| 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 | 50.8 | Low | 54 | Low | 191 Ų | 191 | 111.5 Ų | 111.5 | 94% | 0.941 | 61% | 0.608 | S | S | * | * | 0 | -47.7 | 0 | -70 | -165.9 | 75.6 | 0 | 0 | 114.1 | L3 S4 I5 | M1-L3 VanDerWaalsContact C-N 3.33Å; M1-L3 PolarHBondContact O-N 3.38Å; M1-S4 PolarHBondContact O-N 2.94Å; M1-S4 VanDerWaalsContact O-N 3.13Å; M1-S4 PolarHBondContact O-OG 2.86Å; M1-I5 PolarHBondContact O-N 3.35Å | |||
| 2 | L | 42.3 | Very low | 55.7 | Low | 148 Ų | 148 | 106.9 Ų | 106.9 | 78% | 0.775 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -54.7 | -42.5 | -176.2 | -74.3 | 165.5 | 0 | 0 | 0 | 114 | S4 I5 G6 | L2-S4 PolarHBondContact O-N 3.31Å; L2-I5 PolarHBondContact O-N 2.9Å; L2-G6 PolarHBondContact O-N 2.86Å |
| 3 | L | 44.7 | Very low | 57.2 | Low | 152 Ų | 152 | 104.9 Ų | 104.9 | 80% | 0.796 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -59.2 | -39.9 | 177.4 | -80.4 | 84.4 | 0 | 0 | 0 | 113.6 | M1 I5 G6 M7 | M1-L3 VanDerWaalsContact C-N 3.33Å; M1-L3 PolarHBondContact O-N 3.38Å; L3-I5 VanDerWaalsContact C-N 3.31Å; L3-I5 PolarHBondContact O-N 3.37Å; L3-G6 PolarHBondContact O-N 3.29Å; L3-M7 VanDerWaalsContact O-CG 3.3Å; L3-M7 WeakPolarHBondContact O-CG 3.14Å; L3-M7 PolarHBondContact O-N 3.45Å |
| 4 | S | 53.4 | Low | 58.5 | Low | 68 Ų | 68 | 105.6 Ų | 105.6 | 48% | 0.476 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -71.1 | -28.6 | -179.2 | 59.2 | 0 | 0 | 0 | 0 | 112.5 | M1 L2 L8 | M1-S4 PolarHBondContact O-N 2.94Å; M1-S4 VanDerWaalsContact O-N 3.13Å; M1-S4 PolarHBondContact O-OG 2.86Å; L2-S4 PolarHBondContact O-N 3.31Å; S4-L8 WeakPolarHBondContact O-CG 3.34Å; S4-L8 PolarHBondContact O-N 3.22Å |
| 5 | I | 54 | Low | 59.8 | Low | 86 Ų | 86 | 104.5 Ų | 104.5 | 44% | 0.441 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -72.9 | -40.5 | 172.5 | -63.2 | 161.5 | 0 | 0 | 0 | 110 | M1 L2 L3 L8 M9 | M1-I5 PolarHBondContact O-N 3.35Å; L2-I5 PolarHBondContact O-N 2.9Å; L3-I5 VanDerWaalsContact C-N 3.31Å; L3-I5 PolarHBondContact O-N 3.37Å; I5-L8 PolarHBondContact O-N 2.81Å; I5-M9 WeakPolarHBondContact O-CG 3.5Å; I5-M9 PolarHBondContact O-N 3.47Å |
| 6 | G | 54.3 | Low | 60.9 | Low | 41 Ų | 41 | 108.4 Ų | 108.4 | 42% | 0.423 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -59 | -48.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L2 L3 L8 M9 L10 | L2-G6 PolarHBondContact O-N 2.86Å; L3-G6 PolarHBondContact O-N 3.29Å; G6-L8 VanDerWaalsContact C-N 3.34Å; G6-L8 PolarHBondContact O-N 3.4Å; G6-M9 PolarHBondContact O-N 3.07Å; G6-L10 WeakPolarHBondContact O-CB 3.37Å; G6-L10 PolarHBondContact O-N 3.1Å |
| 7 | M | 54.8 | Low | 61.9 | Low | 139 Ų | 139 | 106.4 Ų | 106.4 | 69% | 0.685 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -58.7 | -42.5 | 175.6 | -69.2 | -73.2 | -75.6 | 0 | 0 | 112.4 | L3 L10 S11 | L3-M7 VanDerWaalsContact O-CG 3.3Å; L3-M7 WeakPolarHBondContact O-CG 3.14Å; L3-M7 PolarHBondContact O-N 3.45Å; M7-L10 PolarHBondContact O-N 3.35Å; M7-S11 PolarHBondContact O-N 3.05Å |
| 8 | L | 55.8 | Low | 62.8 | Low | 117 Ų | 117 | 105.7 Ų | 105.7 | 61% | 0.613 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -63.1 | -46.2 | 176.1 | -82.5 | 165.3 | 0 | 0 | 0 | 112.1 | S4 I5 G6 L10 S11 A12 | S4-L8 WeakPolarHBondContact O-CG 3.34Å; S4-L8 PolarHBondContact O-N 3.22Å; I5-L8 PolarHBondContact O-N 2.81Å; G6-L8 VanDerWaalsContact C-N 3.34Å; G6-L8 PolarHBondContact O-N 3.4Å; L8-L10 VanDerWaalsContact C-N 3.35Å; L8-L10 PolarHBondContact O-N 2.71Å; L8-S11 PolarHBondContact O-N 2.95Å; L8-S11 PolarHBondContact O-OG 3.23Å; L8-A12 PolarHBondContact O-N 3.3Å |
| 9 | M | 58.1 | Low | 63.5 | Low | 126 Ų | 126 | 105.8 Ų | 105.8 | 62% | 0.621 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -63.9 | -39.8 | 177.8 | -70.2 | -63.6 | 173.8 | 0 | 0 | 112 | I5 G6 S11 A12 T13 | I5-M9 WeakPolarHBondContact O-CG 3.5Å; I5-M9 PolarHBondContact O-N 3.47Å; G6-M9 PolarHBondContact O-N 3.07Å; M9-S11 VanDerWaalsContact C-N 3.34Å; M9-S11 PolarHBondContact O-N 2.93Å; M9-A12 PolarHBondContact O-N 2.93Å; M9-T13 PolarHBondContact O-N 2.98Å; M9-T13 PolarHBondContact O-OG1 2.9Å |
| 10 | L | 56 | Low | 64.1 | Low | 104 Ų | 104 | 103.3 Ų | 103.3 | 55% | 0.545 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -60.4 | -44.5 | 175.2 | -146.8 | 77.1 | 0 | 0 | 0 | 111.1 | G6 M7 L8 A12 T13 Q14 | G6-L10 WeakPolarHBondContact O-CB 3.37Å; G6-L10 PolarHBondContact O-N 3.1Å; M7-L10 PolarHBondContact O-N 3.35Å; L8-L10 VanDerWaalsContact C-N 3.35Å; L8-L10 PolarHBondContact O-N 2.71Å; L10-A12 PolarHBondContact O-N 2.84Å; L10-T13 WeakPolarHBondContact CA-OG1 3.42Å; L10-T13 PolarHBondContact O-N 2.91Å; L10-T13 PolarHBondContact O-OG1 2.85Å; L10-Q14 WeakPolarHBondContact O-CG 3.46Å; L10-Q14 PolarHBondContact O-N 2.95Å |
| 11 | S | 70.3 | Confident | 64.7 | Low | 54 Ų | 54 | 102.9 Ų | 102.9 | 38% | 0.378 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -64.9 | -38.2 | 177.2 | 74.9 | 0 | 0 | 0 | 0 | 112.7 | M7 L8 M9 Q14 V15 | M7-S11 PolarHBondContact O-N 3.05Å; L8-S11 PolarHBondContact O-N 2.95Å; L8-S11 PolarHBondContact O-OG 3.23Å; M9-S11 VanDerWaalsContact C-N 3.34Å; M9-S11 PolarHBondContact O-N 2.93Å; S11-Q14 PolarHBondContact O-N 3.45Å; S11-V15 WeakPolarHBondContact O-CB 3.49Å; S11-V15 VanDerWaalsContact O-CG2 3.31Å; S11-V15 WeakPolarHBondContact O-CG2 3.38Å; S11-V15 PolarHBondContact O-N 2.71Å |
| 12 | A | 73.6 | Confident | 65.7 | Low | 57 Ų | 57 | 96.8 Ų | 96.8 | 47% | 0.471 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.7 | -42.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | L8 M9 L10 Y16 | L8-A12 PolarHBondContact O-N 3.3Å; M9-A12 PolarHBondContact O-N 2.93Å; L10-A12 PolarHBondContact O-N 2.84Å; A12-Y16 WeakPolarHBondContact O-CB 3.24Å; A12-Y16 PolarHBondContact O-N 3.14Å |
| 13 | T | 75.4 | Confident | 67.1 | Low | 81 Ų | 81 | 94.3 Ų | 94.3 | 50% | 0.497 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66 | -40.3 | 174.8 | 48.6 | 0 | 0 | 0 | 0 | 112.3 | M9 L10 Y16 T17 | M9-T13 PolarHBondContact O-N 2.98Å; M9-T13 PolarHBondContact O-OG1 2.9Å; L10-T13 WeakPolarHBondContact CA-OG1 3.42Å; L10-T13 PolarHBondContact O-N 2.91Å; L10-T13 PolarHBondContact O-OG1 2.85Å; T13-Y16 PolarHBondContact O-N 2.87Å; T13-T17 WeakPolarHBondContact O-CG2 3.47Å; T13-T17 PolarHBondContact O-N 2.83Å; T13-T17 PolarHBondContact O-OG1 2.85Å |
| 14 | Q | 75.9 | Confident | 68.2 | Low | 115 Ų | 115 | 93.9 Ų | 93.9 | 54% | 0.537 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.4 | -49.2 | 176.1 | -79 | -174 | -33.4 | 0 | 0 | 111.6 | L10 S11 Y16 T17 I18 | L10-Q14 WeakPolarHBondContact O-CG 3.46Å; L10-Q14 PolarHBondContact O-N 2.95Å; S11-Q14 PolarHBondContact O-N 3.45Å; Q14-Y16 VanDerWaalsContact C-N 3.31Å; Q14-Y16 PolarHBondContact O-N 2.8Å; Q14-T17 WeakPolarHBondContact CA-OG1 3.5Å; Q14-T17 PolarHBondContact O-N 3.03Å; Q14-T17 PolarHBondContact O-OG1 2.85Å; Q14-I18 VanDerWaalsContact O-CG1 3.32Å; Q14-I18 WeakPolarHBondContact O-CG1 3.48Å; Q14-I18 PolarHBondContact O-N 2.81Å |
| 15 | V | 77.8 | Confident | 68.7 | Low | 89 Ų | 89 | 92.9 Ų | 92.9 | 54% | 0.539 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -56.9 | -44.9 | 175.5 | 169.4 | 0 | 0 | 0 | 0 | 110.9 | S11 I18 L19 | S11-V15 WeakPolarHBondContact O-CB 3.49Å; S11-V15 VanDerWaalsContact O-CG2 3.31Å; S11-V15 WeakPolarHBondContact O-CG2 3.38Å; S11-V15 PolarHBondContact O-N 2.71Å; V15-I18 PolarHBondContact O-N 2.86Å; V15-L19 HydrophobicContact CG1-CD1 4.44Å; V15-L19 WeakPolarHBondContact O-CB 3.09Å; V15-L19 PolarHBondContact O-N 2.95Å |
| 16 | Y | 77.7 | Confident | 69 | Low | 167 Ų | 167 | 94.4 Ų | 94.4 | 66% | 0.655 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.6 | -48 | 175.9 | -176.7 | -101.4 | 0 | 0 | 0 | 112.1 | A12 T13 Q14 I18 L19 T20 | A12-Y16 WeakPolarHBondContact O-CB 3.24Å; A12-Y16 PolarHBondContact O-N 3.14Å; T13-Y16 PolarHBondContact O-N 2.87Å; Q14-Y16 VanDerWaalsContact C-N 3.31Å; Q14-Y16 PolarHBondContact O-N 2.8Å; Y16-I18 PolarHBondContact O-N 3.2Å; Y16-L19 PolarHBondContact O-N 3.01Å; Y16-T20 HydrophobicContact CD1-CG2 4.2Å; Y16-T20 HydrophobicContact CD2-CG2 4.5Å; Y16-T20 HydrophobicContact CE1-CG2 3.76Å; Y16-T20 HydrophobicContact CE2-CG2 4.09Å; Y16-T20 PolarHBondContact O-N 2.79Å; Y16-T20 PolarHBondContact O-OG1 3.12Å |
| 17 | T | 76.8 | Confident | 69.2 | Low | 73 Ų | 73 | 97.9 Ų | 97.9 | 45% | 0.448 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.8 | -42.9 | 178.5 | 52.3 | 0 | 0 | 0 | 0 | 112.5 | T13 Q14 T20 V21 | T13-T17 WeakPolarHBondContact O-CG2 3.47Å; T13-T17 PolarHBondContact O-N 2.83Å; T13-T17 PolarHBondContact O-OG1 2.85Å; Q14-T17 WeakPolarHBondContact CA-OG1 3.5Å; Q14-T17 PolarHBondContact O-N 3.03Å; Q14-T17 PolarHBondContact O-OG1 2.85Å; T17-T20 WeakPolarHBondContact CA-OG1 3.31Å; T17-T20 PolarHBondContact O-N 3.22Å; T17-T20 PolarHBondContact O-OG1 2.91Å; T17-V21 WeakPolarHBondContact O-CB 3.46Å; T17-V21 VanDerWaalsContact O-CG2 3.31Å; T17-V21 WeakPolarHBondContact O-CG2 3.42Å; T17-V21 PolarHBondContact O-N 2.79Å |
| 18 | I | 78.8 | Confident | 69.2 | Low | 95 Ų | 95 | 96.2 Ų | 96.2 | 49% | 0.487 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.7 | -46.7 | 176.3 | -67.3 | 163.8 | 0 | 0 | 0 | 109.9 | Q14 V15 Y16 T20 V21 Q22 | Q14-I18 VanDerWaalsContact O-CG1 3.32Å; Q14-I18 WeakPolarHBondContact O-CG1 3.48Å; Q14-I18 PolarHBondContact O-N 2.81Å; V15-I18 PolarHBondContact O-N 2.86Å; Y16-I18 PolarHBondContact O-N 3.2Å; I18-T20 PolarHBondContact O-N 3.26Å; I18-V21 PolarHBondContact O-N 2.99Å; I18-Q22 WeakPolarHBondContact O-CB 3.46Å; I18-Q22 PolarHBondContact O-N 2.82Å |
| 19 | L | 76.8 | Confident | 69.1 | Low | 108 Ų | 108 | 93.4 Ų | 93.4 | 57% | 0.565 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62 | -40.4 | 177.4 | -118 | 155 | 0 | 0 | 0 | 112.4 | V15 Y16 L23 | V15-L19 HydrophobicContact CG1-CD1 4.44Å; V15-L19 WeakPolarHBondContact O-CB 3.09Å; V15-L19 PolarHBondContact O-N 2.95Å; Y16-L19 PolarHBondContact O-N 3.01Å; L19-L23 WeakPolarHBondContact O-CB 3.26Å; L19-L23 PolarHBondContact O-N 3.49Å |
| 20 | T | 74.8 | Confident | 68.8 | Low | 54 Ų | 54 | 94 Ų | 94 | 33% | 0.331 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69.5 | -37.1 | 176 | 53.3 | 0 | 0 | 0 | 0 | 112.9 | Y16 T17 I18 F24 | Y16-T20 HydrophobicContact CD1-CG2 4.2Å; Y16-T20 HydrophobicContact CD2-CG2 4.5Å; Y16-T20 HydrophobicContact CE1-CG2 3.76Å; Y16-T20 HydrophobicContact CE2-CG2 4.09Å; Y16-T20 PolarHBondContact O-N 2.79Å; Y16-T20 PolarHBondContact O-OG1 3.12Å; T17-T20 WeakPolarHBondContact CA-OG1 3.31Å; T17-T20 PolarHBondContact O-N 3.22Å; T17-T20 PolarHBondContact O-OG1 2.91Å; I18-T20 PolarHBondContact O-N 3.26Å; T20-F24 WeakPolarHBondContact O-CB 3.14Å; T20-F24 PolarHBondContact O-N 3.39Å |
| 21 | V | 77.2 | Confident | 68.5 | Low | 96 Ų | 96 | 94.1 Ų | 94.1 | 58% | 0.582 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -69.5 | -42.9 | 176.3 | 168.8 | 0 | 0 | 0 | 0 | 110.5 | T17 I18 F24 A25 | T17-V21 WeakPolarHBondContact O-CB 3.46Å; T17-V21 VanDerWaalsContact O-CG2 3.31Å; T17-V21 WeakPolarHBondContact O-CG2 3.42Å; T17-V21 PolarHBondContact O-N 2.79Å; I18-V21 PolarHBondContact O-N 2.99Å; V21-F24 PolarHBondContact O-N 2.98Å; V21-A25 WeakPolarHBondContact O-CB 3.33Å; V21-A25 PolarHBondContact O-N 2.85Å |
| 22 | Q | 71.3 | Confident | 67.4 | Low | 63 Ų | 63 | 97.5 Ų | 97.5 | 29% | 0.294 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.6 | -42.5 | 177.2 | -153.5 | 82.7 | 21.7 | 0 | 0 | 111.7 | I18 A25 F26 F187 | I18-Q22 WeakPolarHBondContact O-CB 3.46Å; I18-Q22 PolarHBondContact O-N 2.82Å; Q22-A25 PolarHBondContact O-N 3.43Å; Q22-F26 WeakPolarHBondContact O-CB 3.3Å; Q22-F26 PolarHBondContact O-N 3.06Å; Q22-F187 HydrophobicContact CB-CE2 4.32Å; Q22-F187 HydrophobicContact CB-CZ 4.18Å; Q22-F187 VanDerWaalsContact CD-CE2 3.41Å; Q22-F187 HydrophobicContact CG-CD1 4.15Å; Q22-F187 HydrophobicContact CG-CD2 4.06Å; Q22-F187 HydrophobicContact CG-CE1 3.79Å; Q22-F187 HydrophobicContact CG-CE2 3.69Å; Q22-F187 HydrophobicContact CG-CG 4.27Å; Q22-F187 HydrophobicContact CG-CZ 3.55Å |
| 23 | L | 72.1 | Confident | 66.6 | Low | 96 Ų | 96 | 102.3 Ų | 102.3 | 50% | 0.503 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66.9 | -40.2 | 176.1 | 179.2 | 61.4 | 0 | 0 | 0 | 111.4 | L19 F26 L27 | L19-L23 WeakPolarHBondContact O-CB 3.26Å; L19-L23 PolarHBondContact O-N 3.49Å; L23-F26 PolarHBondContact O-N 3.35Å; L23-L27 HydrophobicContact CD1-CD1 3.97Å; L23-L27 HydrophobicContact CD1-CG 4.1Å; L23-L27 HydrophobicContact CG-CD1 3.89Å; L23-L27 HydrophobicContact CG-CG 4.42Å; L23-L27 WeakPolarHBondContact O-CB 3.44Å; L23-L27 VanDerWaalsContact O-CG 3.25Å; L23-L27 WeakPolarHBondContact O-CG 3.47Å; L23-L27 PolarHBondContact O-N 2.94Å |
| 24 | F | 67.5 | Low | 65.7 | Low | 142 Ų | 142 | 99 Ų | 99 | 62% | 0.623 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -66.2 | -42.7 | 175.8 | -170.5 | -102 | 0 | 0 | 0 | 111.3 | T20 V21 F26 L27 N28 | T20-F24 WeakPolarHBondContact O-CB 3.14Å; T20-F24 PolarHBondContact O-N 3.39Å; V21-F24 PolarHBondContact O-N 2.98Å; F24-F26 PolarHBondContact O-N 2.88Å; F24-L27 PolarHBondContact O-N 3.11Å; F24-N28 WeakPolarHBondContact CD1-ND2 3.44Å; F24-N28 VanDerWaalsContact CE1-ND2 3.26Å; F24-N28 WeakPolarHBondContact CE1-ND2 3.35Å; F24-N28 VanDerWaalsContact CZ-ND2 3.34Å; F24-N28 WeakPolarHBondContact CZ-ND2 3.44Å; F24-N28 PolarHBondContact O-N 3.41Å; F24-N28 PolarHBondContact O-ND2 3.41Å |
| 25 | A | 62.8 | Low | 66 | Low | 48 Ų | 48 | 95 Ų | 95 | 40% | 0.397 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -56.9 | -49.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | V21 Q22 L27 N28 L29 | V21-A25 WeakPolarHBondContact O-CB 3.33Å; V21-A25 PolarHBondContact O-N 2.85Å; Q22-A25 PolarHBondContact O-N 3.43Å; A25-L27 VanDerWaalsContact C-N 3.33Å; A25-L27 PolarHBondContact O-N 3.39Å; A25-N28 PolarHBondContact O-N 2.95Å; A25-L29 WeakPolarHBondContact O-CD1 3.41Å; A25-L29 VanDerWaalsContact O-CG 3.28Å; A25-L29 WeakPolarHBondContact O-CG 3.09Å; A25-L29 PolarHBondContact O-N 3.09Å |
| 26 | F | 61.3 | Low | 66.7 | Low | 117 Ų | 117 | 90.8 Ų | 90.8 | 51% | 0.513 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.7 | -34.8 | 178 | -165.4 | -96.1 | 0 | 0 | 0 | 113.7 | Q22 L23 F24 L29 L184 | Q22-F26 WeakPolarHBondContact O-CB 3.3Å; Q22-F26 PolarHBondContact O-N 3.06Å; L23-F26 PolarHBondContact O-N 3.35Å; F24-F26 PolarHBondContact O-N 2.88Å; F26-L29 PolarHBondContact O-N 2.89Å; F26-L184 HydrophobicContact CD2-CD2 4.2Å; F26-L184 HydrophobicContact CE2-CD1 4.22Å; F26-L184 HydrophobicContact CE2-CD2 4.35Å |
| 27 | L | 58 | Low | 67.5 | Low | 115 Ų | 115 | 84.9 Ų | 84.9 | 60% | 0.602 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -79.3 | -17.1 | 177.7 | -71.6 | 171.4 | 0 | 0 | 0 | 114.2 | L23 F24 A25 L29 | L23-L27 HydrophobicContact CD1-CD1 3.97Å; L23-L27 HydrophobicContact CD1-CG 4.1Å; L23-L27 HydrophobicContact CG-CD1 3.89Å; L23-L27 HydrophobicContact CG-CG 4.42Å; L23-L27 WeakPolarHBondContact O-CB 3.44Å; L23-L27 VanDerWaalsContact O-CG 3.25Å; L23-L27 WeakPolarHBondContact O-CG 3.47Å; L23-L27 PolarHBondContact O-N 2.94Å; F24-L27 PolarHBondContact O-N 3.11Å; A25-L27 VanDerWaalsContact C-N 3.33Å; A25-L27 PolarHBondContact O-N 3.39Å; L27-L29 VanDerWaalsContact C-N 3.27Å |
| 28 | N | 56.1 | Low | 68.3 | Low | 103 Ų | 103 | 81.4 Ų | 81.4 | 55% | 0.551 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | 1.2 | 169.7 | -75.8 | -96.1 | 0 | 0 | 0 | 112.3 | F24 A25 L30 | F24-N28 WeakPolarHBondContact CD1-ND2 3.44Å; F24-N28 VanDerWaalsContact CE1-ND2 3.26Å; F24-N28 WeakPolarHBondContact CE1-ND2 3.35Å; F24-N28 VanDerWaalsContact CZ-ND2 3.34Å; F24-N28 WeakPolarHBondContact CZ-ND2 3.44Å; F24-N28 PolarHBondContact O-N 3.41Å; F24-N28 PolarHBondContact O-ND2 3.41Å; A25-N28 PolarHBondContact O-N 2.95Å; N28-L30 PolarHBondContact O-N 3.24Å |
| 29 | L | 52 | Low | 69 | Low | 58 Ų | 58 | 79.6 Ų | 79.6 | 30% | 0.304 | 42% | 0.424 | S | S | . | . | trans | -100.2 | 63.6 | 179 | -69.9 | 166.9 | 0 | 0 | 0 | 110.5 | A25 F26 L27 L178 L180 | A25-L29 WeakPolarHBondContact O-CD1 3.41Å; A25-L29 VanDerWaalsContact O-CG 3.28Å; A25-L29 WeakPolarHBondContact O-CG 3.09Å; A25-L29 PolarHBondContact O-N 3.09Å; F26-L29 PolarHBondContact O-N 2.89Å; L27-L29 VanDerWaalsContact C-N 3.27Å; L29-L178 HydrophobicContact CD2-CB 4.28Å; L29-L178 HydrophobicContact CD2-CD1 3.49Å; L29-L178 VanDerWaalsContact CD2-CD1 3.49Å; L29-L180 HydrophobicContact CB-CD1 3.95Å; L29-L180 HydrophobicContact CD1-CD1 3.93Å; L29-L180 HydrophobicContact CD1-CD2 3.43Å; L29-L180 VanDerWaalsContact CD1-CD2 3.43Å; L29-L180 HydrophobicContact CD1-CG 4.29Å; L29-L180 HydrophobicContact CD2-CD1 4.34Å; L29-L180 HydrophobicContact CD2-CD2 3.67Å; L29-L180 HydrophobicContact CG-CD1 4.28Å; L29-L180 HydrophobicContact CG-CD2 4.06Å | ||
| 30 | L | 52.1 | Low | 69.6 | Low | 138 Ų | 138 | 75.4 Ų | 75.4 | 72% | 0.723 | 40% | 0.402 | S | S | * | . | trans | -73.5 | 127.3 | 165.7 | -67 | 169.1 | 0 | 0 | 0 | 108.6 | N28 V32 | N28-L30 PolarHBondContact O-N 3.24Å; L30-V32 PolarHBondContact O-N 3.47Å | ||
| 31 | P | 49.8 | Very low | 70.3 | Confident | 107 Ų | 107 | 80.9 Ų | 80.9 | 70% | 0.695 | 42% | 0.422 | S | S | * | . | trans | -64.2 | 124.2 | 160.9 | 28.5 | -31.5 | 0 | 0 | 0 | 107.9 | ||||
| 32 | V | 47.9 | Very low | 70.8 | Confident | 126 Ų | 126 | 84.4 Ų | 84.4 | 76% | 0.764 | 43% | 0.432 | S | S | * | . | trans | -102.7 | 92.3 | 170.2 | -179.7 | 0 | 0 | 0 | 0 | 106.1 | L30 A34 | L30-V32 PolarHBondContact O-N 3.47Å; V32-A34 VanDerWaalsContact C-N 3.35Å; V32-A34 PolarHBondContact O-N 3.37Å | ||
| 33 | E | 56.8 | Low | 71.5 | Confident | 157 Ų | 157 | 86.8 Ų | 86.8 | 73% | 0.734 | 45% | 0.446 | S | S | * | . | trans | -71.8 | 84.8 | -179.2 | -65 | 171.1 | 154.4 | 0 | 0 | 110 | ||||
| 34 | A | 56.8 | Low | 72.3 | Confident | 13 Ų | 13 | 84.6 Ų | 84.6 | 11% | 0.107 | 44% | 0.442 | C | S | . | . | trans | -174.4 | 104.3 | 167.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | V32 L37 T47 | V32-A34 VanDerWaalsContact C-N 3.35Å; V32-A34 PolarHBondContact O-N 3.37Å; A34-L37 HydrophobicContact CB-CD2 3.71Å; A34-T47 HydrophobicContact CB-CG2 3.59Å | ||
| 35 | D | 82.4 | Confident | 73.4 | Confident | 30 Ų | 30 | 81.7 Ų | 81.7 | 16% | 0.16 | 44% | 0.439 | C | S | . | . | S | Bend | trans | -97.5 | -26.4 | 173.8 | -66.8 | -67.1 | 0 | 0 | 0 | 113 | D50 V173 E175 | D35-D50 WeakPolarHBondContact CB-OD1 3.48Å; D35-V173 PolarHBondContact O-N 3.34Å; D35-E175 WeakPolarHBondContact OD1-CA 3.42Å; D35-E175 WeakPolarHBondContact OD1-CB 3.17Å |
| 36 | I | 92.1 | Very high | 74.8 | Confident | 0 Ų | 0 | 82.9 Ų | 82.9 | 0% | 0 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 120.3 | 163.4 | -49.2 | -169.1 | 0 | 0 | 0 | 110.7 | T47 F48 D50 I120 V148 I150 L170 L172 | I36-T47 WeakPolarHBondContact O-CA 3.47Å; I36-F48 HydrophobicContact CB-CB 4.27Å; I36-F48 PolarHBondContact N-O 2.99Å; I36-F48 PolarHBondContact O-N 3.22Å; I36-D50 HydrophobicContact CD1-CB 4.1Å; I36-D50 HydrophobicContact CG1-CB 4.02Å; I36-D50 WeakPolarHBondContact CG1-OD1 3.34Å; I36-I120 HydrophobicContact CD1-CD1 4.08Å; I36-I120 HydrophobicContact CD1-CG1 4.44Å; I36-V148 HydrophobicContact CD1-CG2 4.19Å; I36-I150 HydrophobicContact CD1-CG2 3.72Å; I36-L170 HydrophobicContact CG2-CB 4.44Å; I36-L170 HydrophobicContact CG2-CD1 4.23Å; I36-L170 HydrophobicContact CG2-CD2 4.48Å; I36-L172 HydrophobicContact CB-CD2 4.4Å; I36-L172 HydrophobicContact CD1-CD2 3.84Å; I36-L172 HydrophobicContact CG1-CD2 3.72Å; I36-L172 HydrophobicContact CG2-CD2 4.17Å |
| 37 | L | 93.7 | Very high | 76.4 | Confident | 44 Ų | 44 | 81 Ų | 81 | 23% | 0.23 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 114.1 | 167.6 | -55.4 | 178.4 | 0 | 0 | 0 | 109.9 | A34 Y39 T47 L170 I171 V173 | A34-L37 HydrophobicContact CB-CD2 3.71Å; L37-Y39 HydrophobicContact CB-CE2 3.87Å; L37-T47 HydrophobicContact CD2-CG2 3.76Å; L37-L170 CarbonylContact O-C 3.51Å; L37-L170 WeakPolarHBondContact O-CA 3.5Å; L37-I171 HydrophobicContact CB-CB 4.32Å; L37-I171 PolarHBondContact N-O 3.38Å; L37-I171 PolarHBondContact O-N 3.35Å; L37-V173 HydrophobicContact CD1-CG2 3.77Å; L37-V173 HydrophobicContact CG-CG2 3.88Å |
| 38 | A | 93.8 | Very high | 78 | Confident | 0 Ų | 0 | 75.9 Ų | 75.9 | 0% | 0 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 140.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | S45 Q46 F48 L158 F162 L170 | A38-S45 CarbonylContact O-C 3.48Å; A38-S45 WeakPolarHBondContact O-CA 3.47Å; A38-S45 WeakPolarHBondContact O-CB 3.33Å; A38-Q46 PolarHBondContact N-O 2.92Å; A38-Q46 PolarHBondContact O-N 3.05Å; A38-F48 HydrophobicContact CB-CD2 4.19Å; A38-F48 HydrophobicContact CB-CE2 3.69Å; A38-L158 HydrophobicContact CB-CD2 3.92Å; A38-F162 HydrophobicContact CB-CB 4.19Å; A38-F162 HydrophobicContact CB-CD1 3.52Å; A38-F162 HydrophobicContact CB-CD2 4.01Å; A38-F162 HydrophobicContact CB-CE1 3.82Å; A38-F162 HydrophobicContact CB-CE2 4.29Å; A38-F162 HydrophobicContact CB-CG 3.62Å; A38-F162 HydrophobicContact CB-CZ 4.21Å; A38-L170 HydrophobicContact CB-CD2 3.45Å; A38-L170 VanDerWaalsContact CB-CD2 3.45Å |
| 39 | Y | 93.1 | Very high | 79.7 | Confident | 57 Ų | 57 | 75.5 Ų | 75.5 | 22% | 0.224 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 126.8 | 179.9 | -65.6 | -92.2 | 0 | 0 | 0 | 110.5 | L37 A44 G168 H169 I171 | L37-Y39 HydrophobicContact CB-CE2 3.87Å; Y39-A44 WeakPolarHBondContact CA-O 3.32Å; Y39-G168 CarbonylContact O-C 3.55Å; Y39-G168 VanDerWaalsContact O-CA 3.24Å; Y39-G168 WeakPolarHBondContact O-CA 3.32Å; Y39-H169 WeakPolarHBondContact CB-CE1 3.37Å; Y39-H169 AromaticContact CD2-NE2 3.79Å; Y39-H169 AromaticContact CG-CE1 3.96Å; Y39-H169 AromaticContact CG-NE2 3.9Å; Y39-H169 PolarHBondContact N-O 3.49Å; Y39-H169 PolarHBondContact O-N 3.36Å; Y39-I171 HydrophobicContact CE2-CD1 3.91Å; Y39-I171 HydrophobicContact CE2-CG1 4.24Å |
| 40 | N | 90.7 | Very high | 81.7 | Confident | 20 Ų | 20 | 73.3 Ų | 73.3 | 11% | 0.107 | 39% | 0.394 | C | S | . | . | trans | -83.8 | 179.4 | 178.1 | 80.8 | 4.5 | 0 | 0 | 0 | 111.5 | E42 N43 A44 E161 F162 | N40-E42 VanDerWaalsContact C-N 3.3Å; N40-E42 PolarHBondContact O-N 3.21Å; N40-E42 VanDerWaalsContact OD1-C 3.31Å; N40-E42 WeakPolarHBondContact OD1-CA 3.35Å; N40-E42 PolarHBondContact OD1-N 3.41Å; N40-N43 PolarHBondContact O-N 3.03Å; N40-N43 VanDerWaalsContact O-N 3.07Å; N40-N43 PolarHBondContact OD1-N 3.3Å; N40-A44 PolarHBondContact N-O 3.33Å; N40-A44 PolarHBondContact OD1-N 3.05Å; N40-A44 PolarHBondContact OD1-O 2.82Å; N40-E161 HydrophobicContact CB-CG 3.94Å; N40-E161 PolarHBondContact ND2-OE1 3.47Å; N40-F162 HydrophobicContact CB-CD1 4.16Å; N40-F162 HydrophobicContact CB-CE1 3.88Å | ||
| 41 | F | 88.1 | Confident | 83.6 | Confident | 169 Ų | 169 | 69.4 Ų | 69.4 | 74% | 0.741 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -30.1 | 178.7 | 178.2 | -97.1 | 0 | 0 | 0 | 113.9 | N43 K166 | F41-N43 PolarHBondContact O-N 2.94Å; F41-K166 WeakPolarHBondContact CB-O 3.41Å |
| 42 | E | 89.3 | Confident | 85.7 | Confident | 170 Ų | 170 | 66.7 Ų | 66.7 | 79% | 0.794 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | 3.5 | 175 | -56.1 | -168 | 164.6 | 0 | 0 | 112.6 | N40 A44 | N40-E42 VanDerWaalsContact C-N 3.3Å; N40-E42 PolarHBondContact O-N 3.21Å; N40-E42 VanDerWaalsContact OD1-C 3.31Å; N40-E42 WeakPolarHBondContact OD1-CA 3.35Å; N40-E42 PolarHBondContact OD1-N 3.41Å; E42-A44 PolarHBondContact O-N 2.89Å |
| 43 | N | 84.9 | Confident | 87.8 | Confident | 112 Ų | 112 | 61.6 Ų | 61.6 | 60% | 0.599 | 33% | 0.327 | S | S | * | . | trans | 59.5 | 25.1 | -175.6 | -157.3 | 95.6 | 0 | 0 | 0 | 113.6 | N40 F41 | N40-N43 PolarHBondContact O-N 3.03Å; N40-N43 VanDerWaalsContact O-N 3.07Å; N40-N43 PolarHBondContact OD1-N 3.3Å; F41-N43 PolarHBondContact O-N 2.94Å | ||
| 44 | A | 88.8 | Confident | 89.4 | Confident | 50 Ų | 50 | 63.5 Ų | 63.5 | 41% | 0.413 | 33% | 0.328 | S | S | . | . | trans | -74.9 | 147.6 | 159.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | Y39 N40 E42 | Y39-A44 WeakPolarHBondContact CA-O 3.32Å; N40-A44 PolarHBondContact N-O 3.33Å; N40-A44 PolarHBondContact OD1-N 3.05Å; N40-A44 PolarHBondContact OD1-O 2.82Å; E42-A44 PolarHBondContact O-N 2.89Å | ||
| 45 | S | 91.5 | Very high | 91.1 | Very high | 81 Ų | 81 | 63.6 Ų | 63.6 | 57% | 0.566 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 139.7 | -170.9 | 59.7 | 0 | 0 | 0 | 0 | 112.9 | A38 | A38-S45 CarbonylContact O-C 3.48Å; A38-S45 WeakPolarHBondContact O-CA 3.47Å; A38-S45 WeakPolarHBondContact O-CB 3.33Å |
