| 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 | 48.3 | Very low | 82.6 | Confident | 157 Ų | 157 | 53 Ų | 53 | 77% | 0.773 | 27% | 0.266 | S | S | * | . | 0 | -44.7 | 0 | -84.2 | -178.9 | -91.8 | 0 | 0 | 111.1 | N3 F4 | M1-N3 PolarHBondContact O-N 2.92Å; M1-F4 PolarHBondContact O-N 3.35Å | |||
| 2 | D | 57.9 | Low | 83.3 | Confident | 127 Ų | 127 | 48.6 Ų | 48.6 | 68% | 0.679 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -50.1 | -35.9 | -178.2 | -55.4 | -18.7 | 0 | 0 | 0 | 115.4 | F4 I5 D6 | D2-F4 PolarHBondContact O-N 3.09Å; D2-I5 PolarHBondContact O-N 2.89Å; D2-D6 PolarHBondContact O-N 3.31Å |
| 3 | N | 80.2 | Confident | 83.6 | Confident | 109 Ų | 109 | 50.4 Ų | 50.4 | 58% | 0.583 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -64.2 | -36.6 | -179.9 | -163.9 | 18.1 | 0 | 0 | 0 | 113.2 | M1 I5 I7 | M1-N3 PolarHBondContact O-N 2.92Å; N3-I5 VanDerWaalsContact C-N 3.35Å; N3-I5 PolarHBondContact O-N 3.45Å; N3-I7 WeakPolarHBondContact O-CB 3.43Å; N3-I7 WeakPolarHBondContact O-CD1 3.36Å; N3-I7 WeakPolarHBondContact O-CG1 3.17Å; N3-I7 PolarHBondContact O-N 3.14Å; N3-I7 WeakPolarHBondContact OD1-CD1 3.38Å |
| 4 | F | 87.6 | Confident | 83.5 | Confident | 75 Ų | 75 | 52 Ų | 52 | 33% | 0.329 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -66.7 | -39.6 | -179.4 | -73.2 | -81.5 | 0 | 0 | 0 | 111.4 | M1 D2 I7 F8 W41 F45 F58 L62 | M1-F4 PolarHBondContact O-N 3.35Å; D2-F4 PolarHBondContact O-N 3.09Å; F4-I7 PolarHBondContact O-N 2.9Å; F4-F8 WeakPolarHBondContact O-CB 3.37Å; F4-F8 PolarHBondContact O-N 2.84Å; F4-W41 AromaticContact CD1-CE2 3.84Å; F4-W41 HydrophobicContact CD1-CH2 4.33Å; F4-W41 AromaticContact CD1-CZ2 3.53Å; F4-W41 HydrophobicContact CD1-CZ2 3.53Å; F4-W41 AromaticContact CD1-NE1 3.96Å; F4-W41 HydrophobicContact CE1-CZ2 4.25Å; F4-W41 AromaticContact CE1-NE1 3.78Å; F4-W41 HydrophobicContact CG-CZ2 4.48Å; F4-F45 AromaticContact CD1-CE2 3.99Å; F4-F45 HydrophobicContact CD1-CE2 3.99Å; F4-F45 AromaticContact CD1-CZ 3.91Å; F4-F45 HydrophobicContact CD1-CZ 3.91Å; F4-F45 HydrophobicContact CE1-CE2 4.17Å; F4-F45 HydrophobicContact CE1-CZ 4.18Å; F4-F45 HydrophobicContact CG-CZ 4.48Å; F4-F58 HydrophobicContact CB-CE2 4.28Å; F4-F58 HydrophobicContact CB-CZ 3.89Å; F4-F58 WeakPolarHBondContact O-CZ 3.44Å; F4-L62 HydrophobicContact CB-CD1 4.11Å |
| 5 | I | 89 | Confident | 83.6 | Confident | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67.5 | -44.7 | -178.1 | -55.2 | 164.5 | 0 | 0 | 0 | 110.8 | D2 N3 I7 F8 S9 L62 I64 Y69 I72 | D2-I5 PolarHBondContact O-N 2.89Å; N3-I5 VanDerWaalsContact C-N 3.35Å; N3-I5 PolarHBondContact O-N 3.45Å; I5-I7 VanDerWaalsContact C-N 3.34Å; I5-F8 PolarHBondContact O-N 3.36Å; I5-S9 WeakPolarHBondContact O-CB 3.46Å; I5-S9 PolarHBondContact O-N 2.99Å; I5-S9 PolarHBondContact O-OG 3.07Å; I5-L62 HydrophobicContact CG1-CD1 4.44Å; I5-I64 HydrophobicContact CD1-CD1 3.38Å; I5-I64 HydrophobicContact CG1-CD1 3.69Å; I5-Y69 HydrophobicContact CG2-CD2 3.61Å; I5-Y69 HydrophobicContact CG2-CE2 3.94Å; I5-I72 HydrophobicContact CB-CG2 4.35Å; I5-I72 HydrophobicContact CD1-CD1 3.54Å; I5-I72 HydrophobicContact CG2-CB 3.95Å; I5-I72 HydrophobicContact CG2-CD1 4Å; I5-I72 HydrophobicContact CG2-CG2 3.56Å |
| 6 | D | 87.6 | Confident | 83.8 | Confident | 37 Ų | 37 | 52.9 Ų | 52.9 | 20% | 0.198 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.9 | -41.1 | 177.7 | -175.2 | 53.3 | 0 | 0 | 0 | 110.9 | D2 S9 K10 T76 | D2-D6 PolarHBondContact O-N 3.31Å; D6-S9 PolarHBondContact O-N 3.04Å; D6-K10 WeakPolarHBondContact O-CB 3.31Å; D6-K10 VanDerWaalsContact O-CG 3.31Å; D6-K10 WeakPolarHBondContact O-CG 3.35Å; D6-K10 PolarHBondContact O-N 3.26Å; D6-K10 IonicContact OD1-NZ 3.79Å; D6-K10 WeakPolarHBondContact OD2-CE 3.38Å; D6-K10 IonicContact OD2-NZ 2.66Å; D6-K10 PolarHBondContact OD2-NZ 3.38Å; D6-T76 WeakPolarHBondContact OD1-CG2 3.49Å; D6-T76 PolarHBondContact OD1-OG1 3.15Å |
| 7 | I | 90.7 | Very high | 84.1 | Confident | 22 Ų | 22 | 52.5 Ų | 52.5 | 11% | 0.113 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.9 | -49 | 173.5 | -70.2 | 167.3 | 0 | 0 | 0 | 110.8 | N3 F4 I5 S9 K10 I11 F27 M37 W41 | N3-I7 WeakPolarHBondContact O-CB 3.43Å; N3-I7 WeakPolarHBondContact O-CD1 3.36Å; N3-I7 WeakPolarHBondContact O-CG1 3.17Å; N3-I7 PolarHBondContact O-N 3.14Å; N3-I7 WeakPolarHBondContact OD1-CD1 3.38Å; F4-I7 PolarHBondContact O-N 2.9Å; I5-I7 VanDerWaalsContact C-N 3.34Å; I7-S9 VanDerWaalsContact C-N 3.29Å; I7-S9 PolarHBondContact O-N 3.14Å; I7-K10 PolarHBondContact O-N 3.47Å; I7-K10 VanDerWaalsContact O-N 3.09Å; I7-I11 HydrophobicContact CG2-CD1 3.5Å; I7-I11 HydrophobicContact CG2-CG1 4.23Å; I7-I11 VanDerWaalsContact O-CG1 3.26Å; I7-I11 WeakPolarHBondContact O-CG1 3.34Å; I7-I11 PolarHBondContact O-N 3.08Å; I7-F27 HydrophobicContact CG2-CD1 4.46Å; I7-F27 HydrophobicContact CG2-CE1 3.83Å; I7-F27 HydrophobicContact CG2-CZ 4.23Å; I7-M37 HydrophobicContact CD1-CE 4.35Å; I7-M37 HydrophobicContact CG2-CE 3.87Å; I7-W41 HydrophobicContact CB-CH2 4.1Å; I7-W41 HydrophobicContact CB-CZ2 3.99Å; I7-W41 HydrophobicContact CG2-CH2 3.63Å; I7-W41 HydrophobicContact CG2-CZ2 3.49Å; I7-W41 VanDerWaalsContact CG2-CZ2 3.49Å |
| 8 | F | 92.9 | Very high | 84.6 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -55.6 | -48.7 | 177.7 | -171 | -69.5 | 0 | 0 | 0 | 110.4 | F4 I5 K10 I11 D12 I19 W41 I53 L55 F58 Y69 | F4-F8 WeakPolarHBondContact O-CB 3.37Å; F4-F8 PolarHBondContact O-N 2.84Å; I5-F8 PolarHBondContact O-N 3.36Å; F8-K10 PolarHBondContact O-N 3.26Å; F8-I11 PolarHBondContact O-N 2.87Å; F8-I11 VanDerWaalsContact O-N 3.07Å; F8-D12 HydrophobicContact CD1-CB 4.21Å; F8-D12 HydrophobicContact CE1-CB 3.87Å; F8-D12 PolarHBondContact O-N 3.4Å; F8-I19 HydrophobicContact CB-CD1 4.24Å; F8-I19 HydrophobicContact CD1-CD1 3.98Å; F8-I19 HydrophobicContact CD2-CD1 3.31Å; F8-I19 HydrophobicContact CD2-CG1 4.26Å; F8-I19 HydrophobicContact CE1-CD1 4.09Å; F8-I19 HydrophobicContact CE1-CG1 4.25Å; F8-I19 HydrophobicContact CE2-CD1 3.45Å; F8-I19 VanDerWaalsContact CE2-CD1 3.45Å; F8-I19 HydrophobicContact CE2-CG1 3.89Å; F8-I19 HydrophobicContact CG-CD1 3.59Å; F8-I19 HydrophobicContact CZ-CD1 3.84Å; F8-I19 HydrophobicContact CZ-CG1 3.88Å; F8-W41 HydrophobicContact CB-CH2 4.25Å; F8-W41 HydrophobicContact CB-CZ3 4.41Å; F8-W41 HydrophobicContact CD2-CZ3 4.18Å; F8-I53 HydrophobicContact CE2-CG2 4.07Å; F8-L55 HydrophobicContact CD1-CD1 4.34Å; F8-L55 HydrophobicContact CE1-CB 4.41Å; F8-L55 HydrophobicContact CE1-CD1 3.89Å; F8-L55 HydrophobicContact CZ-CB 4.05Å; F8-L55 HydrophobicContact CZ-CD1 4.05Å; F8-F58 HydrophobicContact CB-CD1 4.45Å; F8-F58 HydrophobicContact CB-CE1 3.81Å; F8-F58 HydrophobicContact CB-CE2 4.38Å; F8-F58 HydrophobicContact CB-CZ 3.76Å; F8-F58 HydrophobicContact CD2-CB 4.13Å; F8-F58 AromaticContact CD2-CD1 3.59Å; F8-F58 HydrophobicContact CD2-CD1 3.59Å; F8-F58 AromaticContact CD2-CD2 3.7Å; F8-F58 HydrophobicContact CD2-CD2 3.7Å; F8-F58 AromaticContact CD2-CE1 3.79Å; F8-F58 HydrophobicContact CD2-CE1 3.79Å; F8-F58 AromaticContact CD2-CE2 3.91Å; F8-F58 HydrophobicContact CD2-CE2 3.91Å; F8-F58 AromaticContact CD2-CG 3.53Å; F8-F58 HydrophobicContact CD2-CG 3.53Å; F8-F58 AromaticContact CD2-CZ 3.93Å; F8-F58 HydrophobicContact CD2-CZ 3.93Å; F8-F58 HydrophobicContact CE2-CB 3.87Å; F8-F58 HydrophobicContact CE2-CD1 4.07Å; F8-F58 HydrophobicContact CE2-CD2 4.23Å; F8-F58 AromaticContact CE2-CG 3.8Å; F8-F58 HydrophobicContact CE2-CG 3.8Å; F8-F58 HydrophobicContact CG-CD1 4.07Å; F8-F58 AromaticContact CG-CE1 3.94Å; F8-F58 HydrophobicContact CG-CE1 3.94Å; F8-F58 HydrophobicContact CG-CG 4.44Å; F8-F58 HydrophobicContact CG-CZ 4.19Å; F8-Y69 HydrophobicContact CD1-CE2 4.09Å; F8-Y69 AromaticContact CD1-CZ 3.94Å; F8-Y69 WeakPolarHBondContact CD1-OH 3.39Å; F8-Y69 WeakPolarHBondContact CE1-OH 3.49Å |
| 9 | S | 90.9 | Very high | 85.1 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.3 | -30.3 | -179.8 | -58.5 | 0 | 0 | 0 | 0 | 112.9 | I5 D6 I7 F84 | I5-S9 WeakPolarHBondContact O-CB 3.46Å; I5-S9 PolarHBondContact O-N 2.99Å; I5-S9 PolarHBondContact O-OG 3.07Å; D6-S9 PolarHBondContact O-N 3.04Å; I7-S9 VanDerWaalsContact C-N 3.29Å; I7-S9 PolarHBondContact O-N 3.14Å; S9-F84 VanDerWaalsContact O-CE1 3.3Å; S9-F84 WeakPolarHBondContact O-CE1 3.42Å; S9-F84 WeakPolarHBondContact O-CZ 3.37Å |
| 10 | K | 90.7 | Very high | 85.5 | Confident | 48 Ų | 48 | 49 Ų | 49 | 21% | 0.209 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -82.6 | -22.3 | 176.6 | -73.5 | 170.4 | 175.4 | 169.2 | 0 | 113.7 | D6 I7 F8 K13 F27 T76 L83 | D6-K10 WeakPolarHBondContact O-CB 3.31Å; D6-K10 VanDerWaalsContact O-CG 3.31Å; D6-K10 WeakPolarHBondContact O-CG 3.35Å; D6-K10 PolarHBondContact O-N 3.26Å; D6-K10 IonicContact OD1-NZ 3.79Å; D6-K10 WeakPolarHBondContact OD2-CE 3.38Å; D6-K10 IonicContact OD2-NZ 2.66Å; D6-K10 PolarHBondContact OD2-NZ 3.38Å; I7-K10 PolarHBondContact O-N 3.47Å; I7-K10 VanDerWaalsContact O-N 3.09Å; F8-K10 PolarHBondContact O-N 3.26Å; K10-K13 WeakPolarHBondContact O-CE 3.14Å; K10-K13 WeakPolarHBondContact O-CG 3.38Å; K10-F27 HydrophobicContact CB-CE2 3.83Å; K10-F27 HydrophobicContact CB-CZ 4.41Å; K10-T76 HydrophobicContact CG-CG2 3.89Å; K10-L83 HydrophobicContact CG-CD1 4.3Å |
| 11 | I | 92.8 | Very high | 85.8 | Confident | 6 Ų | 6 | 50.4 Ų | 50.4 | 3% | 0.031 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -83 | -50.2 | 176.2 | -62.5 | 163.4 | 0 | 0 | 0 | 110.2 | I7 F8 K13 I19 E23 L24 F27 W41 | I7-I11 HydrophobicContact CG2-CD1 3.5Å; I7-I11 HydrophobicContact CG2-CG1 4.23Å; I7-I11 VanDerWaalsContact O-CG1 3.26Å; I7-I11 WeakPolarHBondContact O-CG1 3.34Å; I7-I11 PolarHBondContact O-N 3.08Å; F8-I11 PolarHBondContact O-N 2.87Å; F8-I11 VanDerWaalsContact O-N 3.07Å; I11-K13 PolarHBondContact O-N 3.26Å; I11-I19 HydrophobicContact CB-CD1 3.76Å; I11-I19 HydrophobicContact CB-CG1 4.22Å; I11-I19 HydrophobicContact CD1-CD1 4.09Å; I11-I19 HydrophobicContact CG2-CB 4.3Å; I11-I19 HydrophobicContact CG2-CD1 3.81Å; I11-I19 HydrophobicContact CG2-CG1 3.83Å; I11-I19 HydrophobicContact CG2-CG2 3.58Å; I11-E23 HydrophobicContact CG2-CB 3.87Å; I11-L24 HydrophobicContact CD1-CD1 3.67Å; I11-F27 HydrophobicContact CD1-CB 4.45Å; I11-F27 HydrophobicContact CD1-CD1 4.01Å; I11-F27 HydrophobicContact CD1-CE1 4.48Å; I11-F27 HydrophobicContact CD1-CG 4.16Å; I11-F27 HydrophobicContact CG1-CB 3.76Å; I11-F27 HydrophobicContact CG1-CD1 3.79Å; I11-F27 HydrophobicContact CG1-CD2 3.69Å; I11-F27 HydrophobicContact CG1-CE1 4.3Å; I11-F27 HydrophobicContact CG1-CE2 4.22Å; I11-F27 HydrophobicContact CG1-CG 3.46Å; I11-F27 VanDerWaalsContact CG1-CG 3.46Å; I11-W41 HydrophobicContact CD1-CH2 4.46Å; I11-W41 HydrophobicContact CD1-CZ3 4.37Å |
| 12 | D | 91.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | trans | -75.2 | 74.1 | 177.6 | 178.1 | 0.7 | 0 | 0 | 0 | 110.3 | F8 N14 Y15 D16 D17 I19 R73 | F8-D12 HydrophobicContact CD1-CB 4.21Å; F8-D12 HydrophobicContact CE1-CB 3.87Å; F8-D12 PolarHBondContact O-N 3.4Å; D12-N14 PolarHBondContact OD1-OD1 3.47Å; D12-Y15 VanDerWaalsContact OD1-CA 3.23Å; D12-Y15 WeakPolarHBondContact OD1-CA 3.47Å; D12-Y15 PolarHBondContact OD1-N 3.34Å; D12-D16 PolarHBondContact OD1-N 2.88Å; D12-D17 VanDerWaalsContact OD2-CA 3.31Å; D12-D17 WeakPolarHBondContact OD2-CA 3.39Å; D12-D17 PolarHBondContact OD2-N 3.01Å; D12-I19 HydrophobicContact CB-CG1 4.19Å; D12-R73 PolarHBondContact O-NH2 2.89Å; D12-R73 IonicContact OD1-NH2 2.81Å; D12-R73 PolarHBondContact OD1-NH2 3.39Å; D12-R73 VanDerWaalsContact OD1-NH2 3.12Å; D12-R73 IonicContact OD2-CZ 2.85Å; D12-R73 VanDerWaalsContact OD2-CZ 3.27Å; D12-R73 IonicContact OD2-NH1 3.27Å; D12-R73 PolarHBondContact OD2-NH1 2.88Å; D12-R73 VanDerWaalsContact OD2-NH1 3.15Å; D12-R73 IonicContact OD2-NH2 3.63Å; D12-R73 PolarHBondContact OD2-NH2 3.03Å | ||
| 13 | K | 86.7 | Confident | 89.6 | Confident | 72 Ų | 72 | 46.6 Ų | 46.6 | 31% | 0.313 | 23% | 0.23 | S | C | . | . | trans | -78.7 | -19.9 | -179.2 | -66.7 | 176.9 | -178.1 | 176.5 | 0 | 112.7 | K10 I11 E30 F84 | K10-K13 WeakPolarHBondContact O-CE 3.14Å; K10-K13 WeakPolarHBondContact O-CG 3.38Å; I11-K13 PolarHBondContact O-N 3.26Å; K13-E30 IonicContact NZ-OE2 2.83Å; K13-F84 HydrophobicContact CB-CD1 4.46Å; K13-F84 HydrophobicContact CG-CE1 4.43Å | ||
| 14 | N | 83.1 | Confident | 90.2 | Very high | 73 Ų | 73 | 41.4 Ų | 41.4 | 39% | 0.39 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -94.2 | -9.8 | -177.9 | 59.9 | -19.5 | 0 | 0 | 0 | 113.4 | D12 D16 | D12-N14 PolarHBondContact OD1-OD1 3.47Å; N14-D16 VanDerWaalsContact C-N 3.3Å; N14-D16 PolarHBondContact ND2-OD2 3.37Å; N14-D16 PolarHBondContact O-N 3.38Å; N14-D16 PolarHBondContact OD1-OD1 3.48Å |
