-N 3.28Å; V170-S172 PolarHBondContact O-N 2.84Å; V170-H173 PolarHBondContact O-N 3.48Å; V170-L174 HydrophobicContact CG1-CD1 3.99Å; V170-L174 HydrophobicContact CG1-CG 4.34Å; V170-L174 WeakPolarHBondContact O-CG 3.45Å; V170-L174 PolarHBondContact O-N 2.83Å |
| 171 | S | 77.8 | Confident | 81.3 | Confident | 20 Ų | 20 | 98.8 Ų | 98.8 | 14% | 0.14 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -63 | -34.8 | 178.2 | -58.7 | 0 | 0 | 0 | 0 | 112.5 | L167 K175 | L167-S171 WeakPolarHBondContact O-CB 3.47Å; L167-S171 PolarHBondContact O-N 2.9Å; L167-S171 PolarHBondContact O-OG 2.97Å; S171-K175 WeakPolarHBondContact O-CB 3.36Å; S171-K175 WeakPolarHBondContact O-CG 3.45Å; S171-K175 PolarHBondContact O-N 3.07Å |
| 172 | S | 86.5 | Confident | 80.7 | Confident | 64 Ų | 64 | 99 Ų | 99 | 45% | 0.448 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -71.2 | -37.1 | 175.4 | -60 | 0 | 0 | 0 | 0 | 111.9 | C168 M169 V170 K176 | C168-S172 VanDerWaalsContact O-CB 3.24Å; C168-S172 WeakPolarHBondContact O-CB 3.49Å; C168-S172 PolarHBondContact O-N 3.37Å; C168-S172 PolarHBondContact O-OG 2.78Å; M169-S172 PolarHBondContact O-N 3.05Å; V170-S172 VanDerWaalsContact C-N 3.28Å; V170-S172 PolarHBondContact O-N 2.84Å; S172-K176 WeakPolarHBondContact O-CG 3.38Å; S172-K176 PolarHBondContact O-N 2.9Å; S172-K176 VanDerWaalsContact O-N 3.07Å |
| 173 | H | 76.8 | Confident | 80.5 | Confident | 121 Ų | 121 | 97.2 Ų | 97.2 | 56% | 0.56 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65 | -46.2 | 171.7 | -170 | -81 | 0 | 0 | 0 | 111.2 | M169 V170 K175 K176 T177 | M169-H173 PolarHBondContact O-N 3.24Å; V170-H173 PolarHBondContact O-N 3.48Å; H173-K175 PolarHBondContact O-N 2.95Å; H173-K176 WeakPolarHBondContact O-CB 3.49Å; H173-K176 PolarHBondContact O-N 2.9Å; H173-K176 VanDerWaalsContact O-N 3.09Å; H173-T177 PolarHBondContact O-N 3.36Å; H173-T177 PolarHBondContact O-OG1 3.21Å |
| 174 | L | 74.8 | Confident | 80 | Confident | 76 Ų | 76 | 97.2 Ų | 97.2 | 40% | 0.398 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.1 | -44.1 | 177.5 | -71.5 | 173.9 | 0 | 0 | 0 | 112 | V170 K176 T177 E178 | V170-L174 HydrophobicContact CG1-CD1 3.99Å; V170-L174 HydrophobicContact CG1-CG 4.34Å; V170-L174 WeakPolarHBondContact O-CG 3.45Å; V170-L174 PolarHBondContact O-N 2.83Å; L174-K176 VanDerWaalsContact C-N 3.34Å; L174-K176 PolarHBondContact O-N 3.15Å; L174-T177 WeakPolarHBondContact CA-OG1 3.38Å; L174-T177 PolarHBondContact O-N 2.95Å; L174-T177 PolarHBondContact O-OG1 3.47Å; L174-E178 VanDerWaalsContact O-CB 3.24Å; L174-E178 WeakPolarHBondContact O-CB 3.27Å; L174-E178 PolarHBondContact O-N 2.92Å |
| 175 | K | 77.4 | Confident | 79 | Confident | 130 Ų | 130 | 98.6 Ų | 98.6 | 57% | 0.565 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.8 | -34.5 | 173.8 | -75.1 | 178.2 | 177.6 | -175.4 | 0 | 113.3 | S171 H173 K179 | S171-K175 WeakPolarHBondContact O-CB 3.36Å; S171-K175 WeakPolarHBondContact O-CG 3.45Å; S171-K175 PolarHBondContact O-N 3.07Å; H173-K175 PolarHBondContact O-N 2.95Å; K175-K179 WeakPolarHBondContact O-CB 3.39Å; K175-K179 PolarHBondContact O-N 3.44Å |
| 176 | K | 84 | Confident | 78.2 | Confident | 156 Ų | 156 | 103.2 Ų | 103.2 | 68% | 0.678 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -66.6 | -44.8 | 172.8 | -75.5 | 174.4 | 179.8 | -176.9 | 0 | 111.3 | S172 H173 L174 K179 A180 | S172-K176 WeakPolarHBondContact O-CG 3.38Å; S172-K176 PolarHBondContact O-N 2.9Å; S172-K176 VanDerWaalsContact O-N 3.07Å; H173-K176 WeakPolarHBondContact O-CB 3.49Å; H173-K176 PolarHBondContact O-N 2.9Å; H173-K176 VanDerWaalsContact O-N 3.09Å; L174-K176 VanDerWaalsContact C-N 3.34Å; L174-K176 PolarHBondContact O-N 3.15Å; K176-K179 PolarHBondContact O-N 3.25Å; K176-A180 WeakPolarHBondContact O-CB 3.43Å; K176-A180 PolarHBondContact O-N 3.41Å |
| 177 | T | 76.9 | Confident | 77.4 | Confident | 52 Ų | 52 | 98.6 Ų | 98.6 | 32% | 0.319 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.3 | -40 | 176.4 | 48.6 | 0 | 0 | 0 | 0 | 112.4 | H173 L174 A180 I181 | H173-T177 PolarHBondContact O-N 3.36Å; H173-T177 PolarHBondContact O-OG1 3.21Å; L174-T177 WeakPolarHBondContact CA-OG1 3.38Å; L174-T177 PolarHBondContact O-N 2.95Å; L174-T177 PolarHBondContact O-OG1 3.47Å; T177-A180 PolarHBondContact O-N 2.94Å; T177-I181 WeakPolarHBondContact O-CB 3.06Å; T177-I181 WeakPolarHBondContact O-CD1 3.4Å; T177-I181 WeakPolarHBondContact O-CG1 3.29Å; T177-I181 PolarHBondContact O-N 3.35Å |
| 178 | E | 81.9 | Confident | 76.4 | Confident | 123 Ų | 123 | 98.9 Ų | 98.9 | 58% | 0.575 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -59 | -47.7 | 175 | 179 | 175.2 | -140.5 | 0 | 0 | 111.1 | L174 A180 I181 N182 | L174-E178 VanDerWaalsContact O-CB 3.24Å; L174-E178 WeakPolarHBondContact O-CB 3.27Å; L174-E178 PolarHBondContact O-N 2.92Å; E178-A180 PolarHBondContact O-N 2.69Å; E178-I181 PolarHBondContact O-N 3.24Å; E178-N182 WeakPolarHBondContact O-CB 3.41Å; E178-N182 PolarHBondContact O-N 2.96Å |
| 179 | K | 82.9 | Confident | 75.3 | Confident | 163 Ų | 163 | 95.8 Ų | 95.8 | 71% | 0.709 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -62.6 | -42.6 | 175 | -173 | 176.4 | 179.9 | -179.2 | 0 | 112.4 | K175 K176 E183 | K175-K179 WeakPolarHBondContact O-CB 3.39Å; K175-K179 PolarHBondContact O-N 3.44Å; K176-K179 PolarHBondContact O-N 3.25Å; K179-E183 WeakPolarHBondContact O-CB 3.28Å; K179-E183 PolarHBondContact O-N 3.49Å |
| 180 | A | 80.5 | Confident | 74.3 | Confident | 62 Ų | 62 | 93.3 Ų | 93.3 | 51% | 0.512 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.3 | -42.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | K176 T177 E178 E183 F184 | K176-A180 WeakPolarHBondContact O-CB 3.43Å; K176-A180 PolarHBondContact O-N 3.41Å; T177-A180 PolarHBondContact O-N 2.94Å; E178-A180 PolarHBondContact O-N 2.69Å; A180-E183 PolarHBondContact O-N 2.88Å; A180-F184 WeakPolarHBondContact O-CB 3.47Å; A180-F184 PolarHBondContact O-N 3.42Å |
| 181 | I | 74.8 | Confident | 73.4 | Confident | 95 Ų | 95 | 97.9 Ų | 97.9 | 49% | 0.487 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.7 | -48.1 | 176.1 | -70.9 | 164.4 | 0 | 0 | 0 | 110.3 | T177 E178 E183 F184 F185 | T177-I181 WeakPolarHBondContact O-CB 3.06Å; T177-I181 WeakPolarHBondContact O-CD1 3.4Å; T177-I181 WeakPolarHBondContact O-CG1 3.29Å; T177-I181 PolarHBondContact O-N 3.35Å; E178-I181 PolarHBondContact O-N 3.24Å; I181-E183 VanDerWaalsContact C-N 3.31Å; I181-E183 PolarHBondContact O-N 3.26Å; I181-F184 PolarHBondContact O-N 2.91Å; I181-F185 HydrophobicContact CG2-CD2 3.66Å; I181-F185 HydrophobicContact CG2-CE2 3.69Å; I181-F185 VanDerWaalsContact O-CD2 3.3Å; I181-F185 WeakPolarHBondContact O-CD2 3.44Å; I181-F185 PolarHBondContact O-N 3.48Å |
| 182 | N | 73 | Confident | 72.8 | Confident | 106 Ų | 106 | 102 Ų | 102 | 57% | 0.567 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.6 | -38.7 | 178.8 | -172.8 | 82.2 | 0 | 0 | 0 | 112.1 | E178 R186 | E178-N182 WeakPolarHBondContact O-CB 3.41Å; E178-N182 PolarHBondContact O-N 2.96Å; N182-R186 VanDerWaalsContact O-CB 3.26Å; N182-R186 WeakPolarHBondContact O-CB 3.37Å; N182-R186 PolarHBondContact O-N 3.47Å |
| 183 | E | 78.6 | Confident | 71.7 | Confident | 74 Ų | 74 | 103.3 Ų | 103.3 | 35% | 0.346 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -71.3 | -37.9 | 177 | -165.4 | 66.2 | 178.7 | 0 | 0 | 112.6 | K179 A180 I181 R186 T187 | K179-E183 WeakPolarHBondContact O-CB 3.28Å; K179-E183 PolarHBondContact O-N 3.49Å; A180-E183 PolarHBondContact O-N 2.88Å; I181-E183 VanDerWaalsContact C-N 3.31Å; I181-E183 PolarHBondContact O-N 3.26Å; E183-R186 VanDerWaalsContact CD-NH2 3.26Å; E183-R186 PolarHBondContact O-N 3.27Å; E183-R186 IonicContact OE1-CZ 3.6Å; E183-R186 IonicContact OE1-NE 3.7Å; E183-R186 IonicContact OE1-NH2 2.71Å; E183-R186 PolarHBondContact OE1-NH2 3.09Å; E183-R186 IonicContact OE2-CZ 3.29Å; E183-R186 VanDerWaalsContact OE2-CZ 3.29Å; E183-R186 IonicContact OE2-NE 2.8Å; E183-R186 PolarHBondContact OE2-NE 2.91Å; E183-R186 IonicContact OE2-NH2 3Å; E183-R186 PolarHBondContact OE2-NH2 3.18Å; E183-T187 HydrophobicContact CG-CG2 4.44Å; E183-T187 WeakPolarHBondContact O-CB 3.48Å; E183-T187 WeakPolarHBondContact O-CG2 3.44Å; E183-T187 PolarHBondContact O-N 2.77Å; E183-T187 PolarHBondContact O-OG1 3.13Å |