| 46 | Q | 92.4 | Very high | 91.3 | Very high | 74 Ų | 74 | 63.5 Ų | 63.5 | 35% | 0.346 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 145.5 | 171.1 | -173.6 | 171.6 | 2.4 | 0 | 0 | 110 | A38 F48 F162 | A38-Q46 PolarHBondContact N-O 2.92Å; A38-Q46 PolarHBondContact O-N 3.05Å; Q46-F48 HydrophobicContact CB-CE2 4.05Å; Q46-F48 HydrophobicContact CB-CZ 4.09Å; Q46-F48 HydrophobicContact CG-CE1 4Å; Q46-F48 HydrophobicContact CG-CE2 3.9Å; Q46-F48 HydrophobicContact CG-CZ 3.59Å; Q46-F48 VanDerWaalsContact NE2-CE1 3.34Å; Q46-F162 HydrophobicContact CB-CE2 3.93Å; Q46-F162 HydrophobicContact CB-CZ 3.6Å |
| 47 | T | 93.3 | Very high | 91 | Very high | 76 Ų | 76 | 72.4 Ų | 72.4 | 47% | 0.466 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 147.9 | 174.9 | 57.4 | 0 | 0 | 0 | 0 | 110.1 | A34 I36 L37 | A34-T47 HydrophobicContact CB-CG2 3.59Å; I36-T47 WeakPolarHBondContact O-CA 3.47Å; L37-T47 HydrophobicContact CD2-CG2 3.76Å |
| 48 | F | 93.4 | Very high | 90.5 | Very high | 9 Ų | 9 | 80.9 Ų | 80.9 | 4% | 0.039 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 142.2 | 173.4 | -54.4 | -85.6 | 0 | 0 | 0 | 110.3 | I36 A38 Q46 L158 F162 | I36-F48 HydrophobicContact CB-CB 4.27Å; I36-F48 PolarHBondContact N-O 2.99Å; I36-F48 PolarHBondContact O-N 3.22Å; A38-F48 HydrophobicContact CB-CD2 4.19Å; A38-F48 HydrophobicContact CB-CE2 3.69Å; Q46-F48 HydrophobicContact CB-CE2 4.05Å; Q46-F48 HydrophobicContact CB-CZ 4.09Å; Q46-F48 HydrophobicContact CG-CE1 4Å; Q46-F48 HydrophobicContact CG-CE2 3.9Å; Q46-F48 HydrophobicContact CG-CZ 3.59Å; Q46-F48 VanDerWaalsContact NE2-CE1 3.34Å; F48-L158 HydrophobicContact CD2-CD1 4.47Å; F48-L158 HydrophobicContact CD2-CD2 3.84Å; F48-L158 HydrophobicContact CD2-CG 4.11Å; F48-L158 HydrophobicContact CE2-CD2 3.44Å; F48-L158 VanDerWaalsContact CE2-CD2 3.44Å; F48-L158 HydrophobicContact CE2-CG 3.81Å; F48-L158 HydrophobicContact CZ-CD2 4.11Å; F48-L158 HydrophobicContact CZ-CG 4.07Å; F48-F162 HydrophobicContact CE2-CD2 4.33Å; F48-F162 HydrophobicContact CE2-CE2 4.29Å; F48-F162 HydrophobicContact CZ-CD2 4.34Å; F48-F162 HydrophobicContact CZ-CE2 4.13Å |
| 49 | D | 91.9 | Very high | 90.2 | Very high | 94 Ų | 94 | 82.2 Ų | 82.2 | 50% | 0.503 | 40% | 0.403 | S | S | . | . | trans | -75.5 | 140 | 172.4 | -47.9 | -45.7 | 0 | 0 | 0 | 109.9 | L129 | D49-L129 HydrophobicContact CB-CD1 4.28Š| ||
| 50 | D | 93.4 | Very high | 89.8 | Confident | 13 Ų | 13 | 81.8 Ų | 81.8 | 7% | 0.07 | 41% | 0.407 | C | S | . | . | trans | -135.5 | 173.9 | 170.9 | 86.6 | -129.9 | 0 | 0 | 0 | 112.1 | D35 I36 V148 F149 I150 | D35-D50 WeakPolarHBondContact CB-OD1 3.48Å; I36-D50 HydrophobicContact CD1-CB 4.1Å; I36-D50 HydrophobicContact CG1-CB 4.02Å; I36-D50 WeakPolarHBondContact CG1-OD1 3.34Å; D50-V148 HydrophobicContact CB-CB 4.05Å; D50-V148 HydrophobicContact CB-CG2 4.41Å; D50-V148 VanDerWaalsContact OD2-CB 3.25Å; D50-V148 WeakPolarHBondContact OD2-CB 3.28Å; D50-V148 WeakPolarHBondContact OD2-CG1 3.07Å; D50-F149 CarbonylContact C-O 3.52Å; D50-F149 VanDerWaalsContact CA-O 3.23Å; D50-F149 WeakPolarHBondContact CA-O 3.43Å; D50-F149 WeakPolarHBondContact CB-O 3.33Å; D50-I150 HydrophobicContact CB-CG2 3.57Å | ||
| 51 | L | 92.6 | Very high | 89.3 | Confident | 55 Ų | 55 | 84.5 Ų | 84.5 | 29% | 0.288 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 116 | 172.1 | -178.6 | 65.6 | 0 | 0 | 0 | 109.5 | L129 F149 | L51-L129 HydrophobicContact CB-CB 4.06Å; L51-L129 HydrophobicContact CB-CD1 4.33Å; L51-L129 HydrophobicContact CD2-CB 4.21Å; L51-F149 HydrophobicContact CB-CB 4.49Å; L51-F149 PolarHBondContact N-O 3.28Å; L51-F149 PolarHBondContact O-N 3.15Å |
| 52 | P | 92.7 | Very high | 89.1 | Confident | 51 Ų | 51 | 84.1 Ų | 84.1 | 33% | 0.331 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 146.4 | -178.5 | 22 | -33.1 | 0 | 0 | 0 | 113.2 | ||
| 53 | A | 92.6 | Very high | 89.1 | Confident | 19 Ų | 19 | 76.5 Ų | 76.5 | 16% | 0.157 | 40% | 0.4 | C | S | . | . | trans | -65.6 | 150.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | F55 M132 S147 | A53-F55 HydrophobicContact CB-CD1 4.28Å; A53-F55 HydrophobicContact CB-CD2 4.06Å; A53-F55 HydrophobicContact CB-CE1 4.21Å; A53-F55 HydrophobicContact CB-CE2 3.96Å; A53-F55 HydrophobicContact CB-CG 4.22Å; A53-F55 HydrophobicContact CB-CZ 4.04Å; A53-F55 PolarHBondContact O-N 3.07Å; A53-F55 VanDerWaalsContact O-N 3.09Å; A53-M132 HydrophobicContact CB-CB 4.09Å; A53-M132 HydrophobicContact CB-CE 4.14Å; A53-S147 WeakPolarHBondContact CB-O 3.45Å; A53-S147 VanDerWaalsContact CB-OG 3.23Å; A53-S147 WeakPolarHBondContact CB-OG 3.34Å; A53-S147 PolarHBondContact N-O 3.28Å | ||
| 54 | R | 90.6 | Very high | 89.4 | Confident | 196 Ų | 196 | 72.7 Ų | 72.7 | 74% | 0.74 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -79.6 | 21.7 | 171.9 | -61.2 | 178.8 | 58.9 | -173.7 | -4 | 112.9 | S131 M132 | R54-S131 VanDerWaalsContact CD-OG 3.27Å; R54-S131 WeakPolarHBondContact CD-OG 3.4Å; R54-M132 WeakPolarHBondContact CB-O 3.27Å; R54-M132 PolarHBondContact N-O 3.48Å |
| 55 | F | 91.3 | Very high | 89.6 | Confident | 16 Ų | 16 | 75.9 Ų | 75.9 | 7% | 0.07 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -158.1 | 170.9 | -177.1 | 59.2 | -107 | 0 | 0 | 0 | 110.9 | A53 F104 V108 M132 L140 I143 S147 | A53-F55 HydrophobicContact CB-CD1 4.28Å; A53-F55 HydrophobicContact CB-CD2 4.06Å; A53-F55 HydrophobicContact CB-CE1 4.21Å; A53-F55 HydrophobicContact CB-CE2 3.96Å; A53-F55 HydrophobicContact CB-CG 4.22Å; A53-F55 HydrophobicContact CB-CZ 4.04Å; A53-F55 PolarHBondContact O-N 3.07Å; A53-F55 VanDerWaalsContact O-N 3.09Å; F55-F104 HydrophobicContact CE1-CB 4.38Å; F55-F104 HydrophobicContact CZ-CB 4.16Å; F55-V108 HydrophobicContact CE2-CB 4Å; F55-V108 HydrophobicContact CE2-CG1 4.15Å; F55-V108 HydrophobicContact CE2-CG2 3.96Å; F55-V108 HydrophobicContact CZ-CG2 4.25Å; F55-M132 HydrophobicContact CE1-CB 4.05Å; F55-M132 HydrophobicContact CZ-CB 4.22Å; F55-L140 HydrophobicContact CB-CD1 4.46Å; F55-L140 HydrophobicContact CB-CD2 3.61Å; F55-L140 HydrophobicContact CB-CG 4.4Å; F55-L140 HydrophobicContact CD1-CD2 3.58Å; F55-L140 HydrophobicContact CE1-CD2 4.38Å; F55-L140 HydrophobicContact CG-CD2 3.69Å; F55-I143 HydrophobicContact CD2-CB 4.39Å; F55-I143 HydrophobicContact CD2-CD1 3.91Å; F55-I143 HydrophobicContact CD2-CG2 3.91Å; F55-I143 HydrophobicContact CE2-CD1 4Å; F55-I143 HydrophobicContact CE2-CG2 4.31Å; F55-S147 WeakPolarHBondContact CE2-OG 3.27Å |
| 56 | G | 87.5 | Confident | 89.7 | Confident | 28 Ų | 28 | 72.1 Ų | 72.1 | 29% | 0.289 | 36% | 0.358 | S | S | . | . | S | Bend | trans | 82.8 | 174 | -167.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | I143 I145 | G56-I143 WeakPolarHBondContact CA-O 3.47Å; G56-I145 WeakPolarHBondContact CA-O 3.38Å |
| 57 | Y | 84.6 | Confident | 89.8 | Confident | 187 Ų | 187 | 71.1 Ų | 71.1 | 73% | 0.733 | 35% | 0.353 | S | S | * | . | P | Polyproline II helix | trans | -78.8 | 156.1 | 171.2 | -152.7 | -98.8 | 0 | 0 | 0 | 111 | D144 P146 | Y57-D144 WeakPolarHBondContact CB-O 3.45Å; Y57-D144 PolarHBondContact N-O 2.89Å; Y57-P146 WeakPolarHBondContact O-CA 3.39Å; Y57-P146 WeakPolarHBondContact O-CB 3.16Å |
| 58 | R | 83.7 | Confident | 89.9 | Confident | 221 Ų | 221 | 67.6 Ų | 67.6 | 83% | 0.834 | 33% | 0.331 | S | S | * | . | P | Polyproline II helix | trans | -69.3 | 153.3 | 175.3 | -70.9 | -178.8 | 176.2 | 150.6 | -1.1 | 111 | ||
| 59 | L | 87.4 | Confident | 90.1 | Very high | 28 Ų | 28 | 68.4 Ų | 68.4 | 15% | 0.147 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -61.8 | 145.1 | 172 | -73.7 | 166.3 | 0 | 0 | 0 | 110.9 | L64 P146 L172 V173 P174 | L59-L64 HydrophobicContact CD2-CB 3.71Å; L59-L64 HydrophobicContact CD2-CD2 4.27Å; L59-P146 HydrophobicContact CD2-CB 3.74Å; L59-P146 HydrophobicContact CD2-CG 3.84Å; L59-P146 HydrophobicContact CG-CB 4.05Å; L59-L172 HydrophobicContact CD1-CB 3.81Å; L59-L172 HydrophobicContact CD2-CB 3.68Å; L59-L172 HydrophobicContact CD2-CD1 4.2Å; L59-L172 HydrophobicContact CG-CB 4.44Å; L59-V173 VanDerWaalsContact CD1-O 3.31Å; L59-V173 WeakPolarHBondContact CD1-O 3.27Å; L59-P174 HydrophobicContact CB-CB 3.97Å |
| 60 | P | 85 | Confident | 90.3 | Very high | 49 Ų | 49 | 66.5 Ų | 66.5 | 32% | 0.318 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 152.9 | 172.5 | -20.9 | 33 | 0 | 0 | 0 | 111.7 | E62 G63 P174 | P60-E62 HydrophobicContact CB-CG 4.08Å; P60-E62 VanDerWaalsContact CB-OE2 3.26Å; P60-E62 WeakPolarHBondContact CB-OE2 3.26Å; P60-E62 PolarHBondContact O-N 2.84Å; P60-G63 PolarHBondContact O-N 2.81Å; P60-P174 WeakPolarHBondContact O-CD 3.48Å; P60-P174 WeakPolarHBondContact O-CG 3.13Å |
| 61 | A | 80.9 | Confident | 90.5 | Very high | 76 Ų | 76 | 66 Ų | 66 | 63% | 0.628 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -27.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | G63 | A61-G63 VanDerWaalsContact C-N 3.33Š|
| 62 | E | 83.8 | Confident | 90.7 | Very high | 161 Ų | 161 | 69.3 Ų | 69.3 | 75% | 0.752 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -4.3 | 174.4 | 66.2 | -88.4 | -148.9 | 0 | 0 | 114.3 | P60 | P60-E62 HydrophobicContact CB-CG 4.08Å; P60-E62 VanDerWaalsContact CB-OE2 3.26Å; P60-E62 WeakPolarHBondContact CB-OE2 3.26Å; P60-E62 PolarHBondContact O-N 2.84Å |
| 63 | G | 88.4 | Confident | 91 | Very high | 11 Ų | 11 | 69.4 Ų | 69.4 | 11% | 0.113 | 34% | 0.335 | C | S | . | . | trans | 77.5 | 157.8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | P60 A61 L172 | P60-G63 PolarHBondContact O-N 2.81Å; A61-G63 VanDerWaalsContact C-N 3.33Å; G63-L172 CarbonylContact C-O 3.58Å; G63-L172 WeakPolarHBondContact CA-O 3.32Å | ||
| 64 | L | 91.5 | Very high | 91.2 | Very high | 31 Ų | 31 | 73.6 Ų | 73.6 | 16% | 0.162 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 99.3 | 178.2 | -178.3 | 60.3 | 0 | 0 | 0 | 110.9 | L59 A92 A118 P146 L172 | L59-L64 HydrophobicContact CD2-CB 3.71Å; L59-L64 HydrophobicContact CD2-CD2 4.27Å; L64-A92 HydrophobicContact CD1-CB 4.05Å; L64-A118 HydrophobicContact CD2-CB 3.76Å; L64-P146 HydrophobicContact CD2-CG 3.8Å; L64-L172 HydrophobicContact CB-CB 4.42Å; L64-L172 PolarHBondContact N-O 2.84Å; L64-L172 PolarHBondContact O-N 3.3Å |
| 65 | K | 93.3 | Very high | 91.5 | Very high | 117 Ų | 117 | 66.1 Ų | 66.1 | 51% | 0.509 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 126 | 173 | 176.6 | 159.3 | 171.7 | 149.8 | 0 | 111.9 | A92 H169 L170 I171 | K65-A92 WeakPolarHBondContact O-CB 3.16Å; K65-H169 WeakPolarHBondContact CE-CD2 3.36Å; K65-H169 WeakPolarHBondContact CE-NE2 3.38Å; K65-H169 PolarHBondContact NZ-CD2 3.26Å; K65-H169 VanDerWaalsContact NZ-CD2 3.29Å; K65-H169 PolarHBondContact NZ-NE2 2.84Å; K65-L170 CarbonylContact C-O 3.57Å; K65-L170 VanDerWaalsContact CA-O 3.31Å; K65-L170 WeakPolarHBondContact CA-O 3.4Å; K65-I171 HydrophobicContact CB-CG1 4.08Å; K65-I171 HydrophobicContact CD-CD1 4.31Å; K65-I171 HydrophobicContact CD-CG1 4.24Å; K65-I171 HydrophobicContact CG-CG1 4.2Å |
| 66 | G | 93.6 | Very high | 91.8 | Very high | 2 Ų | 2 | 65.3 Ų | 65.3 | 2% | 0.021 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.4 | 170.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | A92 L170 | G66-A92 CarbonylContact C-O 3.5Å; G66-A92 WeakPolarHBondContact CA-O 3.41Å; G66-L170 PolarHBondContact N-O 2.92Å; G66-L170 PolarHBondContact O-N 2.68Å |
| 67 | F | 94.7 | Very high | 92.3 | Very high | 54 Ų | 54 | 65.5 Ų | 65.5 | 24% | 0.237 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 132.7 | 179.4 | -63.6 | -74.8 | 0 | 0 | 0 | 111.4 | A92 F93 I94 Y164 G168 H169 | F67-A92 PolarHBondContact N-O 2.83Å; F67-F93 HydrophobicContact CB-CD1 3.81Å; F67-F93 HydrophobicContact CB-CE1 3.94Å; F67-F93 HydrophobicContact CD2-CE1 4.28Å; F67-F93 HydrophobicContact CG-CE1 4.45Å; F67-I94 PolarHBondContact O-N 3.12Å; F67-Y164 HydrophobicContact CB-CD2 3.73Å; F67-Y164 HydrophobicContact CB-CG 4.32Å; F67-Y164 AromaticContact CD1-CD2 3.84Å; F67-Y164 HydrophobicContact CD1-CD2 3.84Å; F67-Y164 HydrophobicContact CD1-CE2 4.47Å; F67-Y164 HydrophobicContact CD2-CD2 4.46Å; F67-Y164 AromaticContact CG-CD2 3.77Å; F67-Y164 HydrophobicContact CG-CD2 3.77Å; F67-Y164 HydrophobicContact CG-CE2 4.36Å; F67-G168 WeakPolarHBondContact CD1-O 3.35Å; F67-H169 HydrophobicContact CD1-CB 4.01Å; F67-H169 HydrophobicContact CE1-CB 4.12Å |
| 68 | L | 96.1 | Very high | 92.9 | Very high | 1 Ų | 1 | 63.3 Ų | 63.3 | 1% | 0.005 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 132 | -176.7 | -175.8 | 66.8 | 0 | 0 | 0 | 112.7 | I94 L96 I120 L158 T163 Y164 L170 | L68-I94 CarbonylContact C-O 3.56Å; L68-I94 WeakPolarHBondContact CA-O 3.4Å; L68-L96 HydrophobicContact CD1-CB 3.85Å; L68-L96 HydrophobicContact CD2-CD2 4.39Å; L68-I120 HydrophobicContact CD1-CD1 3.94Å; L68-L158 HydrophobicContact CD2-CB 3.75Å; L68-L158 HydrophobicContact CD2-CD2 4.31Å; L68-L158 WeakPolarHBondContact CD2-O 3.47Å; L68-T163 HydrophobicContact CD2-CG2 4.26Å; L68-Y164 VanDerWaalsContact O-CB 3.26Å; L68-Y164 WeakPolarHBondContact O-CB 3.44Å; L68-Y164 PolarHBondContact O-N 3.46Å; L68-L170 HydrophobicContact CB-CD1 4.03Å; L68-L170 HydrophobicContact CB-CG 4.14Å; L68-L170 HydrophobicContact CD1-CD1 3.79Å; L68-L170 HydrophobicContact CD2-CD1 4.23Å; L68-L170 HydrophobicContact CG-CD1 4.23Å |
| 69 | I | 96 | Very high | 93.6 | Very high | 27 Ų | 27 | 58.1 Ų | 58.1 | 14% | 0.138 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 131.5 | 178.1 | -63.9 | -172.8 | 0 | 0 | 0 | 110.8 | S71 P83 P84 F93 I94 V95 L96 Y116 Y164 | I69-S71 PolarHBondContact O-N 3.21Å; I69-P83 HydrophobicContact CD1-CB 4.37Å; I69-P84 HydrophobicContact CD1-CG 3.95Å; I69-F93 HydrophobicContact CD1-CD1 3.45Å; I69-F93 VanDerWaalsContact CD1-CD1 3.45Å; I69-F93 HydrophobicContact CD1-CE1 3.81Å; I69-F93 HydrophobicContact CD1-CG 4.33Å; I69-F93 HydrophobicContact CG1-CD1 4.18Å; I69-I94 PolarHBondContact N-O 2.93Å; I69-V95 CarbonylContact O-C 3.46Å; I69-V95 VanDerWaalsContact O-CA 3.32Å; I69-V95 WeakPolarHBondContact O-CA 3.28Å; I69-L96 PolarHBondContact O-N 3.41Å; I69-Y116 HydrophobicContact CB-CE1 4.18Å; I69-Y116 HydrophobicContact CD1-CE1 4.41Å; I69-Y116 HydrophobicContact CG2-CE1 4.34Å; I69-Y164 HydrophobicContact CD1-CD1 4.46Å |
| 70 | N | 97 | Very high | 94.1 | Very high | 54 Ų | 54 | 57.3 Ų | 57.3 | 29% | 0.289 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 130.1 | 172.3 | -65.5 | 38.4 | 0 | 0 | 0 | 110.8 | ||
| 71 | S | 97.8 | Very high | 94.7 | Very high | 2 Ų | 2 | 59 Ų | 59 | 1% | 0.014 | 32% | 0.315 | C | S | . | . | trans | -59.2 | 144.5 | 175.2 | -170.9 | 0 | 0 | 0 | 0 | 112.2 | I69 P73 E74 I80 L96 | I69-S71 PolarHBondContact O-N 3.21Å; S71-P73 CarbonylContact C-O 3.44Å; S71-P73 WeakPolarHBondContact CB-O 3.24Å; S71-P73 CarbonylContact O-C 3.59Å; S71-P73 PolarHBondContact OG-O 3.36Å; S71-E74 WeakPolarHBondContact O-CA 3.47Å; S71-E74 PolarHBondContact O-N 3.32Å; S71-I80 WeakPolarHBondContact OG-CG2 3.37Å; S71-L96 VanDerWaalsContact CB-O 3.28Å; S71-L96 WeakPolarHBondContact CB-O 3.38Å; S71-L96 PolarHBondContact N-O 3Å | ||
| 72 | K | 97.1 | Very high | 95.3 | Very high | 125 Ų | 125 | 59.3 Ų | 59.3 | 54% | 0.543 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -137 | 108.3 | 173.9 | -68.2 | 176.5 | -175.1 | 167.8 | 0 | 108.2 | I80 V81 | K72-I80 WeakPolarHBondContact O-CA 3.43Å; K72-I80 WeakPolarHBondContact O-CB 3.31Å; K72-V81 HydrophobicContact CB-CB 4.37Å; K72-V81 HydrophobicContact CB-CG2 3.97Å; K72-V81 PolarHBondContact O-N 3.22Å |
| 73 | P | 97.8 | Very high | 95.8 | Very high | 52 Ų | 52 | 52.6 Ų | 52.6 | 34% | 0.338 | 28% | 0.282 | S | S | . | . | S | Bend | cis | -61.4 | 152.2 | -4.5 | 27.5 | -36.9 | 0 | 0 | 0 | 113.5 | S71 N75 A76 E78 | S71-P73 CarbonylContact C-O 3.44Å; S71-P73 WeakPolarHBondContact CB-O 3.24Å; S71-P73 CarbonylContact O-C 3.59Å; S71-P73 PolarHBondContact OG-O 3.36Å; P73-N75 PolarHBondContact O-N 3.13Å; P73-A76 PolarHBondContact O-N 3.25Å; P73-A76 VanDerWaalsContact O-N 3.12Å; P73-E78 HydrophobicContact CG-CB 4.44Å |
| 74 | E | 97.6 | Very high | 95.8 | Very high | 108 Ų | 108 | 54.6 Ų | 54.6 | 51% | 0.505 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -35 | -175.3 | -67.2 | -166 | 176.2 | 0 | 0 | 113.5 | S71 I97 R98 | S71-E74 WeakPolarHBondContact O-CA 3.47Å; S71-E74 PolarHBondContact O-N 3.32Å; E74-I97 WeakPolarHBondContact O-CG2 3.46Å; E74-R98 HydrophobicContact CB-CB 4.16Å; E74-R98 PolarHBondContact O-N 3.24Å |
| 75 | N | 97.1 | Very high | 95 | Very high | 38 Ų | 38 | 59.2 Ų | 59.2 | 20% | 0.203 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -9.1 | -177.8 | 69 | 11 | 0 | 0 | 0 | 114.1 | P73 C77 D101 K107 | P73-N75 PolarHBondContact O-N 3.13Å; N75-C77 PolarHBondContact O-N 3.42Å; N75-C77 PolarHBondContact O-SG 3.23Å; N75-C77 VanDerWaalsContact O-SG 3.4Å; N75-C77 PolarHBondContact OD1-N 2.64Å; N75-C77 VanDerWaalsContact OD1-N 3.14Å; N75-D101 HydrophobicContact CB-CB 4.4Å; N75-D101 WeakPolarHBondContact CB-OD2 3.18Å; N75-D101 PolarHBondContact ND2-OD2 2.78Å; N75-K107 WeakPolarHBondContact O-CG 3.4Å; N75-K107 PolarHBondContact O-NZ 3.28Å |
| 76 | A | 98.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 32% | 0.316 | C | S | . | . | trans | 49.6 | 22.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | P73 E78 I80 I97 K107 N110 | P73-A76 PolarHBondContact O-N 3.25Å; P73-A76 VanDerWaalsContact O-N 3.12Å; A76-E78 VanDerWaalsContact C-N 3.31Å; A76-E78 CarbonylContact C-O 3.45Å; A76-I80 HydrophobicContact CB-CG2 3.6Å; A76-I97 HydrophobicContact CB-CD1 3.93Å; A76-I97 HydrophobicContact CB-CG1 4.19Å; A76-I97 HydrophobicContact CB-CG2 3.56Å; A76-K107 HydrophobicContact CB-CB 4.3Å; A76-N110 WeakPolarHBondContact O-CB 3.45Å; A76-N110 PolarHBondContact O-ND2 2.9Å | ||
| 77 | C | 97.6 | Very high | 92 | Very high | 31 Ų | 31 | 64.8 Ų | 64.8 | 21% | 0.209 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -75.5 | -24.1 | -179.8 | -59.1 | 0 | 0 | 0 | 0 | 112.6 | N75 C102 N110 | N75-C77 PolarHBondContact O-N 3.42Å; N75-C77 PolarHBondContact O-SG 3.23Å; N75-C77 VanDerWaalsContact O-SG 3.4Å; N75-C77 PolarHBondContact OD1-N 2.64Å; N75-C77 VanDerWaalsContact OD1-N 3.14Å; C77-C102 WeakPolarHBondContact CA-SG 3.29Å; C77-C102 HydrophobicContact CB-CB 3.77Å; C77-C102 WeakPolarHBondContact CB-SG 3.22Å; C77-C102 WeakPolarHBondContact SG-CB 3.12Å; C77-C102 CovalentContact SG-SG 2.03Å; C77-C102 PolarHBondContact SG-SG 3.35Å; C77-N110 PolarHBondContact O-ND2 3.03Å; C77-N110 VanDerWaalsContact O-ND2 3.16Å |
| 78 | E | 97.2 | Very high | 90.2 | Very high | 141 Ų | 141 | 69.8 Ų | 69.8 | 66% | 0.659 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -107.1 | 166.4 | 168.6 | -64.8 | -173.7 | 165.6 | 0 | 0 | 110.4 | P73 A76 I80 N110 | P73-E78 HydrophobicContact CG-CB 4.44Å; A76-E78 VanDerWaalsContact C-N 3.31Å; A76-E78 CarbonylContact C-O 3.45Å; E78-I80 WeakPolarHBondContact O-CG2 3.49Å; E78-I80 PolarHBondContact O-N 3.28Å; E78-N110 PolarHBondContact O-ND2 2.83Å |
| 79 | P | 97.8 | Very high | 88.3 | Confident | 112 Ų | 112 | 72.9 Ų | 72.9 | 73% | 0.727 | 40% | 0.403 | S | S | * | . | P | Polyproline II helix | trans | -54.7 | 126.1 | 175.9 | -26.4 | 36.1 | 0 | 0 | 0 | 112.4 | ||
| 80 | I | 98 | Very high | 86.8 | Confident | 12 Ų | 12 | 78.1 Ų | 78.1 | 6% | 0.062 | 44% | 0.442 | C | S | . | . | P | Polyproline II helix | trans | -94.9 | 160.6 | -172.8 | 70.7 | 173.5 | 0 | 0 | 0 | 112.9 | S71 K72 A76 E78 V95 A111 A114 Y116 | S71-I80 WeakPolarHBondContact OG-CG2 3.37Å; K72-I80 WeakPolarHBondContact O-CA 3.43Å; K72-I80 WeakPolarHBondContact O-CB 3.31Å; A76-I80 HydrophobicContact CB-CG2 3.6Å; E78-I80 WeakPolarHBondContact O-CG2 3.49Å; E78-I80 PolarHBondContact O-N 3.28Å; I80-V95 HydrophobicContact CD1-CG1 4.47Å; I80-V95 HydrophobicContact CD1-CG2 3.98Å; I80-A111 HydrophobicContact CD1-CB 4.21Å; I80-A114 HydrophobicContact CD1-CB 4.27Å; I80-A114 HydrophobicContact CG1-CB 3.48Å; I80-A114 VanDerWaalsContact CG1-CB 3.48Å; I80-Y116 HydrophobicContact CD1-CD2 3.95Å; I80-Y116 HydrophobicContact CD1-CE2 3.64Å; I80-Y116 HydrophobicContact CG1-CE2 4.09Å |
| 81 | V | 96.6 | Very high | 85.8 | Confident | 84 Ų | 84 | 77 Ų | 77 | 51% | 0.509 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -60.5 | 127.8 | 175.1 | 179.8 | 0 | 0 | 0 | 0 | 110.4 | K72 Y116 | K72-V81 HydrophobicContact CB-CB 4.37Å; K72-V81 HydrophobicContact CB-CG2 3.97Å; K72-V81 PolarHBondContact O-N 3.22Å; V81-Y116 WeakPolarHBondContact O-CE2 3.44Å; V81-Y116 PolarHBondContact O-OH 3.14Å |
| 82 | P | 95.3 | Very high | 85.5 | Confident | 82 Ų | 82 | 77.7 Ų | 77.7 | 53% | 0.532 | 45% | 0.449 | S | S | . | . | P | Polyproline II helix | trans | -66.8 | 159.5 | 178.7 | 29.1 | -36.7 | 0 | 0 | 0 | 112.3 | A114 | P82-A114 WeakPolarHBondContact CA-O 3.23Å; P82-A114 VanDerWaalsContact CB-O 3.3Å; P82-A114 WeakPolarHBondContact CB-O 3.41Å |
| 83 | P | 93.2 | Very high | 85.4 | Confident | 21 Ų | 21 | 72.8 Ų | 72.8 | 14% | 0.136 | 43% | 0.428 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 155.7 | 179.5 | 26.9 | -32.6 | 0 | 0 | 0 | 112.2 | I69 V85 F93 A114 Y116 | I69-P83 HydrophobicContact CD1-CB 4.37Å; P83-V85 PolarHBondContact O-N 3.41Å; P83-F93 HydrophobicContact CB-CB 3.63Å; P83-F93 HydrophobicContact CB-CD1 4.11Å; P83-F93 HydrophobicContact CB-CD2 3.57Å; P83-F93 HydrophobicContact CB-CE2 4.18Å; P83-F93 HydrophobicContact CB-CG 3.51Å; P83-F93 HydrophobicContact CG-CB 4.2Å; P83-F93 HydrophobicContact CG-CD2 4.12Å; P83-F93 HydrophobicContact CG-CG 4.34Å; P83-A114 WeakPolarHBondContact CD-O 3.32Å; P83-Y116 HydrophobicContact CB-CD1 4.2Å; P83-Y116 HydrophobicContact CB-CE1 3.73Å; P83-Y116 HydrophobicContact CG-CD1 4.36Å; P83-Y116 HydrophobicContact CG-CE1 4.23Å |
| 84 | P | 89.1 | Confident | 85.4 | Confident | 52 Ų | 52 | 70.3 Ų | 70.3 | 34% | 0.338 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -56.5 | 120.8 | 176.4 | -25.2 | 34.5 | 0 | 0 | 0 | 112.4 | I69 K86 F93 Y164 | I69-P84 HydrophobicContact CD1-CG 3.95Å; P84-K86 PolarHBondContact O-N 2.95Å; P84-F93 HydrophobicContact CB-CZ 4.49Å; P84-F93 WeakPolarHBondContact O-CE2 3.15Å; P84-F93 WeakPolarHBondContact O-CZ 3.44Å; P84-Y164 HydrophobicContact CB-CE1 4.33Å; P84-Y164 HydrophobicContact CG-CD1 4.34Å; P84-Y164 HydrophobicContact CG-CE1 3.96Å |
| 85 | V | 74.6 | Confident | 85.4 | Confident | 129 Ų | 129 | 65.1 Ų | 65.1 | 78% | 0.782 | 39% | 0.388 | S | S | * | . | P | Polyproline II helix | trans | -63.3 | 128.7 | 175.1 | -175.3 | 0 | 0 | 0 | 0 | 109.6 | P83 | P83-V85 PolarHBondContact O-N 3.41Š|
| 86 | K | 64.4 | Low | 85.5 | Confident | 90 Ų | 90 | 63.6 Ų | 63.6 | 39% | 0.391 | 38% | 0.379 | S | S | . | . | trans | -132.9 | 106.4 | 172.3 | -90.8 | 178.4 | 151.8 | 168.5 | 0 | 109.4 | P84 N88 S89 Y164 | P84-K86 PolarHBondContact O-N 2.95Å; K86-N88 PolarHBondContact O-N 3.5Å; K86-S89 PolarHBondContact O-N 3.19Å; K86-Y164 WeakPolarHBondContact CE-OH 3.44Å; K86-Y164 PolarHBondContact NZ-OH 2.84Å | ||
| 87 | D | 58.1 | Low | 85.5 | Confident | 145 Ų | 145 | 63.6 Ų | 63.6 | 78% | 0.775 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -16.6 | -168.2 | -52.7 | -53.3 | 0 | 0 | 0 | 115.3 | ||
| 88 | N | 57.3 | Low | 85.5 | Confident | 160 Ų | 160 | 65.9 Ų | 65.9 | 86% | 0.856 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -142 | 21.8 | -176 | -73.5 | -82.1 | 0 | 0 | 0 | 114.1 | K86 | K86-N88 PolarHBondContact O-N 3.5Š|
| 89 | S | 57.8 | Low | 85.5 | Confident | 65 Ų | 65 | 62.6 Ų | 62.6 | 46% | 0.455 | 37% | 0.365 | S | S | . | . | trans | -113.6 | 106.4 | 178 | -61 | 0 | 0 | 0 | 0 | 112 | K86 G91 | K86-S89 PolarHBondContact O-N 3.19Å; S89-G91 PolarHBondContact O-N 2.75Å | ||
| 90 | S | 63.7 | Low | 85.3 | Confident | 137 Ų | 137 | 61.1 Ų | 61.1 | 96% | 0.958 | 35% | 0.351 | S | S | * | . | trans | -72.7 | 29.5 | 179.8 | -167.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 91 | G | 76.8 | Confident | 85.3 | Confident | 31 Ų | 31 | 66.7 Ų | 66.7 | 32% | 0.32 | 38% | 0.38 | S | S | . | . | trans | -87.3 | 132.9 | 178 | 0 | 0 | 0 | 0 | 0 | 111.3 | S89 | S89-G91 PolarHBondContact O-N 2.75Š| ||
| 92 | A | 91.3 | Very high | 85.2 | Confident | 16 Ų | 16 | 64.2 Ų | 64.2 | 13% | 0.132 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 152.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | L64 K65 G66 F67 K117 | L64-A92 HydrophobicContact CD1-CB 4.05Å; K65-A92 WeakPolarHBondContact O-CB 3.16Å; G66-A92 CarbonylContact C-O 3.5Å; G66-A92 WeakPolarHBondContact CA-O 3.41Å; F67-A92 PolarHBondContact N-O 2.83Å; A92-K117 HydrophobicContact CB-CB 3.88Å; A92-K117 HydrophobicContact CB-CG 4.11Å |