| 15 | Y | 84.2 | Confident | 90.5 | Very high | 41 Ų | 41 | 41.5 Ų | 41.5 | 16% | 0.161 | 20% | 0.203 | C | C | . | . | trans | 62.9 | 35.4 | 177 | -143.1 | -79.9 | 0 | 0 | 0 | 113.3 | D12 R73 N107 | D12-Y15 VanDerWaalsContact OD1-CA 3.23Å; D12-Y15 WeakPolarHBondContact OD1-CA 3.47Å; D12-Y15 PolarHBondContact OD1-N 3.34Å; Y15-R73 VanDerWaalsContact CA-NH2 3.3Å; Y15-R73 HydrophobicContact CE2-CG 4.08Å; Y15-N107 HydrophobicContact CD1-CB 3.97Å; Y15-N107 HydrophobicContact CD2-CB 4.06Å; Y15-N107 WeakPolarHBondContact CD2-ND2 3.05Å; Y15-N107 HydrophobicContact CE1-CB 3.71Å; Y15-N107 HydrophobicContact CE2-CB 3.77Å; Y15-N107 WeakPolarHBondContact CE2-ND2 3.34Å; Y15-N107 HydrophobicContact CG-CB 4.15Å; Y15-N107 VanDerWaalsContact CG-CG 3.49Å | ||
| 16 | D | 86.3 | Confident | 90.7 | Very high | 78 Ų | 78 | 46.5 Ų | 46.5 | 42% | 0.417 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -94.1 | 2.8 | 173.7 | 71.5 | -1.4 | 0 | 0 | 0 | 113 | D12 N14 V18 | D12-D16 PolarHBondContact OD1-N 2.88Å; N14-D16 VanDerWaalsContact C-N 3.3Å; N14-D16 PolarHBondContact ND2-OD2 3.37Å; N14-D16 PolarHBondContact O-N 3.38Å; N14-D16 PolarHBondContact OD1-OD1 3.48Å; D16-V18 PolarHBondContact O-N 3.01Å; D16-V18 PolarHBondContact OD1-N 2.85Å |
| 17 | D | 90.4 | Very high | 90.9 | Very high | 45 Ų | 45 | 45.5 Ų | 45.5 | 24% | 0.241 | 22% | 0.219 | C | C | . | . | S | Bend | trans | 62.2 | 21.2 | -179 | -68.3 | -20.6 | 0 | 0 | 0 | 113 | D12 L55 R73 | D12-D17 VanDerWaalsContact OD2-CA 3.31Å; D12-D17 WeakPolarHBondContact OD2-CA 3.39Å; D12-D17 PolarHBondContact OD2-N 3.01Å; D17-L55 HydrophobicContact CB-CB 3.73Å; D17-L55 HydrophobicContact CB-CD2 4.05Å; D17-L55 WeakPolarHBondContact O-CB 3.09Å; D17-L55 PolarHBondContact O-N 3.25Å; D17-L55 WeakPolarHBondContact OD1-CD2 3.47Å; D17-R73 IonicContact OD1-NH1 2.81Å; D17-R73 PolarHBondContact OD1-NH1 3.41Å |
| 18 | V | 92.1 | Very high | 91 | Very high | 38 Ų | 38 | 44.7 Ų | 44.7 | 23% | 0.23 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 136.8 | 179 | -178.9 | 0 | 0 | 0 | 0 | 109.8 | D16 Y52 I53 | D16-V18 PolarHBondContact O-N 3.01Å; D16-V18 PolarHBondContact OD1-N 2.85Å; V18-Y52 HydrophobicContact CG1-CD2 3.93Å; V18-Y52 HydrophobicContact CG1-CG 4.18Å; V18-I53 WeakPolarHBondContact CA-O 3.44Å |
| 19 | I | 93.8 | Very high | 91 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 115.7 | 167.7 | -65.7 | 175.8 | 0 | 0 | 0 | 108.2 | F8 I11 D12 E23 L24 W41 Y52 I53 | F8-I19 HydrophobicContact CB-CD1 4.24Å; F8-I19 HydrophobicContact CD1-CD1 3.98Å; F8-I19 HydrophobicContact CD2-CD1 3.31Å; F8-I19 HydrophobicContact CD2-CG1 4.26Å; F8-I19 HydrophobicContact CE1-CD1 4.09Å; F8-I19 HydrophobicContact CE1-CG1 4.25Å; F8-I19 HydrophobicContact CE2-CD1 3.45Å; F8-I19 VanDerWaalsContact CE2-CD1 3.45Å; F8-I19 HydrophobicContact CE2-CG1 3.89Å; F8-I19 HydrophobicContact CG-CD1 3.59Å; F8-I19 HydrophobicContact CZ-CD1 3.84Å; F8-I19 HydrophobicContact CZ-CG1 3.88Å; I11-I19 HydrophobicContact CB-CD1 3.76Å; I11-I19 HydrophobicContact CB-CG1 4.22Å; I11-I19 HydrophobicContact CD1-CD1 4.09Å; I11-I19 HydrophobicContact CG2-CB 4.3Å; I11-I19 HydrophobicContact CG2-CD1 3.81Å; I11-I19 HydrophobicContact CG2-CG1 3.83Å; I11-I19 HydrophobicContact CG2-CG2 3.58Å; D12-I19 HydrophobicContact CB-CG1 4.19Å; I19-E23 HydrophobicContact CG2-CB 4.5Å; I19-L24 HydrophobicContact CG2-CB 3.95Å; I19-W41 HydrophobicContact CD1-CZ3 4.27Å; I19-Y52 WeakPolarHBondContact O-CA 3.37Å; I19-I53 HydrophobicContact CB-CB 4.32Å; I19-I53 PolarHBondContact N-O 3.33Å; I19-I53 PolarHBondContact O-N 3.39Å |
| 20 | T | 93.1 | Very high | 91.1 | Very high | 49 Ų | 49 | 57.6 Ų | 57.6 | 30% | 0.301 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 155.7 | 170.1 | 64.2 | 0 | 0 | 0 | 0 | 110.9 | E22 E23 L24 | T20-E22 PolarHBondContact O-N 3.28Å; T20-E23 WeakPolarHBondContact CB-OE2 3.24Å; T20-E23 WeakPolarHBondContact CG2-OE2 3.38Å; T20-E23 PolarHBondContact N-OE2 3.28Å; T20-E23 PolarHBondContact O-N 3.25Å; T20-E23 WeakPolarHBondContact OG1-CB 3.41Å; T20-E23 VanDerWaalsContact OG1-CD 3.25Å; T20-E23 VanDerWaalsContact OG1-CG 3.24Å; T20-E23 WeakPolarHBondContact OG1-CG 3.47Å; T20-E23 PolarHBondContact OG1-N 3.29Å; T20-E23 PolarHBondContact OG1-OE2 3.27Å; T20-L24 PolarHBondContact O-N 2.88Å |
| 21 | K | 91.9 | Very high | 91.1 | Very high | 80 Ų | 80 | 59.1 Ų | 59.1 | 35% | 0.348 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -54 | -38.2 | 171.9 | -177.9 | 174.4 | 178.5 | 178.6 | 0 | 112.2 | L24 E25 V38 L42 N51 | K21-L24 PolarHBondContact O-N 3.16Å; K21-E25 WeakPolarHBondContact CE-OE1 3.48Å; K21-E25 HydrophobicContact CG-CG 4.35Å; K21-E25 WeakPolarHBondContact O-CB 3.45Å; K21-E25 VanDerWaalsContact O-CG 3.31Å; K21-E25 WeakPolarHBondContact O-CG 3.27Å; K21-E25 PolarHBondContact O-N 3.15Å; K21-V38 HydrophobicContact CG-CG1 4.22Å; K21-L42 HydrophobicContact CD-CD1 4.08Å; K21-L42 HydrophobicContact CG-CD1 4.15Å; K21-N51 PolarHBondContact N-O 3.14Å |
| 22 | E | 92.4 | Very high | 91 | Very high | 155 Ų | 155 | 67.3 Ų | 67.3 | 72% | 0.724 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -65 | -42.9 | 179.7 | -66.7 | 172.7 | -172.8 | 0 | 0 | 112.1 | T20 E25 K26 | T20-E22 PolarHBondContact O-N 3.28Å; E22-E25 PolarHBondContact O-N 3.22Å; E22-K26 VanDerWaalsContact O-CB 3.23Å; E22-K26 WeakPolarHBondContact O-CB 3.45Å; E22-K26 PolarHBondContact O-N 3.38Å |
| 23 | E | 93 | Very high | 90.9 | Very high | 48 Ų | 48 | 70.8 Ų | 70.8 | 22% | 0.224 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.6 | -41.8 | 175.7 | -73.3 | 162.1 | 144.4 | 0 | 0 | 111.8 | I11 I19 T20 K26 F27 | I11-E23 HydrophobicContact CG2-CB 3.87Å; I19-E23 HydrophobicContact CG2-CB 4.5Å; T20-E23 WeakPolarHBondContact CB-OE2 3.24Å; T20-E23 WeakPolarHBondContact CG2-OE2 3.38Å; T20-E23 PolarHBondContact N-OE2 3.28Å; T20-E23 PolarHBondContact O-N 3.25Å; T20-E23 WeakPolarHBondContact OG1-CB 3.41Å; T20-E23 VanDerWaalsContact OG1-CD 3.25Å; T20-E23 VanDerWaalsContact OG1-CG 3.24Å; T20-E23 WeakPolarHBondContact OG1-CG 3.47Å; T20-E23 PolarHBondContact OG1-N 3.29Å; T20-E23 PolarHBondContact OG1-OE2 3.27Å; E23-K26 PolarHBondContact O-N 3.23Å; E23-F27 WeakPolarHBondContact O-CB 3.43Å; E23-F27 PolarHBondContact O-N 2.68Å |
| 24 | L | 93.1 | Very high | 91.1 | Very high | 1 Ų | 1 | 71.7 Ų | 71.7 | 1% | 0.005 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -65.4 | -43.6 | 177.2 | -174.9 | 61.4 | 0 | 0 | 0 | 112 | I11 I19 T20 K21 F27 T28 V38 W41 L42 I53 | I11-L24 HydrophobicContact CD1-CD1 3.67Å; I19-L24 HydrophobicContact CG2-CB 3.95Å; T20-L24 PolarHBondContact O-N 2.88Å; K21-L24 PolarHBondContact O-N 3.16Å; L24-F27 PolarHBondContact O-N 3.48Å; L24-T28 WeakPolarHBondContact O-CB 3.36Å; L24-T28 PolarHBondContact O-N 3.38Å; L24-T28 PolarHBondContact O-OG1 3.08Å; L24-V38 HydrophobicContact CD2-CB 4.4Å; L24-V38 HydrophobicContact CD2-CG1 4.06Å; L24-V38 HydrophobicContact CG-CG1 4.35Å; L24-V38 HydrophobicContact CG-CG2 4.3Å; L24-W41 HydrophobicContact CD1-CB 4.42Å; L24-W41 HydrophobicContact CD1-CD2 4.25Å; L24-W41 HydrophobicContact CD1-CE3 4.24Å; L24-W41 HydrophobicContact CD1-CG 4.35Å; L24-W41 HydrophobicContact CD2-CB 3.7Å; L24-W41 HydrophobicContact CD2-CG 4.47Å; L24-L42 HydrophobicContact CD2-CG 4.46Å; L24-I53 HydrophobicContact CD2-CD1 4.3Å |
| 25 | E | 94 | Very high | 91.3 | Very high | 76 Ų | 76 | 76.8 Ų | 76.8 | 36% | 0.355 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63.4 | -41.8 | 174.5 | -78.3 | -179 | 178.9 | 0 | 0 | 112 | K21 E22 T28 R29 V38 | K21-E25 WeakPolarHBondContact CE-OE1 3.48Å; K21-E25 HydrophobicContact CG-CG 4.35Å; K21-E25 WeakPolarHBondContact O-CB 3.45Å; K21-E25 VanDerWaalsContact O-CG 3.31Å; K21-E25 WeakPolarHBondContact O-CG 3.27Å; K21-E25 PolarHBondContact O-N 3.15Å; E22-E25 PolarHBondContact O-N 3.22Å; E25-T28 PolarHBondContact O-N 2.85Å; E25-R29 WeakPolarHBondContact O-CB 2.97Å; E25-R29 PolarHBondContact O-N 3.22Å; E25-V38 HydrophobicContact CG-CB 4.49Å; E25-V38 HydrophobicContact CG-CG1 3.86Å; E25-V38 HydrophobicContact CG-CG2 3.89Å |
| 26 | K | 93.8 | Very high | 91.6 | Very high | 108 Ų | 108 | 80 Ų | 80 | 47% | 0.47 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.1 | -48.9 | 176.4 | -179.2 | 177.8 | 175.3 | -179.6 | 0 | 110.8 | E22 E23 T28 R29 E30 | E22-K26 VanDerWaalsContact O-CB 3.23Å; E22-K26 WeakPolarHBondContact O-CB 3.45Å; E22-K26 PolarHBondContact O-N 3.38Å; E23-K26 PolarHBondContact O-N 3.23Å; K26-T28 VanDerWaalsContact C-N 3.34Å; K26-T28 PolarHBondContact O-N 3.33Å; K26-R29 PolarHBondContact O-N 3.19Å; K26-E30 WeakPolarHBondContact CE-OE1 3.45Å; K26-E30 HydrophobicContact CG-CG 4.37Å; K26-E30 WeakPolarHBondContact CG-OE1 3.42Å; K26-E30 IonicContact NZ-OE1 2.84Å; K26-E30 WeakPolarHBondContact O-CB 3.45Å; K26-E30 WeakPolarHBondContact O-CG 3.47Å; K26-E30 PolarHBondContact O-N 3.16Å |
| 27 | F | 92.8 | Very high | 91.8 | Very high | 16 Ų | 16 | 77.6 Ų | 77.6 | 7% | 0.07 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -60.2 | -43.9 | 177.7 | -178.9 | -93.8 | 0 | 0 | 0 | 112.1 | I7 K10 I11 E23 L24 R29 E30 N31 L33 | I7-F27 HydrophobicContact CG2-CD1 4.46Å; I7-F27 HydrophobicContact CG2-CE1 3.83Å; I7-F27 HydrophobicContact CG2-CZ 4.23Å; K10-F27 HydrophobicContact CB-CE2 3.83Å; K10-F27 HydrophobicContact CB-CZ 4.41Å; I11-F27 HydrophobicContact CD1-CB 4.45Å; I11-F27 HydrophobicContact CD1-CD1 4.01Å; I11-F27 HydrophobicContact CD1-CE1 4.48Å; I11-F27 HydrophobicContact CD1-CG 4.16Å; I11-F27 HydrophobicContact CG1-CB 3.76Å; I11-F27 HydrophobicContact CG1-CD1 3.79Å; I11-F27 HydrophobicContact CG1-CD2 3.69Å; I11-F27 HydrophobicContact CG1-CE1 4.3Å; I11-F27 HydrophobicContact CG1-CE2 4.22Å; I11-F27 HydrophobicContact CG1-CG 3.46Å; I11-F27 VanDerWaalsContact CG1-CG 3.46Å; E23-F27 WeakPolarHBondContact O-CB 3.43Å; E23-F27 PolarHBondContact O-N 2.68Å; L24-F27 PolarHBondContact O-N 3.48Å; F27-R29 VanDerWaalsContact C-N 3.29Å; F27-R29 PolarHBondContact O-N 3.3Å; F27-E30 PolarHBondContact O-N 2.99Å; F27-N31 VanDerWaalsContact CD2-ND2 3.33Å; F27-N31 WeakPolarHBondContact CD2-ND2 3.31Å; F27-N31 VanDerWaalsContact CE2-ND2 3.28Å; F27-N31 WeakPolarHBondContact CE2-ND2 3.49Å; F27-N31 WeakPolarHBondContact O-CB 3.26Å; F27-N31 PolarHBondContact O-N 3.39Å; F27-N31 PolarHBondContact O-ND2 2.94Å; F27-L33 HydrophobicContact CD1-CD1 4.08Å; F27-L33 HydrophobicContact CE1-CD1 3.7Å |
| 28 | T | 92.6 | Very high | 91.8 | Very high | 4 Ų | 4 | 75.8 Ų | 75.8 | 3% | 0.025 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -58.9 | -42.4 | 177.3 | -58.1 | 0 | 0 | 0 | 0 | 111 | L24 E25 K26 H32 L33 D34 V38 | L24-T28 WeakPolarHBondContact O-CB 3.36Å; L24-T28 PolarHBondContact O-N 3.38Å; L24-T28 PolarHBondContact O-OG1 3.08Å; E25-T28 PolarHBondContact O-N 2.85Å; K26-T28 VanDerWaalsContact C-N 3.34Å; K26-T28 PolarHBondContact O-N 3.33Å; T28-H32 PolarHBondContact O-N 2.91Å; T28-L33 HydrophobicContact CG2-CB 3.85Å; T28-L33 WeakPolarHBondContact CG2-O 3.2Å; T28-L33 PolarHBondContact O-N 3.45Å; T28-D34 WeakPolarHBondContact CG2-O 3.28Å; T28-V38 HydrophobicContact CG2-CG2 4.36Å |
| 29 | R | 93.1 | Very high | 91.8 | Very high | 174 Ų | 174 | 78.3 Ų | 78.3 | 66% | 0.657 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -69 | -47.1 | 178.8 | -167.5 | -170.8 | -46.1 | 157.1 | 8.7 | 112.6 | E25 K26 F27 N31 H32 | E25-R29 WeakPolarHBondContact O-CB 2.97Å; E25-R29 PolarHBondContact O-N 3.22Å; K26-R29 PolarHBondContact O-N 3.19Å; F27-R29 VanDerWaalsContact C-N 3.29Å; F27-R29 PolarHBondContact O-N 3.3Å; R29-N31 VanDerWaalsContact C-N 3.27Å; R29-N31 PolarHBondContact O-N 3.08Å; R29-H32 PolarHBondContact O-N 3.09Å |
| 30 | E | 92.1 | Very high | 91.6 | Very high | 97 Ų | 97 | 84.9 Ų | 84.9 | 45% | 0.453 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -64 | -32.3 | -178.8 | -74.2 | 177.3 | 174.9 | 0 | 0 | 112.2 | K13 K26 F27 | K13-E30 IonicContact NZ-OE2 2.83Å; K26-E30 WeakPolarHBondContact CE-OE1 3.45Å; K26-E30 HydrophobicContact CG-CG 4.37Å; K26-E30 WeakPolarHBondContact CG-OE1 3.42Å; K26-E30 IonicContact NZ-OE1 2.84Å; K26-E30 WeakPolarHBondContact O-CB 3.45Å; K26-E30 WeakPolarHBondContact O-CG 3.47Å; K26-E30 PolarHBondContact O-N 3.16Å; F27-E30 PolarHBondContact O-N 2.99Å |
| 31 | N | 90.8 | Very high | 91.6 | Very high | 81 Ų | 81 | 82.9 Ų | 82.9 | 43% | 0.433 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | 9.9 | -178.9 | -65.7 | -88.4 | 0 | 0 | 0 | 113.5 | F27 R29 L33 | F27-N31 VanDerWaalsContact CD2-ND2 3.33Å; F27-N31 WeakPolarHBondContact CD2-ND2 3.31Å; F27-N31 VanDerWaalsContact CE2-ND2 3.28Å; F27-N31 WeakPolarHBondContact CE2-ND2 3.49Å; F27-N31 WeakPolarHBondContact O-CB 3.26Å; F27-N31 PolarHBondContact O-N 3.39Å; F27-N31 PolarHBondContact O-ND2 2.94Å; R29-N31 VanDerWaalsContact C-N 3.27Å; R29-N31 PolarHBondContact O-N 3.08Å; N31-L33 HydrophobicContact CB-CD1 3.94Å; N31-L33 HydrophobicContact CB-CG 3.83Å; N31-L33 PolarHBondContact O-N 2.93Å |
| 32 | H | 90.1 | Very high | 91.6 | Very high | 178 Ų | 178 | 79.8 Ų | 79.8 | 82% | 0.824 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | 38.6 | -179.2 | -55.2 | -66.6 | 0 | 0 | 0 | 114.1 | T28 R29 | T28-H32 PolarHBondContact O-N 2.91Å; R29-H32 PolarHBondContact O-N 3.09Å |