| 184 | F | 67.9 | Low | 71.2 | Confident | 97 Ų | 97 | 102.8 Ų | 102.8 | 43% | 0.425 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.9 | -46 | 173.3 | -179.8 | -101.8 | 0 | 0 | 0 | 111.5 | A180 I181 R186 T187 E188 G189 | A180-F184 WeakPolarHBondContact O-CB 3.47Å; A180-F184 PolarHBondContact O-N 3.42Å; I181-F184 PolarHBondContact O-N 2.91Å; F184-R186 VanDerWaalsContact C-N 3.28Å; F184-R186 PolarHBondContact O-N 3.03Å; F184-T187 PolarHBondContact O-N 3.42Å; F184-E188 HydrophobicContact CE2-CB 4.29Å; F184-E188 PolarHBondContact O-N 2.79Å; F184-G189 PolarHBondContact O-N 3.32Å |
| 185 | F | 65.9 | Low | 71.1 | Confident | 108 Ų | 108 | 106.5 Ų | 106.5 | 47% | 0.474 | 52% | 0.52 | S | S | . | . | I | π-helix | trans | -62.4 | -34.7 | 174.3 | -84.7 | -67.1 | 0 | 0 | 0 | 113 | I181 G189 L193 | I181-F185 HydrophobicContact CG2-CD2 3.66Å; I181-F185 HydrophobicContact CG2-CE2 3.69Å; I181-F185 VanDerWaalsContact O-CD2 3.3Å; I181-F185 WeakPolarHBondContact O-CD2 3.44Å; I181-F185 PolarHBondContact O-N 3.48Å; F185-G189 PolarHBondContact O-N 3.05Å; F185-L193 HydrophobicContact CE1-CD1 4.16Å; F185-L193 HydrophobicContact CE1-CD2 4.18Å; F185-L193 HydrophobicContact CZ-CD1 4.36Å |
| 186 | R | 68 | Low | 70.5 | Confident | 175 Ų | 175 | 102.9 Ų | 102.9 | 66% | 0.66 | 52% | 0.515 | S | S | * | . | I | π-helix | trans | -74.8 | -25.4 | 179.4 | -168.9 | 171.1 | 79.2 | 111.4 | 4 | 114.1 | N182 E183 F184 | N182-R186 VanDerWaalsContact O-CB 3.26Å; N182-R186 WeakPolarHBondContact O-CB 3.37Å; N182-R186 PolarHBondContact O-N 3.47Å; E183-R186 VanDerWaalsContact CD-NH2 3.26Å; E183-R186 PolarHBondContact O-N 3.27Å; E183-R186 IonicContact OE1-CZ 3.6Å; E183-R186 IonicContact OE1-NE 3.7Å; E183-R186 IonicContact OE1-NH2 2.71Å; E183-R186 PolarHBondContact OE1-NH2 3.09Å; E183-R186 IonicContact OE2-CZ 3.29Å; E183-R186 VanDerWaalsContact OE2-CZ 3.29Å; E183-R186 IonicContact OE2-NE 2.8Å; E183-R186 PolarHBondContact OE2-NE 2.91Å; E183-R186 IonicContact OE2-NH2 3Å; E183-R186 PolarHBondContact OE2-NH2 3.18Å; F184-R186 VanDerWaalsContact C-N 3.28Å; F184-R186 PolarHBondContact O-N 3.03Å |
| 187 | T | 66.6 | Low | 69.7 | Low | 91 Ų | 91 | 102.1 Ų | 102.1 | 56% | 0.558 | 51% | 0.508 | S | S | * | . | I | π-helix | trans | -111.1 | -35.2 | -172 | 53.1 | 0 | 0 | 0 | 0 | 114.5 | E183 F184 | E183-T187 HydrophobicContact CG-CG2 4.44Å; E183-T187 WeakPolarHBondContact O-CB 3.48Å; E183-T187 WeakPolarHBondContact O-CG2 3.44Å; E183-T187 PolarHBondContact O-N 2.77Å; E183-T187 PolarHBondContact O-OG1 3.13Å; F184-T187 PolarHBondContact O-N 3.42Å |
| 188 | E | 62.9 | Low | 69.3 | Low | 83 Ų | 83 | 102.8 Ų | 102.8 | 39% | 0.388 | 51% | 0.508 | S | S | . | . | I | π-helix | trans | -131.1 | -5.4 | 179.7 | -56.3 | -156.5 | 129.7 | 0 | 0 | 114.1 | F184 K192 | F184-E188 HydrophobicContact CE2-CB 4.29Å; F184-E188 PolarHBondContact O-N 2.79Å; E188-K192 HydrophobicContact CB-CD 4.13Å; E188-K192 HydrophobicContact CB-CG 4.46Å; E188-K192 WeakPolarHBondContact O-CB 3.46Å; E188-K192 PolarHBondContact O-N 3.48Å; E188-K192 WeakPolarHBondContact OE1-CE 3.3Å; E188-K192 IonicContact OE1-NZ 3.18Å; E188-K192 PolarHBondContact OE1-NZ 2.99Å; E188-K192 WeakPolarHBondContact OE2-CD 3.5Å; E188-K192 WeakPolarHBondContact OE2-CE 3.48Å; E188-K192 IonicContact OE2-NZ 2.73Å; E188-K192 PolarHBondContact OE2-NZ 3.06Å |
| 189 | G | 58.7 | Low | 68.7 | Low | 3 Ų | 3 | 101.8 Ų | 101.8 | 3% | 0.031 | 51% | 0.506 | C | S | . | . | I | π-helix | trans | -52.5 | -65.2 | -163.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | F184 F185 E191 L193 | F184-G189 PolarHBondContact O-N 3.32Å; F185-G189 PolarHBondContact O-N 3.05Å; G189-E191 PolarHBondContact O-N 3.29Å; G189-L193 WeakPolarHBondContact O-CB 3.45Å; G189-L193 PolarHBondContact O-N 2.86Å |
| 190 | A | 60.9 | Low | 67.9 | Low | 86 Ų | 86 | 96.6 Ų | 96.6 | 71% | 0.711 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -58.7 | -53.2 | -166.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q194 | A190-Q194 VanDerWaalsContact O-CB 3.23Å; A190-Q194 WeakPolarHBondContact O-CB 3.29Å; A190-Q194 PolarHBondContact O-N 2.97Å; A190-Q194 VanDerWaalsContact O-N 3.11Å |
| 191 | E | 65.6 | Low | 67 | Low | 170 Ų | 170 | 99.9 Ų | 99.9 | 79% | 0.794 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -69.4 | -46.3 | -178.4 | -72.6 | -164.6 | 110.9 | 0 | 0 | 112.9 | G189 Q194 K195 | G189-E191 PolarHBondContact O-N 3.29Å; E191-Q194 PolarHBondContact O-N 2.85Å; E191-K195 VanDerWaalsContact O-CB 3.27Å; E191-K195 WeakPolarHBondContact O-CB 3.4Å; E191-K195 PolarHBondContact O-N 3.14Å |
| 192 | K | 64.1 | Low | 66.2 | Low | 106 Ų | 106 | 105.2 Ų | 105.2 | 46% | 0.461 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -73.6 | -34.4 | -176.3 | -67 | -163.8 | -171.3 | 174.2 | 0 | 112.4 | E188 K195 A196 | E188-K192 HydrophobicContact CB-CD 4.13Å; E188-K192 HydrophobicContact CB-CG 4.46Å; E188-K192 WeakPolarHBondContact O-CB 3.46Å; E188-K192 PolarHBondContact O-N 3.48Å; E188-K192 WeakPolarHBondContact OE1-CE 3.3Å; E188-K192 IonicContact OE1-NZ 3.18Å; E188-K192 PolarHBondContact OE1-NZ 2.99Å; E188-K192 WeakPolarHBondContact OE2-CD 3.5Å; E188-K192 WeakPolarHBondContact OE2-CE 3.48Å; E188-K192 IonicContact OE2-NZ 2.73Å; E188-K192 PolarHBondContact OE2-NZ 3.06Å; K192-K195 PolarHBondContact O-N 2.9Å; K192-A196 VanDerWaalsContact O-CB 3.23Å; K192-A196 WeakPolarHBondContact O-CB 3.19Å; K192-A196 PolarHBondContact O-N 2.84Å |
| 193 | L | 64.4 | Low | 65.8 | Low | 92 Ų | 92 | 105.5 Ų | 105.5 | 48% | 0.482 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.1 | -43.5 | 173.6 | -163.2 | 94.2 | 0 | 0 | 0 | 110.9 | F185 G189 K195 A196 Y197 | F185-L193 HydrophobicContact CE1-CD1 4.16Å; F185-L193 HydrophobicContact CE1-CD2 4.18Å; F185-L193 HydrophobicContact CZ-CD1 4.36Å; G189-L193 WeakPolarHBondContact O-CB 3.45Å; G189-L193 PolarHBondContact O-N 2.86Å; L193-K195 VanDerWaalsContact C-N 3.33Å; L193-K195 PolarHBondContact O-N 3.28Å; L193-A196 PolarHBondContact O-N 2.85Å; L193-Y197 VanDerWaalsContact O-CB 3.26Å; L193-Y197 WeakPolarHBondContact O-CB 3.48Å; L193-Y197 PolarHBondContact O-N 2.83Å |
| 194 | Q | 65.6 | Low | 64.4 | Low | 111 Ų | 111 | 106.1 Ų | 106.1 | 52% | 0.519 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.1 | -40.8 | 176.6 | -169.7 | 66 | 15.4 | 0 | 0 | 111.5 | A190 E191 Y197 E198 | A190-Q194 VanDerWaalsContact O-CB 3.23Å; A190-Q194 WeakPolarHBondContact O-CB 3.29Å; A190-Q194 PolarHBondContact O-N 2.97Å; A190-Q194 VanDerWaalsContact O-N 3.11Å; E191-Q194 PolarHBondContact O-N 2.85Å; Q194-Y197 PolarHBondContact O-N 3.31Å; Q194-E198 PolarHBondContact O-N 2.96Å |
| 195 | K | 71.9 | Confident | 63.7 | Low | 153 Ų | 153 | 109.2 Ų | 109.2 | 67% | 0.665 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -66.9 | -40.8 | 176 | -166.3 | 169.2 | -174 | 171.8 | 0 | 112.1 | E191 K192 L193 I199 | E191-K195 VanDerWaalsContact O-CB 3.27Å; E191-K195 WeakPolarHBondContact O-CB 3.4Å; E191-K195 PolarHBondContact O-N 3.14Å; K192-K195 PolarHBondContact O-N 2.9Å; L193-K195 VanDerWaalsContact C-N 3.33Å; L193-K195 PolarHBondContact O-N 3.28Å; K195-I199 HydrophobicContact CG-CD1 4.37Å; K195-I199 WeakPolarHBondContact O-CB 3.21Å; K195-I199 WeakPolarHBondContact O-CD1 3.43Å; K195-I199 VanDerWaalsContact O-CG1 3.22Å; K195-I199 WeakPolarHBondContact O-CG1 3.33Å; K195-I199 PolarHBondContact O-N 2.67Å |
| 196 | A | 65.3 | Low | 63 | Low | 54 Ų | 54 | 110 Ų | 110 | 45% | 0.446 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -66.7 | -36.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | K192 L193 I199 A200 | K192-A196 VanDerWaalsContact O-CB 3.23Å; K192-A196 WeakPolarHBondContact O-CB 3.19Å; K192-A196 PolarHBondContact O-N 2.84Å; L193-A196 PolarHBondContact O-N 2.85Å; A196-I199 PolarHBondContact O-N 2.96Å; A196-A200 WeakPolarHBondContact O-CB 3.49Å; A196-A200 PolarHBondContact O-N 3.15Å |