| 93 | F | 95.3 | Very high | 85.2 | Confident | 22 Ų | 22 | 65.5 Ų | 65.5 | 10% | 0.096 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 134.9 | 167.8 | -72.6 | -78.9 | 0 | 0 | 0 | 109.9 | F67 I69 P83 P84 Y116 K117 Y164 | F67-F93 HydrophobicContact CB-CD1 3.81Å; F67-F93 HydrophobicContact CB-CE1 3.94Å; F67-F93 HydrophobicContact CD2-CE1 4.28Å; F67-F93 HydrophobicContact CG-CE1 4.45Å; I69-F93 HydrophobicContact CD1-CD1 3.45Å; I69-F93 VanDerWaalsContact CD1-CD1 3.45Å; I69-F93 HydrophobicContact CD1-CE1 3.81Å; I69-F93 HydrophobicContact CD1-CG 4.33Å; I69-F93 HydrophobicContact CG1-CD1 4.18Å; P83-F93 HydrophobicContact CB-CB 3.63Å; P83-F93 HydrophobicContact CB-CD1 4.11Å; P83-F93 HydrophobicContact CB-CD2 3.57Å; P83-F93 HydrophobicContact CB-CE2 4.18Å; P83-F93 HydrophobicContact CB-CG 3.51Å; P83-F93 HydrophobicContact CG-CB 4.2Å; P83-F93 HydrophobicContact CG-CD2 4.12Å; P83-F93 HydrophobicContact CG-CG 4.34Å; P84-F93 HydrophobicContact CB-CZ 4.49Å; P84-F93 WeakPolarHBondContact O-CE2 3.15Å; P84-F93 WeakPolarHBondContact O-CZ 3.44Å; F93-Y116 HydrophobicContact CB-CD1 3.88Å; F93-Y116 HydrophobicContact CB-CE1 4.23Å; F93-K117 PolarHBondContact O-N 2.86Å; F93-Y164 HydrophobicContact CE1-CD2 4.03Å; F93-Y164 HydrophobicContact CE1-CE2 4.07Å; F93-Y164 HydrophobicContact CE1-CG 4.35Å; F93-Y164 HydrophobicContact CZ-CE2 4.49Å |
| 94 | I | 96.8 | Very high | 85.4 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 123.9 | -176.1 | -55.3 | 177.9 | 0 | 0 | 0 | 107 | F67 L68 I69 A118 I120 L170 L172 | F67-I94 PolarHBondContact O-N 3.12Å; L68-I94 CarbonylContact C-O 3.56Å; L68-I94 WeakPolarHBondContact CA-O 3.4Å; I69-I94 PolarHBondContact N-O 2.93Å; I94-A118 WeakPolarHBondContact CA-O 3.39Å; I94-A118 HydrophobicContact CG1-CB 4.2Å; I94-A118 HydrophobicContact CG2-CB 4.12Å; I94-I120 HydrophobicContact CG2-CD1 3.68Å; I94-I120 HydrophobicContact CG2-CG1 3.75Å; I94-L170 HydrophobicContact CD1-CB 4.37Å; I94-L172 HydrophobicContact CD1-CD1 4.11Å; I94-L172 HydrophobicContact CD1-CG 4.1Å; I94-L172 HydrophobicContact CG2-CD1 4.49Å |
| 95 | V | 97.9 | Very high | 85.7 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 138.3 | -179.8 | 62.5 | 0 | 0 | 0 | 0 | 111.5 | I69 I80 I97 A111 Y116 A118 A119 I120 | I69-V95 CarbonylContact O-C 3.46Å; I69-V95 VanDerWaalsContact O-CA 3.32Å; I69-V95 WeakPolarHBondContact O-CA 3.28Å; I80-V95 HydrophobicContact CD1-CG1 4.47Å; I80-V95 HydrophobicContact CD1-CG2 3.98Å; V95-I97 HydrophobicContact CG1-CD1 3.95Å; V95-I97 HydrophobicContact CG1-CG1 3.99Å; V95-I97 HydrophobicContact CG2-CG1 4Å; V95-A111 HydrophobicContact CG1-CB 3.5Å; V95-Y116 HydrophobicContact CB-CD1 3.68Å; V95-Y116 HydrophobicContact CB-CD2 4.12Å; V95-Y116 HydrophobicContact CB-CE1 3.88Å; V95-Y116 HydrophobicContact CB-CE2 4.32Å; V95-Y116 HydrophobicContact CB-CG 3.81Å; V95-Y116 HydrophobicContact CG1-CD1 4.29Å; V95-Y116 HydrophobicContact CG1-CD2 4.19Å; V95-Y116 HydrophobicContact CG1-CG 3.94Å; V95-Y116 HydrophobicContact CG2-CE1 4.46Å; V95-A118 PolarHBondContact N-O 2.88Å; V95-A118 VanDerWaalsContact N-O 3.12Å; V95-A119 HydrophobicContact CG1-CB 3.94Å; V95-I120 PolarHBondContact O-N 3.15Å |
| 96 | L | 98.3 | Very high | 86.7 | Confident | 5 Ų | 5 | 60.5 Ų | 60.5 | 3% | 0.026 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 119.9 | 170.9 | -175.3 | 56.9 | 0 | 0 | 0 | 110 | L68 I69 S71 I120 H122 I150 A155 K159 | L68-L96 HydrophobicContact CD1-CB 3.85Å; L68-L96 HydrophobicContact CD2-CD2 4.39Å; I69-L96 PolarHBondContact O-N 3.41Å; S71-L96 VanDerWaalsContact CB-O 3.28Å; S71-L96 WeakPolarHBondContact CB-O 3.38Å; S71-L96 PolarHBondContact N-O 3Å; L96-I120 CarbonylContact C-O 3.53Å; L96-I120 WeakPolarHBondContact CA-O 3.43Å; L96-I120 HydrophobicContact CD1-CB 3.96Å; L96-I120 HydrophobicContact CD1-CG2 3.62Å; L96-H122 HydrophobicContact CD1-CB 4.18Å; L96-I150 HydrophobicContact CD1-CD1 4.17Å; L96-A155 HydrophobicContact CD1-CB 4.41Å; L96-K159 HydrophobicContact CD2-CD 4.29Å; L96-K159 HydrophobicContact CD2-CG 3.66Å |
| 97 | I | 98.6 | Very high | 88.3 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 136.5 | -171.8 | -51.5 | 174.8 | 0 | 0 | 0 | 110 | E74 A76 V95 K107 A111 A119 I120 V121 H122 | E74-I97 WeakPolarHBondContact O-CG2 3.46Å; A76-I97 HydrophobicContact CB-CD1 3.93Å; A76-I97 HydrophobicContact CB-CG1 4.19Å; A76-I97 HydrophobicContact CB-CG2 3.56Å; V95-I97 HydrophobicContact CG1-CD1 3.95Å; V95-I97 HydrophobicContact CG1-CG1 3.99Å; V95-I97 HydrophobicContact CG2-CG1 4Å; I97-K107 HydrophobicContact CD1-CB 4.19Å; I97-K107 HydrophobicContact CG2-CB 4.19Å; I97-K107 HydrophobicContact CG2-CD 4.01Å; I97-K107 HydrophobicContact CG2-CG 4.22Å; I97-A111 HydrophobicContact CD1-CB 4.14Å; I97-A119 HydrophobicContact CD1-CB 4.01Å; I97-I120 PolarHBondContact N-O 2.96Å; I97-V121 HydrophobicContact CB-CG2 4.33Å; I97-V121 HydrophobicContact CD1-CG2 4.49Å; I97-V121 CarbonylContact O-C 3.58Å; I97-V121 WeakPolarHBondContact O-CA 3.4Å; I97-H122 PolarHBondContact O-CD2 3.44Å; I97-H122 VanDerWaalsContact O-CD2 3.26Å; I97-H122 PolarHBondContact O-N 3.08Å |
| 98 | R | 98.2 | Very high | 90.2 | Very high | 80 Ų | 80 | 49.3 Ų | 49.3 | 30% | 0.302 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 134.7 | 173.5 | -172.4 | 175 | 167.5 | 85.9 | 1.5 | 110.8 | E74 K107 V124 E152 | E74-R98 HydrophobicContact CB-CB 4.16Å; E74-R98 PolarHBondContact O-N 3.24Å; R98-K107 PolarHBondContact O-NZ 3.48Å; R98-V124 HydrophobicContact CG-CG2 3.67Å; R98-E152 IonicContact NH1-OE1 3.02Å |
| 99 | R | 96.5 | Very high | 92 | Very high | 71 Ų | 71 | 42.3 Ų | 42.3 | 27% | 0.268 | 24% | 0.239 | S | C | . | . | trans | -61.1 | 174.3 | 169.3 | 180 | 174.1 | 178.2 | -129.8 | -3.6 | 111.6 | F104 V121 H122 N123 V124 I130 | R99-F104 HydrophobicContact CG-CE1 4.13Å; R99-F104 HydrophobicContact CG-CZ 4.49Å; R99-V121 HydrophobicContact CB-CG1 4.43Å; R99-H122 WeakPolarHBondContact CB-O 3.28Å; R99-H122 PolarHBondContact N-O 3.09Å; R99-N123 WeakPolarHBondContact CD-OD1 3.49Å; R99-N123 PolarHBondContact NH1-OD1 3.38Å; R99-V124 HydrophobicContact CB-CG2 4.26Å; R99-I130 VanDerWaalsContact NH1-CD1 3.34Å | ||
| 100 | L | 94.4 | Very high | 93.9 | Very high | 82 Ų | 82 | 39.6 Ų | 39.6 | 43% | 0.429 | 22% | 0.219 | S | C | . | . | S | Bend | trans | 79 | 179.1 | -178.8 | -47.2 | 176.7 | 0 | 0 | 0 | 113.7 | C102 K107 V124 | L100-C102 PolarHBondContact O-N 3.35Å; L100-K107 VanDerWaalsContact O-CE 3.27Å; L100-K107 WeakPolarHBondContact O-CE 3.39Å; L100-K107 PolarHBondContact O-NZ 3.39Å; L100-V124 HydrophobicContact CD1-CB 4.22Å; L100-V124 HydrophobicContact CD1-CG1 3.95Å; L100-V124 HydrophobicContact CD1-CG2 4.48Å |
| 101 | D | 96.5 | Very high | 95.6 | Very high | 128 Ų | 128 | 33.1 Ų | 33.1 | 68% | 0.684 | 17% | 0.174 | S | C | * | . | S | Bend | trans | 63.4 | -34.1 | -177.3 | -47.8 | -33.9 | 0 | 0 | 0 | 117.3 | N75 | N75-D101 HydrophobicContact CB-CB 4.4Å; N75-D101 WeakPolarHBondContact CB-OD2 3.18Å; N75-D101 PolarHBondContact ND2-OD2 2.78Å |
| 102 | C | 95.6 | Very high | 96.5 | Very high | 33 Ų | 33 | 33.7 Ų | 33.7 | 22% | 0.223 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -154.5 | 168.7 | 178.4 | 61.4 | 0 | 0 | 0 | 0 | 112.5 | C77 L100 K107 | C77-C102 WeakPolarHBondContact CA-SG 3.29Å; C77-C102 HydrophobicContact CB-CB 3.77Å; C77-C102 WeakPolarHBondContact CB-SG 3.22Å; C77-C102 WeakPolarHBondContact SG-CB 3.12Å; C77-C102 CovalentContact SG-SG 2.03Å; C77-C102 PolarHBondContact SG-SG 3.35Å; L100-C102 PolarHBondContact O-N 3.35Å; C102-K107 WeakPolarHBondContact O-CE 3.43Å |
| 103 | N | 95.8 | Very high | 96.8 | Very high | 108 Ų | 108 | 41.3 Ų | 41.3 | 58% | 0.578 | 19% | 0.194 | S | C | * | . | trans | -66.3 | 155.3 | 179.2 | -64.8 | -2 | 0 | 0 | 0 | 113 | D105 I106 K107 | N103-D105 WeakPolarHBondContact CB-OD1 3.22Å; N103-D105 PolarHBondContact O-N 3.47Å; N103-I106 HydrophobicContact CB-CG1 4.48Å; N103-I106 PolarHBondContact O-N 3.16Å; N103-K107 WeakPolarHBondContact O-CG 3.46Å; N103-K107 PolarHBondContact O-N 2.77Å | ||
| 104 | F | 96.6 | Very high | 96.9 | Very high | 36 Ų | 36 | 41 Ų | 41 | 16% | 0.158 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.2 | -36.8 | -177 | -61.3 | -62.9 | 0 | 0 | 0 | 114.1 | F55 R99 K107 V108 V121 I130 M132 F149 | F55-F104 HydrophobicContact CE1-CB 4.38Å; F55-F104 HydrophobicContact CZ-CB 4.16Å; R99-F104 HydrophobicContact CG-CE1 4.13Å; R99-F104 HydrophobicContact CG-CZ 4.49Å; F104-K107 WeakPolarHBondContact O-CB 3.42Å; F104-K107 PolarHBondContact O-N 3.05Å; F104-V108 WeakPolarHBondContact O-CG2 3.43Å; F104-V108 PolarHBondContact O-N 3.34Å; F104-V108 VanDerWaalsContact O-N 3.08Å; F104-V121 HydrophobicContact CD1-CG1 4.06Å; F104-V121 HydrophobicContact CE1-CG1 4.11Å; F104-I130 HydrophobicContact CZ-CG2 4.49Å; F104-M132 HydrophobicContact CB-CB 4.11Å; F104-M132 HydrophobicContact CB-CG 4.06Å; F104-M132 HydrophobicContact CB-SD 3.85Å; F104-M132 HydrophobicContact CD1-CG 3.69Å; F104-M132 HydrophobicContact CD1-SD 3.49Å; F104-M132 WeakPolarHBondContact CD1-SD 3.41Å; F104-M132 HydrophobicContact CD2-CB 4.13Å; F104-M132 HydrophobicContact CD2-CG 3.91Å; F104-M132 HydrophobicContact CE1-CG 4Å; F104-M132 HydrophobicContact CE1-SD 4.14Å; F104-M132 HydrophobicContact CE2-CG 4.19Å; F104-M132 HydrophobicContact CG-CB 4.05Å; F104-M132 HydrophobicContact CG-CG 3.63Å; F104-M132 HydrophobicContact CG-SD 3.78Å; F104-M132 HydrophobicContact CZ-CG 4.23Å; F104-F149 HydrophobicContact CE1-CD2 4.18Å; F104-F149 AromaticContact CE1-CE2 3.83Å; F104-F149 HydrophobicContact CE1-CE2 3.83Å; F104-F149 HydrophobicContact CZ-CE2 4.16Å |
| 105 | D | 95.4 | Very high | 96.8 | Very high | 4 Ų | 4 | 43 Ų | 43 | 2% | 0.021 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64 | -43.2 | 177.9 | 59.3 | -18.8 | 0 | 0 | 0 | 112.3 | N103 K107 V108 L109 S134 V139 L140 I143 | N103-D105 WeakPolarHBondContact CB-OD1 3.22Å; N103-D105 PolarHBondContact O-N 3.47Å; D105-K107 VanDerWaalsContact C-N 3.33Å; D105-K107 PolarHBondContact O-N 3.19Å; D105-V108 PolarHBondContact O-N 3.45Å; D105-L109 WeakPolarHBondContact O-CB 3.34Å; D105-L109 PolarHBondContact O-N 3.32Å; D105-S134 WeakPolarHBondContact OD2-CB 3.03Å; D105-S134 PolarHBondContact OD2-OG 3.36Å; D105-V139 HydrophobicContact CB-CG1 3.8Å; D105-V139 WeakPolarHBondContact OD2-CG1 3.41Å; D105-L140 HydrophobicContact CB-CD2 4.23Å; D105-I143 HydrophobicContact CB-CD1 3.84Å; D105-I143 WeakPolarHBondContact O-CD1 3.49Å |
| 106 | I | 95.8 | Very high | 96.7 | Very high | 58 Ų | 58 | 43.4 Ų | 43.4 | 30% | 0.297 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -60.4 | -43.1 | 174.8 | -58.5 | -56.3 | 0 | 0 | 0 | 111.2 | N103 L109 N110 | N103-I106 HydrophobicContact CB-CG1 4.48Å; N103-I106 PolarHBondContact O-N 3.16Å; I106-L109 PolarHBondContact O-N 2.96Å; I106-N110 WeakPolarHBondContact O-CB 3.43Å; I106-N110 PolarHBondContact O-N 2.89Å; I106-N110 PolarHBondContact O-ND2 2.89Å |
| 107 | K | 97.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59 | -51.9 | 177.4 | -65.7 | 176 | -176.1 | -77.1 | 0 | 111.8 | N75 A76 I97 R98 L100 C102 N103 F104 D105 N110 A111 V121 | N75-K107 WeakPolarHBondContact O-CG 3.4Å; N75-K107 PolarHBondContact O-NZ 3.28Å; A76-K107 HydrophobicContact CB-CB 4.3Å; I97-K107 HydrophobicContact CD1-CB 4.19Å; I97-K107 HydrophobicContact CG2-CB 4.19Å; I97-K107 HydrophobicContact CG2-CD 4.01Å; I97-K107 HydrophobicContact CG2-CG 4.22Å; R98-K107 PolarHBondContact O-NZ 3.48Å; L100-K107 VanDerWaalsContact O-CE 3.27Å; L100-K107 WeakPolarHBondContact O-CE 3.39Å; L100-K107 PolarHBondContact O-NZ 3.39Å; C102-K107 WeakPolarHBondContact O-CE 3.43Å; N103-K107 WeakPolarHBondContact O-CG 3.46Å; N103-K107 PolarHBondContact O-N 2.77Å; F104-K107 WeakPolarHBondContact O-CB 3.42Å; F104-K107 PolarHBondContact O-N 3.05Å; D105-K107 VanDerWaalsContact C-N 3.33Å; D105-K107 PolarHBondContact O-N 3.19Å; K107-N110 PolarHBondContact O-N 2.87Å; K107-A111 PolarHBondContact O-N 2.81Å; K107-V121 HydrophobicContact CD-CG1 4.37Å |
| 108 | V | 97.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -71.4 | -35.6 | -177.3 | -179.2 | 0 | 0 | 0 | 0 | 111.2 | F55 F104 D105 A111 Q112 A119 V121 I143 I145 | F55-V108 HydrophobicContact CE2-CB 4Å; F55-V108 HydrophobicContact CE2-CG1 4.15Å; F55-V108 HydrophobicContact CE2-CG2 3.96Å; F55-V108 HydrophobicContact CZ-CG2 4.25Å; F104-V108 WeakPolarHBondContact O-CG2 3.43Å; F104-V108 PolarHBondContact O-N 3.34Å; F104-V108 VanDerWaalsContact O-N 3.08Å; D105-V108 PolarHBondContact O-N 3.45Å; V108-A111 WeakPolarHBondContact O-CB 3.15Å; V108-A111 PolarHBondContact O-N 2.72Å; V108-Q112 WeakPolarHBondContact O-CB 3.32Å; V108-Q112 PolarHBondContact O-N 2.7Å; V108-A119 HydrophobicContact CB-CB 4.48Å; V108-A119 HydrophobicContact CG1-CB 4.18Å; V108-A119 HydrophobicContact CG2-CB 4Å; V108-V121 HydrophobicContact CG2-CG2 4.33Å; V108-I143 HydrophobicContact CB-CG2 4.49Å; V108-I143 HydrophobicContact CG1-CG2 3.65Å; V108-I145 HydrophobicContact CG1-CD1 3.83Å; V108-I145 HydrophobicContact CG1-CG1 3.66Å |
| 109 | L | 96.8 | Very high | 96.4 | Very high | 13 Ų | 13 | 45.5 Ų | 45.5 | 7% | 0.068 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.5 | -40.5 | 173.8 | -177.7 | 63.6 | 0 | 0 | 0 | 112.2 | D105 I106 Q112 R113 V139 K142 I143 | D105-L109 WeakPolarHBondContact O-CB 3.34Å; D105-L109 PolarHBondContact O-N 3.32Å; I106-L109 PolarHBondContact O-N 2.96Å; L109-Q112 PolarHBondContact O-N 2.03Å; L109-R113 WeakPolarHBondContact O-CB 3.48Å; L109-R113 WeakPolarHBondContact O-CD 3.26Å; L109-R113 WeakPolarHBondContact O-CG 3.21Å; L109-R113 PolarHBondContact O-N 2.76Å; L109-V139 HydrophobicContact CD2-CG1 4.23Å; L109-K142 HydrophobicContact CD1-CB 4.29Å; L109-K142 WeakPolarHBondContact CD1-O 3.39Å; L109-I143 HydrophobicContact CB-CD1 4.44Å; L109-I143 HydrophobicContact CB-CG1 4.21Å; L109-I143 HydrophobicContact CD1-CG1 4.35Å |
| 110 | N | 97.8 | Very high | 96.5 | Very high | 8 Ų | 8 | 42.1 Ų | 42.1 | 4% | 0.043 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -68.3 | -35.4 | 174.9 | -74.7 | -19.1 | 0 | 0 | 0 | 112 | A76 C77 E78 I106 K107 R113 A114 | A76-N110 WeakPolarHBondContact O-CB 3.45Å; A76-N110 PolarHBondContact O-ND2 2.9Å; C77-N110 PolarHBondContact O-ND2 3.03Å; C77-N110 VanDerWaalsContact O-ND2 3.16Å; E78-N110 PolarHBondContact O-ND2 2.83Å; I106-N110 WeakPolarHBondContact O-CB 3.43Å; I106-N110 PolarHBondContact O-N 2.89Å; I106-N110 PolarHBondContact O-ND2 2.89Å; K107-N110 PolarHBondContact O-N 2.87Å; N110-R113 PolarHBondContact O-N 2.84Å; N110-R113 PolarHBondContact OD1-NH1 2.84Å; N110-A114 WeakPolarHBondContact O-CB 3.2Å; N110-A114 PolarHBondContact O-N 3.23Å |
| 111 | A | 97.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.4 | -45.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | I80 V95 I97 K107 V108 A114 G115 Y116 A119 I145 | I80-A111 HydrophobicContact CD1-CB 4.21Å; V95-A111 HydrophobicContact CG1-CB 3.5Å; I97-A111 HydrophobicContact CD1-CB 4.14Å; K107-A111 PolarHBondContact O-N 2.81Å; V108-A111 WeakPolarHBondContact O-CB 3.15Å; V108-A111 PolarHBondContact O-N 2.72Å; A111-A114 PolarHBondContact O-N 3.07Å; A111-G115 PolarHBondContact O-N 3.45Å; A111-Y116 WeakPolarHBondContact O-CD2 3.39Å; A111-Y116 PolarHBondContact O-N 3.45Å; A111-A119 HydrophobicContact CB-CB 4.19Å; A111-I145 HydrophobicContact CB-CD1 4.25Å |
| 112 | Q | 97.3 | Very high | 96.8 | Very high | 44 Ų | 44 | 32.3 Ų | 32.3 | 21% | 0.206 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61 | -44.6 | 175.9 | -178.6 | 168.7 | -44 | 0 | 0 | 111.8 | V108 L109 A114 G115 K142 D144 I145 | V108-Q112 WeakPolarHBondContact O-CB 3.32Å; V108-Q112 PolarHBondContact O-N 2.7Å; L109-Q112 PolarHBondContact O-N 2.03Å; Q112-A114 VanDerWaalsContact C-N 3.27Å; Q112-A114 PolarHBondContact O-N 3.4Å; Q112-G115 PolarHBondContact O-N 3.14Å; Q112-K142 PolarHBondContact NE2-O 3.01Å; Q112-D144 PolarHBondContact NE2-OD2 3.22Å; Q112-I145 HydrophobicContact CB-CD1 3.92Å; Q112-I145 HydrophobicContact CB-CG1 4.14Å; Q112-I145 HydrophobicContact CB-CG2 4.32Å; Q112-I145 HydrophobicContact CG-CG2 4.06Å; Q112-I145 VanDerWaalsContact OE1-N 3.11Å |
| 113 | R | 97.1 | Very high | 96.9 | Very high | 176 Ų | 176 | 30.7 Ų | 30.7 | 66% | 0.664 | 15% | 0.153 | S | C | * | . | H | α-helix | trans | -61.3 | -33.1 | 175.2 | -74.7 | 165.1 | 171.3 | 170.5 | -4.8 | 113.2 | L109 N110 G115 | L109-R113 WeakPolarHBondContact O-CB 3.48Å; L109-R113 WeakPolarHBondContact O-CD 3.26Å; L109-R113 WeakPolarHBondContact O-CG 3.21Å; L109-R113 PolarHBondContact O-N 2.76Å; N110-R113 PolarHBondContact O-N 2.84Å; N110-R113 PolarHBondContact OD1-NH1 2.84Å; R113-G115 PolarHBondContact O-N 3Å |
| 114 | A | 96.8 | Very high | 96.9 | Very high | 16 Ų | 16 | 26.1 Ų | 26.1 | 13% | 0.132 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -3.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | I80 P82 P83 N110 A111 Q112 Y116 | I80-A114 HydrophobicContact CD1-CB 4.27Å; I80-A114 HydrophobicContact CG1-CB 3.48Å; I80-A114 VanDerWaalsContact CG1-CB 3.48Å; P82-A114 WeakPolarHBondContact CA-O 3.23Å; P82-A114 VanDerWaalsContact CB-O 3.3Å; P82-A114 WeakPolarHBondContact CB-O 3.41Å; P83-A114 WeakPolarHBondContact CD-O 3.32Å; N110-A114 WeakPolarHBondContact O-CB 3.2Å; N110-A114 PolarHBondContact O-N 3.23Å; A111-A114 PolarHBondContact O-N 3.07Å; Q112-A114 VanDerWaalsContact C-N 3.27Å; Q112-A114 PolarHBondContact O-N 3.4Å; A114-Y116 HydrophobicContact CB-CD2 3.93Å; A114-Y116 HydrophobicContact CB-CE2 3.9Å |
| 115 | G | 95.4 | Very high | 96.8 | Very high | 42 Ų | 42 | 31.3 Ų | 31.3 | 43% | 0.433 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 91.9 | 8.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | A111 Q112 R113 | A111-G115 PolarHBondContact O-N 3.45Å; Q112-G115 PolarHBondContact O-N 3.14Å; R113-G115 PolarHBondContact O-N 3Å |
| 116 | Y | 96.1 | Very high | 96.9 | Very high | 8 Ų | 8 | 32.5 Ų | 32.5 | 3% | 0.031 | 17% | 0.167 | C | C | . | . | trans | -67 | 156.8 | 171.4 | -65.7 | -85.9 | 0 | 0 | 0 | 111.2 | I69 I80 V81 P83 F93 V95 A111 A114 | I69-Y116 HydrophobicContact CB-CE1 4.18Å; I69-Y116 HydrophobicContact CD1-CE1 4.41Å; I69-Y116 HydrophobicContact CG2-CE1 4.34Å; I80-Y116 HydrophobicContact CD1-CD2 3.95Å; I80-Y116 HydrophobicContact CD1-CE2 3.64Å; I80-Y116 HydrophobicContact CG1-CE2 4.09Å; V81-Y116 WeakPolarHBondContact O-CE2 3.44Å; V81-Y116 PolarHBondContact O-OH 3.14Å; P83-Y116 HydrophobicContact CB-CD1 4.2Å; P83-Y116 HydrophobicContact CB-CE1 3.73Å; P83-Y116 HydrophobicContact CG-CD1 4.36Å; P83-Y116 HydrophobicContact CG-CE1 4.23Å; F93-Y116 HydrophobicContact CB-CD1 3.88Å; F93-Y116 HydrophobicContact CB-CE1 4.23Å; V95-Y116 HydrophobicContact CB-CD1 3.68Å; V95-Y116 HydrophobicContact CB-CD2 4.12Å; V95-Y116 HydrophobicContact CB-CE1 3.88Å; V95-Y116 HydrophobicContact CB-CE2 4.32Å; V95-Y116 HydrophobicContact CB-CG 3.81Å; V95-Y116 HydrophobicContact CG1-CD1 4.29Å; V95-Y116 HydrophobicContact CG1-CD2 4.19Å; V95-Y116 HydrophobicContact CG1-CG 3.94Å; V95-Y116 HydrophobicContact CG2-CE1 4.46Å; A111-Y116 WeakPolarHBondContact O-CD2 3.39Å; A111-Y116 PolarHBondContact O-N 3.45Å; A114-Y116 HydrophobicContact CB-CD2 3.93Å; A114-Y116 HydrophobicContact CB-CE2 3.9Å | ||
| 117 | K | 94.5 | Very high | 96.9 | Very high | 128 Ų | 128 | 33.8 Ų | 33.8 | 56% | 0.557 | 17% | 0.174 | S | C | * | . | S | Bend | trans | -105.2 | -15.4 | -176.7 | -66.5 | -59.4 | -174.9 | -176.8 | 0 | 114.2 | A92 F93 P146 | A92-K117 HydrophobicContact CB-CB 3.88Å; A92-K117 HydrophobicContact CB-CG 4.11Å; F93-K117 PolarHBondContact O-N 2.86Å; K117-P146 WeakPolarHBondContact O-CD 3.35Å |
| 118 | A | 96.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 162.8 | 165.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | L64 I94 V95 P146 L172 | L64-A118 HydrophobicContact CD2-CB 3.76Å; I94-A118 WeakPolarHBondContact CA-O 3.39Å; I94-A118 HydrophobicContact CG1-CB 4.2Å; I94-A118 HydrophobicContact CG2-CB 4.12Å; V95-A118 PolarHBondContact N-O 2.88Å; V95-A118 VanDerWaalsContact N-O 3.12Å; A118-P146 VanDerWaalsContact CA-O 3.24Å; A118-P146 WeakPolarHBondContact CA-O 3.41Å; A118-P146 HydrophobicContact CB-CG 4.08Å; A118-P146 WeakPolarHBondContact CB-O 3.31Å; A118-L172 HydrophobicContact CB-CD1 3.69Å |
| 119 | A | 97.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 125.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111 | V95 I97 V108 A111 I145 P146 S147 V148 | V95-A119 HydrophobicContact CG1-CB 3.94Å; I97-A119 HydrophobicContact CD1-CB 4.01Å; V108-A119 HydrophobicContact CB-CB 4.48Å; V108-A119 HydrophobicContact CG1-CB 4.18Å; V108-A119 HydrophobicContact CG2-CB 4Å; A111-A119 HydrophobicContact CB-CB 4.19Å; A119-I145 HydrophobicContact CB-CD1 4.23Å; A119-P146 PolarHBondContact N-O 2.89Å; A119-S147 CarbonylContact O-C 3.58Å; A119-S147 WeakPolarHBondContact O-CA 3.49Å; A119-S147 WeakPolarHBondContact O-CB 3.37Å; A119-V148 PolarHBondContact O-N 3.26Å |
| 120 | I | 98 | Very high | 96.5 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 119.1 | 169.2 | -59 | 168.8 | 0 | 0 | 0 | 106.5 | I36 L68 I94 V95 L96 I97 V148 I150 L170 L172 | I36-I120 HydrophobicContact CD1-CD1 4.08Å; I36-I120 HydrophobicContact CD1-CG1 4.44Å; L68-I120 HydrophobicContact CD1-CD1 3.94Å; I94-I120 HydrophobicContact CG2-CD1 3.68Å; I94-I120 HydrophobicContact CG2-CG1 3.75Å; V95-I120 PolarHBondContact O-N 3.15Å; L96-I120 CarbonylContact C-O 3.53Å; L96-I120 WeakPolarHBondContact CA-O 3.43Å; L96-I120 HydrophobicContact CD1-CB 3.96Å; L96-I120 HydrophobicContact CD1-CG2 3.62Å; I97-I120 PolarHBondContact N-O 2.96Å; I120-V148 WeakPolarHBondContact CA-O 3.25Å; I120-V148 HydrophobicContact CB-CG2 4.25Å; I120-V148 HydrophobicContact CG1-CG2 3.71Å; I120-V148 HydrophobicContact CG2-CG2 4.31Å; I120-I150 HydrophobicContact CG2-CD1 3.52Å; I120-I150 HydrophobicContact CG2-CG1 3.67Å; I120-I150 HydrophobicContact CG2-CG2 4.15Å; I120-L170 HydrophobicContact CD1-CD1 3.54Å; I120-L172 HydrophobicContact CD1-CD2 4.3Å; I120-L172 HydrophobicContact CG1-CD2 4.44Å |
| 121 | V | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 125.5 | 172.1 | -175.4 | 0 | 0 | 0 | 0 | 108.5 | I97 R99 F104 K107 V108 M132 V148 F149 I150 | I97-V121 HydrophobicContact CB-CG2 4.33Å; I97-V121 HydrophobicContact CD1-CG2 4.49Å; I97-V121 CarbonylContact O-C 3.58Å; I97-V121 WeakPolarHBondContact O-CA 3.4Å; R99-V121 HydrophobicContact CB-CG1 4.43Å; F104-V121 HydrophobicContact CD1-CG1 4.06Å; F104-V121 HydrophobicContact CE1-CG1 4.11Å; K107-V121 HydrophobicContact CD-CG1 4.37Å; V108-V121 HydrophobicContact CG2-CG2 4.33Å; V121-M132 HydrophobicContact CB-CE 4.1Å; V121-M132 HydrophobicContact CB-SD 3.61Å; V121-M132 HydrophobicContact CG1-SD 4.24Å; V121-M132 HydrophobicContact CG2-CE 3.99Å; V121-M132 HydrophobicContact CG2-SD 3.54Å; V121-M132 VanDerWaalsContact CG2-SD 3.54Å; V121-V148 PolarHBondContact N-O 3.03Å; V121-F149 HydrophobicContact CB-CD2 4.12Å; V121-F149 HydrophobicContact CG1-CD2 4.19Å; V121-F149 HydrophobicContact CG1-CE2 4.16Å; V121-F149 VanDerWaalsContact O-CA 3.28Å; V121-F149 WeakPolarHBondContact O-CA 3Å; V121-F149 WeakPolarHBondContact O-CD2 3.23Å; V121-I150 PolarHBondContact O-N 3.3Å |
| 122 | H | 98.3 | Very high | 96 | Very high | 4 Ų | 4 | 47 Ų | 47 | 2% | 0.019 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 146 | 179.2 | 76.2 | 84.1 | 0 | 0 | 0 | 113.2 | L96 I97 R99 I150 A155 K159 | L96-H122 HydrophobicContact CD1-CB 4.18Å; I97-H122 PolarHBondContact O-CD2 3.44Å; I97-H122 VanDerWaalsContact O-CD2 3.26Å; I97-H122 PolarHBondContact O-N 3.08Å; R99-H122 WeakPolarHBondContact CB-O 3.28Å; R99-H122 PolarHBondContact N-O 3.09Å; H122-I150 CarbonylContact C-O 3.45Å; H122-I150 WeakPolarHBondContact CA-O 3.19Å; H122-I150 HydrophobicContact CB-CD1 4.21Å; H122-I150 HydrophobicContact CB-CG1 3.72Å; H122-A155 HydrophobicContact CB-CB 3.26Å; H122-A155 VanDerWaalsContact CG-CB 3.46Å; H122-K159 PolarHBondContact CE1-NZ 2.86Å; H122-K159 VanDerWaalsContact CE1-NZ 3.32Å; H122-K159 PolarHBondContact NE2-NZ 3.18Å |
| 123 | N | 97.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -67.7 | 170.8 | 172.6 | -155.4 | 1.7 | 0 | 0 | 0 | 112 | R99 S126 D128 F149 I150 | R99-N123 WeakPolarHBondContact CD-OD1 3.49Å; R99-N123 PolarHBondContact NH1-OD1 3.38Å; N123-S126 WeakPolarHBondContact CB-O 3.31Å; N123-S126 PolarHBondContact ND2-O 3.29Å; N123-S126 PolarHBondContact ND2-OG 2.87Å; N123-D128 PolarHBondContact ND2-O 3.42Å; N123-F149 HydrophobicContact CB-CE1 3.72Å; N123-F149 HydrophobicContact CB-CZ 3.52Å; N123-I150 PolarHBondContact N-O 2.85Å |
| 124 | V | 96.6 | Very high | 95.2 | Very high | 12 Ų | 12 | 39.1 Ų | 39.1 | 7% | 0.073 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -137.7 | 131.2 | -174.8 | 170.1 | 0 | 0 | 0 | 0 | 108.2 | R98 R99 L100 S126 E152 | R98-V124 HydrophobicContact CG-CG2 3.67Å; R99-V124 HydrophobicContact CB-CG2 4.26Å; L100-V124 HydrophobicContact CD1-CB 4.22Å; L100-V124 HydrophobicContact CD1-CG1 3.95Å; L100-V124 HydrophobicContact CD1-CG2 4.48Å; V124-S126 PolarHBondContact O-N 2.85Å; V124-S126 VanDerWaalsContact O-N 3.14Å; V124-E152 WeakPolarHBondContact CA-OE1 3.35Å |