| 33 | L | 89.7 | Confident | 91.5 | Very high | 73 Ų | 73 | 79 Ų | 79 | 38% | 0.382 | 37% | 0.367 | S | S | . | . | trans | -86.9 | 162.9 | 179.6 | -58.1 | 174.9 | 0 | 0 | 0 | 111.2 | F27 T28 N31 K35 M37 | F27-L33 HydrophobicContact CD1-CD1 4.08Å; F27-L33 HydrophobicContact CE1-CD1 3.7Å; T28-L33 HydrophobicContact CG2-CB 3.85Å; T28-L33 WeakPolarHBondContact CG2-O 3.2Å; T28-L33 PolarHBondContact O-N 3.45Å; N31-L33 HydrophobicContact CB-CD1 3.94Å; N31-L33 HydrophobicContact CB-CG 3.83Å; N31-L33 PolarHBondContact O-N 2.93Å; L33-K35 PolarHBondContact O-N 3.13Å; L33-M37 HydrophobicContact CB-SD 4.18Å; L33-M37 HydrophobicContact CD1-CE 4.25Å; L33-M37 HydrophobicContact CD1-SD 3.63Å; L33-M37 HydrophobicContact CG-SD 4.48Å | ||
| 34 | D | 89.8 | Confident | 91.4 | Very high | 91 Ų | 91 | 81.1 Ų | 81.1 | 49% | 0.487 | 38% | 0.379 | S | S | . | . | trans | -62.4 | 128.2 | 176.3 | -179.2 | 2.4 | 0 | 0 | 0 | 110.6 | T28 Q36 M37 | T28-D34 WeakPolarHBondContact CG2-O 3.28Å; D34-Q36 PolarHBondContact O-N 3.42Å; D34-Q36 VanDerWaalsContact O-N 3.14Å; D34-Q36 PolarHBondContact OD1-N 3.41Å; D34-M37 WeakPolarHBondContact O-CB 3.33Å; D34-M37 PolarHBondContact O-N 2.81Å | ||
| 35 | K | 88.7 | Confident | 91.4 | Very high | 179 Ų | 179 | 81.3 Ų | 81.3 | 78% | 0.778 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -27.1 | 176.4 | -65.9 | -176.3 | -178 | 179.7 | 0 | 112.6 | L33 M37 V38 | L33-K35 PolarHBondContact O-N 3.13Å; K35-M37 PolarHBondContact O-N 3.29Å; K35-V38 PolarHBondContact O-N 3Å |
| 36 | Q | 90.3 | Very high | 91.1 | Very high | 108 Ų | 108 | 78.8 Ų | 78.8 | 51% | 0.505 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -65 | -19.1 | 174.3 | -63 | -165.2 | -5.9 | 0 | 0 | 113.1 | D34 V38 N39 R40 | D34-Q36 PolarHBondContact O-N 3.42Å; D34-Q36 VanDerWaalsContact O-N 3.14Å; D34-Q36 PolarHBondContact OD1-N 3.41Å; Q36-V38 PolarHBondContact O-N 3.36Å; Q36-N39 PolarHBondContact O-N 3.45Å; Q36-R40 WeakPolarHBondContact O-CG 3.39Å; Q36-R40 PolarHBondContact O-N 2.86Å |
| 37 | M | 89.8 | Confident | 90.7 | Very high | 28 Ų | 28 | 78.4 Ų | 78.4 | 14% | 0.138 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -55.7 | -38.3 | 174.7 | -178.5 | 179.2 | 166.2 | 0 | 0 | 111.5 | I7 L33 D34 K35 R40 W41 | I7-M37 HydrophobicContact CD1-CE 4.35Å; I7-M37 HydrophobicContact CG2-CE 3.87Å; L33-M37 HydrophobicContact CB-SD 4.18Å; L33-M37 HydrophobicContact CD1-CE 4.25Å; L33-M37 HydrophobicContact CD1-SD 3.63Å; L33-M37 HydrophobicContact CG-SD 4.48Å; D34-M37 WeakPolarHBondContact O-CB 3.33Å; D34-M37 PolarHBondContact O-N 2.81Å; K35-M37 PolarHBondContact O-N 3.29Å; M37-R40 PolarHBondContact O-N 2.93Å; M37-W41 HydrophobicContact CE-CZ2 4.15Å; M37-W41 WeakPolarHBondContact O-CB 3.07Å; M37-W41 PolarHBondContact O-N 2.86Å |
| 38 | V | 91.4 | Very high | 89.8 | Confident | 7 Ų | 7 | 87.4 Ų | 87.4 | 4% | 0.042 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -59 | -53.4 | 179.8 | 180 | 0 | 0 | 0 | 0 | 110.3 | K21 L24 E25 T28 K35 Q36 R40 W41 L42 | K21-V38 HydrophobicContact CG-CG1 4.22Å; L24-V38 HydrophobicContact CD2-CB 4.4Å; L24-V38 HydrophobicContact CD2-CG1 4.06Å; L24-V38 HydrophobicContact CG-CG1 4.35Å; L24-V38 HydrophobicContact CG-CG2 4.3Å; E25-V38 HydrophobicContact CG-CB 4.49Å; E25-V38 HydrophobicContact CG-CG1 3.86Å; E25-V38 HydrophobicContact CG-CG2 3.89Å; T28-V38 HydrophobicContact CG2-CG2 4.36Å; K35-V38 PolarHBondContact O-N 3Å; Q36-V38 PolarHBondContact O-N 3.36Å; V38-R40 PolarHBondContact O-N 3.35Å; V38-W41 PolarHBondContact O-N 3.09Å; V38-L42 HydrophobicContact CG1-CD1 4.2Å; V38-L42 WeakPolarHBondContact O-CG 3.4Å; V38-L42 PolarHBondContact O-N 3Å |
| 39 | N | 90.9 | Very high | 88.8 | Confident | 91 Ų | 91 | 93.7 Ų | 93.7 | 49% | 0.487 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -63.5 | -43.7 | 179.9 | -65.3 | -19.2 | 0 | 0 | 0 | 111.1 | Q36 W41 L42 D43 | Q36-N39 PolarHBondContact O-N 3.45Å; N39-W41 VanDerWaalsContact C-N 3.33Å; N39-W41 PolarHBondContact O-N 3.36Å; N39-L42 PolarHBondContact O-N 3.43Å; N39-D43 WeakPolarHBondContact O-CB 3.44Å; N39-D43 PolarHBondContact O-N 2.87Å |
| 40 | R | 91.3 | Very high | 88 | Confident | 138 Ų | 138 | 85.9 Ų | 85.9 | 52% | 0.521 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -61.2 | -40.4 | 178.4 | -69.5 | 177.3 | -169.4 | 167.7 | 9.1 | 112.5 | Q36 M37 V38 L44 | Q36-R40 WeakPolarHBondContact O-CG 3.39Å; Q36-R40 PolarHBondContact O-N 2.86Å; M37-R40 PolarHBondContact O-N 2.93Å; V38-R40 PolarHBondContact O-N 3.35Å; R40-L44 WeakPolarHBondContact O-CB 3.41Å; R40-L44 WeakPolarHBondContact O-CD1 3.39Å; R40-L44 WeakPolarHBondContact O-CG 3.4Å; R40-L44 PolarHBondContact O-N 2.74Å; R40-L44 VanDerWaalsContact O-N 3.08Å |
| 41 | W | 92.3 | Very high | 87.7 | Confident | 8 Ų | 8 | 87.2 Ų | 87.2 | 3% | 0.03 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -68.8 | -41.1 | 177.9 | -95.1 | 63.4 | 0 | 0 | 0 | 111.8 | F4 I7 F8 I11 I19 L24 M37 V38 N39 L44 F45 I53 F58 | F4-W41 AromaticContact CD1-CE2 3.84Å; F4-W41 HydrophobicContact CD1-CH2 4.33Å; F4-W41 AromaticContact CD1-CZ2 3.53Å; F4-W41 HydrophobicContact CD1-CZ2 3.53Å; F4-W41 AromaticContact CD1-NE1 3.96Å; F4-W41 HydrophobicContact CE1-CZ2 4.25Å; F4-W41 AromaticContact CE1-NE1 3.78Å; F4-W41 HydrophobicContact CG-CZ2 4.48Å; I7-W41 HydrophobicContact CB-CH2 4.1Å; I7-W41 HydrophobicContact CB-CZ2 3.99Å; I7-W41 HydrophobicContact CG2-CH2 3.63Å; I7-W41 HydrophobicContact CG2-CZ2 3.49Å; I7-W41 VanDerWaalsContact CG2-CZ2 3.49Å; F8-W41 HydrophobicContact CB-CH2 4.25Å; F8-W41 HydrophobicContact CB-CZ3 4.41Å; F8-W41 HydrophobicContact CD2-CZ3 4.18Å; I11-W41 HydrophobicContact CD1-CH2 4.46Å; I11-W41 HydrophobicContact CD1-CZ3 4.37Å; I19-W41 HydrophobicContact CD1-CZ3 4.27Å; L24-W41 HydrophobicContact CD1-CB 4.42Å; L24-W41 HydrophobicContact CD1-CD2 4.25Å; L24-W41 HydrophobicContact CD1-CE3 4.24Å; L24-W41 HydrophobicContact CD1-CG 4.35Å; L24-W41 HydrophobicContact CD2-CB 3.7Å; L24-W41 HydrophobicContact CD2-CG 4.47Å; M37-W41 HydrophobicContact CE-CZ2 4.15Å; M37-W41 WeakPolarHBondContact O-CB 3.07Å; M37-W41 PolarHBondContact O-N 2.86Å; V38-W41 PolarHBondContact O-N 3.09Å; N39-W41 VanDerWaalsContact C-N 3.33Å; N39-W41 PolarHBondContact O-N 3.36Å; W41-L44 PolarHBondContact O-N 3.46Å; W41-F45 HydrophobicContact CB-CD2 4.28Å; W41-F45 AromaticContact CD2-CD2 3.88Å; W41-F45 HydrophobicContact CD2-CD2 3.88Å; W41-F45 AromaticContact CD2-CE2 3.84Å; W41-F45 HydrophobicContact CD2-CE2 3.84Å; W41-F45 AromaticContact CE3-CD2 3.81Å; W41-F45 HydrophobicContact CE3-CD2 3.81Å; W41-F45 HydrophobicContact CE3-CE2 4.06Å; W41-F45 HydrophobicContact CG-CD2 4.11Å; W41-F45 HydrophobicContact CG-CE2 4.15Å; W41-F45 HydrophobicContact CZ3-CD2 4.44Å; W41-F45 HydrophobicContact CZ3-CE2 4.5Å; W41-F45 WeakPolarHBondContact O-CB 3.4Å; W41-F45 VanDerWaalsContact O-CD2 3.31Å; W41-F45 WeakPolarHBondContact O-CD2 3.41Å; W41-F45 PolarHBondContact O-N 2.87Å; W41-I53 HydrophobicContact CB-CD1 4.11Å; W41-I53 HydrophobicContact CE3-CD1 3.92Å; W41-F58 AromaticContact CH2-CE2 3.86Å; W41-F58 HydrophobicContact CH2-CE2 3.86Å; W41-F58 HydrophobicContact CH2-CZ 4.28Å; W41-F58 HydrophobicContact CZ3-CD2 4.34Å; W41-F58 AromaticContact CZ3-CE2 3.8Å; W41-F58 HydrophobicContact CZ3-CE2 3.8Å |
| 42 | L | 92 | Very high | 87.7 | Confident | 15 Ų | 15 | 88.5 Ų | 88.5 | 8% | 0.079 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -61.9 | -51.6 | 173.9 | -68.6 | 172 | 0 | 0 | 0 | 110.3 | K21 L24 V38 N39 L44 F45 S46 I53 | K21-L42 HydrophobicContact CD-CD1 4.08Å; K21-L42 HydrophobicContact CG-CD1 4.15Å; L24-L42 HydrophobicContact CD2-CG 4.46Å; V38-L42 HydrophobicContact CG1-CD1 4.2Å; V38-L42 WeakPolarHBondContact O-CG 3.4Å; V38-L42 PolarHBondContact O-N 3Å; N39-L42 PolarHBondContact O-N 3.43Å; L42-L44 PolarHBondContact O-N 2.97Å; L42-L44 VanDerWaalsContact O-N 3.14Å; L42-F45 PolarHBondContact O-N 3.38Å; L42-S46 WeakPolarHBondContact O-CB 3.31Å; L42-S46 PolarHBondContact O-N 2.66Å; L42-S46 PolarHBondContact O-OG 3.47Å; L42-I53 HydrophobicContact CD2-CD1 4.3Å; L42-I53 HydrophobicContact CD2-CG1 4.18Å |
| 43 | D | 90.2 | Very high | 87.9 | Confident | 137 Ų | 137 | 80 Ų | 80 | 73% | 0.733 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -57.3 | -34.6 | -179.9 | -68.8 | -16.6 | 0 | 0 | 0 | 113.1 | N39 | N39-D43 WeakPolarHBondContact O-CB 3.44Å; N39-D43 PolarHBondContact O-N 2.87Å |
| 44 | L | 90.9 | Very high | 88.1 | Confident | 94 Ų | 94 | 78.1 Ų | 78.1 | 49% | 0.492 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -84.1 | -38.4 | -179.5 | -70.9 | 171.5 | 0 | 0 | 0 | 113.5 | R40 W41 L42 | R40-L44 WeakPolarHBondContact O-CB 3.41Å; R40-L44 WeakPolarHBondContact O-CD1 3.39Å; R40-L44 WeakPolarHBondContact O-CG 3.4Å; R40-L44 PolarHBondContact O-N 2.74Å; R40-L44 VanDerWaalsContact O-N 3.08Å; W41-L44 PolarHBondContact O-N 3.46Å; L42-L44 PolarHBondContact O-N 2.97Å; L42-L44 VanDerWaalsContact O-N 3.14Å |
| 45 | F | 92.8 | Very high | 88.2 | Confident | 4 Ų | 4 | 74.1 Ų | 74.1 | 2% | 0.018 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -122.2 | -10.5 | -163.8 | -53.7 | -63.9 | 0 | 0 | 0 | 115.1 | F4 W41 L42 I53 R57 F58 V61 L62 | F4-F45 AromaticContact CD1-CE2 3.99Å; F4-F45 HydrophobicContact CD1-CE2 3.99Å; F4-F45 AromaticContact CD1-CZ 3.91Å; F4-F45 HydrophobicContact CD1-CZ 3.91Å; F4-F45 HydrophobicContact CE1-CE2 4.17Å; F4-F45 HydrophobicContact CE1-CZ 4.18Å; F4-F45 HydrophobicContact CG-CZ 4.48Å; W41-F45 HydrophobicContact CB-CD2 4.28Å; W41-F45 AromaticContact CD2-CD2 3.88Å; W41-F45 HydrophobicContact CD2-CD2 3.88Å; W41-F45 AromaticContact CD2-CE2 3.84Å; W41-F45 HydrophobicContact CD2-CE2 3.84Å; W41-F45 AromaticContact CE3-CD2 3.81Å; W41-F45 HydrophobicContact CE3-CD2 3.81Å; W41-F45 HydrophobicContact CE3-CE2 4.06Å; W41-F45 HydrophobicContact CG-CD2 4.11Å; W41-F45 HydrophobicContact CG-CE2 4.15Å; W41-F45 HydrophobicContact CZ3-CD2 4.44Å; W41-F45 HydrophobicContact CZ3-CE2 4.5Å; W41-F45 WeakPolarHBondContact O-CB 3.4Å; W41-F45 VanDerWaalsContact O-CD2 3.31Å; W41-F45 WeakPolarHBondContact O-CD2 3.41Å; W41-F45 PolarHBondContact O-N 2.87Å; L42-F45 PolarHBondContact O-N 3.38Å; F45-I53 HydrophobicContact CB-CB 4.42Å; F45-I53 HydrophobicContact CB-CD1 4.04Å; F45-I53 HydrophobicContact CB-CG1 4.05Å; F45-I53 HydrophobicContact CB-CG2 3.53Å; F45-R57 WeakPolarHBondContact O-CG 3.5Å; F45-F58 HydrophobicContact CB-CD2 4.28Å; F45-F58 AromaticContact CD1-CD2 3.63Å; F45-F58 HydrophobicContact CD1-CD2 3.63Å; F45-F58 HydrophobicContact CD1-CE2 4.19Å; F45-F58 HydrophobicContact CD2-CD2 4.03Å; F45-F58 HydrophobicContact CD2-CE2 4.19Å; F45-F58 AromaticContact CE1-CD2 3.83Å; F45-F58 HydrophobicContact CE1-CD2 3.83Å; F45-F58 AromaticContact CE1-CE2 3.95Å; F45-F58 HydrophobicContact CE1-CE2 3.95Å; F45-F58 HydrophobicContact CE2-CD2 4.22Å; F45-F58 AromaticContact CE2-CE2 3.96Å; F45-F58 HydrophobicContact CE2-CE2 3.96Å; F45-F58 AromaticContact CG-CD2 3.74Å; F45-F58 HydrophobicContact CG-CD2 3.74Å; F45-F58 HydrophobicContact CG-CE2 4.31Å; F45-F58 HydrophobicContact CZ-CD2 4.13Å; F45-F58 AromaticContact CZ-CE2 3.83Å; F45-F58 HydrophobicContact CZ-CE2 3.83Å; F45-V61 HydrophobicContact CD1-CB 3.98Å; F45-V61 HydrophobicContact CD1-CG1 3.8Å; F45-V61 HydrophobicContact CD1-CG2 4.42Å; F45-V61 HydrophobicContact CE1-CB 4.21Å; F45-V61 HydrophobicContact CE1-CG1 3.73Å; F45-L62 HydrophobicContact CE1-CD2 3.95Å; F45-L62 HydrophobicContact CE1-CG 4.1Å; F45-L62 HydrophobicContact CZ-CD2 4.24Å |
| 46 | S | 88.8 | Confident | 88.4 | Confident | 23 Ų | 23 | 73.5 Ų | 73.5 | 16% | 0.161 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -83.7 | 159.6 | 172.8 | 77.3 | 0 | 0 | 0 | 0 | 111.1 | L42 S50 Y52 | L42-S46 WeakPolarHBondContact O-CB 3.31Å; L42-S46 PolarHBondContact O-N 2.66Å; L42-S46 PolarHBondContact O-OG 3.47Å; S46-S50 WeakPolarHBondContact CB-O 3.32Å; S46-S50 PolarHBondContact OG-O 3.43Å; S46-Y52 WeakPolarHBondContact CB-O 3.41Å |
| 47 | E | 84.5 | Confident | 88.5 | Confident | 101 Ų | 101 | 73 Ų | 73 | 47% | 0.472 | 36% | 0.357 | S | S | . | . | trans | -77.3 | 150.7 | 162.8 | -64.3 | -175.8 | 175 | 0 | 0 | 109.3 | T49 S50 | E47-T49 PolarHBondContact O-N 3.02Å; E47-S50 WeakPolarHBondContact CB-OG 3.49Å; E47-S50 PolarHBondContact N-OG 3.2Å; E47-S50 VanDerWaalsContact N-OG 3.09Å; E47-S50 PolarHBondContact O-N 3.24Å; E47-S50 PolarHBondContact O-OG 2.89Å; E47-S50 VanDerWaalsContact O-OG 3.08Å | ||
| 48 | E | 72.9 | Confident | 88.7 | Confident | 205 Ų | 205 | 71.7 Ų | 71.7 | 96% | 0.958 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | -26.3 | -173 | -68.9 | -178.1 | 171 | 0 | 0 | 113.9 | ||
| 49 | T | 73.3 | Confident | 88.8 | Confident | 136 Ų | 136 | 71.9 Ų | 71.9 | 83% | 0.834 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.7 | -2.4 | -176.9 | 56.1 | 0 | 0 | 0 | 0 | 113.8 | E47 | E47-T49 PolarHBondContact O-N 3.02Š|