| 197 | Y | 68.1 | Low | 62.1 | Low | 140 Ų | 140 | 106.8 Ų | 106.8 | 55% | 0.549 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.9 | -47.2 | 175.9 | 179 | -97.6 | 0 | 0 | 0 | 112 | L193 Q194 I199 A200 K201 | L193-Y197 VanDerWaalsContact O-CB 3.26Å; L193-Y197 WeakPolarHBondContact O-CB 3.48Å; L193-Y197 PolarHBondContact O-N 2.83Å; Q194-Y197 PolarHBondContact O-N 3.31Å; Y197-I199 VanDerWaalsContact C-N 3.28Å; Y197-I199 PolarHBondContact O-N 3.29Å; Y197-A200 PolarHBondContact O-N 3.35Å; Y197-K201 HydrophobicContact CE1-CD 4.32Å; Y197-K201 VanDerWaalsContact O-CB 3.24Å; Y197-K201 WeakPolarHBondContact O-CB 3.47Å; Y197-K201 PolarHBondContact O-N 3.38Å |
| 198 | E | 67.2 | Low | 61.4 | Low | 66 Ų | 66 | 104.6 Ų | 104.6 | 31% | 0.308 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -68.6 | -24.7 | 175.2 | -74.3 | -63.4 | 132.9 | 0 | 0 | 113.2 | Q194 K201 R202 | Q194-E198 PolarHBondContact O-N 2.96Å; E198-K201 VanDerWaalsContact CD-NZ 3.31Å; E198-K201 VanDerWaalsContact OE1-CD 3.25Å; E198-K201 WeakPolarHBondContact OE1-CD 3.15Å; E198-K201 IonicContact OE1-NZ 2.71Å; E198-K201 PolarHBondContact OE1-NZ 3Å; E198-K201 IonicContact OE2-NZ 3.28Å; E198-K201 PolarHBondContact OE2-NZ 2.95Å; E198-R202 WeakPolarHBondContact O-CG 3.22Å; E198-R202 PolarHBondContact O-N 2.92Å |
| 199 | I | 70.6 | Confident | 61.2 | Low | 103 Ų | 103 | 104.3 Ų | 104.3 | 53% | 0.528 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -69.9 | -49.5 | 167 | -71.4 | 164.8 | 0 | 0 | 0 | 110.3 | K195 A196 Y197 K201 R202 I203 | K195-I199 HydrophobicContact CG-CD1 4.37Å; K195-I199 WeakPolarHBondContact O-CB 3.21Å; K195-I199 WeakPolarHBondContact O-CD1 3.43Å; K195-I199 VanDerWaalsContact O-CG1 3.22Å; K195-I199 WeakPolarHBondContact O-CG1 3.33Å; K195-I199 PolarHBondContact O-N 2.67Å; A196-I199 PolarHBondContact O-N 2.96Å; Y197-I199 VanDerWaalsContact C-N 3.28Å; Y197-I199 PolarHBondContact O-N 3.29Å; I199-K201 VanDerWaalsContact C-N 3.29Å; I199-K201 PolarHBondContact O-N 3.02Å; I199-R202 CarbonylContact O-C 3.6Å; I199-R202 WeakPolarHBondContact O-CA 3.16Å; I199-R202 WeakPolarHBondContact O-CB 3.46Å; I199-R202 PolarHBondContact O-N 2.81Å; I199-I203 PolarHBondContact O-N 2.84Å; I199-I203 VanDerWaalsContact O-N 3.16Å |
| 200 | A | 64.6 | Low | 61 | Low | 54 Ų | 54 | 111.2 Ų | 111.2 | 45% | 0.446 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -60.7 | -37.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | A196 Y197 R202 I203 | A196-A200 WeakPolarHBondContact O-CB 3.49Å; A196-A200 PolarHBondContact O-N 3.15Å; Y197-A200 PolarHBondContact O-N 3.35Å; A200-R202 PolarHBondContact O-N 2.97Å; A200-I203 WeakPolarHBondContact O-CB 3.38Å; A200-I203 PolarHBondContact O-N 2.81Å; A200-I203 VanDerWaalsContact O-N 3.1Å |
| 201 | K | 61.4 | Low | 60.8 | Low | 131 Ų | 131 | 110.7 Ų | 110.7 | 57% | 0.57 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | -18.1 | 173.9 | -171.1 | -172.6 | -179.3 | -165 | 0 | 113.8 | Y197 E198 I199 | Y197-K201 HydrophobicContact CE1-CD 4.32Å; Y197-K201 VanDerWaalsContact O-CB 3.24Å; Y197-K201 WeakPolarHBondContact O-CB 3.47Å; Y197-K201 PolarHBondContact O-N 3.38Å; E198-K201 VanDerWaalsContact CD-NZ 3.31Å; E198-K201 VanDerWaalsContact OE1-CD 3.25Å; E198-K201 WeakPolarHBondContact OE1-CD 3.15Å; E198-K201 IonicContact OE1-NZ 2.71Å; E198-K201 PolarHBondContact OE1-NZ 3Å; E198-K201 IonicContact OE2-NZ 3.28Å; E198-K201 PolarHBondContact OE2-NZ 2.95Å; I199-K201 VanDerWaalsContact C-N 3.29Å; I199-K201 PolarHBondContact O-N 3.02Å |
| 202 | R | 59.8 | Low | 60.3 | Low | 207 Ų | 207 | 108.4 Ų | 108.4 | 78% | 0.781 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.1 | -11.5 | 171.9 | -72.5 | 174.4 | 177.8 | -95 | -0.2 | 113.3 | E198 I199 A200 P204 | E198-R202 WeakPolarHBondContact O-CG 3.22Å; E198-R202 PolarHBondContact O-N 2.92Å; I199-R202 CarbonylContact O-C 3.6Å; I199-R202 WeakPolarHBondContact O-CA 3.16Å; I199-R202 WeakPolarHBondContact O-CB 3.46Å; I199-R202 PolarHBondContact O-N 2.81Å; A200-R202 PolarHBondContact O-N 2.97Å; R202-P204 WeakPolarHBondContact O-CD 3.48Å |
| 203 | I | 63.6 | Low | 60.2 | Low | 112 Ų | 112 | 107.5 Ų | 107.5 | 57% | 0.574 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -70.4 | 117.7 | 161.4 | -53.5 | 175.8 | 0 | 0 | 0 | 105.3 | I199 A200 | I199-I203 PolarHBondContact O-N 2.84Å; I199-I203 VanDerWaalsContact O-N 3.16Å; A200-I203 WeakPolarHBondContact O-CB 3.38Å; A200-I203 PolarHBondContact O-N 2.81Å; A200-I203 VanDerWaalsContact O-N 3.1Å |
| 204 | P | 48.9 | Very low | 59.9 | Low | 86 Ų | 86 | 111.6 Ų | 111.6 | 56% | 0.558 | 56% | 0.563 | S | S | * | * | trans | -61.3 | 155.7 | 177.2 | 28.6 | -35.6 | 0 | 0 | 0 | 109.2 | R202 I206 | R202-P204 WeakPolarHBondContact O-CD 3.48Å; P204-I206 HydrophobicContact CB-CD1 4.15Å; P204-I206 HydrophobicContact CB-CG1 4.05Å; P204-I206 HydrophobicContact CG-CD1 3.85Å; P204-I206 HydrophobicContact CG-CG1 4.03Å; P204-I206 PolarHBondContact O-N 3.13Å | ||
| 205 | I | 52.8 | Low | 59.7 | Low | 163 Ų | 163 | 109 Ų | 109 | 84% | 0.836 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -73.8 | 69.6 | -179.9 | -50.1 | -179.4 | 0 | 0 | 0 | 109.8 | ||
| 206 | I | 51 | Low | 59.4 | Low | 124 Ų | 124 | 106.3 Ų | 106.3 | 64% | 0.636 | 55% | 0.548 | S | S | * | . | trans | -123.8 | 46.4 | 173.7 | -41 | 178.2 | 0 | 0 | 0 | 106.9 | P204 S208 | P204-I206 HydrophobicContact CB-CD1 4.15Å; P204-I206 HydrophobicContact CB-CG1 4.05Å; P204-I206 HydrophobicContact CG-CD1 3.85Å; P204-I206 HydrophobicContact CG-CG1 4.03Å; P204-I206 PolarHBondContact O-N 3.13Å; I206-S208 PolarHBondContact O-N 3.22Å | ||
| 207 | T | 49.8 | Very low | 59.4 | Low | 108 Ų | 108 | 107.7 Ų | 107.7 | 66% | 0.663 | 55% | 0.551 | S | S | * | * | S | Bend | -53.5 | 89.9 | 127.2 | 48.5 | 0 | 0 | 0 | 0 | 105.4 | T211 | T207-T211 VanDerWaalsContact C-OG1 3.25Š| |
| 208 | S | 52.5 | Low | 59.4 | Low | 44 Ų | 44 | 105 Ų | 105 | 31% | 0.308 | 55% | 0.549 | S | S | . | . | trans | -43.7 | 149.5 | -167.2 | 64 | 0 | 0 | 0 | 0 | 112.5 | I206 K210 T211 M212 | I206-S208 PolarHBondContact O-N 3.22Å; S208-K210 PolarHBondContact O-N 3.46Å; S208-T211 PolarHBondContact N-OG1 2.8Å; S208-T211 WeakPolarHBondContact O-CA 3.42Å; S208-T211 PolarHBondContact O-N 3.26Å; S208-T211 PolarHBondContact O-OG1 3.02Å; S208-T211 PolarHBondContact OG-N 2.85Å; S208-T211 VanDerWaalsContact OG-N 3.13Å; S208-T211 PolarHBondContact OG-OG1 2.94Å; S208-M212 PolarHBondContact O-N 3.32Å | ||
| 209 | A | 59.2 | Low | 59.1 | Low | 78 Ų | 78 | 109 Ų | 109 | 65% | 0.645 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -49.2 | -36.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | T211 M212 E213 | A209-T211 PolarHBondContact O-N 3.41Å; A209-M212 WeakPolarHBondContact O-CB 3.23Å; A209-M212 PolarHBondContact O-N 2.98Å; A209-M212 VanDerWaalsContact O-N 3.09Å; A209-E213 WeakPolarHBondContact O-CG 3.47Å; A209-E213 PolarHBondContact O-N 3.2Å |
| 210 | K | 54.3 | Low | 59.2 | Low | 148 Ų | 148 | 108.8 Ų | 108.8 | 64% | 0.643 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -55.2 | -43.2 | 171.8 | -163.6 | 169.3 | -174.4 | 172.9 | 0 | 114.2 | S208 E213 W214 | S208-K210 PolarHBondContact O-N 3.46Å; K210-E213 PolarHBondContact O-N 3.35Å; K210-W214 WeakPolarHBondContact O-CB 3.33Å; K210-W214 PolarHBondContact O-N 2.89Å |
| 211 | T | 55.3 | Low | 59.3 | Low | 75 Ų | 75 | 112.3 Ų | 112.3 | 46% | 0.46 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -71.8 | -29.2 | 174.4 | 30.5 | 0 | 0 | 0 | 0 | 113.1 | T207 S208 A209 A215 | T207-T211 VanDerWaalsContact C-OG1 3.25Å; S208-T211 PolarHBondContact N-OG1 2.8Å; S208-T211 WeakPolarHBondContact O-CA 3.42Å; S208-T211 PolarHBondContact O-N 3.26Å; S208-T211 PolarHBondContact O-OG1 3.02Å; S208-T211 PolarHBondContact OG-N 2.85Å; S208-T211 VanDerWaalsContact OG-N 3.13Å; S208-T211 PolarHBondContact OG-OG1 2.94Å; A209-T211 PolarHBondContact O-N 3.41Å; T211-A215 WeakPolarHBondContact O-CB 3.45Å; T211-A215 PolarHBondContact O-N 2.66Å |
| 212 | M | 56 | Low | 59.6 | Low | 121 Ų | 121 | 110.3 Ų | 110.3 | 60% | 0.596 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -69.7 | -42.6 | 171.1 | -162.1 | -176 | -163.4 | 0 | 0 | 111.6 | S208 A209 A215 K216 | S208-M212 PolarHBondContact O-N 3.32Å; A209-M212 WeakPolarHBondContact O-CB 3.23Å; A209-M212 PolarHBondContact O-N 2.98Å; A209-M212 VanDerWaalsContact O-N 3.09Å; M212-A215 PolarHBondContact O-N 2.71Å; M212-K216 WeakPolarHBondContact O-CG 3.25Å; M212-K216 PolarHBondContact O-N 2.82Å |