| 125 | D | 94.8 | Very high | 94.7 | Very high | 144 Ų | 144 | 46.3 Ų | 46.3 | 77% | 0.77 | 27% | 0.266 | S | S | * | . | S | Bend | trans | 55.7 | 21 | -176.9 | -54 | -60.8 | 0 | 0 | 0 | 114.3 | E152 | D125-E152 VanDerWaalsContact CA-OE2 3.31Å; D125-E152 WeakPolarHBondContact CA-OE2 3.41Å; D125-E152 VanDerWaalsContact N-CD 3.3Å; D125-E152 PolarHBondContact N-OE1 2.91Å; D125-E152 PolarHBondContact N-OE2 3.42Å |
| 126 | S | 96.7 | Very high | 94.4 | Very high | 30 Ų | 30 | 47.9 Ų | 47.9 | 21% | 0.21 | 26% | 0.264 | C | S | . | . | trans | -165.1 | 150.5 | -176 | 152.6 | 0 | 0 | 0 | 0 | 111.2 | N123 V124 D128 E152 | N123-S126 WeakPolarHBondContact CB-O 3.31Å; N123-S126 PolarHBondContact ND2-O 3.29Å; N123-S126 PolarHBondContact ND2-OG 2.87Å; V124-S126 PolarHBondContact O-N 2.85Å; V124-S126 VanDerWaalsContact O-N 3.14Å; S126-D128 WeakPolarHBondContact OG-CB 3.36Å; S126-D128 PolarHBondContact OG-N 3.39Å; S126-D128 PolarHBondContact OG-OD2 2.74Å; S126-E152 WeakPolarHBondContact O-CB 3.15Å; S126-E152 PolarHBondContact O-N 3.17Å | ||
| 127 | D | 96.4 | Very high | 94.1 | Very high | 85 Ų | 85 | 53.2 Ų | 53.2 | 46% | 0.455 | 29% | 0.292 | S | S | . | . | trans | -101.7 | 1.7 | 172.9 | -76.3 | -24.1 | 0 | 0 | 0 | 113.7 | L129 E152 S153 | D127-L129 PolarHBondContact O-N 2.8Å; D127-E152 PolarHBondContact OD1-N 2.88Å; D127-S153 PolarHBondContact OD1-N 3.43Å; D127-S153 PolarHBondContact OD1-OG 2.92Å; D127-S153 VanDerWaalsContact OD1-OG 3.07Å; D127-S153 VanDerWaalsContact OD2-CB 3.29Å; D127-S153 WeakPolarHBondContact OD2-CB 3.28Å; D127-S153 PolarHBondContact OD2-OG 2.79Å | ||
| 128 | D | 95.7 | Very high | 93.8 | Very high | 115 Ų | 115 | 53.4 Ų | 53.4 | 62% | 0.615 | 30% | 0.295 | S | S | * | . | trans | -63.9 | 132.4 | -179.6 | -55.6 | -69.6 | 0 | 0 | 0 | 110.9 | N123 S126 F149 | N123-D128 PolarHBondContact ND2-O 3.42Å; S126-D128 WeakPolarHBondContact OG-CB 3.36Å; S126-D128 PolarHBondContact OG-N 3.39Å; S126-D128 PolarHBondContact OG-OD2 2.74Å; D128-F149 WeakPolarHBondContact O-CE1 3.45Å | ||
| 129 | L | 94.4 | Very high | 93.4 | Very high | 72 Ų | 72 | 54.4 Ų | 54.4 | 38% | 0.377 | 30% | 0.301 | S | S | . | . | trans | -81.4 | 133 | 176.3 | -58.5 | -178.4 | 0 | 0 | 0 | 111 | D49 L51 D127 F149 | D49-L129 HydrophobicContact CB-CD1 4.28Å; L51-L129 HydrophobicContact CB-CB 4.06Å; L51-L129 HydrophobicContact CB-CD1 4.33Å; L51-L129 HydrophobicContact CD2-CB 4.21Å; D127-L129 PolarHBondContact O-N 2.8Å; L129-F149 HydrophobicContact CD2-CD1 4.35Å | ||
| 130 | I | 93.6 | Very high | 93 | Very high | 51 Ų | 51 | 56.3 Ų | 56.3 | 26% | 0.262 | 31% | 0.311 | S | S | . | . | trans | -127.9 | 121 | -170.6 | -61 | 174.4 | 0 | 0 | 0 | 110.5 | R99 F104 M132 F149 | R99-I130 VanDerWaalsContact NH1-CD1 3.34Å; F104-I130 HydrophobicContact CZ-CG2 4.49Å; I130-M132 PolarHBondContact O-N 2.86Å; I130-F149 HydrophobicContact CB-CD1 4.22Å; I130-F149 HydrophobicContact CB-CE1 3.81Å; I130-F149 HydrophobicContact CB-CZ 3.97Å; I130-F149 HydrophobicContact CD1-CE1 4.45Å; I130-F149 HydrophobicContact CD1-CZ 4.27Å; I130-F149 HydrophobicContact CG1-CE1 4.08Å; I130-F149 HydrophobicContact CG1-CZ 4.31Å; I130-F149 WeakPolarHBondContact O-CG 3.18Å | ||
| 131 | S | 93.1 | Very high | 92.6 | Very high | 61 Ų | 61 | 64.3 Ų | 64.3 | 43% | 0.427 | 35% | 0.346 | S | S | . | . | trans | -56.2 | 106.2 | 179.6 | 149.8 | 0 | 0 | 0 | 0 | 111.6 | R54 G133 | R54-S131 VanDerWaalsContact CD-OG 3.27Å; R54-S131 WeakPolarHBondContact CD-OG 3.4Å; S131-G133 PolarHBondContact O-N 2.91Å | ||
| 132 | M | 92.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 37% | 0.366 | C | S | . | . | trans | -70.5 | 129.7 | 172.1 | -67.4 | -161.7 | -73.5 | 0 | 0 | 111.3 | A53 R54 F55 F104 V121 I130 V148 F149 | A53-M132 HydrophobicContact CB-CB 4.09Å; A53-M132 HydrophobicContact CB-CE 4.14Å; R54-M132 WeakPolarHBondContact CB-O 3.27Å; R54-M132 PolarHBondContact N-O 3.48Å; F55-M132 HydrophobicContact CE1-CB 4.05Å; F55-M132 HydrophobicContact CZ-CB 4.22Å; F104-M132 HydrophobicContact CB-CB 4.11Å; F104-M132 HydrophobicContact CB-CG 4.06Å; F104-M132 HydrophobicContact CB-SD 3.85Å; F104-M132 HydrophobicContact CD1-CG 3.69Å; F104-M132 HydrophobicContact CD1-SD 3.49Å; F104-M132 WeakPolarHBondContact CD1-SD 3.41Å; F104-M132 HydrophobicContact CD2-CB 4.13Å; F104-M132 HydrophobicContact CD2-CG 3.91Å; F104-M132 HydrophobicContact CE1-CG 4Å; F104-M132 HydrophobicContact CE1-SD 4.14Å; F104-M132 HydrophobicContact CE2-CG 4.19Å; F104-M132 HydrophobicContact CG-CB 4.05Å; F104-M132 HydrophobicContact CG-CG 3.63Å; F104-M132 HydrophobicContact CG-SD 3.78Å; F104-M132 HydrophobicContact CZ-CG 4.23Å; V121-M132 HydrophobicContact CB-CE 4.1Å; V121-M132 HydrophobicContact CB-SD 3.61Å; V121-M132 HydrophobicContact CG1-SD 4.24Å; V121-M132 HydrophobicContact CG2-CE 3.99Å; V121-M132 HydrophobicContact CG2-SD 3.54Å; V121-M132 VanDerWaalsContact CG2-SD 3.54Å; I130-M132 PolarHBondContact O-N 2.86Å; M132-V148 VanDerWaalsContact CE-C 3.42Å; M132-V148 VanDerWaalsContact CE-O 3.31Å; M132-V148 WeakPolarHBondContact CE-O 3.29Å; M132-F149 HydrophobicContact CE-CB 4.03Å; M132-F149 HydrophobicContact CG-CB 4.14Å; M132-F149 HydrophobicContact CG-CD2 3.83Å; M132-F149 HydrophobicContact CG-CG 4.35Å; M132-F149 HydrophobicContact SD-CB 4.47Å; M132-F149 HydrophobicContact SD-CD2 3.99Å | ||
| 133 | G | 89.5 | Confident | 92.2 | Very high | 28 Ų | 28 | 69.1 Ų | 69.1 | 29% | 0.289 | 37% | 0.367 | S | S | . | . | trans | -157.6 | 174.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | S131 | S131-G133 PolarHBondContact O-N 2.91Š| ||
| 134 | S | 87.1 | Confident | 92 | Very high | 26 Ų | 26 | 74 Ų | 74 | 18% | 0.182 | 39% | 0.393 | C | S | . | . | trans | -141.1 | 160.8 | 168.7 | -171.8 | 0 | 0 | 0 | 0 | 110.7 | D105 D136 | D105-S134 WeakPolarHBondContact OD2-CB 3.03Å; D105-S134 PolarHBondContact OD2-OG 3.36Å; S134-D136 PolarHBondContact OG-N 2.87Å | ||
| 135 | N | 85.7 | Confident | 92 | Very high | 166 Ų | 166 | 74.1 Ų | 74.1 | 89% | 0.888 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -90.5 | -14 | 171.8 | -60.1 | -23.4 | 0 | 0 | 0 | 111.7 | I137 | N135-I137 PolarHBondContact O-N 3.36Š|
| 136 | D | 90 | Very high | 92 | Very high | 75 Ų | 75 | 68.1 Ų | 68.1 | 40% | 0.401 | 36% | 0.362 | S | S | . | . | trans | -90.6 | 97.7 | -179.8 | -171 | -34.6 | 0 | 0 | 0 | 111.2 | S134 E138 V139 L140 | S134-D136 PolarHBondContact OG-N 2.87Å; D136-E138 PolarHBondContact O-N 2.91Å; D136-E138 WeakPolarHBondContact OD1-CA 3.38Å; D136-E138 VanDerWaalsContact OD1-CB 3.3Å; D136-E138 WeakPolarHBondContact OD1-CB 3.02Å; D136-E138 PolarHBondContact OD1-N 3.47Å; D136-V139 HydrophobicContact CB-CB 4.07Å; D136-V139 HydrophobicContact CB-CG2 4.06Å; D136-V139 VanDerWaalsContact CG-CG2 3.46Å; D136-V139 PolarHBondContact O-N 3Å; D136-V139 PolarHBondContact OD1-N 2.82Å; D136-V139 WeakPolarHBondContact OD2-CG2 3.4Å; D136-L140 WeakPolarHBondContact O-CG 3.1Å; D136-L140 PolarHBondContact O-N 3.04Å | ||
| 137 | I | 88.8 | Confident | 91.9 | Very high | 121 Ų | 121 | 66.9 Ų | 66.9 | 62% | 0.621 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -62.8 | -28.2 | -179.8 | -60.6 | 172.2 | 0 | 0 | 0 | 111.9 | N135 K141 | N135-I137 PolarHBondContact O-N 3.36Å; I137-K141 HydrophobicContact CG2-CD 4.43Å; I137-K141 VanDerWaalsContact O-CG 3.32Å; I137-K141 WeakPolarHBondContact O-CG 3.37Å; I137-K141 PolarHBondContact O-N 2.95Å |
| 138 | E | 89.1 | Confident | 91.9 | Very high | 132 Ų | 132 | 62.9 Ų | 62.9 | 62% | 0.617 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -74.9 | -35.2 | 177.4 | -82.4 | -156.9 | -147.7 | 0 | 0 | 112.7 | D136 K142 | D136-E138 PolarHBondContact O-N 2.91Å; D136-E138 WeakPolarHBondContact OD1-CA 3.38Å; D136-E138 VanDerWaalsContact OD1-CB 3.3Å; D136-E138 WeakPolarHBondContact OD1-CB 3.02Å; D136-E138 PolarHBondContact OD1-N 3.47Å; E138-K142 WeakPolarHBondContact O-CD 3.1Å; E138-K142 WeakPolarHBondContact O-CE 3.32Å; E138-K142 VanDerWaalsContact O-CG 3.32Å; E138-K142 WeakPolarHBondContact O-CG 3.06Å; E138-K142 PolarHBondContact O-NZ 3.22Å; E138-K142 IonicContact OE2-NZ 3.7Å; E138-K142 PolarHBondContact OE2-NZ 3.22Å; E138-K142 VanDerWaalsContact OE2-NZ 3.1Å |
| 139 | V | 87.8 | Confident | 91.9 | Very high | 20 Ų | 20 | 57.4 Ų | 57.4 | 12% | 0.121 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -70.5 | -43.1 | 173.1 | 175.3 | 0 | 0 | 0 | 0 | 110.1 | D105 L109 D136 K141 K142 I143 | D105-V139 HydrophobicContact CB-CG1 3.8Å; D105-V139 WeakPolarHBondContact OD2-CG1 3.41Å; L109-V139 HydrophobicContact CD2-CG1 4.23Å; D136-V139 HydrophobicContact CB-CB 4.07Å; D136-V139 HydrophobicContact CB-CG2 4.06Å; D136-V139 VanDerWaalsContact CG-CG2 3.46Å; D136-V139 PolarHBondContact O-N 3Å; D136-V139 PolarHBondContact OD1-N 2.82Å; D136-V139 WeakPolarHBondContact OD2-CG2 3.4Å; V139-K141 VanDerWaalsContact C-N 3.29Å; V139-K141 PolarHBondContact O-N 2.84Å; V139-K142 WeakPolarHBondContact O-CB 3.31Å; V139-K142 PolarHBondContact O-N 2.62Å; V139-I143 HydrophobicContact CG1-CD1 4.41Å |
| 140 | L | 88.3 | Confident | 92.1 | Very high | 41 Ų | 41 | 54 Ų | 54 | 22% | 0.215 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.5 | -39 | 177.9 | -66.1 | -168 | 0 | 0 | 0 | 112.9 | F55 D105 D136 K142 I143 | F55-L140 HydrophobicContact CB-CD1 4.46Å; F55-L140 HydrophobicContact CB-CD2 3.61Å; F55-L140 HydrophobicContact CB-CG 4.4Å; F55-L140 HydrophobicContact CD1-CD2 3.58Å; F55-L140 HydrophobicContact CE1-CD2 4.38Å; F55-L140 HydrophobicContact CG-CD2 3.69Å; D105-L140 HydrophobicContact CB-CD2 4.23Å; D136-L140 WeakPolarHBondContact O-CG 3.1Å; D136-L140 PolarHBondContact O-N 3.04Å; L140-K142 PolarHBondContact O-N 2.76Å; L140-K142 VanDerWaalsContact O-N 3.15Å; L140-I143 PolarHBondContact O-N 3.1Å |
| 141 | K | 89.7 | Confident | 92.3 | Very high | 167 Ų | 167 | 51.7 Ų | 51.7 | 73% | 0.726 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -4.9 | 175.3 | -75.7 | 175.8 | 179.4 | -179.9 | 0 | 115 | I137 V139 | I137-K141 HydrophobicContact CG2-CD 4.43Å; I137-K141 VanDerWaalsContact O-CG 3.32Å; I137-K141 WeakPolarHBondContact O-CG 3.37Å; I137-K141 PolarHBondContact O-N 2.95Å; V139-K141 VanDerWaalsContact C-N 3.29Å; V139-K141 PolarHBondContact O-N 2.84Å |
| 142 | K | 93.3 | Very high | 92.5 | Very high | 99 Ų | 99 | 50.5 Ų | 50.5 | 43% | 0.43 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | 4.8 | 179.5 | -62.8 | 159.5 | -167.4 | 152.9 | 0 | 112 | L109 Q112 E138 V139 L140 | L109-K142 HydrophobicContact CD1-CB 4.29Å; L109-K142 WeakPolarHBondContact CD1-O 3.39Å; Q112-K142 PolarHBondContact NE2-O 3.01Å; E138-K142 WeakPolarHBondContact O-CD 3.1Å; E138-K142 WeakPolarHBondContact O-CE 3.32Å; E138-K142 VanDerWaalsContact O-CG 3.32Å; E138-K142 WeakPolarHBondContact O-CG 3.06Å; E138-K142 PolarHBondContact O-NZ 3.22Å; E138-K142 IonicContact OE2-NZ 3.7Å; E138-K142 PolarHBondContact OE2-NZ 3.22Å; E138-K142 VanDerWaalsContact OE2-NZ 3.1Å; V139-K142 WeakPolarHBondContact O-CB 3.31Å; V139-K142 PolarHBondContact O-N 2.62Å; L140-K142 PolarHBondContact O-N 2.76Å; L140-K142 VanDerWaalsContact O-N 3.15Å |
| 143 | I | 95.3 | Very high | 92.7 | Very high | 7 Ų | 7 | 53.3 Ų | 53.3 | 4% | 0.036 | 28% | 0.281 | C | S | . | . | trans | -109.7 | 115.9 | 177.3 | -58.1 | 171.3 | 0 | 0 | 0 | 108.7 | F55 G56 D105 V108 L109 V139 L140 | F55-I143 HydrophobicContact CD2-CB 4.39Å; F55-I143 HydrophobicContact CD2-CD1 3.91Å; F55-I143 HydrophobicContact CD2-CG2 3.91Å; F55-I143 HydrophobicContact CE2-CD1 4Å; F55-I143 HydrophobicContact CE2-CG2 4.31Å; G56-I143 WeakPolarHBondContact CA-O 3.47Å; D105-I143 HydrophobicContact CB-CD1 3.84Å; D105-I143 WeakPolarHBondContact O-CD1 3.49Å; V108-I143 HydrophobicContact CB-CG2 4.49Å; V108-I143 HydrophobicContact CG1-CG2 3.65Å; L109-I143 HydrophobicContact CB-CD1 4.44Å; L109-I143 HydrophobicContact CB-CG1 4.21Å; L109-I143 HydrophobicContact CD1-CG1 4.35Å; V139-I143 HydrophobicContact CG1-CD1 4.41Å; L140-I143 PolarHBondContact O-N 3.1Å | ||
| 144 | D | 94.5 | Very high | 93 | Very high | 103 Ų | 103 | 53 Ų | 53 | 55% | 0.551 | 27% | 0.274 | S | S | * | . | trans | -112 | -21.6 | -176.2 | -55.6 | -69.1 | 0 | 0 | 0 | 112.1 | Y57 Q112 | Y57-D144 WeakPolarHBondContact CB-O 3.45Å; Y57-D144 PolarHBondContact N-O 2.89Å; Q112-D144 PolarHBondContact NE2-OD2 3.22Å | ||
| 145 | I | 95.4 | Very high | 93.5 | Very high | 14 Ų | 14 | 51.7 Ų | 51.7 | 7% | 0.072 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -77.9 | 140.2 | 179 | 64.9 | 173.6 | 0 | 0 | 0 | 111.7 | G56 V108 A111 Q112 A119 | G56-I145 WeakPolarHBondContact CA-O 3.38Å; V108-I145 HydrophobicContact CG1-CD1 3.83Å; V108-I145 HydrophobicContact CG1-CG1 3.66Å; A111-I145 HydrophobicContact CB-CD1 4.25Å; Q112-I145 HydrophobicContact CB-CD1 3.92Å; Q112-I145 HydrophobicContact CB-CG1 4.14Å; Q112-I145 HydrophobicContact CB-CG2 4.32Å; Q112-I145 HydrophobicContact CG-CG2 4.06Å; Q112-I145 VanDerWaalsContact OE1-N 3.11Å; A119-I145 HydrophobicContact CB-CD1 4.23Å |
| 146 | P | 95.3 | Very high | 94 | Very high | 17 Ų | 17 | 46.8 Ų | 46.8 | 11% | 0.11 | 24% | 0.239 | C | C | . | . | trans | -61.2 | 144.6 | 167.7 | 25.1 | -33.2 | 0 | 0 | 0 | 110.2 | Y57 L59 L64 K117 A118 A119 | Y57-P146 WeakPolarHBondContact O-CA 3.39Å; Y57-P146 WeakPolarHBondContact O-CB 3.16Å; L59-P146 HydrophobicContact CD2-CB 3.74Å; L59-P146 HydrophobicContact CD2-CG 3.84Å; L59-P146 HydrophobicContact CG-CB 4.05Å; L64-P146 HydrophobicContact CD2-CG 3.8Å; K117-P146 WeakPolarHBondContact O-CD 3.35Å; A118-P146 VanDerWaalsContact CA-O 3.24Å; A118-P146 WeakPolarHBondContact CA-O 3.41Å; A118-P146 HydrophobicContact CB-CG 4.08Å; A118-P146 WeakPolarHBondContact CB-O 3.31Å; A119-P146 PolarHBondContact N-O 2.89Å | ||
| 147 | S | 95.4 | Very high | 94.3 | Very high | 4 Ų | 4 | 45.2 Ų | 45.2 | 3% | 0.028 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 148.2 | 174.3 | 56.2 | 0 | 0 | 0 | 0 | 112 | A53 F55 A119 | A53-S147 WeakPolarHBondContact CB-O 3.45Å; A53-S147 VanDerWaalsContact CB-OG 3.23Å; A53-S147 WeakPolarHBondContact CB-OG 3.34Å; A53-S147 PolarHBondContact N-O 3.28Å; F55-S147 WeakPolarHBondContact CE2-OG 3.27Å; A119-S147 CarbonylContact O-C 3.58Å; A119-S147 WeakPolarHBondContact O-CA 3.49Å; A119-S147 WeakPolarHBondContact O-CB 3.37Å |
| 148 | V | 95.7 | Very high | 94.6 | Very high | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.012 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 153 | -170.9 | -64.1 | 0 | 0 | 0 | 0 | 110.6 | I36 D50 A119 I120 V121 M132 L172 | I36-V148 HydrophobicContact CD1-CG2 4.19Å; D50-V148 HydrophobicContact CB-CB 4.05Å; D50-V148 HydrophobicContact CB-CG2 4.41Å; D50-V148 VanDerWaalsContact OD2-CB 3.25Å; D50-V148 WeakPolarHBondContact OD2-CB 3.28Å; D50-V148 WeakPolarHBondContact OD2-CG1 3.07Å; A119-V148 PolarHBondContact O-N 3.26Å; I120-V148 WeakPolarHBondContact CA-O 3.25Å; I120-V148 HydrophobicContact CB-CG2 4.25Å; I120-V148 HydrophobicContact CG1-CG2 3.71Å; I120-V148 HydrophobicContact CG2-CG2 4.31Å; V121-V148 PolarHBondContact N-O 3.03Å; M132-V148 VanDerWaalsContact CE-C 3.42Å; M132-V148 VanDerWaalsContact CE-O 3.31Å; M132-V148 WeakPolarHBondContact CE-O 3.29Å; V148-L172 HydrophobicContact CG2-CD2 4.15Å |
| 149 | F | 96.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 135.7 | -178.6 | -169 | -89 | 0 | 0 | 0 | 111.7 | D50 L51 F104 V121 N123 D128 L129 I130 M132 | D50-F149 CarbonylContact C-O 3.52Å; D50-F149 VanDerWaalsContact CA-O 3.23Å; D50-F149 WeakPolarHBondContact CA-O 3.43Å; D50-F149 WeakPolarHBondContact CB-O 3.33Å; L51-F149 HydrophobicContact CB-CB 4.49Å; L51-F149 PolarHBondContact N-O 3.28Å; L51-F149 PolarHBondContact O-N 3.15Å; F104-F149 HydrophobicContact CE1-CD2 4.18Å; F104-F149 AromaticContact CE1-CE2 3.83Å; F104-F149 HydrophobicContact CE1-CE2 3.83Å; F104-F149 HydrophobicContact CZ-CE2 4.16Å; V121-F149 HydrophobicContact CB-CD2 4.12Å; V121-F149 HydrophobicContact CG1-CD2 4.19Å; V121-F149 HydrophobicContact CG1-CE2 4.16Å; V121-F149 VanDerWaalsContact O-CA 3.28Å; V121-F149 WeakPolarHBondContact O-CA 3Å; V121-F149 WeakPolarHBondContact O-CD2 3.23Å; N123-F149 HydrophobicContact CB-CE1 3.72Å; N123-F149 HydrophobicContact CB-CZ 3.52Å; D128-F149 WeakPolarHBondContact O-CE1 3.45Å; L129-F149 HydrophobicContact CD2-CD1 4.35Å; I130-F149 HydrophobicContact CB-CD1 4.22Å; I130-F149 HydrophobicContact CB-CE1 3.81Å; I130-F149 HydrophobicContact CB-CZ 3.97Å; I130-F149 HydrophobicContact CD1-CE1 4.45Å; I130-F149 HydrophobicContact CD1-CZ 4.27Å; I130-F149 HydrophobicContact CG1-CE1 4.08Å; I130-F149 HydrophobicContact CG1-CZ 4.31Å; I130-F149 WeakPolarHBondContact O-CG 3.18Å; M132-F149 HydrophobicContact CE-CB 4.03Å; M132-F149 HydrophobicContact CG-CB 4.14Å; M132-F149 HydrophobicContact CG-CD2 3.83Å; M132-F149 HydrophobicContact CG-CG 4.35Å; M132-F149 HydrophobicContact SD-CB 4.47Å; M132-F149 HydrophobicContact SD-CD2 3.99Å |
| 150 | I | 97.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 161 | -179.1 | 62.6 | 170.7 | 0 | 0 | 0 | 113.5 | I36 D50 L96 I120 V121 H122 N123 A155 L158 | I36-I150 HydrophobicContact CD1-CG2 3.72Å; D50-I150 HydrophobicContact CB-CG2 3.57Å; L96-I150 HydrophobicContact CD1-CD1 4.17Å; I120-I150 HydrophobicContact CG2-CD1 3.52Å; I120-I150 HydrophobicContact CG2-CG1 3.67Å; I120-I150 HydrophobicContact CG2-CG2 4.15Å; V121-I150 PolarHBondContact O-N 3.3Å; H122-I150 CarbonylContact C-O 3.45Å; H122-I150 WeakPolarHBondContact CA-O 3.19Å; H122-I150 HydrophobicContact CB-CD1 4.21Å; H122-I150 HydrophobicContact CB-CG1 3.72Å; N123-I150 PolarHBondContact N-O 2.85Å; I150-A155 HydrophobicContact CD1-CB 3.7Å; I150-A155 HydrophobicContact CG1-CB 4.25Å; I150-L158 HydrophobicContact CD1-CD1 3.57Å |
| 151 | G | 97.6 | Very high | 95.5 | Very high | 2 Ų | 2 | 41.7 Ų | 41.7 | 2% | 0.021 | 22% | 0.216 | C | C | . | . | trans | -63.9 | 163.8 | 169 | 0 | 0 | 0 | 0 | 0 | 114.1 | A155 | G151-A155 WeakPolarHBondContact O-CB 3.25Å; G151-A155 PolarHBondContact O-N 3.31Å; G151-A155 VanDerWaalsContact O-N 3.13Å | ||
| 152 | E | 97.4 | Very high | 95.7 | Very high | 37 Ų | 37 | 33.8 Ų | 33.8 | 17% | 0.173 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -72.1 | -38.3 | -179.9 | -173.8 | 168.3 | -121.2 | 0 | 0 | 112.8 | R98 V124 D125 S126 D127 A155 N156 | R98-E152 IonicContact NH1-OE1 3.02Å; V124-E152 WeakPolarHBondContact CA-OE1 3.35Å; D125-E152 VanDerWaalsContact CA-OE2 3.31Å; D125-E152 WeakPolarHBondContact CA-OE2 3.41Å; D125-E152 VanDerWaalsContact N-CD 3.3Å; D125-E152 PolarHBondContact N-OE1 2.91Å; D125-E152 PolarHBondContact N-OE2 3.42Å; S126-E152 WeakPolarHBondContact O-CB 3.15Å; S126-E152 PolarHBondContact O-N 3.17Å; D127-E152 PolarHBondContact OD1-N 2.88Å; E152-A155 PolarHBondContact O-N 3.18Å; E152-N156 PolarHBondContact O-N 2.96Å; E152-N156 PolarHBondContact O-ND2 3.37Å |
| 153 | S | 96.8 | Very high | 95.8 | Very high | 58 Ų | 58 | 29.6 Ų | 29.6 | 41% | 0.406 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -64 | -47.7 | 177.6 | 65 | 0 | 0 | 0 | 0 | 111.3 | D127 A155 N156 S157 | D127-S153 PolarHBondContact OD1-N 3.43Å; D127-S153 PolarHBondContact OD1-OG 2.92Å; D127-S153 VanDerWaalsContact OD1-OG 3.07Å; D127-S153 VanDerWaalsContact OD2-CB 3.29Å; D127-S153 WeakPolarHBondContact OD2-CB 3.28Å; D127-S153 PolarHBondContact OD2-OG 2.79Å; S153-A155 VanDerWaalsContact C-N 3.3Å; S153-A155 PolarHBondContact O-N 3.37Å; S153-N156 PolarHBondContact O-N 2.84Å; S153-N156 VanDerWaalsContact O-N 3.09Å; S153-S157 PolarHBondContact O-N 2.96Å; S153-S157 PolarHBondContact O-OG 2.57Å |
| 154 | S | 96.4 | Very high | 95.6 | Very high | 21 Ų | 21 | 32 Ų | 32 | 15% | 0.147 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -52.8 | -46.3 | 170.2 | -59.5 | 0 | 0 | 0 | 0 | 111.8 | N156 S157 L158 | S154-N156 VanDerWaalsContact C-N 3.32Å; S154-N156 PolarHBondContact O-N 3.44Å; S154-S157 PolarHBondContact O-N 3.27Å; S154-L158 WeakPolarHBondContact O-CB 3.45Å; S154-L158 VanDerWaalsContact O-CG 3.28Å; S154-L158 WeakPolarHBondContact O-CG 3.49Å; S154-L158 PolarHBondContact O-N 2.87Å |
| 155 | A | 97.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.5 | -32.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | L96 H122 I150 G151 E152 S153 K159 | L96-A155 HydrophobicContact CD1-CB 4.41Å; H122-A155 HydrophobicContact CB-CB 3.26Å; H122-A155 VanDerWaalsContact CG-CB 3.46Å; I150-A155 HydrophobicContact CD1-CB 3.7Å; I150-A155 HydrophobicContact CG1-CB 4.25Å; G151-A155 WeakPolarHBondContact O-CB 3.25Å; G151-A155 PolarHBondContact O-N 3.31Å; G151-A155 VanDerWaalsContact O-N 3.13Å; E152-A155 PolarHBondContact O-N 3.18Å; S153-A155 VanDerWaalsContact C-N 3.3Å; S153-A155 PolarHBondContact O-N 3.37Å; A155-K159 WeakPolarHBondContact O-CD 3.42Å; A155-K159 WeakPolarHBondContact O-CG 3.44Å; A155-K159 PolarHBondContact O-N 2.94Å |
| 156 | N | 97.1 | Very high | 95.2 | Very high | 62 Ų | 62 | 39.1 Ų | 39.1 | 33% | 0.332 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -73.5 | -43.8 | 176.2 | -66.8 | -24.2 | 0 | 0 | 0 | 111 | E152 S153 S154 L158 K159 D160 | E152-N156 PolarHBondContact O-N 2.96Å; E152-N156 PolarHBondContact O-ND2 3.37Å; S153-N156 PolarHBondContact O-N 2.84Å; S153-N156 VanDerWaalsContact O-N 3.09Å; S154-N156 VanDerWaalsContact C-N 3.32Å; S154-N156 PolarHBondContact O-N 3.44Å; N156-L158 VanDerWaalsContact C-N 3.3Å; N156-L158 PolarHBondContact O-N 3.23Å; N156-K159 WeakPolarHBondContact O-CB 3.5Å; N156-K159 PolarHBondContact O-N 2.76Å; N156-K159 VanDerWaalsContact O-N 3.11Å; N156-K159 PolarHBondContact OD1-NZ 3.33Å; N156-D160 WeakPolarHBondContact O-CB 3.32Å; N156-D160 PolarHBondContact O-N 3.27Å |
| 157 | S | 95.7 | Very high | 94.8 | Very high | 43 Ų | 43 | 39.9 Ų | 39.9 | 30% | 0.301 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -55.9 | -43.9 | 169.9 | -61.7 | 0 | 0 | 0 | 0 | 112.3 | S153 S154 K159 D160 E161 | S153-S157 PolarHBondContact O-N 2.96Å; S153-S157 PolarHBondContact O-OG 2.57Å; S154-S157 PolarHBondContact O-N 3.27Å; S157-K159 PolarHBondContact O-N 3.42Å; S157-D160 PolarHBondContact O-N 3.49Å; S157-E161 PolarHBondContact O-N 3.42Å |
| 158 | L | 95.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.9 | -39.1 | 175.5 | -76.2 | 175.2 | 0 | 0 | 0 | 113.1 | A38 F48 L68 I150 S154 N156 F162 T163 L170 | A38-L158 HydrophobicContact CB-CD2 3.92Å; F48-L158 HydrophobicContact CD2-CD1 4.47Å; F48-L158 HydrophobicContact CD2-CD2 3.84Å; F48-L158 HydrophobicContact CD2-CG 4.11Å; F48-L158 HydrophobicContact CE2-CD2 3.44Å; F48-L158 VanDerWaalsContact CE2-CD2 3.44Å; F48-L158 HydrophobicContact CE2-CG 3.81Å; F48-L158 HydrophobicContact CZ-CD2 4.11Å; F48-L158 HydrophobicContact CZ-CG 4.07Å; L68-L158 HydrophobicContact CD2-CB 3.75Å; L68-L158 HydrophobicContact CD2-CD2 4.31Å; L68-L158 WeakPolarHBondContact CD2-O 3.47Å; I150-L158 HydrophobicContact CD1-CD1 3.57Å; S154-L158 WeakPolarHBondContact O-CB 3.45Å; S154-L158 VanDerWaalsContact O-CG 3.28Å; S154-L158 WeakPolarHBondContact O-CG 3.49Å; S154-L158 PolarHBondContact O-N 2.87Å; N156-L158 VanDerWaalsContact C-N 3.3Å; N156-L158 PolarHBondContact O-N 3.23Å; L158-F162 HydrophobicContact CD2-CB 4.04Å; L158-F162 HydrophobicContact CD2-CD2 4.21Å; L158-F162 HydrophobicContact CD2-CG 4.35Å; L158-F162 CarbonylContact O-C 3.59Å; L158-F162 PolarHBondContact O-N 3.18Å; L158-F162 VanDerWaalsContact O-N 3.14Å; L158-T163 PolarHBondContact O-N 3.48Å; L158-L170 HydrophobicContact CD2-CD1 4.29Å; L158-L170 HydrophobicContact CD2-CD2 3.6Å |
| 159 | K | 95.3 | Very high | 94.5 | Very high | 36 Ų | 36 | 40.8 Ų | 40.8 | 16% | 0.157 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -68.9 | -39.6 | 173.6 | -68.1 | 163.1 | -163 | 166.2 | 0 | 112.2 | L96 H122 A155 N156 S157 T163 K166 | L96-K159 HydrophobicContact CD2-CD 4.29Å; L96-K159 HydrophobicContact CD2-CG 3.66Å; H122-K159 PolarHBondContact CE1-NZ 2.86Å; H122-K159 VanDerWaalsContact CE1-NZ 3.32Å; H122-K159 PolarHBondContact NE2-NZ 3.18Å; A155-K159 WeakPolarHBondContact O-CD 3.42Å; A155-K159 WeakPolarHBondContact O-CG 3.44Å; A155-K159 PolarHBondContact O-N 2.94Å; N156-K159 WeakPolarHBondContact O-CB 3.5Å; N156-K159 PolarHBondContact O-N 2.76Å; N156-K159 VanDerWaalsContact O-N 3.11Å; N156-K159 PolarHBondContact OD1-NZ 3.33Å; S157-K159 PolarHBondContact O-N 3.42Å; K159-T163 WeakPolarHBondContact O-CG2 3.39Å; K159-K166 PolarHBondContact O-NZ 2.92Å |
| 160 | D | 94 | Very high | 94.4 | Very high | 120 Ų | 120 | 40.8 Ų | 40.8 | 64% | 0.642 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -81.2 | -23.8 | -169.7 | -75.3 | -20.8 | 0 | 0 | 0 | 113.8 | N156 S157 K166 | N156-D160 WeakPolarHBondContact O-CB 3.32Å; N156-D160 PolarHBondContact O-N 3.27Å; S157-D160 PolarHBondContact O-N 3.49Å; D160-K166 VanDerWaalsContact CA-NZ 3.32Å; D160-K166 WeakPolarHBondContact O-CD 3.43Å; D160-K166 PolarHBondContact O-NZ 2.72Å |