| 50 | S | 76.5 | Confident | 88.9 | Confident | 9 Ų | 9 | 71.1 Ų | 71.1 | 6% | 0.063 | 35% | 0.353 | C | S | . | . | trans | -112.7 | 136.9 | -173.8 | 71.6 | 0 | 0 | 0 | 0 | 111.7 | S46 E47 Y52 | S46-S50 WeakPolarHBondContact CB-O 3.32Å; S46-S50 PolarHBondContact OG-O 3.43Å; E47-S50 WeakPolarHBondContact CB-OG 3.49Å; E47-S50 PolarHBondContact N-OG 3.2Å; E47-S50 VanDerWaalsContact N-OG 3.09Å; E47-S50 PolarHBondContact O-N 3.24Å; E47-S50 PolarHBondContact O-OG 2.89Å; E47-S50 VanDerWaalsContact O-OG 3.08Å; S50-Y52 PolarHBondContact O-N 3.46Å; S50-Y52 PolarHBondContact OG-O 3.03Å | ||
| 51 | N | 84.7 | Confident | 88.9 | Confident | 125 Ų | 125 | 67.5 Ų | 67.5 | 67% | 0.668 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -92.1 | 25 | 171.7 | -72.1 | -32.5 | 0 | 0 | 0 | 112.3 | K21 | K21-N51 PolarHBondContact N-O 3.14Š|
| 52 | Y | 91.8 | Very high | 88.9 | Confident | 109 Ų | 109 | 68.5 Ų | 68.5 | 43% | 0.427 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 154.5 | -179.8 | 59 | -94.6 | 0 | 0 | 0 | 110.4 | V18 I19 S46 S50 T54 | V18-Y52 HydrophobicContact CG1-CD2 3.93Å; V18-Y52 HydrophobicContact CG1-CG 4.18Å; I19-Y52 WeakPolarHBondContact O-CA 3.37Å; S46-Y52 WeakPolarHBondContact CB-O 3.41Å; S50-Y52 PolarHBondContact O-N 3.46Å; S50-Y52 PolarHBondContact OG-O 3.03Å; Y52-T54 HydrophobicContact CD2-CG2 3.74Å; Y52-T54 HydrophobicContact CE2-CG2 3.55Å |
| 53 | I | 93.7 | Very high | 88.9 | Confident | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 115.9 | 179.4 | -60.2 | 166.9 | 0 | 0 | 0 | 107.2 | F8 V18 I19 L24 W41 L42 F45 F58 | F8-I53 HydrophobicContact CE2-CG2 4.07Å; V18-I53 WeakPolarHBondContact CA-O 3.44Å; I19-I53 HydrophobicContact CB-CB 4.32Å; I19-I53 PolarHBondContact N-O 3.33Å; I19-I53 PolarHBondContact O-N 3.39Å; L24-I53 HydrophobicContact CD2-CD1 4.3Å; W41-I53 HydrophobicContact CB-CD1 4.11Å; W41-I53 HydrophobicContact CE3-CD1 3.92Å; L42-I53 HydrophobicContact CD2-CD1 4.3Å; L42-I53 HydrophobicContact CD2-CG1 4.18Å; F45-I53 HydrophobicContact CB-CB 4.42Å; F45-I53 HydrophobicContact CB-CD1 4.04Å; F45-I53 HydrophobicContact CB-CG1 4.05Å; F45-I53 HydrophobicContact CB-CG2 3.53Å; I53-F58 HydrophobicContact CG2-CB 4.05Å; I53-F58 HydrophobicContact CG2-CD2 4.47Å |
| 54 | T | 93.6 | Very high | 88.9 | Confident | 33 Ų | 33 | 65.7 Ų | 65.7 | 20% | 0.202 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 147.7 | 173.6 | 66.1 | 0 | 0 | 0 | 0 | 110.3 | Y52 Q56 R57 F58 | Y52-T54 HydrophobicContact CD2-CG2 3.74Å; Y52-T54 HydrophobicContact CE2-CG2 3.55Å; T54-Q56 PolarHBondContact O-N 3.4Å; T54-R57 PolarHBondContact O-N 3.23Å; T54-R57 VanDerWaalsContact OG1-CB 3.27Å; T54-R57 WeakPolarHBondContact OG1-CB 3.36Å; T54-R57 PolarHBondContact OG1-N 3.29Å; T54-F58 WeakPolarHBondContact O-CB 3.36Å; T54-F58 PolarHBondContact O-N 2.93Å |
| 55 | L | 92.7 | Very high | 89 | Confident | 7 Ų | 7 | 63.6 Ų | 63.6 | 4% | 0.037 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -56.5 | -41.1 | 174.5 | 178.9 | 62.2 | 0 | 0 | 0 | 111.1 | F8 D17 R57 F58 L59 Y69 | F8-L55 HydrophobicContact CD1-CD1 4.34Å; F8-L55 HydrophobicContact CE1-CB 4.41Å; F8-L55 HydrophobicContact CE1-CD1 3.89Å; F8-L55 HydrophobicContact CZ-CB 4.05Å; F8-L55 HydrophobicContact CZ-CD1 4.05Å; D17-L55 HydrophobicContact CB-CB 3.73Å; D17-L55 HydrophobicContact CB-CD2 4.05Å; D17-L55 WeakPolarHBondContact O-CB 3.09Å; D17-L55 PolarHBondContact O-N 3.25Å; D17-L55 WeakPolarHBondContact OD1-CD2 3.47Å; L55-R57 PolarHBondContact O-N 3.48Å; L55-F58 HydrophobicContact CD1-CD1 4.4Å; L55-F58 PolarHBondContact O-N 2.8Å; L55-L59 HydrophobicContact CD1-CD1 3.85Å; L55-L59 HydrophobicContact CD1-CD2 4.13Å; L55-L59 HydrophobicContact CD1-CG 3.73Å; L55-L59 HydrophobicContact CD2-CD1 4.35Å; L55-L59 HydrophobicContact CG-CD1 3.8Å; L55-L59 HydrophobicContact CG-CG 4.08Å; L55-L59 WeakPolarHBondContact O-CB 3.39Å; L55-L59 VanDerWaalsContact O-CG 3.24Å; L55-L59 WeakPolarHBondContact O-CG 3.22Å; L55-L59 PolarHBondContact O-N 3.4Å; L55-Y69 HydrophobicContact CD1-CD1 3.74Å; L55-Y69 HydrophobicContact CD1-CD2 3.95Å; L55-Y69 HydrophobicContact CD1-CE1 3.38Å; L55-Y69 HydrophobicContact CD1-CE2 3.64Å; L55-Y69 HydrophobicContact CD1-CG 4.01Å; L55-Y69 HydrophobicContact CD2-CD1 3.73Å; L55-Y69 HydrophobicContact CD2-CE1 3.39Å; L55-Y69 HydrophobicContact CG-CD1 4.3Å; L55-Y69 HydrophobicContact CG-CE1 4.02Å |
| 56 | Q | 91.8 | Very high | 88.9 | Confident | 166 Ų | 166 | 68 Ų | 68 | 78% | 0.776 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -58.7 | -48.5 | 178.9 | -176.2 | 178.4 | 0 | 0 | 0 | 111.6 | T54 S60 | T54-Q56 PolarHBondContact O-N 3.4Å; Q56-S60 WeakPolarHBondContact O-CB 3.3Å; Q56-S60 PolarHBondContact O-N 3.16Å |
| 57 | R | 92.4 | Very high | 88.8 | Confident | 98 Ų | 98 | 73.1 Ų | 73.1 | 37% | 0.37 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63.4 | -48.6 | 177.2 | 178.8 | 58.9 | 179 | 170.2 | -0.2 | 110.8 | F45 T54 L55 L59 S60 V61 | F45-R57 WeakPolarHBondContact O-CG 3.5Å; T54-R57 PolarHBondContact O-N 3.23Å; T54-R57 VanDerWaalsContact OG1-CB 3.27Å; T54-R57 WeakPolarHBondContact OG1-CB 3.36Å; T54-R57 PolarHBondContact OG1-N 3.29Å; L55-R57 PolarHBondContact O-N 3.48Å; R57-L59 PolarHBondContact O-N 3.23Å; R57-S60 PolarHBondContact O-N 3.01Å; R57-S60 VanDerWaalsContact O-N 3.16Å; R57-S60 PolarHBondContact O-OG 2.85Å; R57-V61 WeakPolarHBondContact O-CG2 3.34Å; R57-V61 PolarHBondContact O-N 2.87Å |
| 58 | F | 94 | Very high | 89.1 | Confident | 0 Ų | 0 | 73.3 Ų | 73.3 | 0% | 0 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -54.1 | -49.5 | 178.5 | 178.6 | -101.4 | 0 | 0 | 0 | 112.4 | F4 F8 W41 F45 I53 T54 L55 V61 L62 | F4-F58 HydrophobicContact CB-CE2 4.28Å; F4-F58 HydrophobicContact CB-CZ 3.89Å; F4-F58 WeakPolarHBondContact O-CZ 3.44Å; F8-F58 HydrophobicContact CB-CD1 4.45Å; F8-F58 HydrophobicContact CB-CE1 3.81Å; F8-F58 HydrophobicContact CB-CE2 4.38Å; F8-F58 HydrophobicContact CB-CZ 3.76Å; F8-F58 HydrophobicContact CD2-CB 4.13Å; F8-F58 AromaticContact CD2-CD1 3.59Å; F8-F58 HydrophobicContact CD2-CD1 3.59Å; F8-F58 AromaticContact CD2-CD2 3.7Å; F8-F58 HydrophobicContact CD2-CD2 3.7Å; F8-F58 AromaticContact CD2-CE1 3.79Å; F8-F58 HydrophobicContact CD2-CE1 3.79Å; F8-F58 AromaticContact CD2-CE2 3.91Å; F8-F58 HydrophobicContact CD2-CE2 3.91Å; F8-F58 AromaticContact CD2-CG 3.53Å; F8-F58 HydrophobicContact CD2-CG 3.53Å; F8-F58 AromaticContact CD2-CZ 3.93Å; F8-F58 HydrophobicContact CD2-CZ 3.93Å; F8-F58 HydrophobicContact CE2-CB 3.87Å; F8-F58 HydrophobicContact CE2-CD1 4.07Å; F8-F58 HydrophobicContact CE2-CD2 4.23Å; F8-F58 AromaticContact CE2-CG 3.8Å; F8-F58 HydrophobicContact CE2-CG 3.8Å; F8-F58 HydrophobicContact CG-CD1 4.07Å; F8-F58 AromaticContact CG-CE1 3.94Å; F8-F58 HydrophobicContact CG-CE1 3.94Å; F8-F58 HydrophobicContact CG-CG 4.44Å; F8-F58 HydrophobicContact CG-CZ 4.19Å; W41-F58 AromaticContact CH2-CE2 3.86Å; W41-F58 HydrophobicContact CH2-CE2 3.86Å; W41-F58 HydrophobicContact CH2-CZ 4.28Å; W41-F58 HydrophobicContact CZ3-CD2 4.34Å; W41-F58 AromaticContact CZ3-CE2 3.8Å; W41-F58 HydrophobicContact CZ3-CE2 3.8Å; F45-F58 HydrophobicContact CB-CD2 4.28Å; F45-F58 AromaticContact CD1-CD2 3.63Å; F45-F58 HydrophobicContact CD1-CD2 3.63Å; F45-F58 HydrophobicContact CD1-CE2 4.19Å; F45-F58 HydrophobicContact CD2-CD2 4.03Å; F45-F58 HydrophobicContact CD2-CE2 4.19Å; F45-F58 AromaticContact CE1-CD2 3.83Å; F45-F58 HydrophobicContact CE1-CD2 3.83Å; F45-F58 AromaticContact CE1-CE2 3.95Å; F45-F58 HydrophobicContact CE1-CE2 3.95Å; F45-F58 HydrophobicContact CE2-CD2 4.22Å; F45-F58 AromaticContact CE2-CE2 3.96Å; F45-F58 HydrophobicContact CE2-CE2 3.96Å; F45-F58 AromaticContact CG-CD2 3.74Å; F45-F58 HydrophobicContact CG-CD2 3.74Å; F45-F58 HydrophobicContact CG-CE2 4.31Å; F45-F58 HydrophobicContact CZ-CD2 4.13Å; F45-F58 AromaticContact CZ-CE2 3.83Å; F45-F58 HydrophobicContact CZ-CE2 3.83Å; I53-F58 HydrophobicContact CG2-CB 4.05Å; I53-F58 HydrophobicContact CG2-CD2 4.47Å; T54-F58 WeakPolarHBondContact O-CB 3.36Å; T54-F58 PolarHBondContact O-N 2.93Å; L55-F58 HydrophobicContact CD1-CD1 4.4Å; L55-F58 PolarHBondContact O-N 2.8Å; F58-V61 PolarHBondContact O-N 3.21Å; F58-L62 HydrophobicContact CD1-CD1 4.12Å; F58-L62 HydrophobicContact CD2-CD1 4.4Å; F58-L62 HydrophobicContact CE1-CD1 3.52Å; F58-L62 HydrophobicContact CE2-CD1 3.84Å; F58-L62 HydrophobicContact CZ-CD1 3.36Å; F58-L62 WeakPolarHBondContact O-CG 3.37Å; F58-L62 PolarHBondContact O-N 3.48Å; F58-L62 VanDerWaalsContact O-N 3.14Å |
| 59 | L | 93.4 | Very high | 90 | Very high | 11 Ų | 11 | 63.6 Ų | 63.6 | 6% | 0.058 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -66 | -39 | 178.2 | -67.3 | -178.7 | 0 | 0 | 0 | 112.4 | L55 R57 V61 L62 G63 I64 K66 Y69 | L55-L59 HydrophobicContact CD1-CD1 3.85Å; L55-L59 HydrophobicContact CD1-CD2 4.13Å; L55-L59 HydrophobicContact CD1-CG 3.73Å; L55-L59 HydrophobicContact CD2-CD1 4.35Å; L55-L59 HydrophobicContact CG-CD1 3.8Å; L55-L59 HydrophobicContact CG-CG 4.08Å; L55-L59 WeakPolarHBondContact O-CB 3.39Å; L55-L59 VanDerWaalsContact O-CG 3.24Å; L55-L59 WeakPolarHBondContact O-CG 3.22Å; L55-L59 PolarHBondContact O-N 3.4Å; R57-L59 PolarHBondContact O-N 3.23Å; L59-V61 VanDerWaalsContact C-N 3.33Å; L59-V61 PolarHBondContact O-N 3.38Å; L59-L62 PolarHBondContact O-N 3.42Å; L59-G63 PolarHBondContact O-N 2.88Å; L59-I64 HydrophobicContact CD2-CB 4.06Å; L59-I64 HydrophobicContact CD2-CG2 4.09Å; L59-I64 PolarHBondContact O-N 3.19Å; L59-I64 VanDerWaalsContact O-N 3.09Å; L59-K66 HydrophobicContact CD1-CB 4.23Å; L59-K66 HydrophobicContact CD1-CG 4.4Å; L59-Y69 HydrophobicContact CD1-CD1 4.49Å; L59-Y69 HydrophobicContact CD1-CG 4.23Å; L59-Y69 HydrophobicContact CD2-CD2 3.84Å; L59-Y69 HydrophobicContact CD2-CG 3.86Å |
| 60 | S | 92.5 | Very high | 90.8 | Very high | 74 Ų | 74 | 58.2 Ų | 58.2 | 52% | 0.517 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.6 | -40.7 | 176.5 | 76.4 | 0 | 0 | 0 | 0 | 112.5 | Q56 R57 L62 G63 | Q56-S60 WeakPolarHBondContact O-CB 3.3Å; Q56-S60 PolarHBondContact O-N 3.16Å; R57-S60 PolarHBondContact O-N 3.01Å; R57-S60 VanDerWaalsContact O-N 3.16Å; R57-S60 PolarHBondContact O-OG 2.85Å; S60-L62 VanDerWaalsContact C-N 3.34Å; S60-G63 PolarHBondContact O-N 2.82Å |
| 61 | V | 92.4 | Very high | 91.4 | Very high | 62 Ų | 62 | 61.8 Ų | 61.8 | 38% | 0.376 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -68.5 | -37.6 | 179.6 | 171.5 | 0 | 0 | 0 | 0 | 110.7 | F45 R57 F58 L59 | F45-V61 HydrophobicContact CD1-CB 3.98Å; F45-V61 HydrophobicContact CD1-CG1 3.8Å; F45-V61 HydrophobicContact CD1-CG2 4.42Å; F45-V61 HydrophobicContact CE1-CB 4.21Å; F45-V61 HydrophobicContact CE1-CG1 3.73Å; R57-V61 WeakPolarHBondContact O-CG2 3.34Å; R57-V61 PolarHBondContact O-N 2.87Å; F58-V61 PolarHBondContact O-N 3.21Å; L59-V61 VanDerWaalsContact C-N 3.33Å; L59-V61 PolarHBondContact O-N 3.38Å |
| 62 | L | 91.8 | Very high | 91.6 | Very high | 30 Ų | 30 | 57.8 Ų | 57.8 | 16% | 0.157 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -82.5 | -11.7 | 178.4 | -64.4 | -178.4 | 0 | 0 | 0 | 114 | F4 I5 F45 F58 L59 S60 I64 | F4-L62 HydrophobicContact CB-CD1 4.11Å; I5-L62 HydrophobicContact CG1-CD1 4.44Å; F45-L62 HydrophobicContact CE1-CD2 3.95Å; F45-L62 HydrophobicContact CE1-CG 4.1Å; F45-L62 HydrophobicContact CZ-CD2 4.24Å; F58-L62 HydrophobicContact CD1-CD1 4.12Å; F58-L62 HydrophobicContact CD2-CD1 4.4Å; F58-L62 HydrophobicContact CE1-CD1 3.52Å; F58-L62 HydrophobicContact CE2-CD1 3.84Å; F58-L62 HydrophobicContact CZ-CD1 3.36Å; F58-L62 WeakPolarHBondContact O-CG 3.37Å; F58-L62 PolarHBondContact O-N 3.48Å; F58-L62 VanDerWaalsContact O-N 3.14Å; L59-L62 PolarHBondContact O-N 3.42Å; S60-L62 VanDerWaalsContact C-N 3.34Å; L62-I64 VanDerWaalsContact C-N 3.34Å; L62-I64 HydrophobicContact CB-CD1 3.55Å; L62-I64 HydrophobicContact CB-CG1 3.92Å; L62-I64 HydrophobicContact CD1-CD1 3.84Å; L62-I64 HydrophobicContact CG-CD1 4.35Å |
| 63 | G | 92.3 | Very high | 91.6 | Very high | 69 Ų | 69 | 52.6 Ų | 52.6 | 71% | 0.711 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.9 | 32.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | L59 S60 | L59-G63 PolarHBondContact O-N 2.88Å; S60-G63 PolarHBondContact O-N 2.82Å |
| 64 | I | 90.9 | Very high | 91.4 | Very high | 23 Ų | 23 | 55 Ų | 55 | 12% | 0.118 | 30% | 0.296 | C | S | . | . | trans | -104.9 | 134.7 | -176.3 | -63.2 | 164.1 | 0 | 0 | 0 | 110.2 | I5 L59 L62 Q68 | I5-I64 HydrophobicContact CD1-CD1 3.38Å; I5-I64 HydrophobicContact CG1-CD1 3.69Å; L59-I64 HydrophobicContact CD2-CB 4.06Å; L59-I64 HydrophobicContact CD2-CG2 4.09Å; L59-I64 PolarHBondContact O-N 3.19Å; L59-I64 VanDerWaalsContact O-N 3.09Å; L62-I64 VanDerWaalsContact C-N 3.34Å; L62-I64 HydrophobicContact CB-CD1 3.55Å; L62-I64 HydrophobicContact CB-CG1 3.92Å; L62-I64 HydrophobicContact CD1-CD1 3.84Å; L62-I64 HydrophobicContact CG-CD1 4.35Å; I64-Q68 HydrophobicContact CG2-CB 4.13Å; I64-Q68 HydrophobicContact CG2-CG 4.37Å | ||
| 65 | A | 92.4 | Very high | 91.2 | Very high | 51 Ų | 51 | 57.1 Ų | 57.1 | 42% | 0.421 | 31% | 0.305 | S | S | . | . | trans | -70.2 | 143.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | E67 Q68 Y69 | A65-E67 VanDerWaalsContact C-N 3.25Å; A65-E67 PolarHBondContact O-N 2.86Å; A65-Q68 WeakPolarHBondContact O-CB 3.17Å; A65-Q68 PolarHBondContact O-N 2.92Å; A65-Q68 VanDerWaalsContact O-N 3.08Å; A65-Y69 PolarHBondContact O-N 3.17Å; A65-Y69 VanDerWaalsContact O-N 3.15Å | ||