| 213 | E | 62.1 | Low | 59.9 | Low | 87 Ų | 87 | 106.2 Ų | 106.2 | 41% | 0.407 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.5 | -38.9 | 173 | -62.9 | -39 | 120.2 | 0 | 0 | 111.9 | A209 K210 A215 K216 V217 | A209-E213 WeakPolarHBondContact O-CG 3.47Å; A209-E213 PolarHBondContact O-N 3.2Å; K210-E213 PolarHBondContact O-N 3.35Å; E213-A215 VanDerWaalsContact C-N 3.35Å; E213-A215 PolarHBondContact O-N 2.85Å; E213-K216 PolarHBondContact O-N 3.07Å; E213-K216 IonicContact OE1-NZ 3.15Å; E213-K216 PolarHBondContact OE1-NZ 3.5Å; E213-K216 VanDerWaalsContact OE2-CD 3.27Å; E213-K216 WeakPolarHBondContact OE2-CD 3.07Å; E213-K216 IonicContact OE2-NZ 2.71Å; E213-K216 PolarHBondContact OE2-NZ 2.93Å; E213-V217 WeakPolarHBondContact O-CB 3.31Å; E213-V217 VanDerWaalsContact O-CG2 3.28Å; E213-V217 WeakPolarHBondContact O-CG2 3.37Å; E213-V217 PolarHBondContact O-N 3.32Å |
| 214 | W | 58.7 | Low | 60.3 | Low | 179 Ų | 179 | 103.8 Ų | 103.8 | 68% | 0.678 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -64.6 | -37.8 | 174.4 | -81.6 | 44.8 | 0 | 0 | 0 | 112.4 | K210 T218 | K210-W214 WeakPolarHBondContact O-CB 3.33Å; K210-W214 PolarHBondContact O-N 2.89Å; W214-T218 WeakPolarHBondContact O-CB 3.36Å; W214-T218 PolarHBondContact O-N 3.48Å; W214-T218 PolarHBondContact O-OG1 2.88Å |
| 215 | A | 61.3 | Low | 61.3 | Low | 55 Ų | 55 | 106.4 Ų | 106.4 | 46% | 0.455 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -64.9 | -44.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | T211 M212 E213 T218 Q219 | T211-A215 WeakPolarHBondContact O-CB 3.45Å; T211-A215 PolarHBondContact O-N 2.66Å; M212-A215 PolarHBondContact O-N 2.71Å; E213-A215 VanDerWaalsContact C-N 3.35Å; E213-A215 PolarHBondContact O-N 2.85Å; A215-T218 PolarHBondContact O-N 3.47Å; A215-Q219 PolarHBondContact O-N 2.83Å |
| 216 | K | 64.3 | Low | 61.8 | Low | 97 Ų | 97 | 100.9 Ų | 100.9 | 42% | 0.422 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -59.8 | -48 | 173.5 | -70.3 | 167.4 | -179.2 | 173.7 | 0 | 111.9 | M212 E213 T218 Q219 L220 | M212-K216 WeakPolarHBondContact O-CG 3.25Å; M212-K216 PolarHBondContact O-N 2.82Å; E213-K216 PolarHBondContact O-N 3.07Å; E213-K216 IonicContact OE1-NZ 3.15Å; E213-K216 PolarHBondContact OE1-NZ 3.5Å; E213-K216 VanDerWaalsContact OE2-CD 3.27Å; E213-K216 WeakPolarHBondContact OE2-CD 3.07Å; E213-K216 IonicContact OE2-NZ 2.71Å; E213-K216 PolarHBondContact OE2-NZ 2.93Å; K216-T218 VanDerWaalsContact C-N 3.3Å; K216-T218 PolarHBondContact O-N 3.34Å; K216-Q219 PolarHBondContact O-N 2.92Å; K216-L220 WeakPolarHBondContact O-CB 3.4Å; K216-L220 PolarHBondContact O-N 2.97Å |
| 217 | V | 66.2 | Low | 62.9 | Low | 83 Ų | 83 | 101 Ų | 101 | 50% | 0.503 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.9 | -38.8 | 178 | 168.1 | 0 | 0 | 0 | 0 | 111 | E213 L220 K221 | E213-V217 WeakPolarHBondContact O-CB 3.31Å; E213-V217 VanDerWaalsContact O-CG2 3.28Å; E213-V217 WeakPolarHBondContact O-CG2 3.37Å; E213-V217 PolarHBondContact O-N 3.32Å; V217-L220 PolarHBondContact O-N 3.42Å; V217-K221 HydrophobicContact CG1-CG 4.35Å; V217-K221 VanDerWaalsContact O-CB 3.27Å; V217-K221 WeakPolarHBondContact O-CB 3.37Å; V217-K221 VanDerWaalsContact O-CG 3.28Å; V217-K221 WeakPolarHBondContact O-CG 3.23Å; V217-K221 PolarHBondContact O-N 3.42Å |
| 218 | T | 66.9 | Low | 63.6 | Low | 85 Ų | 85 | 102.1 Ų | 102.1 | 52% | 0.521 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.7 | -43.6 | 175.9 | -57.9 | 0 | 0 | 0 | 0 | 111.5 | W214 A215 K216 T222 | W214-T218 WeakPolarHBondContact O-CB 3.36Å; W214-T218 PolarHBondContact O-N 3.48Å; W214-T218 PolarHBondContact O-OG1 2.88Å; A215-T218 PolarHBondContact O-N 3.47Å; K216-T218 VanDerWaalsContact C-N 3.3Å; K216-T218 PolarHBondContact O-N 3.34Å; T218-T222 VanDerWaalsContact O-CB 3.32Å; T218-T222 WeakPolarHBondContact O-CB 3.39Å; T218-T222 PolarHBondContact O-N 2.71Å; T218-T222 PolarHBondContact O-OG1 3.31Å |
| 219 | Q | 62.4 | Low | 63.9 | Low | 150 Ų | 150 | 105.5 Ų | 105.5 | 70% | 0.701 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63 | -45.8 | 174.1 | -77.3 | -167.8 | -52.1 | 0 | 0 | 111.9 | A215 K216 T222 M223 | A215-Q219 PolarHBondContact O-N 2.83Å; K216-Q219 PolarHBondContact O-N 2.92Å; Q219-T222 PolarHBondContact O-N 3.08Å; Q219-M223 WeakPolarHBondContact O-CB 3.12Å; Q219-M223 PolarHBondContact O-N 3.09Å |
| 220 | L | 71.3 | Confident | 64.4 | Low | 98 Ų | 98 | 106.9 Ų | 106.9 | 51% | 0.513 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -59.9 | -49.9 | 178.2 | -169.9 | 73.8 | 0 | 0 | 0 | 111 | K216 V217 T222 M223 E224 | K216-L220 WeakPolarHBondContact O-CB 3.4Å; K216-L220 PolarHBondContact O-N 2.97Å; V217-L220 PolarHBondContact O-N 3.42Å; L220-T222 VanDerWaalsContact C-N 3.29Å; L220-T222 PolarHBondContact O-N 3.19Å; L220-M223 PolarHBondContact O-N 3.4Å; L220-M223 VanDerWaalsContact O-N 3.14Å; L220-E224 WeakPolarHBondContact O-CG 3.37Å; L220-E224 PolarHBondContact O-N 3.42Å |
| 221 | K | 66.6 | Low | 65.2 | Low | 128 Ų | 128 | 105.2 Ų | 105.2 | 56% | 0.557 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -59.8 | -37.5 | 176.2 | -77.7 | -75.5 | 163.6 | -139.1 | 0 | 112.9 | V217 E224 F225 | V217-K221 HydrophobicContact CG1-CG 4.35Å; V217-K221 VanDerWaalsContact O-CB 3.27Å; V217-K221 WeakPolarHBondContact O-CB 3.37Å; V217-K221 VanDerWaalsContact O-CG 3.28Å; V217-K221 WeakPolarHBondContact O-CG 3.23Å; V217-K221 PolarHBondContact O-N 3.42Å; K221-E224 IonicContact NZ-OE2 2.63Å; K221-E224 PolarHBondContact NZ-OE2 2.72Å; K221-F225 VanDerWaalsContact O-CB 3.31Å; K221-F225 WeakPolarHBondContact O-CB 3.37Å; K221-F225 PolarHBondContact O-N 3.04Å |
| 222 | T | 67.7 | Low | 65.5 | Low | 88 Ų | 88 | 107.2 Ų | 107.2 | 54% | 0.54 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -69 | -38.3 | 176.9 | -56.1 | 0 | 0 | 0 | 0 | 111.3 | T218 Q219 L220 A226 | T218-T222 VanDerWaalsContact O-CB 3.32Å; T218-T222 WeakPolarHBondContact O-CB 3.39Å; T218-T222 PolarHBondContact O-N 2.71Å; T218-T222 PolarHBondContact O-OG1 3.31Å; Q219-T222 PolarHBondContact O-N 3.08Å; L220-T222 VanDerWaalsContact C-N 3.29Å; L220-T222 PolarHBondContact O-N 3.19Å; T222-A226 VanDerWaalsContact O-CB 3.3Å; T222-A226 WeakPolarHBondContact O-CB 3.49Å; T222-A226 PolarHBondContact O-N 3.12Å |
| 223 | M | 66.7 | Low | 65.4 | Low | 122 Ų | 122 | 104.7 Ų | 104.7 | 60% | 0.601 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -70.1 | -39 | 175.4 | -169.5 | -175.4 | -173.9 | 0 | 0 | 112.3 | Q219 L220 R227 | Q219-M223 WeakPolarHBondContact O-CB 3.12Å; Q219-M223 PolarHBondContact O-N 3.09Å; L220-M223 PolarHBondContact O-N 3.4Å; L220-M223 VanDerWaalsContact O-N 3.14Å; M223-R227 WeakPolarHBondContact O-CB 3.38Å; M223-R227 PolarHBondContact O-N 2.82Å |
| 224 | E | 72.6 | Confident | 65.2 | Low | 60 Ų | 60 | 108.9 Ų | 108.9 | 28% | 0.28 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.2 | -47.1 | 172.4 | -72.7 | 175 | 165.1 | 0 | 0 | 111.5 | L220 K221 R227 H228 | L220-E224 WeakPolarHBondContact O-CG 3.37Å; L220-E224 PolarHBondContact O-N 3.42Å; K221-E224 IonicContact NZ-OE2 2.63Å; K221-E224 PolarHBondContact NZ-OE2 2.72Å; E224-R227 PolarHBondContact O-N 2.9Å; E224-H228 PolarHBondContact O-N 2.81Å |
| 225 | F | 69 | Low | 65.1 | Low | 142 Ų | 142 | 104.3 Ų | 104.3 | 62% | 0.623 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.4 | -42.2 | 177.1 | -176.5 | -98.4 | 0 | 0 | 0 | 112 | K221 R227 H228 M229 | K221-F225 VanDerWaalsContact O-CB 3.31Å; K221-F225 WeakPolarHBondContact O-CB 3.37Å; K221-F225 PolarHBondContact O-N 3.04Å; F225-R227 PolarHBondContact O-N 2.93Å; F225-H228 PolarHBondContact O-N 3.46Å; F225-M229 HydrophobicContact CE1-SD 4.33Å; F225-M229 WeakPolarHBondContact O-CB 3.47Å; F225-M229 PolarHBondContact O-N 3.09Å |
| 226 | A | 64.4 | Low | 64.8 | Low | 46 Ų | 46 | 106 Ų | 106 | 38% | 0.38 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60.2 | -44.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | T222 M229 E230 | T222-A226 VanDerWaalsContact O-CB 3.3Å; T222-A226 WeakPolarHBondContact O-CB 3.49Å; T222-A226 PolarHBondContact O-N 3.12Å; A226-M229 PolarHBondContact O-N 2.94Å; A226-E230 WeakPolarHBondContact O-CB 3.24Å; A226-E230 PolarHBondContact O-N 2.79Å |