| 161 | E | 93.1 | Very high | 94.3 | Very high | 83 Ų | 83 | 42.4 Ų | 42.4 | 39% | 0.388 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -128.7 | -36.4 | 179.6 | -171.5 | 166.8 | 171 | 0 | 0 | 114.9 | N40 S157 | N40-E161 HydrophobicContact CB-CG 3.94Å; N40-E161 PolarHBondContact ND2-OE1 3.47Å; S157-E161 PolarHBondContact O-N 3.42Å |
| 162 | F | 95.3 | Very high | 94 | Very high | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.009 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -103.8 | 12.1 | -161.9 | -59.7 | -78.8 | 0 | 0 | 0 | 115.9 | A38 N40 Q46 F48 L158 G168 L170 | A38-F162 HydrophobicContact CB-CB 4.19Å; A38-F162 HydrophobicContact CB-CD1 3.52Å; A38-F162 HydrophobicContact CB-CD2 4.01Å; A38-F162 HydrophobicContact CB-CE1 3.82Å; A38-F162 HydrophobicContact CB-CE2 4.29Å; A38-F162 HydrophobicContact CB-CG 3.62Å; A38-F162 HydrophobicContact CB-CZ 4.21Å; N40-F162 HydrophobicContact CB-CD1 4.16Å; N40-F162 HydrophobicContact CB-CE1 3.88Å; Q46-F162 HydrophobicContact CB-CE2 3.93Å; Q46-F162 HydrophobicContact CB-CZ 3.6Å; F48-F162 HydrophobicContact CE2-CD2 4.33Å; F48-F162 HydrophobicContact CE2-CE2 4.29Å; F48-F162 HydrophobicContact CZ-CD2 4.34Å; F48-F162 HydrophobicContact CZ-CE2 4.13Å; L158-F162 HydrophobicContact CD2-CB 4.04Å; L158-F162 HydrophobicContact CD2-CD2 4.21Å; L158-F162 HydrophobicContact CD2-CG 4.35Å; L158-F162 CarbonylContact O-C 3.59Å; L158-F162 PolarHBondContact O-N 3.18Å; L158-F162 VanDerWaalsContact O-N 3.14Å; F162-G168 CarbonylContact O-C 3.59Å; F162-L170 HydrophobicContact CB-CD2 4.08Å |
| 163 | T | 94.4 | Very high | 93.7 | Very high | 11 Ų | 11 | 42.4 Ų | 42.4 | 7% | 0.067 | 23% | 0.226 | C | C | . | . | B | Isolated β-bridge | trans | -74.1 | 154.9 | 179.3 | 57.2 | 0 | 0 | 0 | 0 | 113.7 | L68 L158 K159 E165 K166 G167 G168 | L68-T163 HydrophobicContact CD2-CG2 4.26Å; L158-T163 PolarHBondContact O-N 3.48Å; K159-T163 WeakPolarHBondContact O-CG2 3.39Å; T163-E165 VanDerWaalsContact C-N 3.25Å; T163-E165 PolarHBondContact O-N 2.96Å; T163-K166 CarbonylContact O-C 3.59Å; T163-K166 WeakPolarHBondContact O-CA 3.3Å; T163-K166 WeakPolarHBondContact O-CB 3.38Å; T163-K166 PolarHBondContact O-N 3.26Å; T163-K166 WeakPolarHBondContact OG1-CD 3.41Å; T163-G167 PolarHBondContact O-N 2.97Å; T163-G168 PolarHBondContact O-N 3.41Å; T163-G168 VanDerWaalsContact O-N 3.1Å |
| 164 | Y | 91.8 | Very high | 93.1 | Very high | 56 Ų | 56 | 40.6 Ų | 40.6 | 22% | 0.22 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -51.1 | -41.1 | 176.6 | 171.9 | -109 | 0 | 0 | 0 | 113.5 | F67 L68 I69 P84 K86 F93 K166 G167 | F67-Y164 HydrophobicContact CB-CD2 3.73Å; F67-Y164 HydrophobicContact CB-CG 4.32Å; F67-Y164 AromaticContact CD1-CD2 3.84Å; F67-Y164 HydrophobicContact CD1-CD2 3.84Å; F67-Y164 HydrophobicContact CD1-CE2 4.47Å; F67-Y164 HydrophobicContact CD2-CD2 4.46Å; F67-Y164 AromaticContact CG-CD2 3.77Å; F67-Y164 HydrophobicContact CG-CD2 3.77Å; F67-Y164 HydrophobicContact CG-CE2 4.36Å; L68-Y164 VanDerWaalsContact O-CB 3.26Å; L68-Y164 WeakPolarHBondContact O-CB 3.44Å; L68-Y164 PolarHBondContact O-N 3.46Å; I69-Y164 HydrophobicContact CD1-CD1 4.46Å; P84-Y164 HydrophobicContact CB-CE1 4.33Å; P84-Y164 HydrophobicContact CG-CD1 4.34Å; P84-Y164 HydrophobicContact CG-CE1 3.96Å; K86-Y164 WeakPolarHBondContact CE-OH 3.44Å; K86-Y164 PolarHBondContact NZ-OH 2.84Å; F93-Y164 HydrophobicContact CE1-CD2 4.03Å; F93-Y164 HydrophobicContact CE1-CE2 4.07Å; F93-Y164 HydrophobicContact CE1-CG 4.35Å; F93-Y164 HydrophobicContact CZ-CE2 4.49Å; Y164-K166 PolarHBondContact O-N 2.97Å; Y164-G167 PolarHBondContact O-N 3.26Å |
| 165 | E | 90 | Very high | 91.9 | Very high | 169 Ų | 169 | 44 Ų | 44 | 79% | 0.79 | 23% | 0.227 | S | C | * | . | G | 310 helix | trans | -65.9 | -23.8 | 179.7 | -63.8 | 179.9 | -172.2 | 0 | 0 | 112.5 | T163 | T163-E165 VanDerWaalsContact C-N 3.25Å; T163-E165 PolarHBondContact O-N 2.96Å |
| 166 | K | 90.7 | Very high | 90.2 | Very high | 99 Ų | 99 | 51.1 Ų | 51.1 | 43% | 0.43 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -93.4 | 3.4 | 175.8 | -62.5 | 172.4 | -175.2 | 172.3 | 0 | 112.7 | F41 K159 D160 T163 Y164 G168 | F41-K166 WeakPolarHBondContact CB-O 3.41Å; K159-K166 PolarHBondContact O-NZ 2.92Å; D160-K166 VanDerWaalsContact CA-NZ 3.32Å; D160-K166 WeakPolarHBondContact O-CD 3.43Å; D160-K166 PolarHBondContact O-NZ 2.72Å; T163-K166 CarbonylContact O-C 3.59Å; T163-K166 WeakPolarHBondContact O-CA 3.3Å; T163-K166 WeakPolarHBondContact O-CB 3.38Å; T163-K166 PolarHBondContact O-N 3.26Å; T163-K166 WeakPolarHBondContact OG1-CD 3.41Å; Y164-K166 PolarHBondContact O-N 2.97Å; K166-G168 VanDerWaalsContact C-N 3.25Å; K166-G168 PolarHBondContact O-N 2.93Å |
| 167 | G | 88.3 | Confident | 88.2 | Confident | 32 Ų | 32 | 51.5 Ų | 51.5 | 33% | 0.33 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77 | 5.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | T163 Y164 | T163-G167 PolarHBondContact O-N 2.97Å; Y164-G167 PolarHBondContact O-N 3.26Å |
| 168 | G | 91.1 | Very high | 86.2 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.277 | C | S | . | . | trans | -73.2 | 154.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y39 F67 F162 T163 K166 | Y39-G168 CarbonylContact O-C 3.55Å; Y39-G168 VanDerWaalsContact O-CA 3.24Å; Y39-G168 WeakPolarHBondContact O-CA 3.32Å; F67-G168 WeakPolarHBondContact CD1-O 3.35Å; F162-G168 CarbonylContact O-C 3.59Å; T163-G168 PolarHBondContact O-N 3.41Å; T163-G168 VanDerWaalsContact O-N 3.1Å; K166-G168 VanDerWaalsContact C-N 3.25Å; K166-G168 PolarHBondContact O-N 2.93Å | ||
| 169 | H | 93.1 | Very high | 84.6 | Confident | 25 Ų | 25 | 57.2 Ų | 57.2 | 12% | 0.116 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 153.9 | 173.8 | 70.9 | -83.8 | 0 | 0 | 0 | 111.4 | Y39 K65 F67 | Y39-H169 WeakPolarHBondContact CB-CE1 3.37Å; Y39-H169 AromaticContact CD2-NE2 3.79Å; Y39-H169 AromaticContact CG-CE1 3.96Å; Y39-H169 AromaticContact CG-NE2 3.9Å; Y39-H169 PolarHBondContact N-O 3.49Å; Y39-H169 PolarHBondContact O-N 3.36Å; K65-H169 WeakPolarHBondContact CE-CD2 3.36Å; K65-H169 WeakPolarHBondContact CE-NE2 3.38Å; K65-H169 PolarHBondContact NZ-CD2 3.26Å; K65-H169 VanDerWaalsContact NZ-CD2 3.29Å; K65-H169 PolarHBondContact NZ-NE2 2.84Å; F67-H169 HydrophobicContact CD1-CB 4.01Å; F67-H169 HydrophobicContact CE1-CB 4.12Å |
| 170 | L | 94.9 | Very high | 83 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 160.3 | 177.7 | -48.3 | -175.5 | 0 | 0 | 0 | 110.8 | I36 L37 A38 K65 G66 L68 I94 I120 L158 F162 | I36-L170 HydrophobicContact CG2-CB 4.44Å; I36-L170 HydrophobicContact CG2-CD1 4.23Å; I36-L170 HydrophobicContact CG2-CD2 4.48Å; L37-L170 CarbonylContact O-C 3.51Å; L37-L170 WeakPolarHBondContact O-CA 3.5Å; A38-L170 HydrophobicContact CB-CD2 3.45Å; A38-L170 VanDerWaalsContact CB-CD2 3.45Å; K65-L170 CarbonylContact C-O 3.57Å; K65-L170 VanDerWaalsContact CA-O 3.31Å; K65-L170 WeakPolarHBondContact CA-O 3.4Å; G66-L170 PolarHBondContact N-O 2.92Å; G66-L170 PolarHBondContact O-N 2.68Å; L68-L170 HydrophobicContact CB-CD1 4.03Å; L68-L170 HydrophobicContact CB-CG 4.14Å; L68-L170 HydrophobicContact CD1-CD1 3.79Å; L68-L170 HydrophobicContact CD2-CD1 4.23Å; L68-L170 HydrophobicContact CG-CD1 4.23Å; I94-L170 HydrophobicContact CD1-CB 4.37Å; I120-L170 HydrophobicContact CD1-CD1 3.54Å; L158-L170 HydrophobicContact CD2-CD1 4.29Å; L158-L170 HydrophobicContact CD2-CD2 3.6Å; F162-L170 HydrophobicContact CB-CD2 4.08Å |
| 171 | I | 93.7 | Very high | 81.4 | Confident | 34 Ų | 34 | 59 Ų | 59 | 17% | 0.174 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 115 | 161.5 | -47.9 | -179.6 | 0 | 0 | 0 | 106.3 | L37 Y39 K65 | L37-I171 HydrophobicContact CB-CB 4.32Å; L37-I171 PolarHBondContact N-O 3.38Å; L37-I171 PolarHBondContact O-N 3.35Å; Y39-I171 HydrophobicContact CE2-CD1 3.91Å; Y39-I171 HydrophobicContact CE2-CG1 4.24Å; K65-I171 HydrophobicContact CB-CG1 4.08Å; K65-I171 HydrophobicContact CD-CD1 4.31Å; K65-I171 HydrophobicContact CD-CG1 4.24Å; K65-I171 HydrophobicContact CG-CG1 4.2Å |
| 172 | L | 93 | Very high | 80.1 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 116.9 | 169 | -58.5 | 178.2 | 0 | 0 | 0 | 107.7 | I36 L59 G63 L64 I94 A118 I120 V148 | I36-L172 HydrophobicContact CB-CD2 4.4Å; I36-L172 HydrophobicContact CD1-CD2 3.84Å; I36-L172 HydrophobicContact CG1-CD2 3.72Å; I36-L172 HydrophobicContact CG2-CD2 4.17Å; L59-L172 HydrophobicContact CD1-CB 3.81Å; L59-L172 HydrophobicContact CD2-CB 3.68Å; L59-L172 HydrophobicContact CD2-CD1 4.2Å; L59-L172 HydrophobicContact CG-CB 4.44Å; G63-L172 CarbonylContact C-O 3.58Å; G63-L172 WeakPolarHBondContact CA-O 3.32Å; L64-L172 HydrophobicContact CB-CB 4.42Å; L64-L172 PolarHBondContact N-O 2.84Å; L64-L172 PolarHBondContact O-N 3.3Å; I94-L172 HydrophobicContact CD1-CD1 4.11Å; I94-L172 HydrophobicContact CD1-CG 4.1Å; I94-L172 HydrophobicContact CG2-CD1 4.49Å; A118-L172 HydrophobicContact CB-CD1 3.69Å; I120-L172 HydrophobicContact CD1-CD2 4.3Å; I120-L172 HydrophobicContact CG1-CD2 4.44Å; V148-L172 HydrophobicContact CG2-CD2 4.15Å |
| 173 | V | 90 | Very high | 79.1 | Confident | 39 Ų | 39 | 71 Ų | 71 | 24% | 0.236 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -93.1 | 138.2 | -179.7 | -174.9 | 0 | 0 | 0 | 0 | 108.1 | D35 L37 L59 E175 | D35-V173 PolarHBondContact O-N 3.34Å; L37-V173 HydrophobicContact CD1-CG2 3.77Å; L37-V173 HydrophobicContact CG-CG2 3.88Å; L59-V173 VanDerWaalsContact CD1-O 3.31Å; L59-V173 WeakPolarHBondContact CD1-O 3.27Å; V173-E175 PolarHBondContact O-N 3.14Å |
| 174 | P | 84.2 | Confident | 78.1 | Confident | 21 Ų | 21 | 73 Ų | 73 | 14% | 0.136 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 124.8 | 169.1 | 27.7 | -35.2 | 0 | 0 | 0 | 109.8 | L59 P60 F176 | L59-P174 HydrophobicContact CB-CB 3.97Å; P60-P174 WeakPolarHBondContact O-CD 3.48Å; P60-P174 WeakPolarHBondContact O-CG 3.13Å; P174-F176 HydrophobicContact CG-CD2 4.14Å; P174-F176 HydrophobicContact CG-CE2 3.6Å; P174-F176 HydrophobicContact CG-CZ 4.03Å; P174-F176 WeakPolarHBondContact O-CD2 3.21Å; P174-F176 PolarHBondContact O-N 2.99Å |
| 175 | E | 71.9 | Confident | 77.4 | Confident | 92 Ų | 92 | 74.4 Ų | 74.4 | 43% | 0.43 | 37% | 0.366 | S | S | . | . | trans | -54.9 | 98.5 | 170.9 | -170.6 | -154.4 | 152.6 | 0 | 0 | 109.7 | D35 V173 S177 | D35-E175 WeakPolarHBondContact OD1-CA 3.42Å; D35-E175 WeakPolarHBondContact OD1-CB 3.17Å; V173-E175 PolarHBondContact O-N 3.14Å; E175-S177 VanDerWaalsContact CD-OG 3.3Å; E175-S177 PolarHBondContact O-N 3.37Å; E175-S177 WeakPolarHBondContact OE1-CB 3.49Å; E175-S177 PolarHBondContact OE1-OG 3.5Å | ||
| 176 | F | 60.5 | Low | 76.7 | Confident | 149 Ų | 149 | 69.2 Ų | 69.2 | 65% | 0.654 | 35% | 0.347 | S | S | * | . | trans | -80.5 | 59 | 174 | -79.5 | -71.5 | 0 | 0 | 0 | 109.7 | P174 L178 | P174-F176 HydrophobicContact CG-CD2 4.14Å; P174-F176 HydrophobicContact CG-CE2 3.6Å; P174-F176 HydrophobicContact CG-CZ 4.03Å; P174-F176 WeakPolarHBondContact O-CD2 3.21Å; P174-F176 PolarHBondContact O-N 2.99Å; F176-L178 PolarHBondContact O-N 2.88Å | ||
| 177 | S | 54.4 | Low | 76.2 | Confident | 70 Ų | 70 | 66.9 Ų | 66.9 | 49% | 0.49 | 34% | 0.337 | S | S | . | . | trans | -67.5 | 75.9 | 167 | 39.6 | 0 | 0 | 0 | 0 | 110.2 | E175 P179 | E175-S177 VanDerWaalsContact CD-OG 3.3Å; E175-S177 PolarHBondContact O-N 3.37Å; E175-S177 WeakPolarHBondContact OE1-CB 3.49Å; E175-S177 PolarHBondContact OE1-OG 3.5Å; S177-P179 VanDerWaalsContact O-CD 3.29Å; S177-P179 WeakPolarHBondContact O-CD 3.48Å | ||
| 178 | L | 55.7 | Low | 75.8 | Confident | 105 Ų | 105 | 70.7 Ų | 70.7 | 55% | 0.55 | 35% | 0.349 | S | S | . | . | trans | -49 | 116.3 | 162.7 | -75 | 169 | 0 | 0 | 0 | 106.5 | L29 F176 L180 | L29-L178 HydrophobicContact CD2-CB 4.28Å; L29-L178 HydrophobicContact CD2-CD1 3.49Å; L29-L178 VanDerWaalsContact CD2-CD1 3.49Å; F176-L178 PolarHBondContact O-N 2.88Å; L178-L180 HydrophobicContact CB-CD2 3.84Å; L178-L180 WeakPolarHBondContact O-CD2 3.41Å; L178-L180 VanDerWaalsContact O-CG 3.27Å; L178-L180 WeakPolarHBondContact O-CG 3.49Å; L178-L180 PolarHBondContact O-N 3.26Å | ||
| 179 | P | 61.2 | Low | 75.3 | Confident | 58 Ų | 58 | 75.4 Ų | 75.4 | 38% | 0.377 | 37% | 0.373 | S | S | . | . | trans | -79.2 | 76.5 | -164.3 | 29.6 | -36.2 | 0 | 0 | 0 | 110.2 | S177 E181 Y182 Y183 | S177-P179 VanDerWaalsContact O-CD 3.29Å; S177-P179 WeakPolarHBondContact O-CD 3.48Å; P179-E181 VanDerWaalsContact C-N 3.27Å; P179-E181 PolarHBondContact O-N 3.22Å; P179-Y182 HydrophobicContact CB-CD2 3.74Å; P179-Y182 HydrophobicContact CB-CG 4.2Å; P179-Y182 WeakPolarHBondContact O-CA 3.39Å; P179-Y182 WeakPolarHBondContact O-CB 3.31Å; P179-Y182 PolarHBondContact O-N 2.99Å; P179-Y183 HydrophobicContact CG-CD2 4.29Å; P179-Y183 HydrophobicContact CG-CE2 3.79Å; P179-Y183 WeakPolarHBondContact O-CD2 3.21Å; P179-Y183 PolarHBondContact O-N 3.36Å | ||
| 180 | L | 60.9 | Low | 74.8 | Confident | 57 Ų | 57 | 79.1 Ų | 79.1 | 30% | 0.298 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.1 | -36.4 | -167.6 | -56.2 | -167.3 | 0 | 0 | 0 | 112 | L29 L178 Y182 Y183 L184 | L29-L180 HydrophobicContact CB-CD1 3.95Å; L29-L180 HydrophobicContact CD1-CD1 3.93Å; L29-L180 HydrophobicContact CD1-CD2 3.43Å; L29-L180 VanDerWaalsContact CD1-CD2 3.43Å; L29-L180 HydrophobicContact CD1-CG 4.29Å; L29-L180 HydrophobicContact CD2-CD1 4.34Å; L29-L180 HydrophobicContact CD2-CD2 3.67Å; L29-L180 HydrophobicContact CG-CD1 4.28Å; L29-L180 HydrophobicContact CG-CD2 4.06Å; L178-L180 HydrophobicContact CB-CD2 3.84Å; L178-L180 WeakPolarHBondContact O-CD2 3.41Å; L178-L180 VanDerWaalsContact O-CG 3.27Å; L178-L180 WeakPolarHBondContact O-CG 3.49Å; L178-L180 PolarHBondContact O-N 3.26Å; L180-Y182 VanDerWaalsContact C-N 3.29Å; L180-Y182 PolarHBondContact O-N 3.39Å; L180-Y183 PolarHBondContact O-N 3.13Å; L180-Y183 VanDerWaalsContact O-N 3.14Å; L180-L184 HydrophobicContact CB-CD1 4.09Å; L180-L184 WeakPolarHBondContact O-CB 3.45Å; L180-L184 WeakPolarHBondContact O-CG 3.29Å; L180-L184 PolarHBondContact O-N 2.88Å |
| 181 | E | 60.5 | Low | 74.3 | Confident | 137 Ų | 137 | 81.8 Ų | 81.8 | 64% | 0.64 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -55.3 | -43.7 | 172.4 | -173.8 | 168.3 | -153.7 | 0 | 0 | 111.9 | P179 Y183 L184 I185 | P179-E181 VanDerWaalsContact C-N 3.27Å; P179-E181 PolarHBondContact O-N 3.22Å; E181-Y183 VanDerWaalsContact C-N 3.29Å; E181-Y183 PolarHBondContact O-N 2.93Å; E181-L184 PolarHBondContact O-N 3.27Å; E181-I185 HydrophobicContact CG-CD1 3.53Å; E181-I185 HydrophobicContact CG-CG1 4.28Å; E181-I185 WeakPolarHBondContact O-CB 3.44Å; E181-I185 VanDerWaalsContact O-CG1 3.29Å; E181-I185 WeakPolarHBondContact O-CG1 3.03Å; E181-I185 PolarHBondContact O-N 3.44Å |
| 182 | Y | 65.6 | Low | 73.7 | Confident | 178 Ų | 178 | 81.4 Ų | 81.4 | 70% | 0.698 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -69.2 | -22 | 179.2 | -71.6 | -105.6 | 0 | 0 | 0 | 113.7 | P179 L180 P186 | P179-Y182 HydrophobicContact CB-CD2 3.74Å; P179-Y182 HydrophobicContact CB-CG 4.2Å; P179-Y182 WeakPolarHBondContact O-CA 3.39Å; P179-Y182 WeakPolarHBondContact O-CB 3.31Å; P179-Y182 PolarHBondContact O-N 2.99Å; L180-Y182 VanDerWaalsContact C-N 3.29Å; L180-Y182 PolarHBondContact O-N 3.39Å; Y182-P186 WeakPolarHBondContact O-CD 3.29Å; Y182-P186 WeakPolarHBondContact O-CG 3.45Å |
| 183 | Y | 74.7 | Confident | 73.3 | Confident | 158 Ų | 158 | 85.7 Ų | 85.7 | 62% | 0.62 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -97 | -33.2 | 175.2 | -68.2 | -67.5 | 0 | 0 | 0 | 113.1 | P179 L180 E181 F187 | P179-Y183 HydrophobicContact CG-CD2 4.29Å; P179-Y183 HydrophobicContact CG-CE2 3.79Å; P179-Y183 WeakPolarHBondContact O-CD2 3.21Å; P179-Y183 PolarHBondContact O-N 3.36Å; L180-Y183 PolarHBondContact O-N 3.13Å; L180-Y183 VanDerWaalsContact O-N 3.14Å; E181-Y183 VanDerWaalsContact C-N 3.29Å; E181-Y183 PolarHBondContact O-N 2.93Å; Y183-F187 WeakPolarHBondContact O-CB 3.36Å; Y183-F187 PolarHBondContact O-N 3.32Å |
| 184 | L | 73.8 | Confident | 73.2 | Confident | 55 Ų | 55 | 87 Ų | 87 | 29% | 0.288 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -73.5 | -40 | 178.8 | -70.8 | 169.3 | 0 | 0 | 0 | 111.9 | F26 L180 E181 F187 L188 | F26-L184 HydrophobicContact CD2-CD2 4.2Å; F26-L184 HydrophobicContact CE2-CD1 4.22Å; F26-L184 HydrophobicContact CE2-CD2 4.35Å; L180-L184 HydrophobicContact CB-CD1 4.09Å; L180-L184 WeakPolarHBondContact O-CB 3.45Å; L180-L184 WeakPolarHBondContact O-CG 3.29Å; L180-L184 PolarHBondContact O-N 2.88Å; E181-L184 PolarHBondContact O-N 3.27Å; L184-F187 PolarHBondContact O-N 3.19Å; L184-L188 WeakPolarHBondContact O-CB 3.41Å; L184-L188 VanDerWaalsContact O-CG 3.29Å; L184-L188 WeakPolarHBondContact O-CG 3.3Å; L184-L188 PolarHBondContact O-N 3.44Å |
| 185 | I | 76.8 | Confident | 73.3 | Confident | 84 Ų | 84 | 91 Ų | 91 | 43% | 0.431 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -61 | -52 | 179.5 | -70.9 | 172.2 | 0 | 0 | 0 | 111.5 | E181 F187 L188 I189 | E181-I185 HydrophobicContact CG-CD1 3.53Å; E181-I185 HydrophobicContact CG-CG1 4.28Å; E181-I185 WeakPolarHBondContact O-CB 3.44Å; E181-I185 VanDerWaalsContact O-CG1 3.29Å; E181-I185 WeakPolarHBondContact O-CG1 3.03Å; E181-I185 PolarHBondContact O-N 3.44Å; I185-F187 VanDerWaalsContact C-N 3.33Å; I185-F187 PolarHBondContact O-N 3.37Å; I185-L188 PolarHBondContact O-N 2.98Å; I185-I189 HydrophobicContact CG2-CD1 3.8Å; I185-I189 VanDerWaalsContact O-CG1 3.29Å; I185-I189 WeakPolarHBondContact O-CG1 3.41Å; I185-I189 PolarHBondContact O-N 3.27Å |
| 186 | P | 75.4 | Confident | 74.1 | Confident | 61 Ų | 61 | 91.4 Ų | 91.4 | 40% | 0.396 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.4 | -38.5 | 174.9 | -25.7 | 36.3 | 0 | 0 | 0 | 113.4 | Y182 I189 I190 | Y182-P186 WeakPolarHBondContact O-CD 3.29Å; Y182-P186 WeakPolarHBondContact O-CG 3.45Å; P186-I189 PolarHBondContact O-N 3.03Å; P186-I190 VanDerWaalsContact O-CG1 3.29Å; P186-I190 WeakPolarHBondContact O-CG1 3.29Å; P186-I190 PolarHBondContact O-N 3.37Å |
| 187 | F | 80 | Confident | 75.4 | Confident | 50 Ų | 50 | 89.4 Ų | 89.4 | 22% | 0.219 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -61.9 | -47.7 | 176.2 | 173 | -103.9 | 0 | 0 | 0 | 112.1 | Q22 Y183 L184 I185 I189 I190 V191 | Q22-F187 HydrophobicContact CB-CE2 4.32Å; Q22-F187 HydrophobicContact CB-CZ 4.18Å; Q22-F187 VanDerWaalsContact CD-CE2 3.41Å; Q22-F187 HydrophobicContact CG-CD1 4.15Å; Q22-F187 HydrophobicContact CG-CD2 4.06Å; Q22-F187 HydrophobicContact CG-CE1 3.79Å; Q22-F187 HydrophobicContact CG-CE2 3.69Å; Q22-F187 HydrophobicContact CG-CG 4.27Å; Q22-F187 HydrophobicContact CG-CZ 3.55Å; Y183-F187 WeakPolarHBondContact O-CB 3.36Å; Y183-F187 PolarHBondContact O-N 3.32Å; L184-F187 PolarHBondContact O-N 3.19Å; I185-F187 VanDerWaalsContact C-N 3.33Å; I185-F187 PolarHBondContact O-N 3.37Å; F187-I189 VanDerWaalsContact C-N 3.31Å; F187-I189 PolarHBondContact O-N 3.43Å; F187-I190 PolarHBondContact O-N 3Å; F187-V191 HydrophobicContact CD1-CG2 4.39Å; F187-V191 HydrophobicContact CD2-CG2 4.23Å; F187-V191 HydrophobicContact CE1-CG2 3.87Å; F187-V191 HydrophobicContact CE2-CG2 3.7Å; F187-V191 HydrophobicContact CZ-CG2 3.49Å; F187-V191 VanDerWaalsContact CZ-CG2 3.49Å; F187-V191 WeakPolarHBondContact O-CG2 3.39Å; F187-V191 PolarHBondContact O-N 3.01Å |
| 188 | L | 80.4 | Confident | 77 | Confident | 111 Ų | 111 | 90.6 Ų | 90.6 | 58% | 0.581 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -63.8 | -35.7 | 178 | -69.6 | 174 | 0 | 0 | 0 | 112.1 | L184 I185 G192 | L184-L188 WeakPolarHBondContact O-CB 3.41Å; L184-L188 VanDerWaalsContact O-CG 3.29Å; L184-L188 WeakPolarHBondContact O-CG 3.3Å; L184-L188 PolarHBondContact O-N 3.44Å; I185-L188 PolarHBondContact O-N 2.98Å; L188-G192 PolarHBondContact O-N 3.32Å |
| 189 | I | 81.6 | Confident | 78.6 | Confident | 99 Ų | 99 | 89.4 Ų | 89.4 | 51% | 0.508 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.5 | -47.8 | 172.7 | -69.9 | 165.4 | 0 | 0 | 0 | 110.8 | I185 P186 F187 G192 I193 | I185-I189 HydrophobicContact CG2-CD1 3.8Å; I185-I189 VanDerWaalsContact O-CG1 3.29Å; I185-I189 WeakPolarHBondContact O-CG1 3.41Å; I185-I189 PolarHBondContact O-N 3.27Å; P186-I189 PolarHBondContact O-N 3.03Å; F187-I189 VanDerWaalsContact C-N 3.31Å; F187-I189 PolarHBondContact O-N 3.43Å; I189-G192 PolarHBondContact O-N 2.97Å; I189-I193 HydrophobicContact CG2-CD1 3.83Å; I189-I193 WeakPolarHBondContact O-CG1 3.33Å; I189-I193 PolarHBondContact O-N 3.21Å |
| 190 | I | 81.8 | Confident | 80.1 | Confident | 103 Ų | 103 | 90.8 Ų | 90.8 | 53% | 0.528 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -60.8 | -47.7 | 178.3 | -69.3 | 163.6 | 0 | 0 | 0 | 110.9 | P186 F187 G192 I193 C194 | P186-I190 VanDerWaalsContact O-CG1 3.29Å; P186-I190 WeakPolarHBondContact O-CG1 3.29Å; P186-I190 PolarHBondContact O-N 3.37Å; F187-I190 PolarHBondContact O-N 3Å; I190-G192 VanDerWaalsContact C-N 3.33Å; I190-G192 PolarHBondContact O-N 2.9Å; I190-I193 PolarHBondContact O-N 2.94Å; I190-C194 PolarHBondContact O-N 3.42Å; I190-C194 PolarHBondContact O-SG 3.33Å; I190-C194 VanDerWaalsContact O-SG 3.37Å |
| 191 | V | 84 | Confident | 81.6 | Confident | 56 Ų | 56 | 94.7 Ų | 94.7 | 34% | 0.339 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.2 | -43 | 176.8 | 172.2 | 0 | 0 | 0 | 0 | 111.3 | F187 C194 L195 | F187-V191 HydrophobicContact CD1-CG2 4.39Å; F187-V191 HydrophobicContact CD2-CG2 4.23Å; F187-V191 HydrophobicContact CE1-CG2 3.87Å; F187-V191 HydrophobicContact CE2-CG2 3.7Å; F187-V191 HydrophobicContact CZ-CG2 3.49Å; F187-V191 VanDerWaalsContact CZ-CG2 3.49Å; F187-V191 WeakPolarHBondContact O-CG2 3.39Å; F187-V191 PolarHBondContact O-N 3.01Å; V191-C194 PolarHBondContact O-N 3.28Å; V191-L195 HydrophobicContact CG1-CD1 4.17Å; V191-L195 WeakPolarHBondContact O-CG 3.37Å; V191-L195 PolarHBondContact O-N 3.31Å |
| 192 | G | 81.7 | Confident | 83.1 | Confident | 26 Ų | 26 | 94.1 Ų | 94.1 | 27% | 0.268 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -59.6 | -45.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L188 I189 I190 L195 I196 | L188-G192 PolarHBondContact O-N 3.32Å; I189-G192 PolarHBondContact O-N 2.97Å; I190-G192 VanDerWaalsContact C-N 3.33Å; I190-G192 PolarHBondContact O-N 2.9Å; G192-L195 PolarHBondContact O-N 3.03Å; G192-I196 VanDerWaalsContact O-CG1 3.3Å; G192-I196 WeakPolarHBondContact O-CG1 3.29Å; G192-I196 PolarHBondContact O-N 2.95Å |
| 193 | I | 84.9 | Confident | 84.4 | Confident | 91 Ų | 91 | 90.3 Ų | 90.3 | 47% | 0.467 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.4 | -45.3 | 176.2 | -68.5 | 165.2 | 0 | 0 | 0 | 110.8 | I189 I190 L195 I196 L197 | I189-I193 HydrophobicContact CG2-CD1 3.83Å; I189-I193 WeakPolarHBondContact O-CG1 3.33Å; I189-I193 PolarHBondContact O-N 3.21Å; I190-I193 PolarHBondContact O-N 2.94Å; I193-L195 VanDerWaalsContact C-N 3.35Å; I193-L195 PolarHBondContact O-N 3.26Å; I193-I196 PolarHBondContact O-N 3.42Å; I193-L197 HydrophobicContact CG2-CD1 3.99Å; I193-L197 HydrophobicContact CG2-CG 4.41Å; I193-L197 WeakPolarHBondContact O-CG 3.35Å; I193-L197 PolarHBondContact O-N 2.94Å |
| 194 | C | 86.8 | Confident | 85.1 | Confident | 65 Ų | 65 | 85.8 Ų | 85.8 | 44% | 0.439 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -59 | -43.5 | 176.5 | -70.3 | 0 | 0 | 0 | 0 | 112.4 | I190 V191 L197 I198 | I190-C194 PolarHBondContact O-N 3.42Å; I190-C194 PolarHBondContact O-SG 3.33Å; I190-C194 VanDerWaalsContact O-SG 3.37Å; V191-C194 PolarHBondContact O-N 3.28Å; C194-L197 PolarHBondContact O-N 2.94Å; C194-I198 VanDerWaalsContact O-CG1 3.3Å; C194-I198 WeakPolarHBondContact O-CG1 3.47Å; C194-I198 PolarHBondContact O-N 3.4Å |
| 195 | L | 87.4 | Confident | 85.9 | Confident | 105 Ų | 105 | 87.7 Ų | 87.7 | 55% | 0.55 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -64.7 | -41.8 | 176.7 | -69.8 | 172.7 | 0 | 0 | 0 | 112.1 | V191 G192 I193 I198 V199 | V191-L195 HydrophobicContact CG1-CD1 4.17Å; V191-L195 WeakPolarHBondContact O-CG 3.37Å; V191-L195 PolarHBondContact O-N 3.31Å; G192-L195 PolarHBondContact O-N 3.03Å; I193-L195 VanDerWaalsContact C-N 3.35Å; I193-L195 PolarHBondContact O-N 3.26Å; L195-I198 PolarHBondContact O-N 2.97Å; L195-V199 WeakPolarHBondContact O-CG2 3.3Å; L195-V199 PolarHBondContact O-N 3.48Å |
| 196 | I | 87 | Confident | 86.7 | Confident | 102 Ų | 102 | 89.9 Ų | 89.9 | 52% | 0.523 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.1 | -44.9 | 176 | -70.5 | 163.8 | 0 | 0 | 0 | 110.8 | G192 I193 I198 V199 I200 | G192-I196 VanDerWaalsContact O-CG1 3.3Å; G192-I196 WeakPolarHBondContact O-CG1 3.29Å; G192-I196 PolarHBondContact O-N 2.95Å; I193-I196 PolarHBondContact O-N 3.42Å; I196-I198 PolarHBondContact O-N 3.31Å; I196-V199 PolarHBondContact O-N 3.39Å; I196-I200 HydrophobicContact CG2-CD1 3.74Å; I196-I200 HydrophobicContact CG2-CG1 4.43Å; I196-I200 VanDerWaalsContact O-CG1 3.31Å; I196-I200 WeakPolarHBondContact O-CG1 3.39Å; I196-I200 PolarHBondContact O-N 3.19Å |