| 66 | K | 89.9 | Confident | 91 | Very high | 97 Ų | 97 | 57 Ų | 57 | 42% | 0.422 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -58.6 | -38 | -178.3 | -174.2 | 174.7 | 179.9 | 173.5 | 0 | 112.1 | L59 Q68 Y69 E70 | L59-K66 HydrophobicContact CD1-CB 4.23Å; L59-K66 HydrophobicContact CD1-CG 4.4Å; K66-Q68 VanDerWaalsContact C-N 3.29Å; K66-Q68 PolarHBondContact O-N 3.4Å; K66-Y69 WeakPolarHBondContact O-CB 3.23Å; K66-Y69 PolarHBondContact O-N 2.94Å; K66-E70 WeakPolarHBondContact CE-OE1 3.32Å; K66-E70 HydrophobicContact CG-CG 4.47Å; K66-E70 WeakPolarHBondContact O-CG 3.38Å; K66-E70 PolarHBondContact O-N 3.24Å |
| 67 | E | 88.2 | Confident | 90.8 | Very high | 130 Ų | 130 | 49.2 Ų | 49.2 | 61% | 0.607 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -63 | -37.6 | 179.1 | -60.6 | 74.6 | -163 | 0 | 0 | 111.7 | A65 E70 I71 | A65-E67 VanDerWaalsContact C-N 3.25Å; A65-E67 PolarHBondContact O-N 2.86Å; E67-E70 PolarHBondContact O-N 3.2Å; E67-I71 WeakPolarHBondContact O-CG1 3.48Å; E67-I71 PolarHBondContact O-N 3.49Å |
| 68 | Q | 90.3 | Very high | 90.6 | Very high | 105 Ų | 105 | 49.2 Ų | 49.2 | 49% | 0.491 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -68.7 | -42.8 | 176.7 | -174.3 | 178.4 | 6.9 | 0 | 0 | 110.8 | I64 A65 K66 E70 I71 I72 | I64-Q68 HydrophobicContact CG2-CB 4.13Å; I64-Q68 HydrophobicContact CG2-CG 4.37Å; A65-Q68 WeakPolarHBondContact O-CB 3.17Å; A65-Q68 PolarHBondContact O-N 2.92Å; A65-Q68 VanDerWaalsContact O-N 3.08Å; K66-Q68 VanDerWaalsContact C-N 3.29Å; K66-Q68 PolarHBondContact O-N 3.4Å; Q68-E70 VanDerWaalsContact C-N 3.35Å; Q68-E70 PolarHBondContact O-N 3.1Å; Q68-I71 PolarHBondContact O-N 3.47Å; Q68-I72 HydrophobicContact CG-CD1 4.31Å; Q68-I72 WeakPolarHBondContact O-CG1 3.39Å; Q68-I72 PolarHBondContact O-N 2.91Å; Q68-I72 VanDerWaalsContact O-N 3.16Å |
| 69 | Y | 91.3 | Very high | 90.4 | Very high | 1 Ų | 1 | 56.7 Ų | 56.7 | 0% | 0.004 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.7 | -45.3 | 174 | 172.5 | -97.9 | 0 | 0 | 0 | 111.9 | I5 F8 L55 L59 A65 K66 I71 I72 R73 | I5-Y69 HydrophobicContact CG2-CD2 3.61Å; I5-Y69 HydrophobicContact CG2-CE2 3.94Å; F8-Y69 HydrophobicContact CD1-CE2 4.09Å; F8-Y69 AromaticContact CD1-CZ 3.94Å; F8-Y69 WeakPolarHBondContact CD1-OH 3.39Å; F8-Y69 WeakPolarHBondContact CE1-OH 3.49Å; L55-Y69 HydrophobicContact CD1-CD1 3.74Å; L55-Y69 HydrophobicContact CD1-CD2 3.95Å; L55-Y69 HydrophobicContact CD1-CE1 3.38Å; L55-Y69 HydrophobicContact CD1-CE2 3.64Å; L55-Y69 HydrophobicContact CD1-CG 4.01Å; L55-Y69 HydrophobicContact CD2-CD1 3.73Å; L55-Y69 HydrophobicContact CD2-CE1 3.39Å; L55-Y69 HydrophobicContact CG-CD1 4.3Å; L55-Y69 HydrophobicContact CG-CE1 4.02Å; L59-Y69 HydrophobicContact CD1-CD1 4.49Å; L59-Y69 HydrophobicContact CD1-CG 4.23Å; L59-Y69 HydrophobicContact CD2-CD2 3.84Å; L59-Y69 HydrophobicContact CD2-CG 3.86Å; A65-Y69 PolarHBondContact O-N 3.17Å; A65-Y69 VanDerWaalsContact O-N 3.15Å; K66-Y69 WeakPolarHBondContact O-CB 3.23Å; K66-Y69 PolarHBondContact O-N 2.94Å; Y69-I71 VanDerWaalsContact C-N 3.26Å; Y69-I71 PolarHBondContact O-N 3.06Å; Y69-I72 PolarHBondContact O-N 3.23Å; Y69-I72 VanDerWaalsContact O-N 3.13Å; Y69-R73 HydrophobicContact CE1-CB 4.3Å; Y69-R73 WeakPolarHBondContact O-CB 3.49Å; Y69-R73 PolarHBondContact O-N 2.8Å |
| 70 | E | 89.5 | Confident | 90.2 | Very high | 22 Ų | 22 | 58.3 Ų | 58.3 | 10% | 0.103 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.7 | -32.2 | 179.2 | -73.6 | 177.2 | 174.7 | 0 | 0 | 112.8 | K66 E67 Q68 R74 K111 | K66-E70 WeakPolarHBondContact CE-OE1 3.32Å; K66-E70 HydrophobicContact CG-CG 4.47Å; K66-E70 WeakPolarHBondContact O-CG 3.38Å; K66-E70 PolarHBondContact O-N 3.24Å; E67-E70 PolarHBondContact O-N 3.2Å; Q68-E70 VanDerWaalsContact C-N 3.35Å; Q68-E70 PolarHBondContact O-N 3.1Å; E70-R74 WeakPolarHBondContact O-CB 3.35Å; E70-R74 VanDerWaalsContact O-CG 3.32Å; E70-R74 WeakPolarHBondContact O-CG 2.85Å; E70-R74 PolarHBondContact O-N 3.38Å; E70-R74 PolarHBondContact O-NE 3.07Å; E70-K111 WeakPolarHBondContact OE1-CE 3.33Å; E70-K111 IonicContact OE1-NZ 3.97Å; E70-K111 PolarHBondContact OE1-NZ 3.33Å; E70-K111 IonicContact OE2-NZ 3.69Å; E70-K111 PolarHBondContact OE2-NZ 3.29Å |
| 71 | I | 89.2 | Confident | 89.9 | Confident | 85 Ų | 85 | 56 Ų | 56 | 44% | 0.436 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -67.7 | -48.8 | 172.9 | -67 | 163.4 | 0 | 0 | 0 | 110.5 | E67 Q68 Y69 R74 N75 | E67-I71 WeakPolarHBondContact O-CG1 3.48Å; E67-I71 PolarHBondContact O-N 3.49Å; Q68-I71 PolarHBondContact O-N 3.47Å; Y69-I71 VanDerWaalsContact C-N 3.26Å; Y69-I71 PolarHBondContact O-N 3.06Å; I71-R74 PolarHBondContact O-N 2.88Å; I71-N75 PolarHBondContact O-N 3.2Å; I71-N75 VanDerWaalsContact O-N 3.16Å; I71-N75 PolarHBondContact O-ND2 3.34Å |
| 72 | I | 90.2 | Very high | 89.7 | Confident | 40 Ų | 40 | 58 Ų | 58 | 21% | 0.205 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.9 | -46.4 | -178.5 | -63.9 | 167 | 0 | 0 | 0 | 110 | I5 Q68 Y69 R74 N75 T76 | I5-I72 HydrophobicContact CB-CG2 4.35Å; I5-I72 HydrophobicContact CD1-CD1 3.54Å; I5-I72 HydrophobicContact CG2-CB 3.95Å; I5-I72 HydrophobicContact CG2-CD1 4Å; I5-I72 HydrophobicContact CG2-CG2 3.56Å; Q68-I72 HydrophobicContact CG-CD1 4.31Å; Q68-I72 WeakPolarHBondContact O-CG1 3.39Å; Q68-I72 PolarHBondContact O-N 2.91Å; Q68-I72 VanDerWaalsContact O-N 3.16Å; Y69-I72 PolarHBondContact O-N 3.23Å; Y69-I72 VanDerWaalsContact O-N 3.13Å; I72-R74 VanDerWaalsContact C-N 3.35Å; I72-R74 PolarHBondContact O-N 2.9Å; I72-N75 WeakPolarHBondContact O-CB 2.96Å; I72-N75 PolarHBondContact O-N 3.17Å; I72-N75 VanDerWaalsContact O-N 3.1Å; I72-T76 PolarHBondContact O-N 2.74Å; I72-T76 PolarHBondContact O-OG1 2.69Å |
| 73 | R | 90.5 | Very high | 89.4 | Confident | 1 Ų | 1 | 60.4 Ų | 60.4 | 0% | 0.004 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -57.3 | -46.3 | 179.2 | -172.3 | 173.1 | -167.7 | 169.1 | 7.8 | 112.1 | D12 Y15 D17 Y69 N75 T76 T77 | D12-R73 PolarHBondContact O-NH2 2.89Å; D12-R73 IonicContact OD1-NH2 2.81Å; D12-R73 PolarHBondContact OD1-NH2 3.39Å; D12-R73 VanDerWaalsContact OD1-NH2 3.12Å; D12-R73 IonicContact OD2-CZ 2.85Å; D12-R73 VanDerWaalsContact OD2-CZ 3.27Å; D12-R73 IonicContact OD2-NH1 3.27Å; D12-R73 PolarHBondContact OD2-NH1 2.88Å; D12-R73 VanDerWaalsContact OD2-NH1 3.15Å; D12-R73 IonicContact OD2-NH2 3.63Å; D12-R73 PolarHBondContact OD2-NH2 3.03Å; Y15-R73 VanDerWaalsContact CA-NH2 3.3Å; Y15-R73 HydrophobicContact CE2-CG 4.08Å; D17-R73 IonicContact OD1-NH1 2.81Å; D17-R73 PolarHBondContact OD1-NH1 3.41Å; Y69-R73 HydrophobicContact CE1-CB 4.3Å; Y69-R73 WeakPolarHBondContact O-CB 3.49Å; Y69-R73 PolarHBondContact O-N 2.8Å; R73-N75 VanDerWaalsContact C-N 3.31Å; R73-N75 PolarHBondContact O-N 2.93Å; R73-T76 PolarHBondContact O-N 2.81Å; R73-T77 PolarHBondContact O-N 3.19Å; R73-T77 PolarHBondContact O-OG1 2.93Å |
| 74 | R | 89.1 | Confident | 89.2 | Confident | 51 Ų | 51 | 57.8 Ų | 57.8 | 19% | 0.192 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.4 | -42 | 176.5 | -79.1 | -178.8 | -73.8 | 135.5 | -9.2 | 112.2 | E70 I71 I72 T77 Q78 N104 | E70-R74 WeakPolarHBondContact O-CB 3.35Å; E70-R74 VanDerWaalsContact O-CG 3.32Å; E70-R74 WeakPolarHBondContact O-CG 2.85Å; E70-R74 PolarHBondContact O-N 3.38Å; E70-R74 PolarHBondContact O-NE 3.07Å; I71-R74 PolarHBondContact O-N 2.88Å; I72-R74 VanDerWaalsContact C-N 3.35Å; I72-R74 PolarHBondContact O-N 2.9Å; R74-T77 PolarHBondContact O-N 2.95Å; R74-Q78 WeakPolarHBondContact O-CB 3.12Å; R74-Q78 PolarHBondContact O-N 2.85Å; R74-N104 HydrophobicContact CG-CB 4.46Å; R74-N104 PolarHBondContact O-ND2 2.81Å |
| 75 | N | 89.3 | Confident | 89.1 | Confident | 76 Ų | 76 | 64.7 Ų | 64.7 | 41% | 0.406 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65.4 | -42.8 | 176.4 | -67.6 | -21.6 | 0 | 0 | 0 | 111.4 | I71 I72 R73 T77 Q78 Q79 | I71-N75 PolarHBondContact O-N 3.2Å; I71-N75 VanDerWaalsContact O-N 3.16Å; I71-N75 PolarHBondContact O-ND2 3.34Å; I72-N75 WeakPolarHBondContact O-CB 2.96Å; I72-N75 PolarHBondContact O-N 3.17Å; I72-N75 VanDerWaalsContact O-N 3.1Å; R73-N75 VanDerWaalsContact C-N 3.31Å; R73-N75 PolarHBondContact O-N 2.93Å; N75-T77 PolarHBondContact O-N 3.28Å; N75-Q78 PolarHBondContact O-N 3.3Å; N75-Q79 WeakPolarHBondContact O-CB 3.23Å; N75-Q79 WeakPolarHBondContact O-CG 3.31Å; N75-Q79 PolarHBondContact O-N 3.34Å |
| 76 | T | 89.8 | Confident | 89.1 | Confident | 6 Ų | 6 | 63.8 Ų | 63.8 | 4% | 0.037 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.6 | -44.2 | 175.4 | -63.7 | 0 | 0 | 0 | 0 | 111.2 | D6 K10 I72 R73 Q78 Q79 N80 F84 | D6-T76 WeakPolarHBondContact OD1-CG2 3.49Å; D6-T76 PolarHBondContact OD1-OG1 3.15Å; K10-T76 HydrophobicContact CG-CG2 3.89Å; I72-T76 PolarHBondContact O-N 2.74Å; I72-T76 PolarHBondContact O-OG1 2.69Å; R73-T76 PolarHBondContact O-N 2.81Å; T76-Q78 VanDerWaalsContact C-N 3.34Å; T76-Q78 PolarHBondContact O-N 3.3Å; T76-Q79 PolarHBondContact O-N 3.45Å; T76-N80 WeakPolarHBondContact O-CB 3.41Å; T76-N80 PolarHBondContact O-N 3.33Å; T76-N80 PolarHBondContact O-ND2 3.12Å; T76-F84 HydrophobicContact CG2-CZ 4.37Å |
| 77 | T | 88.1 | Confident | 89 | Confident | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.006 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.7 | -40 | 174.6 | -60 | 0 | 0 | 0 | 0 | 112 | R73 R74 N75 A81 F84 I103 | R73-T77 PolarHBondContact O-N 3.19Å; R73-T77 PolarHBondContact O-OG1 2.93Å; R74-T77 PolarHBondContact O-N 2.95Å; N75-T77 PolarHBondContact O-N 3.28Å; T77-A81 WeakPolarHBondContact O-CA 3.5Å; T77-A81 PolarHBondContact O-N 2.9Å; T77-A81 VanDerWaalsContact O-N 3.14Å; T77-F84 HydrophobicContact CG2-CD2 4.12Å; T77-F84 HydrophobicContact CG2-CG 4.37Å; T77-I103 HydrophobicContact CG2-CB 3.99Å; T77-I103 HydrophobicContact CG2-CD1 4.36Å; T77-I103 HydrophobicContact CG2-CG2 3.66Å |
| 78 | Q | 88.1 | Confident | 89.1 | Confident | 98 Ų | 98 | 60.1 Ų | 60.1 | 46% | 0.458 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65.5 | -40.9 | 178.1 | -168.6 | 168.5 | -12.7 | 0 | 0 | 112.8 | R74 N75 T76 | R74-Q78 WeakPolarHBondContact O-CB 3.12Å; R74-Q78 PolarHBondContact O-N 2.85Å; N75-Q78 PolarHBondContact O-N 3.3Å; T76-Q78 VanDerWaalsContact C-N 3.34Å; T76-Q78 PolarHBondContact O-N 3.3Å |
| 79 | Q | 89.4 | Confident | 89.2 | Confident | 157 Ų | 157 | 58 Ų | 58 | 73% | 0.734 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -79.1 | -29.8 | 180 | -69 | 176 | 1.5 | 0 | 0 | 113.2 | N75 T76 | N75-Q79 WeakPolarHBondContact O-CB 3.23Å; N75-Q79 WeakPolarHBondContact O-CG 3.31Å; N75-Q79 PolarHBondContact O-N 3.34Å; T76-Q79 PolarHBondContact O-N 3.45Å |
| 80 | N | 89.5 | Confident | 89.4 | Confident | 45 Ų | 45 | 58.8 Ų | 58.8 | 24% | 0.241 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.1 | 37.7 | -173.1 | -54.4 | -90.8 | 0 | 0 | 0 | 112 | T76 A82 L83 F84 | T76-N80 WeakPolarHBondContact O-CB 3.41Å; T76-N80 PolarHBondContact O-N 3.33Å; T76-N80 PolarHBondContact O-ND2 3.12Å; N80-A82 PolarHBondContact O-N 3.41Å; N80-L83 HydrophobicContact CB-CD1 3.8Å; N80-L83 HydrophobicContact CB-CG 4.13Å; N80-L83 WeakPolarHBondContact O-CB 3.24Å; N80-L83 PolarHBondContact O-N 3.49Å; N80-F84 HydrophobicContact CB-CE2 4.14Å; N80-F84 VanDerWaalsContact O-CD2 3.22Å; N80-F84 WeakPolarHBondContact O-CD2 3.32Å |
| 81 | A | 86.3 | Confident | 89.7 | Confident | 27 Ų | 27 | 62.9 Ų | 62.9 | 22% | 0.223 | 34% | 0.343 | C | S | . | . | G | 310 helix | trans | -49 | -37.4 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | T77 L83 F84 | T77-A81 WeakPolarHBondContact O-CA 3.5Å; T77-A81 PolarHBondContact O-N 2.9Å; T77-A81 VanDerWaalsContact O-N 3.14Å; A81-L83 PolarHBondContact O-N 2.81Å; A81-F84 PolarHBondContact O-N 2.84Å; A81-F84 VanDerWaalsContact O-O 3.12Å |
| 82 | A | 87.4 | Confident | 90 | Very high | 104 Ų | 104 | 64 Ų | 64 | 86% | 0.86 | 34% | 0.342 | S | S | * | . | G | 310 helix | trans | -64.3 | -18.6 | -180 | 0 | 0 | 0 | 0 | 0 | 114.5 | N80 F84 | N80-A82 PolarHBondContact O-N 3.41Å; A82-F84 VanDerWaalsContact C-N 3.31Å |
| 83 | L | 85.4 | Confident | 90.2 | Very high | 79 Ų | 79 | 65.5 Ų | 65.5 | 41% | 0.414 | 35% | 0.35 | S | S | . | . | G | 310 helix | trans | -81 | -16.2 | 175.9 | -60.8 | -176.7 | 0 | 0 | 0 | 112.7 | K10 N80 A81 | K10-L83 HydrophobicContact CG-CD1 4.3Å; N80-L83 HydrophobicContact CB-CD1 3.8Å; N80-L83 HydrophobicContact CB-CG 4.13Å; N80-L83 WeakPolarHBondContact O-CB 3.24Å; N80-L83 PolarHBondContact O-N 3.49Å; A81-L83 PolarHBondContact O-N 2.81Å |