| 227 | R | 73.2 | Confident | 64 | Low | 127 Ų | 127 | 106.9 Ų | 106.9 | 48% | 0.479 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -62.1 | -47 | 176.9 | -166.9 | -169.7 | -52 | 109.4 | 4.1 | 111.9 | M223 E224 F225 M229 E230 E231 | M223-R227 WeakPolarHBondContact O-CB 3.38Å; M223-R227 PolarHBondContact O-N 2.82Å; E224-R227 PolarHBondContact O-N 2.9Å; F225-R227 PolarHBondContact O-N 2.93Å; R227-M229 VanDerWaalsContact C-N 3.27Å; R227-M229 PolarHBondContact O-N 2.97Å; R227-E230 WeakPolarHBondContact O-CB 3.28Å; R227-E230 PolarHBondContact O-N 2.86Å; R227-E230 VanDerWaalsContact O-N 3.15Å; R227-E231 WeakPolarHBondContact O-CB 3.37Å; R227-E231 PolarHBondContact O-N 2.88Å |
| 228 | H | 65.4 | Low | 63.1 | Low | 132 Ų | 132 | 109 Ų | 109 | 61% | 0.611 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -59.9 | -38.2 | 175.4 | -94.1 | -47.2 | 0 | 0 | 0 | 112.3 | E224 F225 E231 L232 | E224-H228 PolarHBondContact O-N 2.81Å; F225-H228 PolarHBondContact O-N 3.46Å; H228-E231 IonicContact ND1-OE2 2.72Å; H228-E231 PolarHBondContact O-N 2.8Å; H228-L232 VanDerWaalsContact O-CB 3.29Å; H228-L232 WeakPolarHBondContact O-CB 3.03Å; H228-L232 PolarHBondContact O-N 3.03Å |
| 229 | M | 59.2 | Low | 62.1 | Low | 115 Ų | 115 | 109.4 Ų | 109.4 | 57% | 0.567 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -70 | -33.9 | 176.5 | -168.7 | 170.4 | 62.5 | 0 | 0 | 112.3 | F225 A226 R227 A233 | F225-M229 HydrophobicContact CE1-SD 4.33Å; F225-M229 WeakPolarHBondContact O-CB 3.47Å; F225-M229 PolarHBondContact O-N 3.09Å; A226-M229 PolarHBondContact O-N 2.94Å; R227-M229 VanDerWaalsContact C-N 3.27Å; R227-M229 PolarHBondContact O-N 2.97Å; M229-A233 VanDerWaalsContact O-CB 3.28Å; M229-A233 WeakPolarHBondContact O-CB 3.35Å; M229-A233 PolarHBondContact O-N 3.16Å |
| 230 | E | 69.9 | Low | 61.2 | Low | 106 Ų | 106 | 110.4 Ų | 110.4 | 50% | 0.495 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -72.9 | -29.2 | 174.2 | -152.3 | -160.7 | 122.2 | 0 | 0 | 112.8 | A226 R227 R234 | A226-E230 WeakPolarHBondContact O-CB 3.24Å; A226-E230 PolarHBondContact O-N 2.79Å; R227-E230 WeakPolarHBondContact O-CB 3.28Å; R227-E230 PolarHBondContact O-N 2.86Å; R227-E230 VanDerWaalsContact O-N 3.15Å; E230-R234 PolarHBondContact O-N 2.92Å; E230-R234 PolarHBondContact O-NH1 2.83Å; E230-R234 IonicContact OE1-CZ 3.86Å; E230-R234 IonicContact OE1-NH1 2.8Å; E230-R234 PolarHBondContact OE1-NH1 3.45Å; E230-R234 IonicContact OE1-NH2 2.66Å; E230-R234 PolarHBondContact OE1-NH2 2.85Å |
| 231 | E | 69.8 | Low | 60 | Low | 113 Ų | 113 | 111.2 Ų | 111.2 | 53% | 0.528 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -78.7 | -40.3 | 174.6 | -170.6 | 164.4 | -141.4 | 0 | 0 | 111.1 | R227 H228 A233 R234 S235 | R227-E231 WeakPolarHBondContact O-CB 3.37Å; R227-E231 PolarHBondContact O-N 2.88Å; H228-E231 IonicContact ND1-OE2 2.72Å; H228-E231 PolarHBondContact O-N 2.8Å; E231-A233 VanDerWaalsContact C-N 3.29Å; E231-A233 PolarHBondContact O-N 2.98Å; E231-R234 WeakPolarHBondContact O-CB 3.43Å; E231-R234 PolarHBondContact O-N 3.15Å; E231-S235 PolarHBondContact O-N 3.06Å; E231-S235 PolarHBondContact O-OG 2.93Å |
| 232 | L | 62.1 | Low | 59.2 | Low | 118 Ų | 118 | 110 Ų | 110 | 62% | 0.618 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -62.1 | -37.7 | 169.7 | -158.7 | 75.2 | 0 | 0 | 0 | 111.5 | H228 R234 S235 V236 | H228-L232 VanDerWaalsContact O-CB 3.29Å; H228-L232 WeakPolarHBondContact O-CB 3.03Å; H228-L232 PolarHBondContact O-N 3.03Å; L232-R234 PolarHBondContact O-N 2.83Å; L232-S235 WeakPolarHBondContact CA-OG 3.37Å; L232-S235 PolarHBondContact O-N 3.09Å; L232-S235 PolarHBondContact O-OG 2.83Å; L232-V236 WeakPolarHBondContact O-CG2 3.33Å; L232-V236 PolarHBondContact O-N 2.93Å; L232-V236 VanDerWaalsContact O-N 3.13Å |
| 233 | A | 53.9 | Low | 58.3 | Low | 67 Ų | 67 | 112.1 Ų | 112.1 | 55% | 0.554 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -68 | -18.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | M229 E231 | M229-A233 VanDerWaalsContact O-CB 3.28Å; M229-A233 WeakPolarHBondContact O-CB 3.35Å; M229-A233 PolarHBondContact O-N 3.16Å; E231-A233 VanDerWaalsContact C-N 3.29Å; E231-A233 PolarHBondContact O-N 2.98Å |
| 234 | R | 58.3 | Low | 57.6 | Low | 175 Ų | 175 | 111 Ų | 111 | 66% | 0.66 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -88 | -28 | 170.5 | -75.1 | -177.9 | -177.1 | 83.3 | -4.4 | 113.3 | E230 E231 L232 | E230-R234 PolarHBondContact O-N 2.92Å; E230-R234 PolarHBondContact O-NH1 2.83Å; E230-R234 IonicContact OE1-CZ 3.86Å; E230-R234 IonicContact OE1-NH1 2.8Å; E230-R234 PolarHBondContact OE1-NH1 3.45Å; E230-R234 IonicContact OE1-NH2 2.66Å; E230-R234 PolarHBondContact OE1-NH2 2.85Å; E231-R234 WeakPolarHBondContact O-CB 3.43Å; E231-R234 PolarHBondContact O-N 3.15Å; L232-R234 PolarHBondContact O-N 2.83Å |
| 235 | S | 55.7 | Low | 56.4 | Low | 83 Ų | 83 | 111.4 Ų | 111.4 | 58% | 0.58 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -87.4 | -14.5 | -178.9 | 64.4 | 0 | 0 | 0 | 0 | 114.1 | E231 L232 P237 | E231-S235 PolarHBondContact O-N 3.06Å; E231-S235 PolarHBondContact O-OG 2.93Å; L232-S235 WeakPolarHBondContact CA-OG 3.37Å; L232-S235 PolarHBondContact O-N 3.09Å; L232-S235 PolarHBondContact O-OG 2.83Å; S235-P237 VanDerWaalsContact O-CD 3.3Å; S235-P237 WeakPolarHBondContact O-CD 3.23Å |
| 236 | V | 56.2 | Low | 55.3 | Low | 90 Ų | 90 | 113 Ų | 113 | 55% | 0.545 | 60% | 0.6 | S | S | . | * | S | Bend | trans | -68.7 | 116.1 | 162.1 | 174.2 | 0 | 0 | 0 | 0 | 108.9 | L232 L238 | L232-V236 WeakPolarHBondContact O-CG2 3.33Å; L232-V236 PolarHBondContact O-N 2.93Å; L232-V236 VanDerWaalsContact O-N 3.13Å; V236-L238 PolarHBondContact O-N 2.04Å |
| 237 | P | 46.3 | Very low | 54.5 | Low | 116 Ų | 116 | 114 Ų | 114 | 75% | 0.753 | 61% | 0.608 | S | S | * | * | trans | -70 | 108.8 | 179.1 | 28.3 | -33.5 | 0 | 0 | 0 | 110.2 | S235 | S235-P237 VanDerWaalsContact O-CD 3.3Å; S235-P237 WeakPolarHBondContact O-CD 3.23Å | ||
| 238 | L | 48.2 | Very low | 53.1 | Low | 127 Ų | 127 | 114.7 Ų | 114.7 | 67% | 0.665 | 61% | 0.614 | S | S | * | * | trans | -60.5 | 130.4 | 170 | -74.6 | 167.7 | 0 | 0 | 0 | 109.7 | V236 Q240 | V236-L238 PolarHBondContact O-N 2.04Å; L238-Q240 PolarHBondContact O-N 3.35Å | ||
| 239 | P | 45.3 | Very low | 52.3 | Low | 95 Ų | 95 | 113.3 Ų | 113.3 | 62% | 0.617 | 62% | 0.615 | S | S | * | * | trans | -54.3 | 138.7 | 170.5 | -25.9 | 35.1 | 0 | 0 | 0 | 111 | T241 | P239-T241 PolarHBondContact O-N 3.46Š| ||
| 240 | Q | 42.6 | Very low | 51.9 | Low | 171 Ų | 171 | 113.4 Ų | 113.4 | 80% | 0.799 | 61% | 0.614 | S | S | * | * | G | 310 helix | trans | -70.7 | 10.4 | -167.5 | -68.7 | -161.1 | -24.1 | 0 | 0 | 115.8 | L238 I242 | L238-Q240 PolarHBondContact O-N 3.35Å; Q240-I242 VanDerWaalsContact C-N 3.3Å; Q240-I242 PolarHBondContact O-N 2.91Å |
| 241 | T | 47.3 | Very low | 50.8 | Low | 115 Ų | 115 | 115.1 Ų | 115.1 | 71% | 0.706 | 62% | 0.622 | S | S | * | * | G | 310 helix | trans | -73.1 | -14.4 | 178.9 | 47.4 | 0 | 0 | 0 | 0 | 114.5 | P239 | P239-T241 PolarHBondContact O-N 3.46Š|
| 242 | I | 49 | Very low | 49.9 | Very low | 101 Ų | 101 | 113.9 Ų | 113.9 | 52% | 0.518 | 62% | 0.622 | S | S | . | * | G | 310 helix | trans | -90.2 | -16 | -175.5 | -61.1 | 178.7 | 0 | 0 | 0 | 113.1 | Q240 S244 C245 | Q240-I242 VanDerWaalsContact C-N 3.3Å; Q240-I242 PolarHBondContact O-N 2.91Å; I242-S244 PolarHBondContact O-N 2.89Å; I242-C245 PolarHBondContact O-N 3.15Å |
| 243 | L | 50.2 | Low | 49.2 | Very low | 134 Ų | 134 | 116 Ų | 116 | 70% | 0.702 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -60.6 | -30.4 | 179.8 | -103.8 | 160.3 | 0 | 0 | 0 | 113.2 | C245 | L243-C245 VanDerWaalsContact C-N 3.33Å; L243-C245 PolarHBondContact O-N 2.87Å |
| 244 | S | 51.6 | Low | 48.6 | Very low | 99 Ų | 99 | 121.3 Ų | 121.3 | 69% | 0.692 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -73.6 | -20.2 | 175 | -167.2 | 0 | 0 | 0 | 0 | 114 | I242 | I242-S244 PolarHBondContact O-N 2.89Å |