| 197 | L | 88.7 | Confident | 87.3 | Confident | 106 Ų | 106 | 90 Ų | 90 | 56% | 0.555 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -63.1 | -40.5 | 177.4 | -69.8 | 172.4 | 0 | 0 | 0 | 112.3 | I193 C194 I200 F201 | I193-L197 HydrophobicContact CG2-CD1 3.99Å; I193-L197 HydrophobicContact CG2-CG 4.41Å; I193-L197 WeakPolarHBondContact O-CG 3.35Å; I193-L197 PolarHBondContact O-N 2.94Å; C194-L197 PolarHBondContact O-N 2.94Å; L197-I200 PolarHBondContact O-N 2.68Å; L197-F201 WeakPolarHBondContact O-CB 3.31Å; L197-F201 PolarHBondContact O-N 3.39Å |
| 198 | I | 88.6 | Confident | 87.5 | Confident | 95 Ų | 95 | 94 Ų | 94 | 49% | 0.487 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.8 | -43.9 | 174.3 | -69.1 | 164.2 | 0 | 0 | 0 | 110.8 | C194 L195 I196 F201 M202 | C194-I198 VanDerWaalsContact O-CG1 3.3Å; C194-I198 WeakPolarHBondContact O-CG1 3.47Å; C194-I198 PolarHBondContact O-N 3.4Å; L195-I198 PolarHBondContact O-N 2.97Å; I196-I198 PolarHBondContact O-N 3.31Å; I198-F201 PolarHBondContact O-N 2.88Å; I198-M202 HydrophobicContact CG2-SD 4.25Å; I198-M202 WeakPolarHBondContact O-CG 3.3Å; I198-M202 PolarHBondContact O-N 2.92Å |
| 199 | V | 89.7 | Confident | 87.6 | Confident | 80 Ų | 80 | 92.3 Ų | 92.3 | 49% | 0.485 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.2 | -43 | 177.3 | 169.4 | 0 | 0 | 0 | 0 | 111.5 | L195 I196 F201 M202 I203 | L195-V199 WeakPolarHBondContact O-CG2 3.3Å; L195-V199 PolarHBondContact O-N 3.48Å; I196-V199 PolarHBondContact O-N 3.39Å; V199-F201 PolarHBondContact O-N 2.87Å; V199-M202 PolarHBondContact O-N 3.3Å; V199-I203 HydrophobicContact CG1-CD1 3.69Å; V199-I203 HydrophobicContact CG1-CG1 4.38Å; V199-I203 WeakPolarHBondContact O-CB 3.2Å; V199-I203 VanDerWaalsContact O-CG1 3.29Å; V199-I203 WeakPolarHBondContact O-CG1 3.42Å; V199-I203 PolarHBondContact O-N 3.48Å |
| 200 | I | 91.6 | Very high | 87.5 | Confident | 87 Ų | 87 | 94 Ų | 94 | 45% | 0.446 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.6 | -43 | 174.7 | -69.1 | 167.1 | 0 | 0 | 0 | 110.8 | I196 L197 I203 T204 | I196-I200 HydrophobicContact CG2-CD1 3.74Å; I196-I200 HydrophobicContact CG2-CG1 4.43Å; I196-I200 VanDerWaalsContact O-CG1 3.31Å; I196-I200 WeakPolarHBondContact O-CG1 3.39Å; I196-I200 PolarHBondContact O-N 3.19Å; L197-I200 PolarHBondContact O-N 2.68Å; I200-I203 PolarHBondContact O-N 2.91Å; I200-T204 HydrophobicContact CG2-CG2 4.32Å; I200-T204 WeakPolarHBondContact O-CB 3.44Å; I200-T204 WeakPolarHBondContact O-CG2 3.35Å; I200-T204 PolarHBondContact O-N 2.88Å; I200-T204 PolarHBondContact O-OG1 2.66Å |
| 201 | F | 93 | Very high | 87.4 | Confident | 140 Ų | 140 | 93.2 Ų | 93.2 | 61% | 0.614 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -62.7 | -42.4 | 175.3 | -178.8 | -102.2 | 0 | 0 | 0 | 112.3 | L197 I198 V199 T204 K205 | L197-F201 WeakPolarHBondContact O-CB 3.31Å; L197-F201 PolarHBondContact O-N 3.39Å; I198-F201 PolarHBondContact O-N 2.88Å; V199-F201 PolarHBondContact O-N 2.87Å; F201-T204 WeakPolarHBondContact CA-OG1 3.36Å; F201-T204 PolarHBondContact O-OG1 3.28Å; F201-T204 VanDerWaalsContact O-OG1 3.08Å; F201-K205 WeakPolarHBondContact O-CB 3.4Å; F201-K205 PolarHBondContact O-N 3.08Å |
| 202 | M | 90.8 | Very high | 87 | Confident | 124 Ų | 124 | 99 Ų | 99 | 61% | 0.611 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.7 | -42.3 | 175.6 | -73.1 | -176.8 | 70.3 | 0 | 0 | 112.5 | I198 V199 F206 | I198-M202 HydrophobicContact CG2-SD 4.25Å; I198-M202 WeakPolarHBondContact O-CG 3.3Å; I198-M202 PolarHBondContact O-N 2.92Å; V199-M202 PolarHBondContact O-N 3.3Å; M202-F206 VanDerWaalsContact O-CB 3.24Å; M202-F206 WeakPolarHBondContact O-CB 3.29Å; M202-F206 PolarHBondContact O-N 3.23Å |
| 203 | I | 92.9 | Very high | 86.5 | Confident | 99 Ų | 99 | 100.7 Ų | 100.7 | 51% | 0.508 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.9 | -50.3 | 177.7 | -69.4 | 167.8 | 0 | 0 | 0 | 110.6 | V199 I200 K205 F206 V207 | V199-I203 HydrophobicContact CG1-CD1 3.69Å; V199-I203 HydrophobicContact CG1-CG1 4.38Å; V199-I203 WeakPolarHBondContact O-CB 3.2Å; V199-I203 VanDerWaalsContact O-CG1 3.29Å; V199-I203 WeakPolarHBondContact O-CG1 3.42Å; V199-I203 PolarHBondContact O-N 3.48Å; I200-I203 PolarHBondContact O-N 2.91Å; I203-K205 PolarHBondContact O-N 2.7Å; I203-F206 PolarHBondContact O-N 3.21Å; I203-V207 HydrophobicContact CG2-CG2 4.45Å; I203-V207 WeakPolarHBondContact O-CB 3.48Å; I203-V207 VanDerWaalsContact O-CG2 3.31Å; I203-V207 WeakPolarHBondContact O-CG2 3.24Å; I203-V207 PolarHBondContact O-N 3.42Å |
| 204 | T | 90.8 | Very high | 85.7 | Confident | 63 Ų | 63 | 103.8 Ų | 103.8 | 39% | 0.387 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61 | -43.5 | 179 | 49.6 | 0 | 0 | 0 | 0 | 111.5 | I200 F201 V207 Q208 | I200-T204 HydrophobicContact CG2-CG2 4.32Å; I200-T204 WeakPolarHBondContact O-CB 3.44Å; I200-T204 WeakPolarHBondContact O-CG2 3.35Å; I200-T204 PolarHBondContact O-N 2.88Å; I200-T204 PolarHBondContact O-OG1 2.66Å; F201-T204 WeakPolarHBondContact CA-OG1 3.36Å; F201-T204 PolarHBondContact O-OG1 3.28Å; F201-T204 VanDerWaalsContact O-OG1 3.08Å; T204-V207 PolarHBondContact O-N 3.26Å; T204-Q208 WeakPolarHBondContact O-CB 3.16Å; T204-Q208 VanDerWaalsContact O-CG 3.28Å; T204-Q208 WeakPolarHBondContact O-CG 3.28Å; T204-Q208 PolarHBondContact O-N 3.4Å |
| 205 | K | 90.9 | Very high | 84.8 | Confident | 95 Ų | 95 | 109.1 Ų | 109.1 | 41% | 0.413 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.5 | -47.4 | 172.5 | 175.9 | 164.3 | 170.6 | 47.2 | 0 | 112.6 | F201 I203 V207 Q208 D209 | F201-K205 WeakPolarHBondContact O-CB 3.4Å; F201-K205 PolarHBondContact O-N 3.08Å; I203-K205 PolarHBondContact O-N 2.7Å; K205-V207 VanDerWaalsContact C-N 3.3Å; K205-V207 PolarHBondContact O-N 3.47Å; K205-Q208 PolarHBondContact O-N 2.86Å; K205-D209 WeakPolarHBondContact CG-OD2 3.47Å; K205-D209 IonicContact NZ-OD1 2.68Å; K205-D209 IonicContact NZ-OD2 3.1Å; K205-D209 PolarHBondContact NZ-OD2 2.9Å; K205-D209 PolarHBondContact O-N 2.87Å |
| 206 | F | 91.8 | Very high | 83.7 | Confident | 129 Ų | 129 | 107.3 Ų | 107.3 | 57% | 0.566 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.4 | -40 | 178.3 | 177.7 | -99.1 | 0 | 0 | 0 | 112 | M202 I203 R210 | M202-F206 VanDerWaalsContact O-CB 3.24Å; M202-F206 WeakPolarHBondContact O-CB 3.29Å; M202-F206 PolarHBondContact O-N 3.23Å; I203-F206 PolarHBondContact O-N 3.21Å; F206-R210 WeakPolarHBondContact O-CB 3.31Å; F206-R210 PolarHBondContact O-N 3.39Å |
| 207 | V | 89.3 | Confident | 82.9 | Confident | 64 Ų | 64 | 109.1 Ų | 109.1 | 39% | 0.388 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.2 | -49.6 | 173 | 170.3 | 0 | 0 | 0 | 0 | 110.7 | I203 T204 K205 D209 R210 H211 | I203-V207 HydrophobicContact CG2-CG2 4.45Å; I203-V207 WeakPolarHBondContact O-CB 3.48Å; I203-V207 VanDerWaalsContact O-CG2 3.31Å; I203-V207 WeakPolarHBondContact O-CG2 3.24Å; I203-V207 PolarHBondContact O-N 3.42Å; T204-V207 PolarHBondContact O-N 3.26Å; K205-V207 VanDerWaalsContact C-N 3.3Å; K205-V207 PolarHBondContact O-N 3.47Å; V207-D209 PolarHBondContact O-N 3.04Å; V207-R210 CarbonylContact O-C 3.46Å; V207-R210 PolarHBondContact O-N 3.46Å; V207-H211 PolarHBondContact O-CD2 3.36Å; V207-H211 PolarHBondContact O-N 2.84Å |
| 208 | Q | 83.9 | Confident | 82.1 | Confident | 134 Ų | 134 | 105 Ų | 105 | 63% | 0.626 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -58 | -48.5 | 178.2 | -75.1 | 173.6 | 4.6 | 0 | 0 | 112.4 | T204 K205 R210 H211 R212 | T204-Q208 WeakPolarHBondContact O-CB 3.16Å; T204-Q208 VanDerWaalsContact O-CG 3.28Å; T204-Q208 WeakPolarHBondContact O-CG 3.28Å; T204-Q208 PolarHBondContact O-N 3.4Å; K205-Q208 PolarHBondContact O-N 2.86Å; Q208-R210 VanDerWaalsContact C-N 3.32Å; Q208-R210 PolarHBondContact O-N 2.75Å; Q208-H211 PolarHBondContact O-N 2.87Å; Q208-R212 WeakPolarHBondContact O-CB 3.3Å; Q208-R212 PolarHBondContact O-N 3.47Å |
| 209 | D | 81.8 | Confident | 81.4 | Confident | 75 Ų | 75 | 110 Ų | 110 | 40% | 0.401 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.2 | -41.4 | 177.2 | -75.1 | -38 | 0 | 0 | 0 | 111.3 | K205 V207 R212 A213 | K205-D209 WeakPolarHBondContact CG-OD2 3.47Å; K205-D209 IonicContact NZ-OD1 2.68Å; K205-D209 IonicContact NZ-OD2 3.1Å; K205-D209 PolarHBondContact NZ-OD2 2.9Å; K205-D209 PolarHBondContact O-N 2.87Å; V207-D209 PolarHBondContact O-N 3.04Å; D209-R212 PolarHBondContact O-N 3.3Å; D209-A213 WeakPolarHBondContact O-CB 3.36Å; D209-A213 PolarHBondContact O-N 3.42Å |
| 210 | R | 80.6 | Confident | 80.7 | Confident | 134 Ų | 134 | 113.6 Ų | 113.6 | 51% | 0.506 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.6 | -33.9 | 175.7 | -171.2 | 176.4 | -175.6 | 87.4 | -9.2 | 112.7 | F206 V207 Q208 R214 | F206-R210 WeakPolarHBondContact O-CB 3.31Å; F206-R210 PolarHBondContact O-N 3.39Å; V207-R210 CarbonylContact O-C 3.46Å; V207-R210 PolarHBondContact O-N 3.46Å; Q208-R210 VanDerWaalsContact C-N 3.32Å; Q208-R210 PolarHBondContact O-N 2.75Å; R210-R214 VanDerWaalsContact O-CG 3.3Å; R210-R214 WeakPolarHBondContact O-CG 3.46Å; R210-R214 PolarHBondContact O-N 2.92Å |
| 211 | H | 79.2 | Confident | 79.9 | Confident | 88 Ų | 88 | 113.8 Ų | 113.8 | 41% | 0.407 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -73 | -41.1 | 172.8 | -84.4 | -114.4 | 0 | 0 | 0 | 111.7 | V207 Q208 A213 R214 R215 | V207-H211 PolarHBondContact O-CD2 3.36Å; V207-H211 PolarHBondContact O-N 2.84Å; Q208-H211 PolarHBondContact O-N 2.87Å; H211-A213 VanDerWaalsContact C-N 3.34Å; H211-A213 PolarHBondContact O-N 2.67Å; H211-R214 WeakPolarHBondContact O-CA 3.44Å; H211-R214 WeakPolarHBondContact O-CB 3.3Å; H211-R214 PolarHBondContact O-N 3.49Å; H211-R215 WeakPolarHBondContact O-CG 3.3Å; H211-R215 PolarHBondContact O-N 3.2Å |
| 212 | R | 75.9 | Confident | 79.1 | Confident | 177 Ų | 177 | 110.9 Ų | 110.9 | 67% | 0.668 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -59.8 | -43.6 | 174.5 | -167.1 | 176.8 | -172.4 | -127 | 5.2 | 111.4 | Q208 D209 R214 R215 N216 | Q208-R212 WeakPolarHBondContact O-CB 3.3Å; Q208-R212 PolarHBondContact O-N 3.47Å; D209-R212 PolarHBondContact O-N 3.3Å; R212-R214 PolarHBondContact O-N 2.82Å; R212-R215 PolarHBondContact O-N 3.36Å; R212-N216 PolarHBondContact O-N 3.17Å |
| 213 | A | 71.1 | Confident | 78.7 | Confident | 62 Ų | 62 | 105.6 Ų | 105.6 | 51% | 0.512 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.5 | -24.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | D209 H211 R217 | D209-A213 WeakPolarHBondContact O-CB 3.36Å; D209-A213 PolarHBondContact O-N 3.42Å; H211-A213 VanDerWaalsContact C-N 3.34Å; H211-A213 PolarHBondContact O-N 2.67Å; A213-R217 WeakPolarHBondContact O-CD 3.36Å |
| 214 | R | 68.6 | Low | 78 | Confident | 156 Ų | 156 | 108.1 Ų | 108.1 | 59% | 0.589 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -83.4 | -48.7 | 174.4 | -73.8 | 170.1 | 173.2 | -160.7 | -4.9 | 112.4 | R210 H211 R212 N216 R217 | R210-R214 VanDerWaalsContact O-CG 3.3Å; R210-R214 WeakPolarHBondContact O-CG 3.46Å; R210-R214 PolarHBondContact O-N 2.92Å; H211-R214 WeakPolarHBondContact O-CA 3.44Å; H211-R214 WeakPolarHBondContact O-CB 3.3Å; H211-R214 PolarHBondContact O-N 3.49Å; R212-R214 PolarHBondContact O-N 2.82Å; R214-N216 PolarHBondContact O-N 3.21Å; R214-N216 VanDerWaalsContact O-N 3.14Å; R214-R217 PolarHBondContact O-N 2.94Å |
| 215 | R | 67 | Low | 77.5 | Confident | 177 Ų | 177 | 112.5 Ų | 112.5 | 67% | 0.668 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.4 | -22.8 | -175.4 | -67.6 | -171.9 | -168.2 | -168.9 | 4.7 | 114.1 | H211 R212 K276 | H211-R215 WeakPolarHBondContact O-CG 3.3Å; H211-R215 PolarHBondContact O-N 3.2Å; R212-R215 PolarHBondContact O-N 3.36Å; R215-K276 WeakPolarHBondContact O-CE 3.4Å; R215-K276 PolarHBondContact O-NZ 2.81Å |
| 216 | N | 64.4 | Low | 77.1 | Confident | 67 Ų | 67 | 108.9 Ų | 108.9 | 36% | 0.358 | 48% | 0.481 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -10.9 | -174.2 | -73.6 | -7.8 | 0 | 0 | 0 | 115.6 | R212 R214 K276 | R212-N216 PolarHBondContact O-N 3.17Å; R214-N216 PolarHBondContact O-N 3.21Å; R214-N216 VanDerWaalsContact O-N 3.14Å; N216-K276 PolarHBondContact O-N 3.21Å; N216-K276 VanDerWaalsContact O-N 3.16Å |
| 217 | R | 69.6 | Low | 76.8 | Confident | 140 Ų | 140 | 106.6 Ų | 106.6 | 53% | 0.528 | 48% | 0.479 | S | S | . | . | S | Bend | trans | -102.6 | 131.4 | -171.8 | -59.9 | 179.1 | 64.6 | -177.5 | 1.1 | 111.9 | A213 R214 T272 | A213-R217 WeakPolarHBondContact O-CD 3.36Å; R214-R217 PolarHBondContact O-N 2.94Å; R217-T272 PolarHBondContact NE-O 3.19Å; R217-T272 PolarHBondContact NH2-O 3.23Å |
| 218 | L | 71.8 | Confident | 76.7 | Confident | 18 Ų | 18 | 107.3 Ų | 107.3 | 9% | 0.094 | 48% | 0.483 | C | S | . | . | P | Polyproline II helix | trans | -75.9 | 131.9 | 175 | -169 | 62.4 | 0 | 0 | 0 | 110.9 | Q222 L223 L226 L271 K276 V286 | L218-Q222 HydrophobicContact CD1-CB 3.82Å; L218-Q222 HydrophobicContact CG-CB 4.27Å; L218-L223 HydrophobicContact CD2-CB 4.1Å; L218-L223 HydrophobicContact CD2-CD1 4.12Å; L218-L226 HydrophobicContact CD2-CD1 4.4Å; L218-L271 HydrophobicContact CB-CB 4.37Å; L218-L271 WeakPolarHBondContact CB-O 3.49Å; L218-L271 HydrophobicContact CD2-CB 4.15Å; L218-L271 HydrophobicContact CD2-CD1 4.4Å; L218-L271 PolarHBondContact N-O 2.79Å; L218-K276 HydrophobicContact CB-CB 4.47Å; L218-V286 HydrophobicContact CD1-CG2 3.65Å |
| 219 | R | 75.5 | Confident | 76.9 | Confident | 202 Ų | 202 | 104.4 Ų | 104.4 | 76% | 0.762 | 47% | 0.47 | S | S | * | . | P | Polyproline II helix | trans | -64.4 | 139.3 | 171.3 | -73.1 | -172.1 | -178.6 | -125 | 8.6 | 109.9 | D221 Q222 L223 | R219-D221 PolarHBondContact O-N 3.31Å; R219-Q222 HydrophobicContact CB-CG 4.49Å; R219-Q222 PolarHBondContact O-N 3.38Å; R219-L223 PolarHBondContact O-N 2.81Å |
| 220 | K | 74.8 | Confident | 77.3 | Confident | 154 Ų | 154 | 107.4 Ų | 107.4 | 67% | 0.67 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -52.9 | -31 | -179.5 | -70.2 | -173.9 | 177.6 | -177.9 | 0 | 113 | L223 K224 | K220-L223 WeakPolarHBondContact O-CB 3.3Å; K220-L223 PolarHBondContact O-N 3.11Å; K220-K224 WeakPolarHBondContact O-CG 3.39Å; K220-K224 PolarHBondContact O-N 2.96Å; K220-K224 VanDerWaalsContact O-N 3.12Å |
| 221 | D | 74.9 | Confident | 77.7 | Confident | 91 Ų | 91 | 101.7 Ų | 101.7 | 49% | 0.487 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -83.6 | -18.8 | -175.3 | -47.8 | -70.1 | 0 | 0 | 0 | 113.7 | R219 K224 | R219-D221 PolarHBondContact O-N 3.31Å; D221-K224 IonicContact OD1-NZ 2.7Å; D221-K224 PolarHBondContact OD1-NZ 3.41Å |
| 222 | Q | 76.6 | Confident | 78 | Confident | 80 Ų | 80 | 104.2 Ų | 104.2 | 37% | 0.374 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -80.5 | -37.7 | 165.9 | -58.6 | -68.9 | 24.6 | 0 | 0 | 110.4 | L218 R219 K224 K225 | L218-Q222 HydrophobicContact CD1-CB 3.82Å; L218-Q222 HydrophobicContact CG-CB 4.27Å; R219-Q222 HydrophobicContact CB-CG 4.49Å; R219-Q222 PolarHBondContact O-N 3.38Å; Q222-K224 VanDerWaalsContact C-N 3.29Å; Q222-K224 PolarHBondContact O-N 3.31Å; Q222-K225 WeakPolarHBondContact O-CB 3.31Å; Q222-K225 PolarHBondContact O-N 3.27Å; Q222-K225 VanDerWaalsContact O-N 3.07Å |
| 223 | L | 80.9 | Confident | 78.3 | Confident | 13 Ų | 13 | 104.3 Ų | 104.3 | 7% | 0.068 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -57 | -40 | 173.5 | -177.6 | 80.3 | 0 | 0 | 0 | 112.3 | L218 R219 K220 K225 L226 R254 D268 L271 T272 | L218-L223 HydrophobicContact CD2-CB 4.1Å; L218-L223 HydrophobicContact CD2-CD1 4.12Å; R219-L223 PolarHBondContact O-N 2.81Å; K220-L223 WeakPolarHBondContact O-CB 3.3Å; K220-L223 PolarHBondContact O-N 3.11Å; L223-K225 PolarHBondContact O-N 3.45Å; L223-L226 HydrophobicContact CD1-CD1 4.28Å; L223-L226 PolarHBondContact O-N 3.47Å; L223-R254 PolarHBondContact O-NH1 2.88Å; L223-D268 HydrophobicContact CD2-CB 3.91Å; L223-L271 HydrophobicContact CD1-CB 4.07Å; L223-L271 HydrophobicContact CD1-CD1 3.66Å; L223-T272 HydrophobicContact CD2-CG2 3.75Å |
| 224 | K | 78 | Confident | 78.6 | Confident | 152 Ų | 152 | 105 Ų | 105 | 66% | 0.661 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -23.2 | 175.7 | -74.3 | 171.8 | -168.5 | 164.4 | 0 | 114.4 | K220 D221 Q222 | K220-K224 WeakPolarHBondContact O-CG 3.39Å; K220-K224 PolarHBondContact O-N 2.96Å; K220-K224 VanDerWaalsContact O-N 3.12Å; D221-K224 IonicContact OD1-NZ 2.7Å; D221-K224 PolarHBondContact OD1-NZ 3.41Å; Q222-K224 VanDerWaalsContact C-N 3.29Å; Q222-K224 PolarHBondContact O-N 3.31Å |
| 225 | K | 80.4 | Confident | 79.3 | Confident | 154 Ų | 154 | 99.6 Ų | 99.6 | 67% | 0.67 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -14.1 | -178.1 | -60.8 | 177.3 | -175.2 | 172.6 | 0 | 113.6 | Q222 L223 | Q222-K225 WeakPolarHBondContact O-CB 3.31Å; Q222-K225 PolarHBondContact O-N 3.27Å; Q222-K225 VanDerWaalsContact O-N 3.07Å; L223-K225 PolarHBondContact O-N 3.45Å |
| 226 | L | 82.9 | Confident | 80 | Confident | 19 Ų | 19 | 99.6 Ų | 99.6 | 10% | 0.099 | 48% | 0.477 | C | S | . | . | S | Bend | trans | -74.6 | 135 | -179.1 | -65.3 | 170.3 | 0 | 0 | 0 | 110.2 | L218 L223 R254 L256 P257 L271 V285 | L218-L226 HydrophobicContact CD2-CD1 4.4Å; L223-L226 HydrophobicContact CD1-CD1 4.28Å; L223-L226 PolarHBondContact O-N 3.47Å; L226-R254 HydrophobicContact CB-CG 4.05Å; L226-R254 PolarHBondContact O-NH1 3.16Å; L226-L256 HydrophobicContact CD1-CD2 4.32Å; L226-P257 HydrophobicContact CD2-CG 4.17Å; L226-L271 HydrophobicContact CD1-CD1 4.2Å; L226-V285 HydrophobicContact CD1-CG1 3.52Å; L226-V285 HydrophobicContact CD2-CG1 3.95Å; L226-V285 HydrophobicContact CG-CG1 4.39Å |
| 227 | P | 85.3 | Confident | 80.9 | Confident | 81 Ų | 81 | 99.3 Ų | 99.3 | 53% | 0.526 | 47% | 0.471 | S | S | . | . | trans | -52.3 | 140.7 | -177.9 | -27.9 | 34.9 | 0 | 0 | 0 | 113.5 | R254 I255 | P227-R254 WeakPolarHBondContact O-CA 3.36Å; P227-I255 PolarHBondContact O-N 2.79Å; P227-I255 VanDerWaalsContact O-N 3.08Å | ||
| 228 | V | 88.1 | Confident | 81.5 | Confident | 79 Ų | 79 | 98.4 Ų | 98.4 | 48% | 0.479 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 113 | 173.3 | 179.8 | 0 | 0 | 0 | 0 | 108.7 | K252 L253 | V228-K252 HydrophobicContact CG1-CB 4.35Å; V228-L253 CarbonylContact C-O 3.52Å; V228-L253 VanDerWaalsContact CA-O 3.23Å; V228-L253 WeakPolarHBondContact CA-O 3.25Å |
| 229 | H | 88.2 | Confident | 82.4 | Confident | 73 Ų | 73 | 101 Ų | 101 | 34% | 0.338 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 158.4 | 169.5 | -157.6 | -120.3 | 0 | 0 | 0 | 110.6 | D235 L253 I255 | H229-D235 IonicContact CE1-OD1 3.54Å; H229-D235 IonicContact CE1-OD2 3.1Å; H229-D235 PolarHBondContact CE1-OD2 2.81Å; H229-D235 IonicContact ND1-OD2 3.1Å; H229-D235 PolarHBondContact ND1-OD2 3.44Å; H229-D235 VanDerWaalsContact ND1-OD2 3.1Å; H229-L253 HydrophobicContact CB-CB 4.48Å; H229-L253 PolarHBondContact N-O 2.85Å; H229-L253 PolarHBondContact O-N 2.99Å; H229-I255 HydrophobicContact CB-CD1 4.12Å |
| 230 | K | 88.8 | Confident | 83.1 | Confident | 139 Ų | 139 | 91.4 Ų | 91.4 | 60% | 0.604 | 46% | 0.457 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 114.6 | 161.9 | -76.5 | -173.4 | 179 | -177.3 | 0 | 107 | D251 | K230-D251 CarbonylContact C-O 3.4Å; K230-D251 VanDerWaalsContact CA-O 3.27Å; K230-D251 WeakPolarHBondContact CA-O 3.24Å |
| 231 | F | 89.1 | Confident | 83.8 | Confident | 14 Ų | 14 | 86.5 Ų | 86.5 | 6% | 0.061 | 45% | 0.445 | C | S | . | . | trans | -56.2 | 141 | -177.9 | -178.9 | -105.5 | 0 | 0 | 0 | 111.4 | D235 Y237 Y247 E248 G250 D251 L253 | F231-D235 VanDerWaalsContact CA-OD2 3.31Å; F231-D235 WeakPolarHBondContact CA-OD2 3.41Å; F231-D235 HydrophobicContact CD2-CB 3.91Å; F231-D235 WeakPolarHBondContact CD2-OD2 3.46Å; F231-D235 HydrophobicContact CE2-CB 3.81Å; F231-Y237 WeakPolarHBondContact CE2-O 3.49Å; F231-Y247 HydrophobicContact CD2-CD2 4.49Å; F231-Y247 HydrophobicContact CD2-CG 4.43Å; F231-Y247 WeakPolarHBondContact CE1-O 3.22Å; F231-E248 WeakPolarHBondContact CD1-O 3.41Å; F231-G250 PolarHBondContact O-N 3.14Å; F231-D251 HydrophobicContact CB-CB 4.2Å; F231-D251 PolarHBondContact N-O 3.26Å; F231-L253 HydrophobicContact CB-CD1 4Å; F231-L253 HydrophobicContact CB-CG 4.13Å; F231-L253 HydrophobicContact CD2-CD1 4.09Å; F231-L253 HydrophobicContact CG-CD1 4.43Å | ||
| 232 | K | 87.2 | Confident | 84.5 | Confident | 140 Ų | 140 | 85.3 Ų | 85.3 | 61% | 0.609 | 44% | 0.438 | S | S | * | . | trans | -131.2 | 143.6 | 165.8 | -66.5 | 179.2 | -177.5 | 175.1 | 0 | 109.3 | G234 D235 D249 | K232-G234 PolarHBondContact O-N 3.01Å; K232-D235 PolarHBondContact N-OD2 3.32Å; K232-D235 VanDerWaalsContact O-CG 3.31Å; K232-D235 PolarHBondContact O-N 2.85Å; K232-D249 WeakPolarHBondContact CA-OD1 3.29Å | ||
| 233 | K | 80.9 | Confident | 85.2 | Confident | 180 Ų | 180 | 83.7 Ų | 83.7 | 78% | 0.783 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | 102.7 | 174.8 | -167.5 | 164.9 | -167.8 | 157.6 | 0 | 111.3 | D249 | K233-D249 PolarHBondContact N-OD1 2.9Š|
| 234 | G | 78.2 | Confident | 85.6 | Confident | 76 Ų | 76 | 89.5 Ų | 89.5 | 78% | 0.784 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 123.4 | -1.8 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | K232 | K232-G234 PolarHBondContact O-N 3.01Š|
| 235 | D | 83.8 | Confident | 86.2 | Confident | 43 Ų | 43 | 86.7 Ų | 86.7 | 23% | 0.23 | 46% | 0.458 | C | S | . | . | S | Bend | trans | -67.2 | 160.9 | 165.8 | -65.5 | -22.5 | 0 | 0 | 0 | 111.5 | H229 F231 K232 Y237 | H229-D235 IonicContact CE1-OD1 3.54Å; H229-D235 IonicContact CE1-OD2 3.1Å; H229-D235 PolarHBondContact CE1-OD2 2.81Å; H229-D235 IonicContact ND1-OD2 3.1Å; H229-D235 PolarHBondContact ND1-OD2 3.44Å; H229-D235 VanDerWaalsContact ND1-OD2 3.1Å; F231-D235 VanDerWaalsContact CA-OD2 3.31Å; F231-D235 WeakPolarHBondContact CA-OD2 3.41Å; F231-D235 HydrophobicContact CD2-CB 3.91Å; F231-D235 WeakPolarHBondContact CD2-OD2 3.46Å; F231-D235 HydrophobicContact CE2-CB 3.81Å; K232-D235 PolarHBondContact N-OD2 3.32Å; K232-D235 VanDerWaalsContact O-CG 3.31Å; K232-D235 PolarHBondContact O-N 2.85Å; D235-Y237 HydrophobicContact CB-CD2 4.43Å; D235-Y237 PolarHBondContact O-N 2.79Å |
| 236 | E | 81.5 | Confident | 86.7 | Confident | 177 Ų | 177 | 86.8 Ų | 86.8 | 83% | 0.827 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -73 | 16.5 | -177.3 | -55.5 | 179.7 | 144.2 | 0 | 0 | 115.6 | ||
| 237 | Y | 82.8 | Confident | 87 | Confident | 60 Ų | 60 | 86.7 Ų | 86.7 | 24% | 0.235 | 46% | 0.459 | C | S | . | . | trans | -136.7 | 119.3 | -173 | -47.4 | -88.1 | 0 | 0 | 0 | 110.5 | F231 D235 Y247 I255 S259 A261 | F231-Y237 WeakPolarHBondContact CE2-O 3.49Å; D235-Y237 HydrophobicContact CB-CD2 4.43Å; D235-Y237 PolarHBondContact O-N 2.79Å; Y237-Y247 VanDerWaalsContact O-CD2 3.3Å; Y237-Y247 WeakPolarHBondContact O-CD2 3.46Å; Y237-I255 HydrophobicContact CE2-CD1 4.43Å; Y237-S259 WeakPolarHBondContact CE1-O 3.5Å; Y237-A261 HydrophobicContact CD1-CB 3.48Å; Y237-A261 VanDerWaalsContact CD1-CB 3.48Å; Y237-A261 HydrophobicContact CD2-CB 4.35Å; Y237-A261 HydrophobicContact CE1-CB 3.7Å; Y237-A261 HydrophobicContact CG-CB 3.83Å | ||
| 238 | D | 82.3 | Confident | 87.2 | Confident | 121 Ų | 121 | 90.1 Ų | 90.1 | 65% | 0.647 | 47% | 0.468 | S | S | * | . | trans | -100.8 | -37.3 | -175.5 | -56.9 | -64.2 | 0 | 0 | 0 | 114.5 | E246 Y247 | D238-E246 WeakPolarHBondContact O-CA 3.43Å; D238-Y247 WeakPolarHBondContact O-CD2 3.47Å; D238-Y247 PolarHBondContact O-N 2.9Å | ||
| 239 | V | 89.9 | Confident | 87.1 | Confident | 74 Ų | 74 | 91.7 Ų | 91.7 | 45% | 0.448 | 47% | 0.474 | S | S | . | . | B | Isolated β-bridge | trans | -134.8 | 144.6 | -168.1 | 177.4 | 0 | 0 | 0 | 0 | 112.8 | E246 Y247 | V239-E246 HydrophobicContact CG2-CG 4.09Å; V239-Y247 VanDerWaalsContact C-CE2 3.41Å; V239-Y247 WeakPolarHBondContact O-CE2 3.21Å; V239-Y247 PolarHBondContact O-OH 3.36Å |
| 240 | C | 91.4 | Very high | 86.9 | Confident | 0 Ų | 0 | 90.3 Ų | 90.3 | 0% | 0 | 48% | 0.479 | C | S | . | . | trans | -88 | 107 | 175 | -173.3 | 0 | 0 | 0 | 0 | 112.9 | I242 C243 L244 D245 Y247 H263 | C240-I242 PolarHBondContact O-N 3Å; C240-C243 PolarHBondContact O-N 2.99Å; C240-L244 VanDerWaalsContact O-CA 3.3Å; C240-L244 WeakPolarHBondContact O-CA 3.45Å; C240-L244 PolarHBondContact O-N 2.92Å; C240-D245 PolarHBondContact N-O 3.19Å; C240-Y247 WeakPolarHBondContact CA-OH 3.33Å; C240-Y247 HydrophobicContact CB-CD1 4.46Å; C240-Y247 HydrophobicContact CB-CE1 3.57Å; C240-H263 WeakPolarHBondContact CB-ND1 3.39Å; C240-H263 PolarHBondContact SG-ND1 3.48Å | ||
| 241 | A | 89.3 | Confident | 86.9 | Confident | 51 Ų | 51 | 85.3 Ų | 85.3 | 42% | 0.421 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | 22.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | Y262 V280 | A241-Y262 HydrophobicContact CB-CE1 4.13Å; A241-V280 HydrophobicContact CB-CG2 3.91Å |