| 84 | F | 88 | Confident | 90.5 | Very high | 15 Ų | 15 | 67.6 Ų | 67.6 | 7% | 0.066 | 37% | 0.365 | C | S | . | . | trans | -114.7 | 156.6 | -171.9 | -57.4 | -81.1 | 0 | 0 | 0 | 110.7 | S9 K13 T76 T77 N80 A81 A82 I103 | S9-F84 VanDerWaalsContact O-CE1 3.3Å; S9-F84 WeakPolarHBondContact O-CE1 3.42Å; S9-F84 WeakPolarHBondContact O-CZ 3.37Å; K13-F84 HydrophobicContact CB-CD1 4.46Å; K13-F84 HydrophobicContact CG-CE1 4.43Å; T76-F84 HydrophobicContact CG2-CZ 4.37Å; T77-F84 HydrophobicContact CG2-CD2 4.12Å; T77-F84 HydrophobicContact CG2-CG 4.37Å; N80-F84 HydrophobicContact CB-CE2 4.14Å; N80-F84 VanDerWaalsContact O-CD2 3.22Å; N80-F84 WeakPolarHBondContact O-CD2 3.32Å; A81-F84 PolarHBondContact O-N 2.84Å; A81-F84 VanDerWaalsContact O-O 3.12Å; A82-F84 VanDerWaalsContact C-N 3.31Å; F84-I103 HydrophobicContact CB-CD1 3.55Å | ||
| 85 | K | 90 | Very high | 90.7 | Very high | 167 Ų | 167 | 66.4 Ų | 66.4 | 73% | 0.726 | 37% | 0.368 | S | S | * | . | trans | -134.4 | 160.8 | 173.2 | 57.8 | 178.9 | -178.2 | 177 | 0 | 108.5 | ||||
| 86 | L | 91.1 | Very high | 91 | Very high | 33 Ų | 33 | 65.5 Ų | 65.5 | 17% | 0.173 | 36% | 0.363 | C | S | . | . | trans | -56.7 | 142.6 | 167 | -71.7 | 173.8 | 0 | 0 | 0 | 109.6 | I90 L99 Q102 I103 T106 F161 | L86-I90 HydrophobicContact CB-CB 4.35Å; L86-I90 HydrophobicContact CB-CG2 4.46Å; L86-I90 HydrophobicContact CD1-CG2 4.28Å; L86-I90 HydrophobicContact CD2-CG2 4.37Å; L86-L99 HydrophobicContact CG-CD1 4.16Å; L86-Q102 HydrophobicContact CD2-CB 4.07Å; L86-I103 HydrophobicContact CD2-CG1 4.12Å; L86-T106 HydrophobicContact CD2-CG2 3.9Å; L86-F161 HydrophobicContact CD2-CZ 4.33Å | ||
| 87 | G | 88.3 | Confident | 91.2 | Very high | 16 Ų | 16 | 65.4 Ų | 65.4 | 17% | 0.165 | 36% | 0.363 | C | S | . | . | trans | -56.6 | 147.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | D89 I90 | G87-D89 WeakPolarHBondContact CA-OD1 3.22Å; G87-D89 PolarHBondContact O-N 2.79Å; G87-D89 VanDerWaalsContact O-N 3.09Å; G87-I90 WeakPolarHBondContact O-CB 3.39Å; G87-I90 PolarHBondContact O-N 2.92Å | ||
| 88 | S | 90.2 | Very high | 91.5 | Very high | 134 Ų | 134 | 71.3 Ų | 71.3 | 94% | 0.937 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -13.5 | 178.7 | 52.9 | 0 | 0 | 0 | 0 | 113.4 | I90 | S88-I90 VanDerWaalsContact C-N 3.3Š|
| 89 | D | 92.4 | Very high | 91.7 | Very high | 59 Ų | 59 | 70.3 Ų | 70.3 | 32% | 0.316 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -2.8 | 173.6 | 64.4 | -37.4 | 0 | 0 | 0 | 113.7 | G87 R110 | G87-D89 WeakPolarHBondContact CA-OD1 3.22Å; G87-D89 PolarHBondContact O-N 2.79Å; G87-D89 VanDerWaalsContact O-N 3.09Å; D89-R110 IonicContact OD1-CZ 2.8Å; D89-R110 IonicContact OD1-NE 3.53Å; D89-R110 IonicContact OD1-NH2 2.74Å; D89-R110 PolarHBondContact OD1-NH2 3.34Å; D89-R110 IonicContact OD2-CZ 3.12Å; D89-R110 IonicContact OD2-NE 2.98Å; D89-R110 PolarHBondContact OD2-NE 3.34Å; D89-R110 IonicContact OD2-NH2 2.64Å; D89-R110 PolarHBondContact OD2-NH2 2.74Å |
| 90 | I | 95.2 | Very high | 91.9 | Very high | 19 Ų | 19 | 63.3 Ų | 63.3 | 10% | 0.097 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 122.6 | -178.7 | -53.6 | -56.4 | 0 | 0 | 0 | 110.1 | L86 G87 S88 T106 F163 K164 M165 | L86-I90 HydrophobicContact CB-CB 4.35Å; L86-I90 HydrophobicContact CB-CG2 4.46Å; L86-I90 HydrophobicContact CD1-CG2 4.28Å; L86-I90 HydrophobicContact CD2-CG2 4.37Å; G87-I90 WeakPolarHBondContact O-CB 3.39Å; G87-I90 PolarHBondContact O-N 2.92Å; S88-I90 VanDerWaalsContact C-N 3.3Å; I90-T106 HydrophobicContact CD1-CG2 4.01Å; I90-T106 HydrophobicContact CG1-CG2 4.02Å; I90-T106 HydrophobicContact CG2-CG2 3.93Å; I90-F163 HydrophobicContact CD1-CD2 4.21Å; I90-F163 HydrophobicContact CD1-CE2 4.33Å; I90-F163 HydrophobicContact CG2-CB 3.97Å; I90-F163 HydrophobicContact CG2-CD2 4.07Å; I90-F163 HydrophobicContact CG2-CG 4.29Å; I90-K164 WeakPolarHBondContact CA-O 3.27Å; I90-M165 HydrophobicContact CD1-CB 3.81Å; I90-M165 HydrophobicContact CD1-CG 3.76Å; I90-M165 HydrophobicContact CD1-SD 3.98Å |
| 91 | E | 95.8 | Very high | 92.1 | Very high | 108 Ų | 108 | 63 Ų | 63 | 51% | 0.505 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 112.3 | 168.9 | -180 | -176 | 170.9 | 0 | 0 | 108.3 | F163 K164 | E91-F163 CarbonylContact O-C 3.52Å; E91-F163 VanDerWaalsContact O-CA 3.28Å; E91-F163 WeakPolarHBondContact O-CA 3.33Å; E91-K164 HydrophobicContact CB-CB 4.18Å; E91-K164 PolarHBondContact N-O 3.06Å; E91-K164 PolarHBondContact O-N 3.12Å; E91-K164 WeakPolarHBondContact OE2-CD 3.48Å; E91-K164 IonicContact OE2-NZ 3.35Å; E91-K164 PolarHBondContact OE2-NZ 2.79Å |
| 92 | Y | 96.1 | Very high | 92.5 | Very high | 109 Ų | 109 | 62.6 Ų | 62.6 | 43% | 0.427 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 130.9 | 174.7 | 175.2 | -85.8 | 0 | 0 | 0 | 110.1 | S94 G95 F161 | Y92-S94 VanDerWaalsContact OH-C 3.31Å; Y92-G95 PolarHBondContact OH-N 2.73Å; Y92-G95 PolarHBondContact OH-O 3.19Å; Y92-F161 HydrophobicContact CD2-CD2 4.42Å; Y92-F161 AromaticContact CD2-CE2 3.87Å; Y92-F161 HydrophobicContact CD2-CE2 3.87Å; Y92-F161 HydrophobicContact CE2-CD2 4.35Å; Y92-F161 HydrophobicContact CE2-CE2 4.23Å |
| 93 | I | 95.2 | Very high | 92.8 | Very high | 70 Ų | 70 | 57.9 Ų | 57.9 | 36% | 0.359 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | -59.5 | 177.2 | -59.7 | 171.4 | 0 | 0 | 0 | 110.1 | F149 H162 K164 | I93-F149 HydrophobicContact CD1-CE1 4.34Å; I93-F149 HydrophobicContact CD1-CZ 4.44Å; I93-H162 HydrophobicContact CB-CB 3.94Å; I93-H162 WeakPolarHBondContact CB-O 3.44Å; I93-H162 HydrophobicContact CG2-CB 4.25Å; I93-H162 PolarHBondContact N-O 2.89Å; I93-K164 HydrophobicContact CD1-CB 4.13Å |
| 94 | S | 95.1 | Very high | 93.2 | Very high | 46 Ų | 46 | 54.4 Ų | 54.4 | 32% | 0.322 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.6 | 166.5 | -178.3 | 64.3 | 0 | 0 | 0 | 0 | 111.1 | Y92 H162 | Y92-S94 VanDerWaalsContact OH-C 3.31Å; S94-H162 PolarHBondContact N-O 3.01Å; S94-H162 WeakPolarHBondContact O-CA 3.42Å; S94-H162 WeakPolarHBondContact O-CB 3.24Å; S94-H162 PolarHBondContact O-N 2.88Å; S94-H162 PolarHBondContact OG-ND1 2.85Å |
| 95 | G | 94.4 | Very high | 93.6 | Very high | 26 Ų | 26 | 53.7 Ų | 53.7 | 27% | 0.268 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 144.6 | 173.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y92 S160 | Y92-G95 PolarHBondContact OH-N 2.73Å; Y92-G95 PolarHBondContact OH-O 3.19Å; G95-S160 CarbonylContact C-O 3.55Å; G95-S160 VanDerWaalsContact CA-O 3.25Å; G95-S160 WeakPolarHBondContact CA-O 3.36Å; G95-S160 WeakPolarHBondContact CA-OG 3.42Å |
| 96 | D | 94.5 | Very high | 93.9 | Very high | 56 Ų | 56 | 45.7 Ų | 45.7 | 30% | 0.299 | 25% | 0.253 | S | S | . | . | trans | -127.8 | 0.4 | 177.9 | 66.4 | -1.3 | 0 | 0 | 0 | 113.4 | N158 T159 S160 | D96-N158 WeakPolarHBondContact OD1-CA 3.46Å; D96-N158 PolarHBondContact OD1-N 3.2Å; D96-N158 WeakPolarHBondContact OD2-CA 3.36Å; D96-N158 PolarHBondContact OD2-N 3.01Å; D96-T159 PolarHBondContact OD1-N 3.27Å; D96-S160 PolarHBondContact N-O 3.17Å; D96-S160 PolarHBondContact N-OG 3.14Å; D96-S160 PolarHBondContact OD1-N 3.36Å; D96-S160 PolarHBondContact OD1-OG 3.44Å; D96-S160 VanDerWaalsContact OD1-OG 3.12Å | ||
| 97 | M | 94.5 | Very high | 94 | Very high | 5 Ų | 5 | 44.5 Ų | 44.5 | 3% | 0.025 | 25% | 0.246 | C | C | . | . | trans | -57.1 | 142.3 | 174.5 | -179.2 | 178.6 | -72 | 0 | 0 | 112.1 | Q101 Q102 V105 W140 S160 F161 | M97-Q101 HydrophobicContact CG-CB 3.48Å; M97-Q101 VanDerWaalsContact CG-CB 3.48Å; M97-Q101 HydrophobicContact CG-CG 4.49Å; M97-Q101 HydrophobicContact SD-CB 3.7Å; M97-Q102 HydrophobicContact CB-CG 4.06Å; M97-Q102 HydrophobicContact CG-CG 4Å; M97-Q102 PolarHBondContact O-NE2 3.28Å; M97-Q102 HydrophobicContact SD-CG 4.26Å; M97-V105 HydrophobicContact CE-CG2 4.39Å; M97-V105 HydrophobicContact SD-CG2 3.94Å; M97-W140 HydrophobicContact CE-CH2 3.32Å; M97-W140 HydrophobicContact CE-CZ2 4.45Å; M97-W140 HydrophobicContact CE-CZ3 3.51Å; M97-S160 WeakPolarHBondContact CB-O 3.49Å; M97-S160 PolarHBondContact N-O 2.83Å; M97-F161 HydrophobicContact CB-CB 4.06Å; M97-F161 HydrophobicContact CE-CB 4.13Å; M97-F161 HydrophobicContact SD-CB 3.92Å; M97-F161 HydrophobicContact SD-CD1 4.09Å; M97-F161 HydrophobicContact SD-CG 4.3Å | ||
| 98 | M | 94.2 | Very high | 94.3 | Very high | 124 Ų | 124 | 45 Ų | 45 | 61% | 0.611 | 24% | 0.244 | S | C | * | . | trans | -65.3 | 146.1 | 179.5 | -59.4 | -173.3 | 101.1 | 0 | 0 | 112.1 | S100 Q101 Q102 | M98-S100 VanDerWaalsContact C-N 3.29Å; M98-S100 PolarHBondContact O-N 3.14Å; M98-S100 VanDerWaalsContact O-N 3.14Å; M98-Q101 HydrophobicContact CB-CG 4.45Å; M98-Q101 WeakPolarHBondContact O-CA 3.43Å; M98-Q101 WeakPolarHBondContact O-CB 3.33Å; M98-Q101 PolarHBondContact O-N 3.07Å; M98-Q102 WeakPolarHBondContact O-CG 3.37Å; M98-Q102 PolarHBondContact O-N 2.89Å | ||
| 99 | L | 92.8 | Very high | 94.6 | Very high | 77 Ų | 77 | 38.7 Ų | 38.7 | 40% | 0.403 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -51.9 | -42.2 | -176.9 | 177.5 | 61.6 | 0 | 0 | 0 | 113.7 | L86 Q101 Q102 I103 | L86-L99 HydrophobicContact CG-CD1 4.16Å; L99-Q101 VanDerWaalsContact C-N 3.31Å; L99-Q101 PolarHBondContact O-N 3.2Å; L99-Q102 WeakPolarHBondContact O-CB 3.29Å; L99-Q102 PolarHBondContact O-N 3.02Å; L99-I103 HydrophobicContact CD1-CD1 3.99Å; L99-I103 HydrophobicContact CD1-CG1 4.15Å; L99-I103 HydrophobicContact CG-CD1 3.83Å; L99-I103 HydrophobicContact CG-CG1 4.45Å; L99-I103 WeakPolarHBondContact O-CD1 3.41Å; L99-I103 VanDerWaalsContact O-CG1 3.26Å; L99-I103 WeakPolarHBondContact O-CG1 3.25Å; L99-I103 PolarHBondContact O-N 2.64Å |
| 100 | S | 92.6 | Very high | 94.6 | Very high | 11 Ų | 11 | 37.1 Ų | 37.1 | 8% | 0.077 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.9 | -38.3 | 177.8 | 47.4 | 0 | 0 | 0 | 0 | 113.2 | M98 N104 | M98-S100 VanDerWaalsContact C-N 3.29Å; M98-S100 PolarHBondContact O-N 3.14Å; M98-S100 VanDerWaalsContact O-N 3.14Å; S100-N104 PolarHBondContact O-N 3.11Å; S100-N104 VanDerWaalsContact O-N 3.11Å; S100-N104 PolarHBondContact O-ND2 3.35Å |
| 101 | Q | 94.3 | Very high | 94.5 | Very high | 37 Ų | 37 | 39 Ų | 39 | 17% | 0.173 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -69.3 | -43.5 | 174.8 | -64.7 | 173.7 | -39.5 | 0 | 0 | 110.3 | M97 M98 L99 I103 N104 V105 F136 | M97-Q101 HydrophobicContact CG-CB 3.48Å; M97-Q101 VanDerWaalsContact CG-CB 3.48Å; M97-Q101 HydrophobicContact CG-CG 4.49Å; M97-Q101 HydrophobicContact SD-CB 3.7Å; M98-Q101 HydrophobicContact CB-CG 4.45Å; M98-Q101 WeakPolarHBondContact O-CA 3.43Å; M98-Q101 WeakPolarHBondContact O-CB 3.33Å; M98-Q101 PolarHBondContact O-N 3.07Å; L99-Q101 VanDerWaalsContact C-N 3.31Å; L99-Q101 PolarHBondContact O-N 3.2Å; Q101-I103 VanDerWaalsContact C-N 3.31Å; Q101-I103 PolarHBondContact O-N 3Å; Q101-N104 PolarHBondContact O-N 3.34Å; Q101-V105 WeakPolarHBondContact O-CB 3.27Å; Q101-V105 VanDerWaalsContact O-CG2 3.29Å; Q101-V105 WeakPolarHBondContact O-CG2 3.46Å; Q101-V105 PolarHBondContact O-N 3.1Å; Q101-F136 HydrophobicContact CB-CE1 4.39Å; Q101-F136 HydrophobicContact CB-CZ 4.13Å; Q101-F136 HydrophobicContact CG-CE1 3.84Å; Q101-F136 HydrophobicContact CG-CZ 4.08Å |
| 102 | Q | 95.7 | Very high | 94.4 | Very high | 19 Ų | 19 | 34.2 Ų | 34.2 | 9% | 0.089 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -55.6 | -46.5 | 175.2 | -64.4 | -179.6 | 8.2 | 0 | 0 | 111.3 | L86 M97 M98 L99 V105 T106 F161 | L86-Q102 HydrophobicContact CD2-CB 4.07Å; M97-Q102 HydrophobicContact CB-CG 4.06Å; M97-Q102 HydrophobicContact CG-CG 4Å; M97-Q102 PolarHBondContact O-NE2 3.28Å; M97-Q102 HydrophobicContact SD-CG 4.26Å; M98-Q102 WeakPolarHBondContact O-CG 3.37Å; M98-Q102 PolarHBondContact O-N 2.89Å; L99-Q102 WeakPolarHBondContact O-CB 3.29Å; L99-Q102 PolarHBondContact O-N 3.02Å; Q102-V105 PolarHBondContact O-N 2.98Å; Q102-T106 WeakPolarHBondContact O-CG2 3.03Å; Q102-T106 PolarHBondContact O-N 2.89Å; Q102-T106 PolarHBondContact O-OG1 2.8Å; Q102-F161 HydrophobicContact CB-CD1 4.11Å; Q102-F161 HydrophobicContact CB-CE1 3.66Å; Q102-F161 HydrophobicContact CB-CE2 4.14Å; Q102-F161 HydrophobicContact CB-CZ 3.69Å; Q102-F161 HydrophobicContact CG-CD1 4.03Å; Q102-F161 HydrophobicContact CG-CD2 3.89Å; Q102-F161 HydrophobicContact CG-CE1 4.01Å; Q102-F161 HydrophobicContact CG-CE2 3.88Å; Q102-F161 HydrophobicContact CG-CG 3.99Å; Q102-F161 HydrophobicContact CG-CZ 3.94Å |
| 103 | I | 93.8 | Very high | 94.3 | Very high | 6 Ų | 6 | 30.7 Ų | 30.7 | 3% | 0.031 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -58.7 | -51.6 | 176.7 | -68 | 159.7 | 0 | 0 | 0 | 110.2 | T77 F84 L86 L99 Q101 V105 T106 N107 | T77-I103 HydrophobicContact CG2-CB 3.99Å; T77-I103 HydrophobicContact CG2-CD1 4.36Å; T77-I103 HydrophobicContact CG2-CG2 3.66Å; F84-I103 HydrophobicContact CB-CD1 3.55Å; L86-I103 HydrophobicContact CD2-CG1 4.12Å; L99-I103 HydrophobicContact CD1-CD1 3.99Å; L99-I103 HydrophobicContact CD1-CG1 4.15Å; L99-I103 HydrophobicContact CG-CD1 3.83Å; L99-I103 HydrophobicContact CG-CG1 4.45Å; L99-I103 WeakPolarHBondContact O-CD1 3.41Å; L99-I103 VanDerWaalsContact O-CG1 3.26Å; L99-I103 WeakPolarHBondContact O-CG1 3.25Å; L99-I103 PolarHBondContact O-N 2.64Å; Q101-I103 VanDerWaalsContact C-N 3.31Å; Q101-I103 PolarHBondContact O-N 3Å; I103-V105 VanDerWaalsContact C-N 3.31Å; I103-V105 PolarHBondContact O-N 3.46Å; I103-T106 PolarHBondContact O-N 3.48Å; I103-T106 PolarHBondContact O-OG1 3.31Å; I103-N107 VanDerWaalsContact CG2-ND2 3.31Å; I103-N107 WeakPolarHBondContact CG2-ND2 3.32Å; I103-N107 WeakPolarHBondContact O-CB 3.48Å; I103-N107 PolarHBondContact O-N 2.81Å; I103-N107 PolarHBondContact O-ND2 3.37Å; I103-N107 VanDerWaalsContact O-ND2 3.16Å |