| 245 | C | 47.8 | Very low | 47.8 | Very low | 68 Ų | 68 | 118.5 Ų | 118.5 | 46% | 0.459 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -83.2 | -21.4 | -177.8 | -66.3 | 0 | 0 | 0 | 0 | 113.1 | I242 L243 V249 | I242-C245 PolarHBondContact O-N 3.15Å; L243-C245 VanDerWaalsContact C-N 3.33Å; L243-C245 PolarHBondContact O-N 2.87Å; C245-V249 WeakPolarHBondContact O-CG2 3.45Å |
| 246 | R | 45.8 | Very low | 47.2 | Very low | 176 Ų | 176 | 119.7 Ų | 119.7 | 66% | 0.664 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -72.2 | -43.5 | -179.6 | -171.2 | 173.5 | 177.9 | 168.8 | 0.9 | 112.2 | F248 V249 E250 | R246-F248 VanDerWaalsContact C-N 3.28Å; R246-F248 PolarHBondContact O-N 3.25Å; R246-V249 PolarHBondContact O-N 2.78Å; R246-E250 IonicContact NE-OE1 2.71Å; R246-E250 PolarHBondContact NE-OE1 2.86Å; R246-E250 IonicContact NH2-OE1 2.67Å; R246-E250 PolarHBondContact O-N 2.98Å |
| 247 | A | 47.5 | Very low | 46.3 | Very low | 66 Ų | 66 | 123.7 Ų | 123.7 | 55% | 0.545 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -56 | -43 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | V249 E250 E251 | A247-V249 PolarHBondContact O-N 2.86Å; A247-E250 PolarHBondContact O-N 2.82Å; A247-E251 PolarHBondContact O-N 3.39Å |
| 248 | F | 42.3 | Very low | 45.6 | Very low | 141 Ų | 141 | 124.9 Ų | 124.9 | 62% | 0.618 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -70.2 | -13.8 | -177.2 | -157.6 | -96.5 | 0 | 0 | 0 | 114.6 | R246 V252 | R246-F248 VanDerWaalsContact C-N 3.28Å; R246-F248 PolarHBondContact O-N 3.25Å; F248-V252 HydrophobicContact CD1-CG2 4.48Å; F248-V252 HydrophobicContact CE1-CG2 4.33Å; F248-V252 VanDerWaalsContact O-CG2 3.23Å; F248-V252 WeakPolarHBondContact O-CG2 3.38Å |
| 249 | V | 50.2 | Low | 45 | Very low | 104 Ų | 104 | 124.8 Ų | 124.8 | 63% | 0.63 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -94.2 | -29 | 178.3 | 174.6 | 0 | 0 | 0 | 0 | 111.9 | C245 R246 A247 | C245-V249 WeakPolarHBondContact O-CG2 3.45Å; R246-V249 PolarHBondContact O-N 2.78Å; A247-V249 PolarHBondContact O-N 2.86Å |
| 250 | E | 50 | Low | 44.3 | Very low | 116 Ų | 116 | 127 Ų | 127 | 54% | 0.542 | 69% | 0.689 | S | S | . | * | H | α-helix | trans | -76 | -41.7 | 176 | -71.6 | 167.3 | -171.6 | 0 | 0 | 110.4 | R246 A247 V252 M253 | R246-E250 IonicContact NE-OE1 2.71Å; R246-E250 PolarHBondContact NE-OE1 2.86Å; R246-E250 IonicContact NH2-OE1 2.67Å; R246-E250 PolarHBondContact O-N 2.98Å; A247-E250 PolarHBondContact O-N 2.82Å; E250-V252 VanDerWaalsContact C-N 3.29Å; E250-V252 PolarHBondContact O-N 2.94Å; E250-M253 PolarHBondContact O-N 3.06Å |
| 251 | E | 46.7 | Very low | 43.6 | Very low | 143 Ų | 143 | 122.2 Ų | 122.2 | 67% | 0.668 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | -27 | 178.2 | -166.1 | 171.6 | -141 | 0 | 0 | 114.1 | A247 | A247-E251 PolarHBondContact O-N 3.39Š|
| 252 | V | 51.8 | Low | 42.7 | Very low | 87 Ų | 87 | 121 Ų | 121 | 53% | 0.527 | 69% | 0.687 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.5 | -13.7 | 179.5 | 172.6 | 0 | 0 | 0 | 0 | 112.8 | F248 E250 | F248-V252 HydrophobicContact CD1-CG2 4.48Å; F248-V252 HydrophobicContact CE1-CG2 4.33Å; F248-V252 VanDerWaalsContact O-CG2 3.23Å; F248-V252 WeakPolarHBondContact O-CG2 3.38Å; E250-V252 VanDerWaalsContact C-N 3.29Å; E250-V252 PolarHBondContact O-N 2.94Å |
| 253 | M | 45.7 | Very low | 41.6 | Very low | 162 Ų | 162 | 122.3 Ų | 122.3 | 80% | 0.798 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -97.5 | -5.3 | -175.7 | -156.3 | 168.9 | 66.1 | 0 | 0 | 114.7 | E250 | E250-M253 PolarHBondContact O-N 3.06Š|
| 254 | E | 42.6 | Very low | 40.5 | Very low | 179 Ų | 179 | 120.8 Ų | 120.8 | 84% | 0.836 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -95.6 | -8.1 | -179.8 | -159 | 159.7 | -139 | 0 | 0 | 114.1 | ||
| 255 | T | 41.2 | Very low | 39.5 | Very low | 116 Ų | 116 | 123.3 Ų | 123.3 | 71% | 0.712 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -99.2 | 1.2 | -173 | 50.8 | 0 | 0 | 0 | 0 | 115.8 | ||
| 256 | V | 42.2 | Very low | 38.7 | Very low | 108 Ų | 108 | 128.1 Ų | 128.1 | 66% | 0.655 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -101.1 | -10.3 | -172.2 | 179.5 | 0 | 0 | 0 | 0 | 113.9 | ||
| 257 | H | 37.4 | Very low | 37.9 | Very low | 173 Ų | 173 | 128.2 Ų | 128.2 | 80% | 0.801 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -128.7 | 70.5 | -176.3 | -78.1 | -56.2 | 0 | 0 | 0 | 115.3 | ||
| 258 | T | 32.9 | Very low | 36.9 | Very low | 142 Ų | 142 | 129 Ų | 129 | 87% | 0.871 | 73% | 0.733 | S | S | * | * | trans | -167.3 | 106.7 | 132.6 | 11.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 259 | S | 35.4 | Very low | 36.2 | Very low | 125 Ų | 125 | 130 Ų | 130 | 87% | 0.874 | 74% | 0.742 | S | S | * | * | trans | -102.6 | 81.5 | 177.3 | 61.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 260 | V | 30.3 | Very low | 35 | Very low | 141 Ų | 141 | 133.7 Ų | 133.7 | 86% | 0.855 | 75% | 0.753 | S | S | * | * | trans | -145.2 | 129.8 | 170.9 | -171.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 261 | G | 27.2 | Very low | 34.5 | Very low | 70 Ų | 70 | 134.1 Ų | 134.1 | 72% | 0.722 | 77% | 0.766 | S | S | * | * | trans | 117.2 | 95 | 156.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 262 | A | 28.9 | Very low | 33.5 | Very low | 90 Ų | 90 | 132.1 Ų | 132.1 | 74% | 0.744 | 77% | 0.774 | S | S | * | * | trans | 45.9 | 96.3 | 130.8 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 263 | T | 26 | Very low | 32.4 | Very low | 128 Ų | 128 | 135.2 Ų | 135.2 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | 48.9 | 129.9 | 119.9 | 55.4 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 264 | S | 28 | Very low | 32.1 | Very low | 103 Ų | 103 | 131.9 Ų | 131.9 | 72% | 0.72 | 78% | 0.778 | S | S | * | * | 104.9 | 126.1 | 126.7 | -76.9 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 265 | I | 30.6 | Very low | 31.4 | Very low | 151 Ų | 151 | 132.3 Ų | 132.3 | 77% | 0.774 | 78% | 0.78 | S | S | * | * | trans | 84 | 113.5 | 139.7 | -66.9 | 166.9 | 0 | 0 | 0 | 119.4 | ||||
| 266 | Q | 29.8 | Very low | 30.6 | Very low | 170 Ų | 170 | 130.4 Ų | 130.4 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | 35.3 | 134.5 | 124.4 | -133 | 67.3 | 8.9 | 0 | 0 | 118.1 | |||||
| 267 | K | 28.3 | Very low | 29.9 | Very low | 177 Ų | 177 | 137.2 Ų | 137.2 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | -178.4 | 160.7 | 54 | -166.1 | 173.7 | 178.1 | -177.6 | 0 | 110.9 | |||||
| 268 | A | 27.7 | Very low | 29.2 | Very low | 83 Ų | 83 | 132.6 Ų | 132.6 | 69% | 0.686 | 80% | 0.796 | S | S | * | * | trans | -88.5 | 162.4 | 168.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 269 | I | 27 | Very low | 28.9 | Very low | 161 Ų | 161 | 135.8 Ų | 135.8 | 83% | 0.826 | 80% | 0.798 | S | S | * | * | trans | -177.7 | 158.1 | 134.4 | -94.8 | 154.5 | 0 | 0 | 0 | 111.8 | ||||
| 270 | E | 24.9 | Very low | 28.4 | Very low | 183 Ų | 183 | 136.4 Ų | 136.4 | 86% | 0.855 | 80% | 0.797 | S | S | * | * | trans | -67.1 | 177.5 | -172.7 | -91.4 | -178.3 | 121.4 | 0 | 0 | 117.7 | ||||
| 271 | P | 40.5 | Very low | 28.1 | Very low | 124 Ų | 124 | 135.8 Ų | 135.8 | 81% | 0.805 | 80% | 0.797 | S | S | * | * | trans | -99.1 | 168.6 | -150.7 | 39.3 | -37.9 | 0 | 0 | 0 | 116.4 | ||||
| 272 | A | 25.6 | Very low | 27.9 | Very low | 102 Ų | 102 | 141.3 Ų | 141.3 | 84% | 0.843 | 80% | 0.804 | S | S | * | * | trans | -148.1 | 137.5 | 163.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 273 | N | 27.9 | Very low | 27.8 | Very low | 151 Ų | 151 | 143.5 Ų | 143.5 | 81% | 0.807 | 81% | 0.808 | S | S | * | * | trans | -97.6 | 160.1 | 155 | -155.2 | 41.2 | 0 | 0 | 0 | 105.7 | ||||
| 274 | P | 40 | Very low | 27.8 | Very low | 93 Ų | 93 | 146 Ų | 146 | 60% | 0.604 | 81% | 0.811 | S | S | * | * | cis | -146 | 175.3 | 33.4 | 42.6 | -21.4 | 0 | 0 | 0 | 119.1 | ||||
| 275 | E | 27.2 | Very low | 27.6 | Very low | 187 Ų | 187 | 149.1 Ų | 149.1 | 87% | 0.874 | 82% | 0.816 | S | S | * | * | trans | 49.3 | 124.6 | 146.8 | -72 | 175.4 | 116 | 0 | 0 | 121.9 | ||||