| 242 | I | 88.9 | Confident | 87 | Confident | 66 Ų | 66 | 90.7 Ų | 90.7 | 34% | 0.338 | 48% | 0.482 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.7 | -41.7 | 171.1 | -62.5 | 168.3 | 0 | 0 | 0 | 111.8 | C240 Y262 C266 V267 P279 | C240-I242 PolarHBondContact O-N 3Å; I242-Y262 HydrophobicContact CD1-CD1 3.47Å; I242-Y262 VanDerWaalsContact CD1-CD1 3.47Å; I242-Y262 HydrophobicContact CD1-CE1 4.05Å; I242-Y262 HydrophobicContact CD1-CG 3.96Å; I242-Y262 HydrophobicContact CG1-CD1 3.59Å; I242-Y262 HydrophobicContact CG1-CE1 3.91Å; I242-C266 HydrophobicContact CB-CB 3.92Å; I242-C266 HydrophobicContact CD1-CB 4.03Å; I242-C266 HydrophobicContact CG2-CB 3.79Å; I242-V267 HydrophobicContact CD1-CB 3.79Å; I242-V267 HydrophobicContact CD1-CG2 4.16Å; I242-P279 HydrophobicContact CD1-CG 4Å; I242-P279 HydrophobicContact CG1-CB 4.49Å; I242-P279 HydrophobicContact CG1-CG 4.13Å |
| 243 | C | 90.4 | Very high | 87.2 | Confident | 45 Ų | 45 | 84.1 Ų | 84.1 | 30% | 0.304 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | -14.1 | 177 | 50.9 | 0 | 0 | 0 | 0 | 113.6 | C240 D245 H263 | C240-C243 PolarHBondContact O-N 2.99Å; C243-D245 WeakPolarHBondContact CB-OD2 3.43Å; C243-D245 PolarHBondContact O-N 3.15Å; C243-D245 PolarHBondContact SG-OD2 3.41Å; C243-H263 PolarHBondContact SG-ND1 3.38Å |
| 244 | L | 89.3 | Confident | 87.7 | Confident | 135 Ų | 135 | 76.2 Ų | 76.2 | 71% | 0.707 | 42% | 0.419 | S | S | * | . | trans | 69.3 | 10.4 | -178.4 | -47.1 | 179.3 | 0 | 0 | 0 | 114.9 | C240 | C240-L244 VanDerWaalsContact O-CA 3.3Å; C240-L244 WeakPolarHBondContact O-CA 3.45Å; C240-L244 PolarHBondContact O-N 2.92Å | ||
| 245 | D | 91.8 | Very high | 88.2 | Confident | 93 Ų | 93 | 74.3 Ų | 74.3 | 50% | 0.497 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -77.1 | 146.9 | 172.5 | -50.5 | -57.4 | 0 | 0 | 0 | 111.9 | C240 C243 | C240-D245 PolarHBondContact N-O 3.19Å; C243-D245 WeakPolarHBondContact CB-OD2 3.43Å; C243-D245 PolarHBondContact O-N 3.15Å; C243-D245 PolarHBondContact SG-OD2 3.41Å |
| 246 | E | 90.3 | Very high | 88.5 | Confident | 157 Ų | 157 | 72.4 Ų | 72.4 | 73% | 0.734 | 38% | 0.381 | S | S | * | . | B | Isolated β-bridge | trans | -66.1 | 158.3 | 164.8 | -69.5 | 176 | -162.4 | 0 | 0 | 111.2 | D238 V239 | D238-E246 WeakPolarHBondContact O-CA 3.43Å; V239-E246 HydrophobicContact CG2-CG 4.09Å |
| 247 | Y | 89.9 | Confident | 88.8 | Confident | 17 Ų | 17 | 67.9 Ų | 67.9 | 7% | 0.067 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -88.4 | 133.7 | 178.7 | -63.5 | -58.2 | 0 | 0 | 0 | 113.4 | F231 Y237 D238 V239 C240 L253 A261 Y262 H263 | F231-Y247 HydrophobicContact CD2-CD2 4.49Å; F231-Y247 HydrophobicContact CD2-CG 4.43Å; F231-Y247 WeakPolarHBondContact CE1-O 3.22Å; Y237-Y247 VanDerWaalsContact O-CD2 3.3Å; Y237-Y247 WeakPolarHBondContact O-CD2 3.46Å; D238-Y247 WeakPolarHBondContact O-CD2 3.47Å; D238-Y247 PolarHBondContact O-N 2.9Å; V239-Y247 VanDerWaalsContact C-CE2 3.41Å; V239-Y247 WeakPolarHBondContact O-CE2 3.21Å; V239-Y247 PolarHBondContact O-OH 3.36Å; C240-Y247 WeakPolarHBondContact CA-OH 3.33Å; C240-Y247 HydrophobicContact CB-CD1 4.46Å; C240-Y247 HydrophobicContact CB-CE1 3.57Å; Y247-L253 HydrophobicContact CD1-CD1 4.14Å; Y247-L253 HydrophobicContact CD1-CD2 3.35Å; Y247-L253 HydrophobicContact CD1-CG 4.39Å; Y247-L253 HydrophobicContact CD2-CD1 4.09Å; Y247-L253 HydrophobicContact CE1-CD1 4.09Å; Y247-L253 HydrophobicContact CE1-CD2 3.26Å; Y247-L253 HydrophobicContact CE1-CG 4.31Å; Y247-L253 HydrophobicContact CE2-CD1 4.06Å; Y247-L253 HydrophobicContact CG-CD1 4.12Å; Y247-L253 HydrophobicContact CG-CD2 4.11Å; Y247-A261 PolarHBondContact OH-O 3.06Å; Y247-A261 VanDerWaalsContact OH-O 3.09Å; Y247-Y262 WeakPolarHBondContact OH-CA 3.15Å; Y247-H263 AromaticContact CD1-CE1 3.64Å; Y247-H263 AromaticContact CD1-NE2 3.51Å; Y247-H263 AromaticContact CE1-CE1 3.68Å; Y247-H263 AromaticContact CE1-ND1 3.83Å; Y247-H263 AromaticContact CE1-NE2 3.85Å |
| 248 | E | 88.6 | Confident | 89 | Confident | 152 Ų | 152 | 65.7 Ų | 65.7 | 71% | 0.71 | 36% | 0.36 | S | S | * | . | P | Polyproline II helix | trans | -99.2 | 148.8 | 178.5 | -65.4 | -170.8 | 159.7 | 0 | 0 | 113 | F231 G250 D251 | F231-E248 WeakPolarHBondContact CD1-O 3.41Å; E248-G250 PolarHBondContact O-N 3.11Å; E248-G250 VanDerWaalsContact O-N 3.09Å; E248-D251 WeakPolarHBondContact O-CB 3.48Å; E248-D251 PolarHBondContact O-N 3.49Å |
| 249 | D | 86.6 | Confident | 89.3 | Confident | 113 Ų | 113 | 63.7 Ų | 63.7 | 60% | 0.604 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | 117.5 | -178.7 | -88.7 | -56.4 | 0 | 0 | 0 | 112.6 | K232 K233 | K232-D249 WeakPolarHBondContact CA-OD1 3.29Å; K233-D249 PolarHBondContact N-OD1 2.9Å |
| 250 | G | 84.6 | Confident | 89.3 | Confident | 44 Ų | 44 | 63 Ų | 63 | 45% | 0.454 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.8 | -0.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | F231 E248 | F231-G250 PolarHBondContact O-N 3.14Å; E248-G250 PolarHBondContact O-N 3.11Å; E248-G250 VanDerWaalsContact O-N 3.09Å |
| 251 | D | 88.9 | Confident | 89.3 | Confident | 33 Ų | 33 | 63.4 Ų | 63.4 | 18% | 0.176 | 35% | 0.351 | C | S | . | . | trans | -60.4 | 148.6 | 178.9 | -127.7 | -32.6 | 0 | 0 | 0 | 113 | K230 F231 E248 L253 H263 | K230-D251 CarbonylContact C-O 3.4Å; K230-D251 VanDerWaalsContact CA-O 3.27Å; K230-D251 WeakPolarHBondContact CA-O 3.24Å; F231-D251 HydrophobicContact CB-CB 4.2Å; F231-D251 PolarHBondContact N-O 3.26Å; E248-D251 WeakPolarHBondContact O-CB 3.48Å; E248-D251 PolarHBondContact O-N 3.49Å; D251-L253 HydrophobicContact CB-CD2 4.17Å; D251-L253 PolarHBondContact O-N 2.92Å; D251-H263 IonicContact OD1-CD2 3.81Å; D251-H263 PolarHBondContact OD1-CD2 2.73Å; D251-H263 IonicContact OD1-NE2 2.66Å; D251-H263 IonicContact OD2-CD2 2.73Å; D251-H263 PolarHBondContact OD2-CD2 3.15Å; D251-H263 IonicContact OD2-CE1 2.7Å; D251-H263 IonicContact OD2-NE2 3.57Å; D251-H263 PolarHBondContact OD2-NE2 3.35Å | ||
| 252 | K | 91.2 | Very high | 89.5 | Confident | 128 Ų | 128 | 61 Ų | 61 | 56% | 0.557 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 101.9 | -177 | -67.9 | -179.8 | -175.2 | 173.6 | 0 | 110.4 | V228 C264 | V228-K252 HydrophobicContact CG1-CB 4.35Å; K252-C264 PolarHBondContact O-N 2.88Å; K252-C264 PolarHBondContact O-SG 2.87Å |
| 253 | L | 90.9 | Very high | 89.7 | Confident | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 129.5 | -178.9 | -49.2 | -166.7 | 0 | 0 | 0 | 110.3 | V228 H229 F231 Y247 D251 A261 Y262 | V228-L253 CarbonylContact C-O 3.52Å; V228-L253 VanDerWaalsContact CA-O 3.23Å; V228-L253 WeakPolarHBondContact CA-O 3.25Å; H229-L253 HydrophobicContact CB-CB 4.48Å; H229-L253 PolarHBondContact N-O 2.85Å; H229-L253 PolarHBondContact O-N 2.99Å; F231-L253 HydrophobicContact CB-CD1 4Å; F231-L253 HydrophobicContact CB-CG 4.13Å; F231-L253 HydrophobicContact CD2-CD1 4.09Å; F231-L253 HydrophobicContact CG-CD1 4.43Å; Y247-L253 HydrophobicContact CD1-CD1 4.14Å; Y247-L253 HydrophobicContact CD1-CD2 3.35Å; Y247-L253 HydrophobicContact CD1-CG 4.39Å; Y247-L253 HydrophobicContact CD2-CD1 4.09Å; Y247-L253 HydrophobicContact CE1-CD1 4.09Å; Y247-L253 HydrophobicContact CE1-CD2 3.26Å; Y247-L253 HydrophobicContact CE1-CG 4.31Å; Y247-L253 HydrophobicContact CE2-CD1 4.06Å; Y247-L253 HydrophobicContact CG-CD1 4.12Å; Y247-L253 HydrophobicContact CG-CD2 4.11Å; D251-L253 HydrophobicContact CB-CD2 4.17Å; D251-L253 PolarHBondContact O-N 2.92Å; L253-A261 HydrophobicContact CD1-CB 4.44Å; L253-Y262 CarbonylContact C-O 3.53Å; L253-Y262 VanDerWaalsContact CA-O 3.28Å; L253-Y262 WeakPolarHBondContact CA-O 3.3Å |
| 254 | R | 90.3 | Very high | 89.7 | Confident | 14 Ų | 14 | 57.2 Ų | 57.2 | 5% | 0.053 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 124.9 | 166.8 | -176.5 | 178.2 | -54.8 | -63.8 | 2 | 109.1 | L223 L226 P227 L256 A261 Y262 V267 D268 | L223-R254 PolarHBondContact O-NH1 2.88Å; L226-R254 HydrophobicContact CB-CG 4.05Å; L226-R254 PolarHBondContact O-NH1 3.16Å; P227-R254 WeakPolarHBondContact O-CA 3.36Å; R254-L256 HydrophobicContact CG-CD2 4.35Å; R254-A261 WeakPolarHBondContact O-CA 3.11Å; R254-Y262 PolarHBondContact N-O 2.77Å; R254-Y262 PolarHBondContact O-N 3.09Å; R254-Y262 VanDerWaalsContact O-N 3.12Å; R254-V267 HydrophobicContact CB-CG1 3.89Å; R254-V267 HydrophobicContact CG-CG1 4.43Å; R254-D268 IonicContact CZ-OD1 3.85Å; R254-D268 VanDerWaalsContact CZ-OD1 3.29Å; R254-D268 IonicContact CZ-OD2 3.35Å; R254-D268 IonicContact NE-OD1 3.99Å; R254-D268 PolarHBondContact NE-OD1 3.49Å; R254-D268 IonicContact NE-OD2 3.15Å; R254-D268 VanDerWaalsContact NH2-CG 3.33Å; R254-D268 IonicContact NH2-OD1 2.84Å; R254-D268 PolarHBondContact NH2-OD1 2.91Å; R254-D268 IonicContact NH2-OD2 3.29Å; R254-D268 PolarHBondContact NH2-OD2 2.75Å |
| 255 | I | 90 | Very high | 89.7 | Confident | 37 Ų | 37 | 59 Ų | 59 | 19% | 0.19 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 127.1 | 174.5 | -56.7 | 175.6 | 0 | 0 | 0 | 107.8 | P227 H229 Y237 A261 | P227-I255 PolarHBondContact O-N 2.79Å; P227-I255 VanDerWaalsContact O-N 3.08Å; H229-I255 HydrophobicContact CB-CD1 4.12Å; Y237-I255 HydrophobicContact CE2-CD1 4.43Å; I255-A261 HydrophobicContact CG1-CB 4.17Å |
| 256 | L | 90.1 | Very high | 89.5 | Confident | 3 Ų | 3 | 56.1 Ų | 56.1 | 2% | 0.016 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -85.3 | 162.1 | 176.3 | -56 | -173.5 | 0 | 0 | 0 | 110.7 | L226 R254 C258 S259 H260 Y262 V267 L271 C278 V285 | L226-L256 HydrophobicContact CD1-CD2 4.32Å; R254-L256 HydrophobicContact CG-CD2 4.35Å; L256-C258 PolarHBondContact O-N 2.99Å; L256-S259 WeakPolarHBondContact O-CA 3.37Å; L256-S259 PolarHBondContact O-N 2.83Å; L256-H260 PolarHBondContact N-O 3.32Å; L256-Y262 HydrophobicContact CD1-CD2 4.12Å; L256-Y262 HydrophobicContact CD1-CE2 3.62Å; L256-Y262 HydrophobicContact CG-CD2 4.23Å; L256-Y262 HydrophobicContact CG-CE2 4.09Å; L256-V267 HydrophobicContact CD1-CG2 4.48Å; L256-V267 HydrophobicContact CD2-CG2 4.47Å; L256-L271 HydrophobicContact CD2-CD1 4.02Å; L256-C278 HydrophobicContact CD1-CB 3.98Å; L256-V285 HydrophobicContact CD1-CG2 3.97Å; L256-V285 HydrophobicContact CD2-CG1 4.06Å; L256-V285 HydrophobicContact CD2-CG2 4.31Å |
| 257 | P | 86.4 | Confident | 89.5 | Confident | 81 Ų | 81 | 48.7 Ų | 48.7 | 53% | 0.526 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -14.5 | 179.1 | -24.5 | 35.8 | 0 | 0 | 0 | 114.7 | L226 S259 V285 | L226-P257 HydrophobicContact CD2-CG 4.17Å; P257-S259 VanDerWaalsContact C-N 3.32Å; P257-V285 WeakPolarHBondContact CG-O 3.31Å |
| 258 | C | 88.4 | Confident | 89.4 | Confident | 15 Ų | 15 | 49.6 Ų | 49.6 | 10% | 0.101 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 30 | 173.1 | 62.2 | 0 | 0 | 0 | 0 | 112.7 | L256 H260 C281 Q283 | L256-C258 PolarHBondContact O-N 2.99Å; C258-H260 PolarHBondContact O-N 3.49Å; C258-H260 PolarHBondContact O-ND1 2.99Å; C258-C281 VanDerWaalsContact SG-SG 3.62Å; C258-Q283 HydrophobicContact CB-CB 4.33Å; C258-Q283 HydrophobicContact CB-CG 4.48Å |
| 259 | S | 88.1 | Confident | 89.3 | Confident | 78 Ų | 78 | 44.8 Ų | 44.8 | 55% | 0.545 | 25% | 0.251 | S | S | . | . | S | Bend | trans | 52.4 | -10.7 | -175.8 | 62.2 | 0 | 0 | 0 | 0 | 119.1 | Y237 L256 P257 A261 | Y237-S259 WeakPolarHBondContact CE1-O 3.5Å; L256-S259 WeakPolarHBondContact O-CA 3.37Å; L256-S259 PolarHBondContact O-N 2.83Å; P257-S259 VanDerWaalsContact C-N 3.32Å; S259-A261 PolarHBondContact O-N 3.02Å |
| 260 | H | 90.5 | Very high | 89.3 | Confident | 59 Ų | 59 | 43.4 Ų | 43.4 | 27% | 0.273 | 24% | 0.237 | S | C | . | . | trans | -64.2 | 126.4 | 179.1 | -69.6 | 65.4 | 0 | 0 | 0 | 111.6 | L256 C258 Y262 V280 | L256-H260 PolarHBondContact N-O 3.32Å; C258-H260 PolarHBondContact O-N 3.49Å; C258-H260 PolarHBondContact O-ND1 2.99Å; H260-Y262 HydrophobicContact CB-CE2 3.61Å; H260-V280 WeakPolarHBondContact NE2-CG1 3.45Å | ||
| 261 | A | 90.9 | Very high | 89.4 | Confident | 10 Ų | 10 | 41.3 Ų | 41.3 | 8% | 0.083 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 146.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y237 Y247 L253 R254 I255 S259 | Y237-A261 HydrophobicContact CD1-CB 3.48Å; Y237-A261 VanDerWaalsContact CD1-CB 3.48Å; Y237-A261 HydrophobicContact CD2-CB 4.35Å; Y237-A261 HydrophobicContact CE1-CB 3.7Å; Y237-A261 HydrophobicContact CG-CB 3.83Å; Y247-A261 PolarHBondContact OH-O 3.06Å; Y247-A261 VanDerWaalsContact OH-O 3.09Å; L253-A261 HydrophobicContact CD1-CB 4.44Å; R254-A261 WeakPolarHBondContact O-CA 3.11Å; I255-A261 HydrophobicContact CG1-CB 4.17Å; S259-A261 PolarHBondContact O-N 3.02Å |
| 262 | Y | 93.3 | Very high | 89 | Confident | 1 Ų | 1 | 40.8 Ų | 40.8 | 0% | 0.004 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 154 | 176.9 | -55.2 | -90.6 | 0 | 0 | 0 | 109.8 | A241 I242 Y247 L253 R254 L256 H260 C264 V267 C278 P279 V280 | A241-Y262 HydrophobicContact CB-CE1 4.13Å; I242-Y262 HydrophobicContact CD1-CD1 3.47Å; I242-Y262 VanDerWaalsContact CD1-CD1 3.47Å; I242-Y262 HydrophobicContact CD1-CE1 4.05Å; I242-Y262 HydrophobicContact CD1-CG 3.96Å; I242-Y262 HydrophobicContact CG1-CD1 3.59Å; I242-Y262 HydrophobicContact CG1-CE1 3.91Å; Y247-Y262 WeakPolarHBondContact OH-CA 3.15Å; L253-Y262 CarbonylContact C-O 3.53Å; L253-Y262 VanDerWaalsContact CA-O 3.28Å; L253-Y262 WeakPolarHBondContact CA-O 3.3Å; R254-Y262 PolarHBondContact N-O 2.77Å; R254-Y262 PolarHBondContact O-N 3.09Å; R254-Y262 VanDerWaalsContact O-N 3.12Å; L256-Y262 HydrophobicContact CD1-CD2 4.12Å; L256-Y262 HydrophobicContact CD1-CE2 3.62Å; L256-Y262 HydrophobicContact CG-CD2 4.23Å; L256-Y262 HydrophobicContact CG-CE2 4.09Å; H260-Y262 HydrophobicContact CB-CE2 3.61Å; Y262-C264 PolarHBondContact O-N 3.32Å; Y262-V267 HydrophobicContact CD2-CB 4.35Å; Y262-V267 HydrophobicContact CD2-CG2 4.05Å; Y262-V267 HydrophobicContact CG-CB 4.12Å; Y262-V267 HydrophobicContact CG-CG2 4.24Å; Y262-C278 PolarHBondContact OH-SG 3.12Å; Y262-P279 HydrophobicContact CE1-CB 4.18Å; Y262-P279 HydrophobicContact CE1-CG 3.92Å; Y262-P279 WeakPolarHBondContact OH-CD 3.4Å; Y262-V280 HydrophobicContact CE1-CG2 4.49Å; Y262-V280 WeakPolarHBondContact OH-CG2 3.39Å; Y262-V280 PolarHBondContact OH-N 3.2Å |
| 263 | H | 93.8 | Very high | 88.3 | Confident | 12 Ų | 12 | 41.7 Ų | 41.7 | 6% | 0.056 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.2 | 132.5 | 165.1 | -64.6 | 109 | 0 | 0 | 0 | 111.3 | C240 C243 Y247 D251 K265 C266 V267 | C240-H263 WeakPolarHBondContact CB-ND1 3.39Å; C240-H263 PolarHBondContact SG-ND1 3.48Å; C243-H263 PolarHBondContact SG-ND1 3.38Å; Y247-H263 AromaticContact CD1-CE1 3.64Å; Y247-H263 AromaticContact CD1-NE2 3.51Å; Y247-H263 AromaticContact CE1-CE1 3.68Å; Y247-H263 AromaticContact CE1-ND1 3.83Å; Y247-H263 AromaticContact CE1-NE2 3.85Å; D251-H263 IonicContact OD1-CD2 3.81Å; D251-H263 PolarHBondContact OD1-CD2 2.73Å; D251-H263 IonicContact OD1-NE2 2.66Å; D251-H263 IonicContact OD2-CD2 2.73Å; D251-H263 PolarHBondContact OD2-CD2 3.15Å; D251-H263 IonicContact OD2-CE1 2.7Å; D251-H263 IonicContact OD2-NE2 3.57Å; D251-H263 PolarHBondContact OD2-NE2 3.35Å; H263-K265 PolarHBondContact O-N 2.93Å; H263-K265 VanDerWaalsContact O-N 3.15Å; H263-C266 HydrophobicContact CB-CB 4.18Å; H263-C266 PolarHBondContact O-N 3.15Å; H263-V267 PolarHBondContact O-N 3.14Å; H263-V267 VanDerWaalsContact O-N 3.11Å |
| 264 | C | 89.6 | Confident | 87.8 | Confident | 19 Ų | 19 | 45 Ų | 45 | 13% | 0.128 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -53.9 | -36.8 | 174.6 | -67.3 | 0 | 0 | 0 | 0 | 112 | K252 Y262 C266 D268 | K252-C264 PolarHBondContact O-N 2.88Å; K252-C264 PolarHBondContact O-SG 2.87Å; Y262-C264 PolarHBondContact O-N 3.32Å; C264-C266 PolarHBondContact O-N 3.02Å; C264-D268 WeakPolarHBondContact O-CB 3.28Å; C264-D268 PolarHBondContact O-N 2.95Å; C264-D268 VanDerWaalsContact O-N 3.14Å |
| 265 | K | 89.3 | Confident | 87.4 | Confident | 172 Ų | 172 | 49.7 Ų | 49.7 | 75% | 0.748 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -57.5 | -34 | 176.4 | -63.8 | 173.6 | -173.6 | 160 | 0 | 112.7 | H263 P269 | H263-K265 PolarHBondContact O-N 2.93Å; H263-K265 VanDerWaalsContact O-N 3.15Å; K265-P269 WeakPolarHBondContact O-CD 3.44Å; K265-P269 VanDerWaalsContact O-CG 3.29Å; K265-P269 WeakPolarHBondContact O-CG 3.48Å |
| 266 | C | 87.8 | Confident | 87.1 | Confident | 33 Ų | 33 | 52 Ų | 52 | 22% | 0.223 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -94.4 | -40.7 | -170.3 | -59.8 | 0 | 0 | 0 | 0 | 112 | I242 H263 C264 | I242-C266 HydrophobicContact CB-CB 3.92Å; I242-C266 HydrophobicContact CD1-CB 4.03Å; I242-C266 HydrophobicContact CG2-CB 3.79Å; H263-C266 HydrophobicContact CB-CB 4.18Å; H263-C266 PolarHBondContact O-N 3.15Å; C264-C266 PolarHBondContact O-N 3.02Å |
| 267 | V | 89.8 | Confident | 87 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -86.7 | -27.1 | -177.8 | 74.9 | 0 | 0 | 0 | 0 | 114.1 | I242 R254 L256 Y262 H263 W270 L271 | I242-V267 HydrophobicContact CD1-CB 3.79Å; I242-V267 HydrophobicContact CD1-CG2 4.16Å; R254-V267 HydrophobicContact CB-CG1 3.89Å; R254-V267 HydrophobicContact CG-CG1 4.43Å; L256-V267 HydrophobicContact CD1-CG2 4.48Å; L256-V267 HydrophobicContact CD2-CG2 4.47Å; Y262-V267 HydrophobicContact CD2-CB 4.35Å; Y262-V267 HydrophobicContact CD2-CG2 4.05Å; Y262-V267 HydrophobicContact CG-CB 4.12Å; Y262-V267 HydrophobicContact CG-CG2 4.24Å; H263-V267 PolarHBondContact O-N 3.14Å; H263-V267 VanDerWaalsContact O-N 3.11Å; V267-W270 WeakPolarHBondContact O-CB 3.4Å; V267-W270 PolarHBondContact O-N 2.69Å; V267-L271 HydrophobicContact CG2-CD1 3.97Å; V267-L271 HydrophobicContact CG2-CG 4.07Å; V267-L271 WeakPolarHBondContact O-CG 3.47Å; V267-L271 PolarHBondContact O-N 3.08Å |
| 268 | D | 88.7 | Confident | 87.1 | Confident | 37 Ų | 37 | 49.6 Ų | 49.6 | 20% | 0.198 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.9 | -41 | 179.4 | -71 | 9.9 | 0 | 0 | 0 | 113.1 | L223 R254 C264 T272 | L223-D268 HydrophobicContact CD2-CB 3.91Å; R254-D268 IonicContact CZ-OD1 3.85Å; R254-D268 VanDerWaalsContact CZ-OD1 3.29Å; R254-D268 IonicContact CZ-OD2 3.35Å; R254-D268 IonicContact NE-OD1 3.99Å; R254-D268 PolarHBondContact NE-OD1 3.49Å; R254-D268 IonicContact NE-OD2 3.15Å; R254-D268 VanDerWaalsContact NH2-CG 3.33Å; R254-D268 IonicContact NH2-OD1 2.84Å; R254-D268 PolarHBondContact NH2-OD1 2.91Å; R254-D268 IonicContact NH2-OD2 3.29Å; R254-D268 PolarHBondContact NH2-OD2 2.75Å; C264-D268 WeakPolarHBondContact O-CB 3.28Å; C264-D268 PolarHBondContact O-N 2.95Å; C264-D268 VanDerWaalsContact O-N 3.14Å; D268-T272 WeakPolarHBondContact O-CB 3.21Å; D268-T272 WeakPolarHBondContact O-CG2 3.17Å; D268-T272 PolarHBondContact O-N 2.7Å; D268-T272 VanDerWaalsContact O-N 3.15Å; D268-T272 PolarHBondContact O-OG1 2.97Å |
| 269 | P | 86.4 | Confident | 87.1 | Confident | 51 Ų | 51 | 50.7 Ų | 50.7 | 33% | 0.331 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61.7 | -43 | 170.5 | -23.4 | 34.6 | 0 | 0 | 0 | 112.7 | K265 T272 K273 | K265-P269 WeakPolarHBondContact O-CD 3.44Å; K265-P269 VanDerWaalsContact O-CG 3.29Å; K265-P269 WeakPolarHBondContact O-CG 3.48Å; P269-T272 PolarHBondContact O-N 3.25Å; P269-K273 VanDerWaalsContact O-CB 3.24Å; P269-K273 WeakPolarHBondContact O-CB 3.14Å; P269-K273 WeakPolarHBondContact O-CG 3.34Å; P269-K273 PolarHBondContact O-N 2.99Å |
| 270 | W | 87.1 | Confident | 87.1 | Confident | 84 Ų | 84 | 50.8 Ų | 50.8 | 32% | 0.318 | 26% | 0.256 | S | S | . | . | I | π-helix | trans | -58.9 | -49.7 | 180 | 176.8 | -95 | 0 | 0 | 0 | 111.7 | V267 T272 T274 K275 T277 P279 | V267-W270 WeakPolarHBondContact O-CB 3.4Å; V267-W270 PolarHBondContact O-N 2.69Å; W270-T272 PolarHBondContact O-N 2.99Å; W270-T274 HydrophobicContact CD2-CG2 4.4Å; W270-T274 HydrophobicContact CE3-CG2 3.93Å; W270-T274 HydrophobicContact CH2-CG2 4.31Å; W270-T274 HydrophobicContact CZ3-CG2 3.88Å; W270-T274 WeakPolarHBondContact O-CA 3.48Å; W270-T274 VanDerWaalsContact O-CB 3.3Å; W270-T274 WeakPolarHBondContact O-CB 3.47Å; W270-T274 PolarHBondContact O-N 2.91Å; W270-K275 HydrophobicContact CZ2-CD 4.5Å; W270-K275 PolarHBondContact O-N 2.93Å; W270-T277 PolarHBondContact NE1-O 3.07Å; W270-P279 HydrophobicContact CD2-CG 4.45Å; W270-P279 HydrophobicContact CG-CG 4.34Å |
| 271 | L | 85.3 | Confident | 86.9 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | I | π-helix | trans | -69.8 | -31.6 | -179 | -63.4 | 174.5 | 0 | 0 | 0 | 113.4 | L218 L223 L226 L256 V267 K275 V285 | L218-L271 HydrophobicContact CB-CB 4.37Å; L218-L271 WeakPolarHBondContact CB-O 3.49Å; L218-L271 HydrophobicContact CD2-CB 4.15Å; L218-L271 HydrophobicContact CD2-CD1 4.4Å; L218-L271 PolarHBondContact N-O 2.79Å; L223-L271 HydrophobicContact CD1-CB 4.07Å; L223-L271 HydrophobicContact CD1-CD1 3.66Å; L226-L271 HydrophobicContact CD1-CD1 4.2Å; L256-L271 HydrophobicContact CD2-CD1 4.02Å; V267-L271 HydrophobicContact CG2-CD1 3.97Å; V267-L271 HydrophobicContact CG2-CG 4.07Å; V267-L271 WeakPolarHBondContact O-CG 3.47Å; V267-L271 PolarHBondContact O-N 3.08Å; L271-K275 WeakPolarHBondContact CA-O 3.23Å; L271-V285 HydrophobicContact CD1-CG1 4.27Å; L271-V285 HydrophobicContact CD2-CB 4.28Å; L271-V285 HydrophobicContact CD2-CG1 4.42Å; L271-V285 HydrophobicContact CD2-CG2 3.81Å |
| 272 | T | 80.9 | Confident | 86.7 | Confident | 22 Ų | 22 | 56.1 Ų | 56.1 | 14% | 0.135 | 28% | 0.282 | C | S | . | . | I | π-helix | trans | -96.5 | -15.1 | -175.4 | 60.9 | 0 | 0 | 0 | 0 | 115.1 | R217 L223 D268 P269 W270 | R217-T272 PolarHBondContact NE-O 3.19Å; R217-T272 PolarHBondContact NH2-O 3.23Å; L223-T272 HydrophobicContact CD2-CG2 3.75Å; D268-T272 WeakPolarHBondContact O-CB 3.21Å; D268-T272 WeakPolarHBondContact O-CG2 3.17Å; D268-T272 PolarHBondContact O-N 2.7Å; D268-T272 VanDerWaalsContact O-N 3.15Å; D268-T272 PolarHBondContact O-OG1 2.97Å; P269-T272 PolarHBondContact O-N 3.25Å; W270-T272 PolarHBondContact O-N 2.99Å |
| 273 | K | 76.1 | Confident | 86.2 | Confident | 147 Ų | 147 | 61.2 Ų | 61.2 | 64% | 0.639 | 31% | 0.306 | S | S | * | . | I | π-helix | trans | -118.5 | -34.6 | 179.1 | -56.7 | -179.5 | -178.1 | 178.6 | 0 | 113.5 | P269 | P269-K273 VanDerWaalsContact O-CB 3.24Å; P269-K273 WeakPolarHBondContact O-CB 3.14Å; P269-K273 WeakPolarHBondContact O-CG 3.34Å; P269-K273 PolarHBondContact O-N 2.99Å |
| 274 | T | 80.3 | Confident | 85.8 | Confident | 70 Ų | 70 | 67.5 Ų | 67.5 | 43% | 0.429 | 33% | 0.333 | S | S | . | . | I | π-helix | trans | -107.5 | -71.4 | -165.8 | -46.8 | 0 | 0 | 0 | 0 | 113 | W270 | W270-T274 HydrophobicContact CD2-CG2 4.4Å; W270-T274 HydrophobicContact CE3-CG2 3.93Å; W270-T274 HydrophobicContact CH2-CG2 4.31Å; W270-T274 HydrophobicContact CZ3-CG2 3.88Å; W270-T274 WeakPolarHBondContact O-CA 3.48Å; W270-T274 VanDerWaalsContact O-CB 3.3Å; W270-T274 WeakPolarHBondContact O-CB 3.47Å; W270-T274 PolarHBondContact O-N 2.91Å |
| 275 | K | 82.1 | Confident | 85.4 | Confident | 113 Ų | 113 | 66.7 Ų | 66.7 | 49% | 0.491 | 33% | 0.328 | S | S | . | . | trans | -150 | 138.9 | -177.1 | -70.1 | 179.8 | -180 | 178.8 | 0 | 111.2 | W270 L271 T277 | W270-K275 HydrophobicContact CZ2-CD 4.5Å; W270-K275 PolarHBondContact O-N 2.93Å; L271-K275 WeakPolarHBondContact CA-O 3.23Å; K275-T277 WeakPolarHBondContact CB-OG1 3.42Å; K275-T277 PolarHBondContact O-N 3.44Å | ||
| 276 | K | 84.8 | Confident | 84.7 | Confident | 86 Ų | 86 | 61.5 Ų | 61.5 | 37% | 0.374 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -74.7 | 34.1 | 172.9 | 66.3 | -171.6 | -177.4 | -168.5 | 0 | 114.9 | R215 N216 L218 V285 | R215-K276 WeakPolarHBondContact O-CE 3.4Å; R215-K276 PolarHBondContact O-NZ 2.81Å; N216-K276 PolarHBondContact O-N 3.21Å; N216-K276 VanDerWaalsContact O-N 3.16Å; L218-K276 HydrophobicContact CB-CB 4.47Å; K276-V285 PolarHBondContact O-N 3Å |
| 277 | T | 87.6 | Confident | 83.2 | Confident | 30 Ų | 30 | 64.8 Ų | 64.8 | 18% | 0.184 | 33% | 0.331 | C | S | . | . | B | Isolated β-bridge | trans | -129.8 | 148.8 | -173.4 | 54.2 | 0 | 0 | 0 | 0 | 111.7 | W270 K275 K282 Q283 K284 | W270-T277 PolarHBondContact NE1-O 3.07Å; K275-T277 WeakPolarHBondContact CB-OG1 3.42Å; K275-T277 PolarHBondContact O-N 3.44Å; T277-K282 VanDerWaalsContact CB-O 3.3Å; T277-K282 WeakPolarHBondContact CB-O 3.32Å; T277-K282 VanDerWaalsContact CG2-O 3.31Å; T277-K282 WeakPolarHBondContact CG2-O 3.42Å; T277-Q283 CarbonylContact C-O 3.59Å; T277-Q283 VanDerWaalsContact CA-O 3.25Å; T277-Q283 WeakPolarHBondContact CA-O 3.39Å; T277-K284 HydrophobicContact CG2-CG 4.29Å |