| 104 | N | 93.7 | Very high | 94.1 | Very high | 5 Ų | 5 | 32.9 Ų | 32.9 | 3% | 0.027 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -57.2 | -43.3 | 178.2 | -74.4 | -21.6 | 0 | 0 | 0 | 112.6 | R74 S100 Q101 N107 E108 | R74-N104 HydrophobicContact CG-CB 4.46Å; R74-N104 PolarHBondContact O-ND2 2.81Å; S100-N104 PolarHBondContact O-N 3.11Å; S100-N104 VanDerWaalsContact O-N 3.11Å; S100-N104 PolarHBondContact O-ND2 3.35Å; Q101-N104 PolarHBondContact O-N 3.34Å; N104-N107 PolarHBondContact O-N 2.95Å; N104-E108 PolarHBondContact O-N 2.91Å |
| 105 | V | 96.3 | Very high | 94 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.9 | -45.7 | 177.9 | 171.9 | 0 | 0 | 0 | 0 | 111.5 | M97 Q101 Q102 I103 N107 E108 A109 L128 F131 L132 F136 F161 F163 I172 | M97-V105 HydrophobicContact CE-CG2 4.39Å; M97-V105 HydrophobicContact SD-CG2 3.94Å; Q101-V105 WeakPolarHBondContact O-CB 3.27Å; Q101-V105 VanDerWaalsContact O-CG2 3.29Å; Q101-V105 WeakPolarHBondContact O-CG2 3.46Å; Q101-V105 PolarHBondContact O-N 3.1Å; Q102-V105 PolarHBondContact O-N 2.98Å; I103-V105 VanDerWaalsContact C-N 3.31Å; I103-V105 PolarHBondContact O-N 3.46Å; V105-N107 VanDerWaalsContact C-N 3.32Å; V105-N107 PolarHBondContact O-N 2.76Å; V105-E108 PolarHBondContact O-N 2.89Å; V105-A109 WeakPolarHBondContact O-CB 3.15Å; V105-A109 PolarHBondContact O-N 2.99Å; V105-L128 HydrophobicContact CG1-CD1 4.46Å; V105-F131 HydrophobicContact CG2-CE1 4.46Å; V105-L132 HydrophobicContact CG1-CD2 4.49Å; V105-L132 HydrophobicContact CG2-CD2 3.55Å; V105-F136 HydrophobicContact CG2-CE2 3.9Å; V105-F161 HydrophobicContact CB-CD1 4.26Å; V105-F161 HydrophobicContact CB-CE1 4.41Å; V105-F161 HydrophobicContact CG1-CD1 4.03Å; V105-F161 HydrophobicContact CG1-CE1 4.33Å; V105-F163 HydrophobicContact CG1-CE1 4.11Å; V105-I172 HydrophobicContact CG1-CD1 3.51Å |
| 106 | T | 95.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66 | -34.4 | 178 | 59.4 | 0 | 0 | 0 | 0 | 112.9 | L86 I90 Q102 I103 A109 R110 F161 F163 | L86-T106 HydrophobicContact CD2-CG2 3.9Å; I90-T106 HydrophobicContact CD1-CG2 4.01Å; I90-T106 HydrophobicContact CG1-CG2 4.02Å; I90-T106 HydrophobicContact CG2-CG2 3.93Å; Q102-T106 WeakPolarHBondContact O-CG2 3.03Å; Q102-T106 PolarHBondContact O-N 2.89Å; Q102-T106 PolarHBondContact O-OG1 2.8Å; I103-T106 PolarHBondContact O-N 3.48Å; I103-T106 PolarHBondContact O-OG1 3.31Å; T106-A109 PolarHBondContact O-N 3.42Å; T106-R110 WeakPolarHBondContact O-CB 3.29Å; T106-R110 PolarHBondContact O-N 2.89Å; T106-F161 HydrophobicContact CG2-CE1 3.55Å; T106-F161 HydrophobicContact CG2-CZ 3.71Å; T106-F163 HydrophobicContact CG2-CD1 4.27Å; T106-F163 HydrophobicContact CG2-CD2 4.02Å; T106-F163 HydrophobicContact CG2-CE1 4.21Å; T106-F163 HydrophobicContact CG2-CE2 3.97Å; T106-F163 HydrophobicContact CG2-CG 4.18Å; T106-F163 HydrophobicContact CG2-CZ 4.06Å |
| 107 | N | 93.4 | Very high | 93.7 | Very high | 8 Ų | 8 | 40.5 Ų | 40.5 | 4% | 0.043 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -68 | -42.6 | 177.2 | -68.3 | -21.7 | 0 | 0 | 0 | 111.5 | Y15 I103 N104 V105 R110 K111 | Y15-N107 HydrophobicContact CD1-CB 3.97Å; Y15-N107 HydrophobicContact CD2-CB 4.06Å; Y15-N107 WeakPolarHBondContact CD2-ND2 3.05Å; Y15-N107 HydrophobicContact CE1-CB 3.71Å; Y15-N107 HydrophobicContact CE2-CB 3.77Å; Y15-N107 WeakPolarHBondContact CE2-ND2 3.34Å; Y15-N107 HydrophobicContact CG-CB 4.15Å; Y15-N107 VanDerWaalsContact CG-CG 3.49Å; I103-N107 VanDerWaalsContact CG2-ND2 3.31Å; I103-N107 WeakPolarHBondContact CG2-ND2 3.32Å; I103-N107 WeakPolarHBondContact O-CB 3.48Å; I103-N107 PolarHBondContact O-N 2.81Å; I103-N107 PolarHBondContact O-ND2 3.37Å; I103-N107 VanDerWaalsContact O-ND2 3.16Å; N104-N107 PolarHBondContact O-N 2.95Å; V105-N107 VanDerWaalsContact C-N 3.32Å; V105-N107 PolarHBondContact O-N 2.76Å; N107-R110 PolarHBondContact O-N 3.24Å; N107-R110 PolarHBondContact OD1-NH1 2.94Å; N107-K111 PolarHBondContact O-N 2.98Å |
| 108 | E | 95 | Very high | 93.2 | Very high | 27 Ų | 27 | 42.6 Ų | 42.6 | 13% | 0.126 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.8 | -44.2 | 173.4 | -166.7 | 67 | -165.4 | 0 | 0 | 111.1 | N104 V105 R110 K111 L112 L128 F131 | N104-E108 PolarHBondContact O-N 2.91Å; V105-E108 PolarHBondContact O-N 2.89Å; E108-R110 VanDerWaalsContact C-N 3.28Å; E108-R110 PolarHBondContact O-N 3.21Å; E108-K111 WeakPolarHBondContact O-CB 3.5Å; E108-K111 PolarHBondContact O-N 3.24Å; E108-L112 HydrophobicContact CG-CD1 4.19Å; E108-L112 HydrophobicContact CG-CG 4.47Å; E108-L112 VanDerWaalsContact O-CG 3.29Å; E108-L112 WeakPolarHBondContact O-CG 3.42Å; E108-L112 PolarHBondContact O-N 2.86Å; E108-L128 HydrophobicContact CB-CD1 4.14Å; E108-L128 HydrophobicContact CG-CD1 4.14Å; E108-F131 HydrophobicContact CB-CD1 4.09Å; E108-F131 HydrophobicContact CB-CD2 4.49Å; E108-F131 HydrophobicContact CB-CE1 4Å; E108-F131 HydrophobicContact CB-CE2 4.4Å; E108-F131 HydrophobicContact CB-CG 4.33Å; E108-F131 HydrophobicContact CB-CZ 4.17Å; E108-F131 HydrophobicContact CG-CB 4.1Å; E108-F131 HydrophobicContact CG-CD1 3.89Å; E108-F131 HydrophobicContact CG-CD2 3.83Å; E108-F131 HydrophobicContact CG-CE1 4.25Å; E108-F131 HydrophobicContact CG-CE2 4.19Å; E108-F131 HydrophobicContact CG-CG 3.67Å; E108-F131 HydrophobicContact CG-CZ 4.39Å |
| 109 | A | 96 | Very high | 92.7 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.1 | -39.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | V105 T106 Y113 L128 F163 F170 | V105-A109 WeakPolarHBondContact O-CB 3.15Å; V105-A109 PolarHBondContact O-N 2.99Å; T106-A109 PolarHBondContact O-N 3.42Å; A109-Y113 VanDerWaalsContact O-CB 3.27Å; A109-Y113 WeakPolarHBondContact O-CB 3.38Å; A109-Y113 PolarHBondContact O-N 3.06Å; A109-L128 HydrophobicContact CB-CD2 4.11Å; A109-F163 HydrophobicContact CB-CE2 4.32Å; A109-F163 HydrophobicContact CB-CZ 3.83Å; A109-F170 HydrophobicContact CB-CD1 4.41Å; A109-F170 HydrophobicContact CB-CE1 4.05Å; A109-F170 HydrophobicContact CB-CZ 4.36Å |
| 110 | R | 93.4 | Very high | 92.7 | Very high | 26 Ų | 26 | 45 Ų | 45 | 10% | 0.098 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64 | -45.6 | 175.8 | -169.2 | -178.4 | -59.6 | 101.4 | 1.8 | 111.7 | D89 T106 N107 E108 Y113 Q114 M165 | D89-R110 IonicContact OD1-CZ 2.8Å; D89-R110 IonicContact OD1-NE 3.53Å; D89-R110 IonicContact OD1-NH2 2.74Å; D89-R110 PolarHBondContact OD1-NH2 3.34Å; D89-R110 IonicContact OD2-CZ 3.12Å; D89-R110 IonicContact OD2-NE 2.98Å; D89-R110 PolarHBondContact OD2-NE 3.34Å; D89-R110 IonicContact OD2-NH2 2.64Å; D89-R110 PolarHBondContact OD2-NH2 2.74Å; T106-R110 WeakPolarHBondContact O-CB 3.29Å; T106-R110 PolarHBondContact O-N 2.89Å; N107-R110 PolarHBondContact O-N 3.24Å; N107-R110 PolarHBondContact OD1-NH1 2.94Å; E108-R110 VanDerWaalsContact C-N 3.28Å; E108-R110 PolarHBondContact O-N 3.21Å; R110-Y113 PolarHBondContact O-N 3.44Å; R110-Q114 WeakPolarHBondContact O-CG 3.33Å; R110-Q114 PolarHBondContact O-N 2.76Å; R110-M165 HydrophobicContact CB-SD 3.91Å; R110-M165 HydrophobicContact CG-SD 4.19Å |
| 111 | K | 91.7 | Very high | 92.8 | Very high | 59 Ų | 59 | 47.9 Ų | 47.9 | 26% | 0.257 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -57.8 | -51.9 | 175 | 175.1 | -176.2 | 169.5 | -176.6 | 0 | 111.1 | E70 N107 E108 Y113 Q114 E115 | E70-K111 WeakPolarHBondContact OE1-CE 3.33Å; E70-K111 IonicContact OE1-NZ 3.97Å; E70-K111 PolarHBondContact OE1-NZ 3.33Å; E70-K111 IonicContact OE2-NZ 3.69Å; E70-K111 PolarHBondContact OE2-NZ 3.29Å; N107-K111 PolarHBondContact O-N 2.98Å; E108-K111 WeakPolarHBondContact O-CB 3.5Å; E108-K111 PolarHBondContact O-N 3.24Å; K111-Y113 VanDerWaalsContact C-N 3.29Å; K111-Y113 PolarHBondContact O-N 2.87Å; K111-Q114 PolarHBondContact O-N 3.39Å; K111-Q114 VanDerWaalsContact O-N 3.1Å; K111-E115 PolarHBondContact O-N 3.45Å |
| 112 | L | 95 | Very high | 92.8 | Very high | 7 Ų | 7 | 52.9 Ų | 52.9 | 4% | 0.037 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61 | -38.6 | 178.8 | -66.1 | 172.8 | 0 | 0 | 0 | 112 | E108 E115 Y116 I124 K127 L128 | E108-L112 HydrophobicContact CG-CD1 4.19Å; E108-L112 HydrophobicContact CG-CG 4.47Å; E108-L112 VanDerWaalsContact O-CG 3.29Å; E108-L112 WeakPolarHBondContact O-CG 3.42Å; E108-L112 PolarHBondContact O-N 2.86Å; L112-E115 PolarHBondContact O-N 2.93Å; L112-Y116 HydrophobicContact CB-CD2 4.47Å; L112-Y116 HydrophobicContact CD2-CD2 4.24Å; L112-Y116 HydrophobicContact CD2-CE2 3.78Å; L112-Y116 WeakPolarHBondContact O-CD2 3.31Å; L112-Y116 PolarHBondContact O-N 3.42Å; L112-I124 HydrophobicContact CB-CG1 4.46Å; L112-I124 HydrophobicContact CB-CG2 4.16Å; L112-K127 HydrophobicContact CD1-CB 3.89Å; L112-K127 HydrophobicContact CD2-CB 3.59Å; L112-K127 HydrophobicContact CD2-CG 4.29Å; L112-K127 HydrophobicContact CG-CB 4.4Å; L112-L128 HydrophobicContact CD1-CB 3.79Å; L112-L128 HydrophobicContact CD1-CD1 4.28Å |
| 113 | Y | 93.6 | Very high | 92.8 | Very high | 35 Ų | 35 | 55.2 Ų | 55.2 | 14% | 0.137 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.3 | -41.3 | 174.7 | -176.9 | -80.7 | 0 | 0 | 0 | 112.1 | A109 R110 K111 K117 M165 K166 L168 | A109-Y113 VanDerWaalsContact O-CB 3.27Å; A109-Y113 WeakPolarHBondContact O-CB 3.38Å; A109-Y113 PolarHBondContact O-N 3.06Å; R110-Y113 PolarHBondContact O-N 3.44Å; K111-Y113 VanDerWaalsContact C-N 3.29Å; K111-Y113 PolarHBondContact O-N 2.87Å; Y113-K117 WeakPolarHBondContact O-CA 3.45Å; Y113-K117 PolarHBondContact O-N 3.11Å; Y113-M165 HydrophobicContact CD2-CE 4.03Å; Y113-M165 HydrophobicContact CG-CE 3.86Å; Y113-K166 HydrophobicContact CD1-CD 4.44Å; Y113-K166 HydrophobicContact CE1-CD 3.68Å; Y113-K166 VanDerWaalsContact CE1-NZ 3.34Å; Y113-K166 HydrophobicContact CE2-CD 4.46Å; Y113-L168 HydrophobicContact CD2-CD1 3.85Å; Y113-L168 HydrophobicContact CE2-CD1 3.66Å; Y113-L168 HydrophobicContact CE2-CG 4.36Å |
| 114 | Q | 91 | Very high | 92.9 | Very high | 117 Ų | 117 | 54.9 Ų | 54.9 | 55% | 0.547 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -66.8 | -38.7 | 178.2 | -73.2 | 172.6 | -1 | 0 | 0 | 112 | R110 K111 K117 | R110-Q114 WeakPolarHBondContact O-CG 3.33Å; R110-Q114 PolarHBondContact O-N 2.76Å; K111-Q114 PolarHBondContact O-N 3.39Å; K111-Q114 VanDerWaalsContact O-N 3.1Å; Q114-K117 WeakPolarHBondContact O-CE 3.26Å; Q114-K117 PolarHBondContact O-NZ 2.92Å |
| 115 | E | 92.4 | Very high | 93.1 | Very high | 109 Ų | 109 | 55.2 Ų | 55.2 | 51% | 0.509 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -72.1 | -53 | -179.7 | -170.7 | 177.5 | 154 | 0 | 0 | 112.2 | K111 L112 | K111-E115 PolarHBondContact O-N 3.45Å; L112-E115 PolarHBondContact O-N 2.93Å |
| 116 | Y | 93.4 | Very high | 93.2 | Very high | 56 Ų | 56 | 58 Ų | 58 | 22% | 0.22 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -98.1 | -11.8 | -171.2 | -59.7 | -62.7 | 0 | 0 | 0 | 115 | L112 N120 L123 I124 K127 | L112-Y116 HydrophobicContact CB-CD2 4.47Å; L112-Y116 HydrophobicContact CD2-CD2 4.24Å; L112-Y116 HydrophobicContact CD2-CE2 3.78Å; L112-Y116 WeakPolarHBondContact O-CD2 3.31Å; L112-Y116 PolarHBondContact O-N 3.42Å; Y116-N120 PolarHBondContact O-ND2 3.18Å; Y116-L123 HydrophobicContact CD1-CD2 3.41Å; Y116-L123 VanDerWaalsContact CD1-CD2 3.41Å; Y116-L123 HydrophobicContact CD1-CG 4.26Å; Y116-L123 HydrophobicContact CD2-CD2 4.42Å; Y116-L123 HydrophobicContact CD2-CG 4.43Å; Y116-L123 HydrophobicContact CE1-CD2 3.57Å; Y116-L123 HydrophobicContact CE1-CG 4.35Å; Y116-L123 HydrophobicContact CG-CD2 3.89Å; Y116-L123 HydrophobicContact CG-CG 4.32Å; Y116-I124 HydrophobicContact CD2-CG1 4.4Å; Y116-K127 HydrophobicContact CE2-CG 4.17Å |
| 117 | K | 89.6 | Confident | 93.3 | Very high | 122 Ų | 122 | 61.2 Ų | 61.2 | 53% | 0.53 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61 | 169.1 | -174.2 | -48.2 | -55.7 | -175.8 | -163.1 | 0 | 113.6 | Y113 Q114 E119 N120 I124 | Y113-K117 WeakPolarHBondContact O-CA 3.45Å; Y113-K117 PolarHBondContact O-N 3.11Å; Q114-K117 WeakPolarHBondContact O-CE 3.26Å; Q114-K117 PolarHBondContact O-NZ 2.92Å; K117-E119 PolarHBondContact O-N 3.16Å; K117-E119 VanDerWaalsContact O-N 3.17Å; K117-N120 PolarHBondContact O-N 2.89Å; K117-I124 WeakPolarHBondContact O-CD1 3.4Å |
| 118 | S | 82.8 | Confident | 93.5 | Very high | 49 Ų | 49 | 60.9 Ų | 60.9 | 34% | 0.343 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -65 | -18.4 | -173.4 | 47.9 | 0 | 0 | 0 | 0 | 115.1 | N120 K121 | S118-N120 VanDerWaalsContact C-N 3.32Å; S118-K121 VanDerWaalsContact O-CG 3.25Å; S118-K121 WeakPolarHBondContact O-CG 3.44Å |
| 119 | E | 84.8 | Confident | 93.7 | Very high | 170 Ų | 170 | 63.1 Ų | 63.1 | 79% | 0.794 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -72.1 | -29.1 | -178 | -65.6 | 167.1 | -159.2 | 0 | 0 | 111.8 | K117 K121 | K117-E119 PolarHBondContact O-N 3.16Å; K117-E119 VanDerWaalsContact O-N 3.17Å; E119-K121 PolarHBondContact O-N 2.91Å |