| 276 | G | 25.8 | Very low | 27.2 | Very low | 76 Ų | 76 | 147.2 Ų | 147.2 | 78% | 0.784 | 82% | 0.816 | S | S | * | * | trans | 158 | 95.8 | 148.7 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 277 | R | 25.5 | Very low | 27.2 | Very low | 252 Ų | 252 | 144.2 Ų | 144.2 | 95% | 0.951 | 82% | 0.82 | S | S | * | * | trans | 57.7 | 87.4 | 151.1 | -169.7 | 178.9 | -101.9 | -166.2 | -5.6 | 118.2 | ||||
| 278 | G | 23.9 | Very low | 27 | Very low | 75 Ų | 75 | 145 Ų | 145 | 77% | 0.773 | 83% | 0.827 | S | S | * | * | trans | -82.4 | -158.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 279 | K | 26.3 | Very low | 27 | Very low | 209 Ų | 209 | 149.3 Ų | 149.3 | 91% | 0.909 | 83% | 0.832 | S | S | * | * | trans | -167.1 | 118.9 | 157.6 | -107.2 | 177.2 | -178.1 | -177.3 | 0 | 108.9 | ||||
| 280 | T | 25.2 | Very low | 27.1 | Very low | 139 Ų | 139 | 149.9 Ų | 149.9 | 85% | 0.853 | 83% | 0.832 | S | S | * | * | trans | -139.4 | 144.1 | 170.2 | -40.2 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 281 | C | 24.8 | Very low | 27.3 | Very low | 127 Ų | 127 | 144.5 Ų | 144.5 | 86% | 0.858 | 83% | 0.826 | S | S | * | * | trans | -121.3 | 113 | -179.2 | -64.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 282 | E | 22.6 | Very low | 27.3 | Very low | 186 Ų | 186 | 145.2 Ų | 145.2 | 87% | 0.869 | 83% | 0.83 | S | S | * | * | trans | -131.1 | 136.1 | 158.9 | -72 | -173.3 | 121.7 | 0 | 0 | 107.8 | ||||
| 283 | V | 25.4 | Very low | 27.4 | Very low | 136 Ų | 136 | 145.2 Ų | 145.2 | 82% | 0.824 | 83% | 0.83 | S | S | * | * | trans | -139.8 | 124.6 | 163.9 | 177.9 | 0 | 0 | 0 | 0 | 107.6 | M285 | V283-M285 HydrophobicContact CG1-CG 4.47Š| ||
| 284 | Q | 25.7 | Very low | 27.5 | Very low | 181 Ų | 181 | 143.1 Ų | 143.1 | 85% | 0.846 | 83% | 0.834 | S | S | * | * | trans | -100.8 | 142.7 | 174 | 176.5 | 178.6 | -29.6 | 0 | 0 | 108.8 | ||||
| 285 | M | 25.4 | Very low | 27 | Very low | 169 Ų | 169 | 148.3 Ų | 148.3 | 83% | 0.833 | 85% | 0.85 | S | S | * | * | trans | -135 | 121.7 | 174.6 | -81.7 | 175.7 | 58.1 | 0 | 0 | 111.6 | V283 | V283-M285 HydrophobicContact CG1-CG 4.47Š| ||
| 286 | S | 22.6 | Very low | 27 | Very low | 110 Ų | 110 | 143.2 Ų | 143.2 | 77% | 0.769 | 85% | 0.848 | S | S | * | * | trans | -81.5 | 165.3 | 152.1 | -57.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 287 | A | 28.6 | Very low | 27.1 | Very low | 107 Ų | 107 | 149.6 Ų | 149.6 | 88% | 0.884 | 85% | 0.848 | S | S | * | * | trans | -130.5 | 143.6 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 288 | E | 25.5 | Very low | 27.3 | Very low | 195 Ų | 195 | 144 Ų | 144 | 91% | 0.911 | 83% | 0.833 | S | S | * | * | trans | -124.4 | 175.4 | -173.8 | -155.5 | 164.2 | 100.7 | 0 | 0 | 110.6 | ||||
| 289 | Q | 27.1 | Very low | 27.5 | Very low | 172 Ų | 172 | 147.2 Ų | 147.2 | 80% | 0.804 | 83% | 0.832 | S | S | * | * | trans | -89 | 153.8 | -167.9 | -59.9 | 164.5 | -30.2 | 0 | 0 | 112.5 | ||||
| 290 | Q | 29 | Very low | 27.7 | Very low | 173 Ų | 173 | 144.4 Ų | 144.4 | 81% | 0.808 | 83% | 0.827 | S | S | * | * | 168.3 | 122.4 | 115.6 | -138.1 | 72 | -19.3 | 0 | 0 | 114.6 | |||||
| 291 | G | 28.7 | Very low | 28 | Very low | 71 Ų | 71 | 143.9 Ų | 143.9 | 73% | 0.732 | 82% | 0.823 | S | S | * | * | trans | 64.4 | -179.7 | 153.4 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 292 | P | 41.2 | Very low | 28.2 | Very low | 138 Ų | 138 | 145.4 Ų | 145.4 | 90% | 0.896 | 82% | 0.823 | S | S | * | * | cis | -108.1 | -165.7 | -3.4 | 41.6 | -31.6 | 0 | 0 | 0 | 113.1 | ||||
| 293 | A | 27.3 | Very low | 28.5 | Very low | 102 Ų | 102 | 139 Ų | 139 | 84% | 0.843 | 81% | 0.807 | S | S | * | * | trans | -135.8 | 150.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 294 | A | 30.5 | Very low | 28.8 | Very low | 108 Ų | 108 | 139.6 Ų | 139.6 | 89% | 0.893 | 81% | 0.811 | S | S | * | * | trans | -159.5 | 158.9 | 163.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 295 | H | 27.8 | Very low | 29.1 | Very low | 202 Ų | 202 | 138.2 Ų | 138.2 | 94% | 0.935 | 81% | 0.808 | S | S | * | * | trans | -52.9 | 153.2 | -171 | -75.1 | -31.6 | 0 | 0 | 0 | 119.9 | ||||
| 296 | G | 27.6 | Very low | 29.5 | Very low | 80 Ų | 80 | 139.6 Ų | 139.6 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | trans | -165.8 | 149.5 | 152.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 297 | R | 28.2 | Very low | 29.9 | Very low | 210 Ų | 210 | 141.3 Ų | 141.3 | 79% | 0.792 | 81% | 0.813 | S | S | * | * | trans | -152.1 | 166 | 177.9 | -150.6 | -158.4 | -66.1 | 125.2 | -9 | 109.7 | ||||
| 298 | E | 29.9 | Very low | 30 | Very low | 134 Ų | 134 | 141.2 Ų | 141.2 | 63% | 0.626 | 81% | 0.806 | S | S | * | * | trans | 68.1 | 160.9 | 169.8 | -61 | 138.4 | -140.2 | 0 | 0 | 114.7 | ||||
| 299 | D | 29.3 | Very low | 30.3 | Very low | 142 Ų | 142 | 138.6 Ų | 138.6 | 76% | 0.759 | 80% | 0.797 | S | S | * | * | cis | -161.1 | 163.5 | -48.7 | -95.7 | -29.6 | 0 | 0 | 0 | 107.9 | ||||
| 300 | D | 29.1 | Very low | 30.4 | Very low | 151 Ų | 151 | 137.8 Ų | 137.8 | 81% | 0.807 | 80% | 0.799 | S | S | * | * | trans | 53.9 | 133.8 | 152.3 | -88.4 | -30.9 | 0 | 0 | 0 | 124.8 | ||||
| 301 | V | 32.5 | Very low | 30.3 | Very low | 128 Ų | 128 | 136.6 Ų | 136.6 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | trans | 89.7 | 132.6 | 130.5 | 167.9 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 302 | D | 29.2 | Very low | 30.2 | Very low | 159 Ų | 159 | 142 Ų | 142 | 85% | 0.85 | 80% | 0.802 | S | S | * | * | trans | 73.2 | 124.8 | 156.3 | -148.5 | 28.6 | 0 | 0 | 0 | 124.2 | ||||
| 303 | G | 28 | Very low | 29.6 | Very low | 52 Ų | 52 | 141 Ų | 141 | 54% | 0.536 | 79% | 0.793 | S | S | . | * | 76 | 100.8 | 117.2 | 0 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 304 | T | 31.5 | Very low | 29.5 | Very low | 147 Ų | 147 | 140.6 Ų | 140.6 | 90% | 0.902 | 78% | 0.784 | S | S | * | * | -179.2 | 151.6 | 102.2 | -72.1 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 305 | I | 31.9 | Very low | 29.6 | Very low | 152 Ų | 152 | 141.5 Ų | 141.5 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | trans | -90.5 | 133.6 | -177.5 | -59.6 | 162.4 | 0 | 0 | 0 | 110.8 | ||||
| 306 | E | 34.1 | Very low | 29.5 | Very low | 199 Ų | 199 | 139.7 Ų | 139.7 | 93% | 0.93 | 77% | 0.77 | S | S | * | * | trans | -148.4 | 157 | 141.8 | -135 | 170.2 | -150.8 | 0 | 0 | 111.3 | ||||
| 307 | N | 31.6 | Very low | 29.8 | Very low | 145 Ų | 145 | 141.7 Ų | 141.7 | 78% | 0.775 | 77% | 0.769 | S | S | * | * | trans | -115.5 | 122.5 | -151.2 | -153.2 | 63 | 0 | 0 | 0 | 112.8 | ||||
| 308 | S | 31 | Very low | 29.6 | Very low | 106 Ų | 106 | 140.5 Ų | 140.5 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | trans | -143.2 | 148.5 | 165.5 | -171.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 309 | L | 31.8 | Very low | 29.5 | Very low | 139 Ų | 139 | 138.9 Ų | 138.9 | 73% | 0.728 | 78% | 0.778 | S | S | * | * | trans | -97.8 | 125 | -178.7 | -69 | 86.3 | 0 | 0 | 0 | 110.9 | ||||
| 310 | D | 27.5 | Very low | 29.3 | Very low | 156 Ų | 156 | 139.3 Ų | 139.3 | 83% | 0.834 | 77% | 0.773 | S | S | * | * | trans | -123.4 | 135.5 | 159.3 | -80 | -61.6 | 0 | 0 | 0 | 109.2 | ||||
| 311 | I | 28.2 | Very low | 29 | Very low | 148 Ų | 148 | 137.9 Ų | 137.9 | 76% | 0.759 | 77% | 0.773 | S | S | * | * | trans | -122.1 | 90.4 | 175.1 | -59.7 | -179.7 | 0 | 0 | 0 | 107.7 | V313 | I311-V313 HydrophobicContact CG2-CG2 4.13Š| ||
| 312 | E | 26.9 | Very low | 28.7 | Very low | 184 Ų | 184 | 138.8 Ų | 138.8 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | trans | -87.6 | 126.8 | 170.4 | -168.9 | 179.2 | 162.1 | 0 | 0 | 109.8 | ||||
| 313 | V | 27.7 | Very low | 28.7 | Very low | 117 Ų | 117 | 139.3 Ų | 139.3 | 71% | 0.709 | 77% | 0.772 | S | S | * | * | trans | -111.1 | 95.9 | 179.3 | -178 | 0 | 0 | 0 | 0 | 109.5 | I311 | I311-V313 HydrophobicContact CG2-CG2 4.13Š| ||