| 278 | C | 88.4 | Confident | 81.3 | Confident | 2 Ų | 2 | 70.5 Ų | 70.5 | 1% | 0.014 | 37% | 0.371 | C | S | . | . | trans | -54.5 | 131.7 | 171 | -174.9 | 0 | 0 | 0 | 0 | 110.8 | L256 Y262 V280 C281 K282 Q283 | L256-C278 HydrophobicContact CD1-CB 3.98Å; Y262-C278 PolarHBondContact OH-SG 3.12Å; C278-V280 PolarHBondContact O-N 3.35Å; C278-C281 VanDerWaalsContact CB-SG 3.54Å; C278-K282 WeakPolarHBondContact O-CA 3.27Å; C278-K282 PolarHBondContact O-N 3.04Å; C278-Q283 PolarHBondContact N-O 2.86Å | ||
| 279 | P | 88.9 | Confident | 79.2 | Confident | 39 Ų | 39 | 77.5 Ų | 77.5 | 25% | 0.253 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | -44.7 | 173.9 | -27.5 | 32.8 | 0 | 0 | 0 | 113.9 | I242 Y262 W270 | I242-P279 HydrophobicContact CD1-CG 4Å; I242-P279 HydrophobicContact CG1-CB 4.49Å; I242-P279 HydrophobicContact CG1-CG 4.13Å; Y262-P279 HydrophobicContact CE1-CB 4.18Å; Y262-P279 HydrophobicContact CE1-CG 3.92Å; Y262-P279 WeakPolarHBondContact OH-CD 3.4Å; W270-P279 HydrophobicContact CD2-CG 4.45Å; W270-P279 HydrophobicContact CG-CG 4.34Å |
| 280 | V | 87.3 | Confident | 77.4 | Confident | 80 Ų | 80 | 78.3 Ų | 78.3 | 49% | 0.485 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -67.4 | -175.7 | 176.7 | 0 | 0 | 0 | 0 | 111.7 | A241 H260 Y262 C278 K282 | A241-V280 HydrophobicContact CB-CG2 3.91Å; H260-V280 WeakPolarHBondContact NE2-CG1 3.45Å; Y262-V280 HydrophobicContact CE1-CG2 4.49Å; Y262-V280 WeakPolarHBondContact OH-CG2 3.39Å; Y262-V280 PolarHBondContact OH-N 3.2Å; C278-V280 PolarHBondContact O-N 3.35Å; V280-K282 VanDerWaalsContact C-N 3.34Å; V280-K282 PolarHBondContact O-N 2.84Å |
| 281 | C | 85.7 | Confident | 75 | Confident | 54 Ų | 54 | 81.7 Ų | 81.7 | 37% | 0.365 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 10.2 | -171 | 68.6 | 0 | 0 | 0 | 0 | 115.6 | C258 C278 Q283 | C258-C281 VanDerWaalsContact SG-SG 3.62Å; C278-C281 VanDerWaalsContact CB-SG 3.54Å; C281-Q283 PolarHBondContact O-N 3.05Å |
| 282 | K | 86.7 | Confident | 73.1 | Confident | 126 Ų | 126 | 87.4 Ų | 87.4 | 55% | 0.548 | 49% | 0.485 | S | S | . | . | trans | 56 | -4.9 | -175.8 | -55.1 | -179 | -172.5 | 176.9 | 0 | 116.4 | T277 C278 V280 E304 | T277-K282 VanDerWaalsContact CB-O 3.3Å; T277-K282 WeakPolarHBondContact CB-O 3.32Å; T277-K282 VanDerWaalsContact CG2-O 3.31Å; T277-K282 WeakPolarHBondContact CG2-O 3.42Å; C278-K282 WeakPolarHBondContact O-CA 3.27Å; C278-K282 PolarHBondContact O-N 3.04Å; V280-K282 VanDerWaalsContact C-N 3.34Å; V280-K282 PolarHBondContact O-N 2.84Å; K282-E304 IonicContact NZ-OE1 3.99Å; K282-E304 PolarHBondContact NZ-OE1 3.1Å; K282-E304 IonicContact NZ-OE2 2.7Å; K282-E304 PolarHBondContact NZ-OE2 3.05Å | ||
| 283 | Q | 84.6 | Confident | 71 | Confident | 108 Ų | 108 | 93.8 Ų | 93.8 | 51% | 0.505 | 52% | 0.518 | S | S | . | . | trans | -63.9 | 141.9 | -173.3 | -167.8 | 173.4 | -1.1 | 0 | 0 | 113.4 | C258 T277 C278 C281 | C258-Q283 HydrophobicContact CB-CB 4.33Å; C258-Q283 HydrophobicContact CB-CG 4.48Å; T277-Q283 CarbonylContact C-O 3.59Å; T277-Q283 VanDerWaalsContact CA-O 3.25Å; T277-Q283 WeakPolarHBondContact CA-O 3.39Å; C278-Q283 PolarHBondContact N-O 2.86Å; C281-Q283 PolarHBondContact O-N 3.05Å | ||
| 284 | K | 83.8 | Confident | 69.5 | Low | 144 Ų | 144 | 91.8 Ų | 91.8 | 63% | 0.626 | 52% | 0.523 | S | S | * | . | B | Isolated β-bridge | trans | -67.3 | 133.7 | 179 | -66.4 | 170.5 | -175.1 | 166.3 | 0 | 110.8 | T277 V286 | T277-K284 HydrophobicContact CG2-CG 4.29Å; K284-V286 VanDerWaalsContact C-N 3.35Å; K284-V286 PolarHBondContact O-N 3.48Å |
| 285 | V | 81.3 | Confident | 67.4 | Low | 3 Ų | 3 | 95.6 Ų | 95.6 | 2% | 0.018 | 54% | 0.54 | C | S | . | . | S | Bend | trans | -84.7 | -5.8 | -173.1 | 174.1 | 0 | 0 | 0 | 0 | 113.6 | L226 L256 P257 L271 K276 | L226-V285 HydrophobicContact CD1-CG1 3.52Å; L226-V285 HydrophobicContact CD2-CG1 3.95Å; L226-V285 HydrophobicContact CG-CG1 4.39Å; L256-V285 HydrophobicContact CD1-CG2 3.97Å; L256-V285 HydrophobicContact CD2-CG1 4.06Å; L256-V285 HydrophobicContact CD2-CG2 4.31Å; P257-V285 WeakPolarHBondContact CG-O 3.31Å; L271-V285 HydrophobicContact CD1-CG1 4.27Å; L271-V285 HydrophobicContact CD2-CB 4.28Å; L271-V285 HydrophobicContact CD2-CG1 4.42Å; L271-V285 HydrophobicContact CD2-CG2 3.81Å; K276-V285 PolarHBondContact O-N 3Å |
| 286 | V | 74.7 | Confident | 65.3 | Low | 63 Ų | 63 | 96.7 Ų | 96.7 | 38% | 0.382 | 56% | 0.557 | S | S | . | * | S | Bend | trans | -135.2 | 125.9 | 173.1 | -178.8 | 0 | 0 | 0 | 0 | 108.3 | L218 K284 | L218-V286 HydrophobicContact CD1-CG2 3.65Å; K284-V286 VanDerWaalsContact C-N 3.35Å; K284-V286 PolarHBondContact O-N 3.48Å |
| 287 | P | 56.4 | Low | 62.9 | Low | 102 Ų | 102 | 98.8 Ų | 98.8 | 66% | 0.662 | 57% | 0.572 | S | S | * | * | trans | -64.7 | 143.4 | 169.7 | -19.3 | 32.4 | 0 | 0 | 0 | 111.4 | Q289 | P287-Q289 PolarHBondContact O-N 3.31Š| ||
| 288 | S | 51.1 | Low | 60.9 | Low | 119 Ų | 119 | 102.8 Ų | 102.8 | 83% | 0.832 | 60% | 0.601 | S | S | * | * | trans | -73.2 | 82.9 | 179.4 | -57.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 289 | Q | 43.8 | Very low | 58.5 | Low | 184 Ų | 184 | 106.9 Ų | 106.9 | 86% | 0.86 | 63% | 0.63 | S | S | * | * | trans | -102.8 | 105.5 | 166.6 | -75.6 | -165.2 | -18.9 | 0 | 0 | 111.1 | P287 | P287-Q289 PolarHBondContact O-N 3.31Š| ||
| 290 | G | 48.3 | Very low | 56 | Low | 69 Ų | 69 | 114.1 Ų | 114.1 | 71% | 0.711 | 66% | 0.66 | S | S | * | * | trans | 73.8 | 36.3 | 146.7 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 291 | D | 37.9 | Very low | 53.6 | Low | 155 Ų | 155 | 119.3 Ų | 119.3 | 83% | 0.829 | 68% | 0.679 | S | S | * | * | trans | -90 | 96.8 | 155.1 | -75.9 | -35.8 | 0 | 0 | 0 | 107.8 | D293 | D291-D293 PolarHBondContact O-N 2.84Š| ||
| 292 | S | 43.8 | Very low | 51.2 | Low | 120 Ų | 120 | 126 Ų | 126 | 84% | 0.839 | 71% | 0.705 | S | S | * | * | trans | -80.7 | 50.5 | -176.8 | -60.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 293 | D | 36.9 | Very low | 48.6 | Very low | 155 Ų | 155 | 127 Ų | 127 | 83% | 0.829 | 72% | 0.717 | S | S | * | * | trans | -89.1 | 105.5 | 165.9 | -76.1 | -23.1 | 0 | 0 | 0 | 108.5 | D291 D295 | D291-D293 PolarHBondContact O-N 2.84Å; D293-D295 PolarHBondContact O-N 3.12Å | ||
| 294 | S | 44.4 | Very low | 46 | Very low | 106 Ų | 106 | 129.4 Ų | 129.4 | 74% | 0.741 | 73% | 0.728 | S | S | * | * | trans | -67.1 | 127.5 | 171.2 | 54.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 295 | D | 37 | Very low | 43.6 | Very low | 150 Ų | 150 | 129.1 Ų | 129.1 | 80% | 0.802 | 74% | 0.738 | S | S | * | * | trans | -164.5 | 133.4 | 138.9 | -97.7 | -26.6 | 0 | 0 | 0 | 110.2 | D293 D297 | D293-D295 PolarHBondContact O-N 3.12Å; D295-D297 PolarHBondContact O-N 3.09Å | ||
| 296 | T | 37.5 | Very low | 41.4 | Very low | 135 Ų | 135 | 134.4 Ų | 134.4 | 83% | 0.828 | 77% | 0.77 | S | S | * | * | trans | -52 | 120.9 | -170.5 | -52.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 297 | D | 34.6 | Very low | 39.6 | Very low | 130 Ų | 130 | 140.6 Ų | 140.6 | 70% | 0.695 | 80% | 0.795 | S | S | * | * | trans | -84.3 | 121.6 | 169.4 | -162.6 | -18.1 | 0 | 0 | 0 | 110.1 | D295 S299 | D295-D297 PolarHBondContact O-N 3.09Å; D297-S299 WeakPolarHBondContact OD1-CB 3.37Å; D297-S299 PolarHBondContact OD1-N 2.95Å; D297-S299 PolarHBondContact OD1-OG 2.89Å | ||
| 298 | S | 45.2 | Very low | 38.7 | Very low | 115 Ų | 115 | 144 Ų | 144 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | -132.6 | 43.2 | 170.5 | 53.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 299 | S | 38.8 | Very low | 38.3 | Very low | 88 Ų | 88 | 144.8 Ų | 144.8 | 62% | 0.615 | 80% | 0.802 | S | S | * | * | trans | -94 | 117.2 | 170.7 | 58.9 | 0 | 0 | 0 | 0 | 112 | D297 | D297-S299 WeakPolarHBondContact OD1-CB 3.37Å; D297-S299 PolarHBondContact OD1-N 2.95Å; D297-S299 PolarHBondContact OD1-OG 2.89Å | ||
| 300 | Q | 37 | Very low | 38.1 | Very low | 191 Ų | 191 | 142 Ų | 142 | 89% | 0.893 | 80% | 0.799 | S | S | * | * | trans | -73.7 | 141.4 | 175 | -67.7 | 170.6 | -36.8 | 0 | 0 | 110.5 | E302 | Q300-E302 PolarHBondContact O-N 3.1Š| ||
| 301 | E | 36.3 | Very low | 37.4 | Very low | 188 Ų | 188 | 146.6 Ų | 146.6 | 88% | 0.879 | 81% | 0.807 | S | S | * | * | trans | -81.1 | 108.6 | 175.5 | -64 | -172.1 | 132.1 | 0 | 0 | 110.8 | ||||
| 302 | E | 34.2 | Very low | 37.3 | Very low | 194 Ų | 194 | 146.3 Ų | 146.3 | 91% | 0.907 | 80% | 0.804 | S | S | * | * | trans | -77 | 126.5 | 165.3 | -70.9 | -171.9 | 144 | 0 | 0 | 109.9 | Q300 | Q300-E302 PolarHBondContact O-N 3.1Š| ||
| 303 | N | 32.1 | Very low | 37 | Very low | 148 Ų | 148 | 150.7 Ų | 150.7 | 79% | 0.791 | 80% | 0.803 | S | S | * | * | trans | -75.4 | 140.7 | -177.7 | -79.7 | -84.2 | 0 | 0 | 0 | 112.4 | V305 | N303-V305 PolarHBondContact O-N 2.86Š| ||
| 304 | E | 31.2 | Very low | 37.6 | Very low | 158 Ų | 158 | 147.7 Ų | 147.7 | 74% | 0.738 | 79% | 0.792 | S | S | * | * | trans | -69.4 | 106.6 | 167 | -71.2 | 179.5 | 145.4 | 0 | 0 | 109.5 | K282 | K282-E304 IonicContact NZ-OE1 3.99Å; K282-E304 PolarHBondContact NZ-OE1 3.1Å; K282-E304 IonicContact NZ-OE2 2.7Å; K282-E304 PolarHBondContact NZ-OE2 3.05Å | ||
| 305 | V | 33.5 | Very low | 37 | Very low | 139 Ų | 139 | 150.7 Ų | 150.7 | 84% | 0.842 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 119.6 | 168.6 | 178.7 | 0 | 0 | 0 | 0 | 109 | N303 | N303-V305 PolarHBondContact O-N 2.86Š|
| 306 | T | 34.1 | Very low | 36.7 | Very low | 113 Ų | 113 | 147.2 Ų | 147.2 | 69% | 0.693 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -86 | 134.3 | 176 | 41.5 | 0 | 0 | 0 | 0 | 111.7 | H308 | T306-H308 PolarHBondContact O-N 2.7Š|
| 307 | E | 37.8 | Very low | 36.6 | Very low | 193 Ų | 193 | 146 Ų | 146 | 90% | 0.902 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 118.8 | 168.2 | -66.9 | -173.6 | 127 | 0 | 0 | 110.1 | ||
| 308 | H | 37 | Very low | 36.4 | Very low | 175 Ų | 175 | 146.5 Ų | 146.5 | 81% | 0.81 | 80% | 0.795 | S | S | * | * | trans | -131.4 | 132.5 | 159.3 | -91.1 | -60.2 | 0 | 0 | 0 | 111 | T306 | T306-H308 PolarHBondContact O-N 2.7Š| ||
| 309 | T | 42.2 | Very low | 35.8 | Very low | 134 Ų | 134 | 145.7 Ų | 145.7 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | trans | -75.4 | 130.5 | -175.2 | 36.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 310 | P | 41.1 | Very low | 35.6 | Very low | 125 Ų | 125 | 146 Ų | 146 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | trans | -86.7 | 131.5 | 171.2 | 32.7 | -31.5 | 0 | 0 | 0 | 111.2 | ||||
| 311 | L | 33.6 | Very low | 35.5 | Very low | 167 Ų | 167 | 145.7 Ų | 145.7 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | trans | -105 | 161.6 | 163.7 | -81.3 | 174.6 | 0 | 0 | 0 | 111.1 | ||||
| 312 | L | 35.3 | Very low | 35.4 | Very low | 148 Ų | 148 | 141.2 Ų | 141.2 | 78% | 0.775 | 79% | 0.785 | S | S | * | * | trans | -55.9 | 159.7 | 176.1 | -50.8 | 169.1 | 0 | 0 | 0 | 111 | ||||
| 313 | R | 36.5 | Very low | 35.2 | Very low | 213 Ų | 213 | 142 Ų | 142 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | cis | -163.8 | -161.6 | 26.8 | -147.9 | -166.8 | 177.7 | 93.8 | 2.5 | 110.4 | ||||
| 314 | P | 50.9 | Low | 35.1 | Very low | 92 Ų | 92 | 138.3 Ų | 138.3 | 60% | 0.597 | 78% | 0.783 | S | S | * | * | -122.9 | -167.4 | -104.9 | 43.7 | -27 | 0 | 0 | 0 | 117.2 | |||||
| 315 | L | 32.3 | Very low | 35.1 | Very low | 169 Ų | 169 | 135.5 Ų | 135.5 | 89% | 0.885 | 79% | 0.786 | S | S | * | * | trans | 82.5 | 144.7 | 161.7 | -67.2 | 163 | 0 | 0 | 0 | 116.3 | ||||
| 316 | A | 29.8 | Very low | 35.1 | Very low | 76 Ų | 76 | 136.8 Ų | 136.8 | 63% | 0.628 | 79% | 0.788 | S | S | * | * | cis | -141.6 | 165 | 6.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 317 | S | 34.6 | Very low | 34.9 | Very low | 109 Ų | 109 | 136.1 Ų | 136.1 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | trans | 31 | 136.8 | 150.8 | 56.7 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 318 | V | 31.9 | Very low | 34.5 | Very low | 141 Ų | 141 | 135.8 Ų | 135.8 | 86% | 0.855 | 79% | 0.786 | S | S | * | * | -137.9 | 163.2 | 53.5 | 170.3 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 319 | S | 32.5 | Very low | 34.2 | Very low | 99 Ų | 99 | 133.3 Ų | 133.3 | 69% | 0.692 | 79% | 0.789 | S | S | * | * | trans | -84.8 | 143.4 | -165 | 52.7 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 320 | A | 33.3 | Very low | 33.5 | Very low | 93 Ų | 93 | 138.6 Ų | 138.6 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | trans | 63 | 162.3 | 136.2 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 321 | Q | 35.6 | Very low | 32.9 | Very low | 186 Ų | 186 | 137.6 Ų | 137.6 | 87% | 0.869 | 79% | 0.79 | S | S | * | * | cis | -131.2 | 155.6 | 10.3 | -65 | 162.2 | -11.2 | 0 | 0 | 108.3 | ||||
| 322 | S | 33.2 | Very low | 32.5 | Very low | 94 Ų | 94 | 138.3 Ų | 138.3 | 66% | 0.657 | 79% | 0.788 | S | S | * | * | cis | 99.2 | 127.8 | 31.6 | -155.7 | 0 | 0 | 0 | 0 | 114 | ||||
| 323 | F | 30.9 | Very low | 32.3 | Very low | 210 Ų | 210 | 140.8 Ų | 140.8 | 92% | 0.921 | 80% | 0.796 | S | S | * | * | trans | 63.8 | 161 | -177.3 | -62.9 | -84.1 | 0 | 0 | 0 | 116.4 | ||||
| 324 | G | 31 | Very low | 31.9 | Very low | 71 Ų | 71 | 137.5 Ų | 137.5 | 73% | 0.732 | 79% | 0.794 | S | S | * | * | cis | -172.3 | 164.9 | -1.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 325 | A | 30.8 | Very low | 30.8 | Very low | 98 Ų | 98 | 141.1 Ų | 141.1 | 81% | 0.81 | 81% | 0.805 | S | S | * | * | trans | -94.5 | 174.8 | -167.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 326 | L | 33.5 | Very low | 30.5 | Very low | 166 Ų | 166 | 137.8 Ų | 137.8 | 87% | 0.869 | 79% | 0.792 | S | S | * | * | trans | 104.7 | 143.6 | 150.3 | -77 | 159.3 | 0 | 0 | 0 | 122.3 | ||||
| 327 | S | 30.1 | Very low | 30.4 | Very low | 99 Ų | 99 | 142.5 Ų | 142.5 | 69% | 0.692 | 80% | 0.801 | S | S | * | * | trans | 57.7 | 99.8 | 151.2 | 57.4 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 328 | E | 29.6 | Very low | 30.1 | Very low | 186 Ų | 186 | 142 Ų | 142 | 87% | 0.869 | 80% | 0.798 | S | S | * | * | 38.1 | 116.2 | 101.7 | -174 | 177.3 | -150.3 | 0 | 0 | 119.2 | |||||
| 329 | S | 29.5 | Very low | 30 | Very low | 124 Ų | 124 | 139.5 Ų | 139.5 | 87% | 0.867 | 79% | 0.786 | S | S | * | * | trans | -168.3 | 153.1 | 137.2 | -88.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 330 | R | 27.9 | Very low | 29.9 | Very low | 244 Ų | 244 | 141.2 Ų | 141.2 | 92% | 0.921 | 79% | 0.788 | S | S | * | * | trans | -68.6 | 151.4 | 176.4 | -61.2 | 158.6 | 158.5 | 171.3 | -9.6 | 112.9 | ||||
| 331 | S | 27.4 | Very low | 29.8 | Very low | 105 Ų | 105 | 146.3 Ų | 146.3 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | -171.3 | 138.8 | 122 | 53.1 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 332 | H | 26.6 | Very low | 29.7 | Very low | 182 Ų | 182 | 146 Ų | 146 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | trans | 22.7 | 125.1 | 150.1 | -66.6 | -97.4 | 0 | 0 | 0 | 121.5 | ||||
| 333 | Q | 31.2 | Very low | 29.7 | Very low | 200 Ų | 200 | 150.1 Ų | 150.1 | 94% | 0.935 | 80% | 0.796 | S | S | * | * | -155.5 | 147.5 | 99.8 | -105.6 | 169.9 | 9.5 | 0 | 0 | 111.5 | |||||
| 334 | N | 26.9 | Very low | 29.7 | Very low | 144 Ų | 144 | 147.6 Ų | 147.6 | 77% | 0.77 | 79% | 0.792 | S | S | * | * | trans | -162.7 | 118.1 | 179 | 176.5 | 69.1 | 0 | 0 | 0 | 110.5 | ||||
| 335 | M | 27.5 | Very low | 29.9 | Very low | 167 Ų | 167 | 150.6 Ų | 150.6 | 82% | 0.823 | 79% | 0.791 | S | S | * | * | trans | -167 | 136.8 | 157.6 | -73.1 | -149.3 | 164.3 | 0 | 0 | 104.5 | ||||
| 336 | T | 27.2 | Very low | 30.2 | Very low | 100 Ų | 100 | 151.3 Ų | 151.3 | 61% | 0.613 | 78% | 0.782 | S | S | * | * | 59.4 | 139.1 | 55.9 | 78.5 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 337 | E | 28.1 | Very low | 30.4 | Very low | 174 Ų | 174 | 151.4 Ų | 151.4 | 81% | 0.813 | 78% | 0.777 | S | S | * | * | cis | -151.2 | 174.4 | 19.8 | -111.4 | 130.4 | 115.2 | 0 | 0 | 108.2 | ||||
| 338 | S | 27.8 | Very low | 30.6 | Very low | 100 Ų | 100 | 153.3 Ų | 153.3 | 70% | 0.699 | 78% | 0.78 | S | S | * | * | cis | -158 | 160.8 | 1.2 | 60.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 339 | S | 29.2 | Very low | 30.7 | Very low | 88 Ų | 88 | 150.1 Ų | 150.1 | 62% | 0.615 | 77% | 0.773 | S | S | * | * | 101.1 | 108.6 | 98.4 | 59.2 | 0 | 0 | 0 | 0 | 118 | |||||
| 340 | D | 30.9 | Very low | 30.8 | Very low | 134 Ų | 134 | 151.2 Ų | 151.2 | 72% | 0.717 | 77% | 0.769 | S | S | * | * | 44.3 | 162.8 | 126.9 | -52.1 | -17.3 | 0 | 0 | 0 | 124.9 | |||||
| 341 | Y | 31.2 | Very low | 31 | Very low | 201 Ų | 201 | 145.3 Ų | 145.3 | 79% | 0.788 | 77% | 0.765 | S | S | * | * | trans | 78.6 | 141.6 | 173.7 | -44.4 | -70.5 | 0 | 0 | 0 | 116 | ||||
| 342 | E | 32.7 | Very low | 31.3 | Very low | 180 Ų | 180 | 144.8 Ų | 144.8 | 84% | 0.841 | 76% | 0.762 | S | S | * | * | cis | -149.5 | 167 | 8.8 | -144.9 | 152.6 | -130.2 | 0 | 0 | 112 | ||||
| 343 | E | 34.7 | Very low | 31.6 | Very low | 179 Ų | 179 | 143.3 Ų | 143.3 | 84% | 0.836 | 76% | 0.76 | S | S | * | * | trans | -87.4 | 156.2 | 170.2 | -69.2 | 168.2 | 128.2 | 0 | 0 | 110.9 | ||||
| 344 | D | 30.5 | Very low | 31.7 | Very low | 157 Ų | 157 | 138.9 Ų | 138.9 | 84% | 0.84 | 76% | 0.757 | S | S | * | * | trans | -158.2 | 155.8 | 142.4 | -141.5 | -18.4 | 0 | 0 | 0 | 111.4 | ||||
| 345 | D | 35.2 | Very low | 32 | Very low | 134 Ų | 134 | 141.2 Ų | 141.2 | 72% | 0.717 | 76% | 0.764 | S | S | * | * | trans | -126.8 | -171.6 | -162.9 | -109 | -37.6 | 0 | 0 | 0 | 113.1 | ||||
| 346 | N | 35.9 | Very low | 32.2 | Very low | 114 Ų | 114 | 141.1 Ų | 141.1 | 61% | 0.61 | 77% | 0.767 | S | S | * | * | trans | 87.7 | 118.3 | 159.1 | -50.3 | -60.2 | 0 | 0 | 0 | 116.3 | ||||
| 347 | E | 37.6 | Very low | 32.4 | Very low | 167 Ų | 167 | 144.3 Ų | 144.3 | 78% | 0.78 | 78% | 0.775 | S | S | * | * | 76.6 | 146.4 | 81.5 | -69.2 | -179.6 | 162.6 | 0 | 0 | 112.8 | |||||
| 348 | D | 34.5 | Very low | 32.6 | Very low | 140 Ų | 140 | 141.5 Ų | 141.5 | 75% | 0.749 | 76% | 0.764 | S | S | * | * | cis | -159.3 | -169.3 | 7.2 | -147.8 | -16 | 0 | 0 | 0 | 112.6 | ||||
| 349 | T | 32.3 | Very low | 32.7 | Very low | 119 Ų | 119 | 144.5 Ų | 144.5 | 73% | 0.73 | 77% | 0.772 | S | S | * | * | trans | 108.7 | 84.7 | 145.3 | -25.7 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 350 | D | 31.1 | Very low | 33 | Very low | 146 Ų | 146 | 147 Ų | 147 | 78% | 0.781 | 77% | 0.774 | S | S | * | * | 26.3 | 137.3 | 116.6 | -158.1 | 22.5 | 0 | 0 | 0 | 122.7 | |||||
| 351 | S | 33.1 | Very low | 33.2 | Very low | 120 Ų | 120 | 150 Ų | 150 | 84% | 0.839 | 78% | 0.784 | S | S | * | * | trans | 176.6 | 161.4 | 142.2 | 34.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 352 | S | 33 | Very low | 33.3 | Very low | 94 Ų | 94 | 146.2 Ų | 146.2 | 66% | 0.657 | 78% | 0.777 | S | S | * | * | trans | -124.9 | 175.9 | -156 | 62.7 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 353 | D | 32 | Very low | 33.3 | Very low | 152 Ų | 152 | 144.8 Ų | 144.8 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | trans | 65.4 | 119.6 | 153.9 | -50.8 | -47 | 0 | 0 | 0 | 121.5 | ||||
| 354 | A | 34.4 | Very low | 33.1 | Very low | 106 Ų | 106 | 140.8 Ų | 140.8 | 88% | 0.876 | 77% | 0.768 | S | S | * | * | trans | -161.3 | 131.6 | 139.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 355 | E | 33.5 | Very low | 33.1 | Very low | 193 Ų | 193 | 139.4 Ų | 139.4 | 90% | 0.902 | 76% | 0.764 | S | S | * | * | trans | -63.8 | 161 | 178.9 | -55.1 | 159 | 146.8 | 0 | 0 | 114 | ||||
| 356 | N | 30.9 | Very low | 32.9 | Very low | 165 Ų | 165 | 140.1 Ų | 140.1 | 88% | 0.882 | 76% | 0.764 | S | S | * | * | trans | -157.7 | 127.8 | 145.7 | -134.7 | -25.7 | 0 | 0 | 0 | 114.8 | ||||
| 357 | E | 30.7 | Very low | 32.7 | Very low | 167 Ų | 167 | 140.5 Ų | 140.5 | 78% | 0.78 | 77% | 0.765 | S | S | * | * | trans | -157.1 | 157.5 | 177.8 | -131.1 | -177.1 | -124.6 | 0 | 0 | 107 | ||||
| 358 | I | 33.7 | Very low | 32.5 | Very low | 116 Ų | 116 | 140.9 Ų | 140.9 | 60% | 0.595 | 77% | 0.767 | S | S | * | * | cis | -140.7 | 163.1 | 12.9 | -28.8 | 168 | 0 | 0 | 0 | 108.3 | E360 | I358-E360 HydrophobicContact CG2-CG 4.39Š| ||
| 359 | N | 30.1 | Very low | 33.5 | Very low | 162 Ų | 162 | 139.1 Ų | 139.1 | 87% | 0.866 | 76% | 0.763 | S | S | * | * | -162.1 | 141.2 | 124.1 | -106.3 | -28 | 0 | 0 | 0 | 114.5 | |||||
| 360 | E | 34.8 | Very low | 33.4 | Very low | 140 Ų | 140 | 141.6 Ų | 141.6 | 65% | 0.654 | 77% | 0.772 | S | S | * | * | trans | -93.9 | 173.5 | -173.9 | -56.6 | 158 | 120.2 | 0 | 0 | 112.3 | I358 | I358-E360 HydrophobicContact CG2-CG 4.39Š| ||
| 361 | H | 35.3 | Very low | 33.4 | Very low | 199 Ų | 199 | 137.7 Ų | 137.7 | 92% | 0.921 | 77% | 0.766 | S | S | * | * | trans | -149 | 125.6 | 135.4 | -109.4 | 60.4 | 0 | 0 | 0 | 110.2 | ||||
| 362 | D | 32.4 | Very low | 33.4 | Very low | 121 Ų | 121 | 140.2 Ų | 140.2 | 65% | 0.647 | 76% | 0.764 | S | S | * | * | trans | -67.5 | 150.6 | 179.8 | -90.3 | -54.9 | 0 | 0 | 0 | 114.7 | ||||
| 363 | V | 32.7 | Very low | 33.6 | Very low | 149 Ų | 149 | 147.2 Ų | 147.2 | 90% | 0.903 | 78% | 0.776 | S | S | * | * | -145.2 | 129.3 | 117.6 | -178.1 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 364 | V | 31.3 | Very low | 33.8 | Very low | 96 Ų | 96 | 146.5 Ų | 146.5 | 58% | 0.582 | 77% | 0.773 | S | S | * | * | trans | -112.9 | 151.9 | 178.5 | 172.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 365 | V | 31.3 | Very low | 34 | Very low | 127 Ų | 127 | 151 Ų | 151 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | trans | 157.1 | 114 | 147 | 155 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 366 | Q | 30.9 | Very low | 34 | Very low | 150 Ų | 150 | 147.3 Ų | 147.3 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | 67.8 | 139.2 | 63.7 | -68.9 | -162.2 | -14.3 | 0 | 0 | 114 | |||||
| 367 | L | 31.2 | Very low | 34.5 | Very low | 122 Ų | 122 | 146.3 Ų | 146.3 | 64% | 0.639 | 75% | 0.748 | S | S | * | * | cis | -159.4 | 128.6 | -0.2 | -107.5 | 160.2 | 0 | 0 | 0 | 111.1 | ||||
| 368 | Q | 32 | Very low | 35.1 | Very low | 174 Ų | 174 | 143.3 Ų | 143.3 | 81% | 0.813 | 75% | 0.752 | S | S | * | * | trans | 60.3 | -178.3 | 132.5 | -110.7 | -175.5 | -12.9 | 0 | 0 | 121.5 | ||||
| 369 | P | 57 | Low | 35.5 | Very low | 103 Ų | 103 | 144.8 Ų | 144.8 | 67% | 0.669 | 76% | 0.761 | S | S | * | * | -130.5 | 175 | -125.3 | 44.8 | -26.9 | 0 | 0 | 0 | 117.9 | |||||
| 370 | N | 29.6 | Very low | 36.3 | Very low | 172 Ų | 172 | 143.1 Ų | 143.1 | 92% | 0.92 | 76% | 0.757 | S | S | * | * | trans | -177.8 | 159.7 | 151.5 | -93.8 | -39.2 | 0 | 0 | 0 | 108.2 | ||||
| 371 | G | 31 | Very low | 37 | Very low | 64 Ų | 64 | 146.5 Ų | 146.5 | 66% | 0.66 | 79% | 0.786 | S | S | * | * | cis | -178 | -179.6 | -0.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 372 | E | 34.1 | Very low | 37.1 | Very low | 172 Ų | 172 | 143.9 Ų | 143.9 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | -72.4 | 153.2 | -169.7 | -53.2 | 126 | 101.8 | 0 | 0 | 116.2 | ||||
| 373 | R | 35.6 | Very low | 37.3 | Very low | 241 Ų | 241 | 145.1 Ų | 145.1 | 91% | 0.909 | 79% | 0.786 | S | S | * | * | -176.3 | 141.5 | 110.5 | -102.6 | 162.1 | -67.1 | 162.4 | 1.5 | 115.6 | |||||
| 374 | D | 36.9 | Very low | 37.6 | Very low | 137 Ų | 137 | 144.8 Ų | 144.8 | 73% | 0.733 | 78% | 0.78 | S | S | * | * | trans | -70.5 | 156.8 | 156.5 | -54.4 | -76.8 | 0 | 0 | 0 | 111.9 | ||||
| 375 | Y | 37.9 | Very low | 37.9 | Very low | 202 Ų | 202 | 147.7 Ų | 147.7 | 79% | 0.792 | 79% | 0.792 | S | S | * | * | 175.6 | 123.8 | 107.9 | -111.4 | -98.9 | 0 | 0 | 0 | 114.1 | |||||
| 376 | N | 34.3 | Very low | 38.3 | Very low | 114 Ų | 114 | 149 Ų | 149 | 61% | 0.61 | 79% | 0.793 | S | S | * | * | trans | 52.9 | 126.1 | 139.9 | -74.1 | 7.3 | 0 | 0 | 0 | 125.6 | ||||
| 377 | I | 41.5 | Very low | 38.8 | Very low | 145 Ų | 145 | 148.9 Ų | 148.9 | 74% | 0.744 | 80% | 0.799 | S | S | * | * | 53.1 | 117.9 | 118.7 | -50.9 | 168.4 | 0 | 0 | 0 | 119 | |||||
| 378 | A | 42.9 | Very low | 39.4 | Very low | 103 Ų | 103 | 150.9 Ų | 150.9 | 85% | 0.851 | 81% | 0.811 | S | S | * | * | trans | -134.5 | 149.1 | 137.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 379 | N | 42 | Very low | 39.9 | Very low | 147 Ų | 147 | 149.1 Ų | 149.1 | 79% | 0.786 | 81% | 0.81 | S | S | * | * | trans | -127.1 | 172.2 | -177 | -148.1 | 3 | 0 | 0 | 0 | 108.8 | ||||
| 380 | T | 46.8 | Very low | 38.5 | Very low | 128 Ų | 128 | 152.9 Ų | 152.9 | 79% | 0.785 | 82% | 0.822 | S | S | * | * | trans | 72 | 151.6 | -178.1 | 83.2 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 381 | V | 49.7 | Very low | 39.3 | Very low | 210 Ų | 210 | 151.2 Ų | 151.2 | 100% | 1.273 | 81% | 0.813 | S | S | * | * | cis | -113.1 | 0 | 6.8 | 177 | 0 | 0 | 0 | 0 | 111.4 |
Retrieved 381 of 381 residues in 60.2 ms
(Link to these results)