| 314 | S | 26.2 | Very low | 28.5 | Very low | 93 Ų | 93 | 144.7 Ų | 144.7 | 65% | 0.65 | 78% | 0.783 | S | S | * | * | trans | -79.2 | 142.9 | 170 | -174.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 315 | V | 31 | Very low | 28.1 | Very low | 127 Ų | 127 | 144.3 Ų | 144.3 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | trans | -117.4 | 108.9 | -175.8 | -179.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 316 | H | 26.6 | Very low | 27.7 | Very low | 165 Ų | 165 | 147 Ų | 147 | 76% | 0.764 | 77% | 0.769 | S | S | * | * | trans | -97.1 | 140.3 | 165.9 | -83.8 | -86.8 | 0 | 0 | 0 | 110.9 | ||||
| 317 | P | 32.9 | Very low | 27.4 | Very low | 122 Ų | 122 | 141.7 Ų | 141.7 | 79% | 0.792 | 76% | 0.759 | S | S | * | * | trans | -76 | 146.6 | 173.5 | 32.4 | -34.3 | 0 | 0 | 0 | 111.1 | ||||
| 318 | M | 24.8 | Very low | 27.3 | Very low | 185 Ų | 185 | 143.5 Ų | 143.5 | 91% | 0.911 | 76% | 0.763 | S | S | * | * | trans | -122.9 | 148 | 176.7 | -109.6 | -64.8 | -171.3 | 0 | 0 | 111.9 | ||||
| 319 | S | 26.9 | Very low | 27.1 | Very low | 100 Ų | 100 | 141.7 Ų | 141.7 | 70% | 0.699 | 76% | 0.761 | S | S | * | * | trans | -103 | 161.8 | -173.5 | 52.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 320 | K | 25.6 | Very low | 26.9 | Very low | 151 Ų | 151 | 143.3 Ų | 143.3 | 66% | 0.657 | 77% | 0.77 | S | S | * | * | trans | -37.8 | 138 | 168.8 | -176.3 | -158.6 | -178.3 | -143.3 | 0 | 114.4 | E322 | K320-E322 WeakPolarHBondContact CE-OE1 3.38Å; K320-E322 IonicContact NZ-OE1 2.68Å; K320-E322 PolarHBondContact NZ-OE1 2.86Å; K320-E322 IonicContact NZ-OE2 3.73Å; K320-E322 PolarHBondContact NZ-OE2 2.65Å | ||
| 321 | C | 23.8 | Very low | 27.1 | Very low | 120 Ų | 120 | 144.4 Ų | 144.4 | 81% | 0.811 | 77% | 0.771 | S | S | * | * | trans | -129.4 | 161.2 | 153.8 | -75.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 322 | E | 26.6 | Very low | 27.2 | Very low | 147 Ų | 147 | 142.8 Ų | 142.8 | 69% | 0.687 | 77% | 0.768 | S | S | * | * | trans | -121.8 | 164.5 | 170.1 | -71.8 | 153.1 | 148.1 | 0 | 0 | 107.3 | K320 | K320-E322 WeakPolarHBondContact CE-OE1 3.38Å; K320-E322 IonicContact NZ-OE1 2.68Å; K320-E322 PolarHBondContact NZ-OE1 2.86Å; K320-E322 IonicContact NZ-OE2 3.73Å; K320-E322 PolarHBondContact NZ-OE2 2.65Å | ||
| 323 | D | 27.5 | Very low | 27.2 | Very low | 171 Ų | 171 | 139.8 Ų | 139.8 | 91% | 0.914 | 77% | 0.767 | S | S | * | * | trans | -165.6 | 163.5 | 164.8 | -102.2 | -36.5 | 0 | 0 | 0 | 113.9 | ||||
| 324 | E | 25.5 | Very low | 27.3 | Very low | 165 Ų | 165 | 140.1 Ų | 140.1 | 77% | 0.771 | 77% | 0.769 | S | S | * | * | trans | -109.7 | 136.4 | -174.4 | -65.1 | -168.7 | 92.8 | 0 | 0 | 111.9 | ||||
| 325 | K | 22.7 | Very low | 27.9 | Very low | 138 Ų | 138 | 140.2 Ų | 140.2 | 60% | 0.6 | 77% | 0.767 | S | S | * | * | 77.4 | 143.6 | 82.2 | -144 | -174.9 | 177.4 | -164.6 | 0 | 113.7 | |||||
| 326 | W | 23.6 | Very low | 27.8 | Very low | 210 Ų | 210 | 142.1 Ų | 142.1 | 80% | 0.795 | 77% | 0.77 | S | S | * | * | cis | -118.7 | -115.7 | 17.6 | -57 | 64.5 | 0 | 0 | 0 | 113 | ||||
| 327 | A | 27.4 | Very low | 27.9 | Very low | 87 Ų | 87 | 142.2 Ų | 142.2 | 72% | 0.719 | 78% | 0.775 | S | S | * | * | cis | -160.3 | 176.9 | 0.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 328 | E | 28.4 | Very low | 27.8 | Very low | 183 Ų | 183 | 139.6 Ų | 139.6 | 86% | 0.855 | 77% | 0.771 | S | S | * | * | trans | -82.6 | 168.7 | -178.9 | -59.6 | 96.9 | 130 | 0 | 0 | 115.6 | ||||
| 329 | G | 27.6 | Very low | 28.4 | Very low | 68 Ų | 68 | 137 Ų | 137 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | cis | -150.4 | -173.4 | 1.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 330 | D | 27.3 | Very low | 28.4 | Very low | 172 Ų | 172 | 138.9 Ų | 138.9 | 92% | 0.92 | 78% | 0.779 | S | S | * | * | cis | -141.7 | -179.2 | 22.9 | -83.5 | -30.3 | 0 | 0 | 0 | 113.4 | ||||
| 331 | E | 31.2 | Very low | 28.6 | Very low | 180 Ų | 180 | 136.9 Ų | 136.9 | 84% | 0.841 | 78% | 0.784 | S | S | * | * | trans | -71.8 | 171.2 | -176.4 | -40.7 | 179.8 | 60.2 | 0 | 0 | 115.4 | ||||
| 332 | V | 30.8 | Very low | 29 | Very low | 114 Ų | 114 | 137.1 Ų | 137.1 | 69% | 0.691 | 79% | 0.787 | S | S | * | * | cis | -149.7 | 150.1 | 6.4 | 76.7 | 0 | 0 | 0 | 0 | 111.4 | V334 | V332-V334 HydrophobicContact CG2-CG2 4.37Š| ||
| 333 | S | 27.1 | Very low | 29.1 | Very low | 121 Ų | 121 | 133.9 Ų | 133.9 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | trans | -165.3 | 160.7 | 153.6 | 42.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 334 | V | 30.1 | Very low | 29.3 | Very low | 123 Ų | 123 | 131.6 Ų | 131.6 | 75% | 0.745 | 79% | 0.79 | S | S | * | * | trans | -165.8 | 142.9 | -140.7 | 147.5 | 0 | 0 | 0 | 0 | 109.2 | V332 | V332-V334 HydrophobicContact CG2-CG2 4.37Š| ||
| 335 | P | 38.4 | Very low | 29.5 | Very low | 96 Ų | 96 | 130.6 Ų | 130.6 | 62% | 0.623 | 80% | 0.795 | S | S | * | * | cis | -139 | 174.7 | -29.1 | 41.3 | -24.6 | 0 | 0 | 0 | 113.4 | ||||
| 336 | M | 28.1 | Very low | 29.8 | Very low | 167 Ų | 167 | 128.2 Ų | 128.2 | 82% | 0.823 | 80% | 0.801 | S | S | * | * | 179.8 | 159.4 | 118.5 | -96.7 | -58.6 | 168.5 | 0 | 0 | 112 | |||||
| 337 | L | 29.7 | Very low | 30.1 | Very low | 166 Ų | 166 | 128.9 Ų | 128.9 | 87% | 0.869 | 81% | 0.805 | S | S | * | * | trans | -85.9 | 158.7 | -164.2 | -69.2 | 100.3 | 0 | 0 | 0 | 115.4 | ||||
| 338 | G | 30.7 | Very low | 30.2 | Very low | 68 Ų | 68 | 133.7 Ų | 133.7 | 70% | 0.701 | 81% | 0.813 | S | S | * | * | trans | -88.7 | -160.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 339 | P | 37.4 | Very low | 30.2 | Very low | 130 Ų | 130 | 130.6 Ų | 130.6 | 84% | 0.844 | 81% | 0.811 | S | S | * | * | trans | -84.4 | 158.6 | -162.9 | 33.6 | -37 | 0 | 0 | 0 | 115.1 | ||||
| 340 | C | 27.1 | Very low | 30.3 | Very low | 139 Ų | 139 | 132.9 Ų | 132.9 | 94% | 0.939 | 82% | 0.815 | S | S | * | * | trans | -127.3 | 167.2 | 162.6 | -87.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 341 | S | 30.1 | Very low | 30.7 | Very low | 109 Ų | 109 | 136.2 Ų | 136.2 | 76% | 0.762 | 83% | 0.831 | S | S | * | * | trans | -112.7 | 167 | -152.6 | 51.1 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 342 | S | 32 | Very low | 30.7 | Very low | 125 Ų | 125 | 134 Ų | 134 | 87% | 0.874 | 83% | 0.83 | S | S | * | * | trans | 68.3 | 121.8 | 157 | -60.2 | 0 | 0 | 0 | 0 | 119 | ||||
| 343 | G | 29 | Very low | 30.7 | Very low | 79 Ų | 79 | 135.1 Ų | 135.1 | 81% | 0.814 | 84% | 0.837 | S | S | * | * | trans | -167.7 | 94.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 344 | S | 31.2 | Very low | 30.9 | Very low | 123 Ų | 123 | 135.8 Ų | 135.8 | 86% | 0.86 | 84% | 0.837 | S | S | * | * | trans | -85.4 | 134.3 | 175.7 | 52.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 345 | V | 30.1 | Very low | 30.9 | Very low | 145 Ų | 145 | 136.6 Ų | 136.6 | 88% | 0.879 | 84% | 0.842 | S | S | * | * | trans | -130.9 | 145.8 | 172.6 | -176.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 346 | A | 28.8 | Very low | 30.4 | Very low | 88 Ų | 88 | 139.1 Ų | 139.1 | 73% | 0.727 | 86% | 0.856 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 167.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 347 | Y | 29.6 | Very low | 30.6 | Very low | 223 Ų | 223 | 137.3 Ų | 137.3 | 88% | 0.875 | 86% | 0.858 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 128.3 | 164.4 | 54.2 | -87.8 | 0 | 0 | 0 | 109.5 | ||
| 348 | E | 28.6 | Very low | 30.7 | Very low | 188 Ų | 188 | 135.2 Ų | 135.2 | 88% | 0.879 | 86% | 0.857 | S | S | * | * | P | Polyproline II helix | trans | -103.3 | 137.1 | 172.6 | -160.3 | 167.9 | 176 | 0 | 0 | 108.8 | ||
| 349 | S | 30.4 | Very low | 30.6 | Very low | 118 Ų | 118 | 140.4 Ų | 140.4 | 83% | 0.825 | 87% | 0.869 | S | S | * | * | P | Polyproline II helix | trans | -99.7 | 124.1 | -172.9 | -166.7 | 0 | 0 | 0 | 0 | 110.5 | ||
| 350 | C | 28.1 | Very low | 30.1 | Very low | 116 Ų | 116 | 141.3 Ų | 141.3 | 78% | 0.784 | 87% | 0.872 | S | S | * | * | trans | -108.5 | 108.1 | -178.2 | -80.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 351 | I | 36 | Very low | 30.4 | Very low | 242 Ų | 242 | 141.5 Ų | 141.5 | 100% | 1.241 | 87% | 0.865 | S | S | * | * | trans | 70.4 | 0 | 160.2 | -45 | -179.6 | 0 | 0 | 0 | 115.5 |
Retrieved 351 of 351 residues in 795 ms
(Link to these results)