| 120 | N | 91.9 | Very high | 93.7 | Very high | 81 Ų | 81 | 67.8 Ų | 67.8 | 43% | 0.433 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -96.3 | 46 | -174.7 | -68.9 | -54.9 | 0 | 0 | 0 | 112.9 | Y116 K117 S118 L122 L123 I124 | Y116-N120 PolarHBondContact O-ND2 3.18Å; K117-N120 PolarHBondContact O-N 2.89Å; S118-N120 VanDerWaalsContact C-N 3.32Å; N120-L122 VanDerWaalsContact C-N 3.28Å; N120-L122 PolarHBondContact O-N 3.22Å; N120-L123 HydrophobicContact CB-CB 4.21Å; N120-L123 PolarHBondContact O-N 3.14Å; N120-I124 PolarHBondContact O-N 3.36Å |
| 121 | K | 94.3 | Very high | 93.9 | Very high | 73 Ų | 73 | 67.6 Ų | 67.6 | 32% | 0.317 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -52 | -42.6 | -176.3 | -66.1 | -176.3 | -74.1 | -166.2 | 0 | 113.6 | S118 E119 L123 I124 A125 V144 D146 L168 | S118-K121 VanDerWaalsContact O-CG 3.25Å; S118-K121 WeakPolarHBondContact O-CG 3.44Å; E119-K121 PolarHBondContact O-N 2.91Å; K121-L123 VanDerWaalsContact C-N 3.33Å; K121-L123 PolarHBondContact O-N 2.72Å; K121-I124 PolarHBondContact O-N 2.86Å; K121-A125 WeakPolarHBondContact O-CB 3.4Å; K121-A125 PolarHBondContact O-N 2.93Å; K121-V144 HydrophobicContact CB-CB 4.32Å; K121-V144 HydrophobicContact CB-CG1 4.16Å; K121-V144 HydrophobicContact CD-CG1 4.34Å; K121-V144 HydrophobicContact CG-CG1 4.08Å; K121-D146 HydrophobicContact CD-CB 4.37Å; K121-L168 HydrophobicContact CD-CD2 3.94Å; K121-L168 HydrophobicContact CG-CD2 4.43Å |
| 122 | L | 94.8 | Very high | 94.2 | Very high | 141 Ų | 141 | 64.8 Ų | 64.8 | 74% | 0.738 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -63.9 | -39.5 | 179.6 | -179.4 | 61.4 | 0 | 0 | 0 | 111.8 | N120 A125 T126 | N120-L122 VanDerWaalsContact C-N 3.28Å; N120-L122 PolarHBondContact O-N 3.22Å; L122-A125 PolarHBondContact O-N 3.26Å; L122-T126 WeakPolarHBondContact O-CB 3.02Å; L122-T126 PolarHBondContact O-N 2.91Å; L122-T126 PolarHBondContact O-OG1 3.31Å |
| 123 | L | 95.9 | Very high | 94.2 | Very high | 68 Ų | 68 | 65.4 Ų | 65.4 | 36% | 0.356 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -70 | -43.2 | 178.5 | -172.9 | 59.4 | 0 | 0 | 0 | 110.9 | Y116 N120 K121 A125 T126 K127 | Y116-L123 HydrophobicContact CD1-CD2 3.41Å; Y116-L123 VanDerWaalsContact CD1-CD2 3.41Å; Y116-L123 HydrophobicContact CD1-CG 4.26Å; Y116-L123 HydrophobicContact CD2-CD2 4.42Å; Y116-L123 HydrophobicContact CD2-CG 4.43Å; Y116-L123 HydrophobicContact CE1-CD2 3.57Å; Y116-L123 HydrophobicContact CE1-CG 4.35Å; Y116-L123 HydrophobicContact CG-CD2 3.89Å; Y116-L123 HydrophobicContact CG-CG 4.32Å; N120-L123 HydrophobicContact CB-CB 4.21Å; N120-L123 PolarHBondContact O-N 3.14Å; K121-L123 VanDerWaalsContact C-N 3.33Å; K121-L123 PolarHBondContact O-N 2.72Å; L123-A125 PolarHBondContact O-N 3.47Å; L123-T126 PolarHBondContact O-N 2.88Å; L123-K127 HydrophobicContact CD1-CG 4.29Å; L123-K127 WeakPolarHBondContact O-CB 3.36Å; L123-K127 WeakPolarHBondContact O-CG 3.44Å; L123-K127 PolarHBondContact O-N 3.26Å |
| 124 | I | 97.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 72.7 Ų | 72.7 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -57.4 | -49.1 | 173.3 | -66 | 171.9 | 0 | 0 | 0 | 110.3 | L112 Y116 K117 N120 K121 T126 K127 L128 V144 F170 | L112-I124 HydrophobicContact CB-CG1 4.46Å; L112-I124 HydrophobicContact CB-CG2 4.16Å; Y116-I124 HydrophobicContact CD2-CG1 4.4Å; K117-I124 WeakPolarHBondContact O-CD1 3.4Å; N120-I124 PolarHBondContact O-N 3.36Å; K121-I124 PolarHBondContact O-N 2.86Å; I124-T126 VanDerWaalsContact C-N 3.33Å; I124-T126 PolarHBondContact O-N 3.47Å; I124-K127 PolarHBondContact O-N 2.93Å; I124-L128 VanDerWaalsContact O-CB 3.27Å; I124-L128 WeakPolarHBondContact O-CB 3.47Å; I124-L128 PolarHBondContact O-N 3.39Å; I124-V144 HydrophobicContact CG2-CG2 4.41Å; I124-F170 HydrophobicContact CG2-CE1 3.9Å; I124-F170 HydrophobicContact CG2-CZ 4.42Å |
| 125 | A | 97.6 | Very high | 94.4 | Very high | 12 Ų | 12 | 69.3 Ų | 69.3 | 10% | 0.099 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59.4 | -44.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | K121 L122 L123 K129 V142 V144 | K121-A125 WeakPolarHBondContact O-CB 3.4Å; K121-A125 PolarHBondContact O-N 2.93Å; L122-A125 PolarHBondContact O-N 3.26Å; L123-A125 PolarHBondContact O-N 3.47Å; A125-K129 VanDerWaalsContact O-CB 3.32Å; A125-K129 WeakPolarHBondContact O-CB 3.46Å; A125-K129 PolarHBondContact O-N 3.42Å; A125-V142 HydrophobicContact CB-CG1 4.05Å; A125-V144 HydrophobicContact CB-CG2 3.85Å |
| 126 | T | 97.7 | Very high | 94.4 | Very high | 59 Ų | 59 | 65.9 Ų | 65.9 | 36% | 0.362 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.2 | -47.3 | 179.5 | -57 | 0 | 0 | 0 | 0 | 111.4 | L122 L123 I124 K129 E130 | L122-T126 WeakPolarHBondContact O-CB 3.02Å; L122-T126 PolarHBondContact O-N 2.91Å; L122-T126 PolarHBondContact O-OG1 3.31Å; L123-T126 PolarHBondContact O-N 2.88Å; I124-T126 VanDerWaalsContact C-N 3.33Å; I124-T126 PolarHBondContact O-N 3.47Å; T126-K129 WeakPolarHBondContact O-CB 3.32Å; T126-K129 PolarHBondContact O-N 2.88Å; T126-E130 WeakPolarHBondContact O-CG 3.36Å; T126-E130 PolarHBondContact O-N 2.89Å |
| 127 | K | 97.8 | Very high | 94.3 | Very high | 67 Ų | 67 | 64.8 Ų | 64.8 | 29% | 0.291 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -67.9 | -37.9 | 179.3 | -69.3 | -52.9 | -173.8 | -170.2 | 0 | 112.9 | L112 Y116 L123 I124 K129 E130 F131 | L112-K127 HydrophobicContact CD1-CB 3.89Å; L112-K127 HydrophobicContact CD2-CB 3.59Å; L112-K127 HydrophobicContact CD2-CG 4.29Å; L112-K127 HydrophobicContact CG-CB 4.4Å; Y116-K127 HydrophobicContact CE2-CG 4.17Å; L123-K127 HydrophobicContact CD1-CG 4.29Å; L123-K127 WeakPolarHBondContact O-CB 3.36Å; L123-K127 WeakPolarHBondContact O-CG 3.44Å; L123-K127 PolarHBondContact O-N 3.26Å; I124-K127 PolarHBondContact O-N 2.93Å; K127-K129 VanDerWaalsContact C-N 3.34Å; K127-E130 VanDerWaalsContact CD-OE2 3.24Å; K127-E130 WeakPolarHBondContact CD-OE2 3.27Å; K127-E130 IonicContact NZ-OE1 3.24Å; K127-E130 PolarHBondContact NZ-OE1 2.81Å; K127-E130 IonicContact NZ-OE2 3Å; K127-E130 PolarHBondContact NZ-OE2 2.93Å; K127-E130 PolarHBondContact O-N 3.32Å; K127-F131 PolarHBondContact O-N 3.04Å |
| 128 | L | 98 | Very high | 94.5 | Very high | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -66.5 | -38.8 | 174.8 | -171.8 | 58.4 | 0 | 0 | 0 | 111.2 | V105 E108 A109 L112 I124 F131 L132 V142 F170 I172 | V105-L128 HydrophobicContact CG1-CD1 4.46Å; E108-L128 HydrophobicContact CB-CD1 4.14Å; E108-L128 HydrophobicContact CG-CD1 4.14Å; A109-L128 HydrophobicContact CB-CD2 4.11Å; L112-L128 HydrophobicContact CD1-CB 3.79Å; L112-L128 HydrophobicContact CD1-CD1 4.28Å; I124-L128 VanDerWaalsContact O-CB 3.27Å; I124-L128 WeakPolarHBondContact O-CB 3.47Å; I124-L128 PolarHBondContact O-N 3.39Å; L128-F131 HydrophobicContact CD1-CD1 4.16Å; L128-F131 WeakPolarHBondContact O-CB 3.28Å; L128-F131 PolarHBondContact O-N 2.8Å; L128-L132 HydrophobicContact CG-CD1 4.25Å; L128-L132 VanDerWaalsContact O-CG 3.25Å; L128-L132 WeakPolarHBondContact O-CG 2.98Å; L128-L132 PolarHBondContact O-N 2.85Å; L128-V142 HydrophobicContact CB-CG1 4.27Å; L128-V142 HydrophobicContact CD2-CG1 3.99Å; L128-V142 HydrophobicContact CG-CG1 4.38Å; L128-V142 HydrophobicContact CG-CG2 4.42Å; L128-F170 HydrophobicContact CD2-CD1 3.93Å; L128-F170 HydrophobicContact CD2-CE1 4.3Å; L128-I172 HydrophobicContact CD2-CD1 3.77Å |
| 129 | K | 98.2 | Very high | 95 | Very high | 74 Ų | 74 | 67.6 Ų | 67.6 | 32% | 0.322 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61 | -47.1 | 172.5 | -176.2 | -169.8 | -178.7 | -48.2 | 0 | 111.7 | A125 T126 K127 F131 L132 D133 W140 V142 | A125-K129 VanDerWaalsContact O-CB 3.32Å; A125-K129 WeakPolarHBondContact O-CB 3.46Å; A125-K129 PolarHBondContact O-N 3.42Å; T126-K129 WeakPolarHBondContact O-CB 3.32Å; T126-K129 PolarHBondContact O-N 2.88Å; K127-K129 VanDerWaalsContact C-N 3.34Å; K129-F131 VanDerWaalsContact C-N 3.27Å; K129-F131 PolarHBondContact O-N 2.85Å; K129-L132 PolarHBondContact O-N 2.88Å; K129-D133 IonicContact NZ-OD1 3.28Å; K129-D133 IonicContact NZ-OD2 3.26Å; K129-D133 PolarHBondContact NZ-OD2 2.83Å; K129-D133 WeakPolarHBondContact O-CB 3.29Å; K129-D133 PolarHBondContact O-N 3.42Å; K129-W140 WeakPolarHBondContact CE-O 3.19Å; K129-W140 HydrophobicContact CG-CB 4.48Å; K129-W140 WeakPolarHBondContact CG-O 3.27Å; K129-W140 PolarHBondContact NZ-O 3.4Å; K129-V142 HydrophobicContact CB-CB 4.34Å; K129-V142 HydrophobicContact CB-CG2 3.87Å |
| 130 | E | 97.7 | Very high | 95.6 | Very high | 99 Ų | 99 | 59.8 Ų | 59.8 | 46% | 0.463 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -56.2 | -42.9 | 175.8 | -73.8 | 172.6 | -166.1 | 0 | 0 | 111.5 | T126 K127 K134 | T126-E130 WeakPolarHBondContact O-CG 3.36Å; T126-E130 PolarHBondContact O-N 2.89Å; K127-E130 VanDerWaalsContact CD-OE2 3.24Å; K127-E130 WeakPolarHBondContact CD-OE2 3.27Å; K127-E130 IonicContact NZ-OE1 3.24Å; K127-E130 PolarHBondContact NZ-OE1 2.81Å; K127-E130 IonicContact NZ-OE2 3Å; K127-E130 PolarHBondContact NZ-OE2 2.93Å; K127-E130 PolarHBondContact O-N 3.32Å; E130-K134 WeakPolarHBondContact O-CB 3.45Å; E130-K134 PolarHBondContact O-N 2.95Å; E130-K134 VanDerWaalsContact O-N 3.11Å |
| 131 | F | 96.5 | Very high | 95.8 | Very high | 22 Ų | 22 | 59.7 Ų | 59.7 | 10% | 0.096 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.3 | -48.9 | 175.8 | 167.1 | -97.7 | 0 | 0 | 0 | 112.4 | V105 E108 K127 L128 K129 K134 T135 F136 | V105-F131 HydrophobicContact CG2-CE1 4.46Å; E108-F131 HydrophobicContact CB-CD1 4.09Å; E108-F131 HydrophobicContact CB-CD2 4.49Å; E108-F131 HydrophobicContact CB-CE1 4Å; E108-F131 HydrophobicContact CB-CE2 4.4Å; E108-F131 HydrophobicContact CB-CG 4.33Å; E108-F131 HydrophobicContact CB-CZ 4.17Å; E108-F131 HydrophobicContact CG-CB 4.1Å; E108-F131 HydrophobicContact CG-CD1 3.89Å; E108-F131 HydrophobicContact CG-CD2 3.83Å; E108-F131 HydrophobicContact CG-CE1 4.25Å; E108-F131 HydrophobicContact CG-CE2 4.19Å; E108-F131 HydrophobicContact CG-CG 3.67Å; E108-F131 HydrophobicContact CG-CZ 4.39Å; K127-F131 PolarHBondContact O-N 3.04Å; L128-F131 HydrophobicContact CD1-CD1 4.16Å; L128-F131 WeakPolarHBondContact O-CB 3.28Å; L128-F131 PolarHBondContact O-N 2.8Å; K129-F131 VanDerWaalsContact C-N 3.27Å; K129-F131 PolarHBondContact O-N 2.85Å; F131-K134 PolarHBondContact O-N 2.84Å; F131-T135 HydrophobicContact CZ-CG2 4.44Å; F131-T135 VanDerWaalsContact O-CB 3.27Å; F131-T135 WeakPolarHBondContact O-CB 3.27Å; F131-T135 PolarHBondContact O-N 3.29Å; F131-T135 PolarHBondContact O-OG1 2.91Å; F131-F136 HydrophobicContact CE1-CE2 4.36Å |
| 132 | L | 97.1 | Very high | 96 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.1 | -47.1 | -179.6 | -70.1 | 163.8 | 0 | 0 | 0 | 111.5 | V105 L128 K129 K134 T135 F136 W140 V142 I172 | V105-L132 HydrophobicContact CG1-CD2 4.49Å; V105-L132 HydrophobicContact CG2-CD2 3.55Å; L128-L132 HydrophobicContact CG-CD1 4.25Å; L128-L132 VanDerWaalsContact O-CG 3.25Å; L128-L132 WeakPolarHBondContact O-CG 2.98Å; L128-L132 PolarHBondContact O-N 2.85Å; K129-L132 PolarHBondContact O-N 2.88Å; L132-K134 VanDerWaalsContact C-N 3.26Å; L132-K134 PolarHBondContact O-N 2.58Å; L132-T135 PolarHBondContact O-N 2.88Å; L132-T135 VanDerWaalsContact O-N 3.17Å; L132-F136 HydrophobicContact CD2-CD2 3.7Å; L132-F136 HydrophobicContact CD2-CE2 3.8Å; L132-F136 PolarHBondContact O-N 2.97Å; L132-W140 HydrophobicContact CB-CB 3.87Å; L132-W140 HydrophobicContact CB-CD2 3.7Å; L132-W140 HydrophobicContact CB-CE3 4.28Å; L132-W140 HydrophobicContact CB-CG 3.47Å; L132-W140 VanDerWaalsContact CB-CG 3.47Å; L132-W140 HydrophobicContact CD1-CB 4.2Å; L132-W140 HydrophobicContact CD1-CD2 4.15Å; L132-W140 HydrophobicContact CD1-CE3 3.91Å; L132-W140 HydrophobicContact CD1-CG 4.28Å; L132-W140 HydrophobicContact CD2-CD2 4.26Å; L132-W140 HydrophobicContact CD2-CE3 4.14Å; L132-W140 HydrophobicContact CD2-CZ3 4.29Å; L132-W140 HydrophobicContact CG-CD2 4.26Å; L132-W140 HydrophobicContact CG-CE3 4.35Å; L132-W140 HydrophobicContact CG-CG 4.41Å; L132-W140 PolarHBondContact O-NE1 3.45Å; L132-V142 HydrophobicContact CD1-CG2 3.44Å; L132-V142 VanDerWaalsContact CD1-CG2 3.44Å; L132-I172 HydrophobicContact CD1-CD1 4.48Å; L132-I172 HydrophobicContact CD1-CG2 3.4Å; L132-I172 VanDerWaalsContact CD1-CG2 3.4Å; L132-I172 HydrophobicContact CD2-CG2 4.44Å |
| 133 | D | 96.6 | Very high | 96.1 | Very high | 19 Ų | 19 | 53.2 Ų | 53.2 | 10% | 0.102 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.4 | -38.6 | 177.6 | -80.1 | -21 | 0 | 0 | 0 | 112.1 | K129 G137 R138 W140 | K129-D133 IonicContact NZ-OD1 3.28Å; K129-D133 IonicContact NZ-OD2 3.26Å; K129-D133 PolarHBondContact NZ-OD2 2.83Å; K129-D133 WeakPolarHBondContact O-CB 3.29Å; K129-D133 PolarHBondContact O-N 3.42Å; D133-G137 CarbonylContact O-C 3.48Å; D133-G137 WeakPolarHBondContact O-CA 3.46Å; D133-G137 PolarHBondContact O-N 3.43Å; D133-R138 HydrophobicContact CB-CG 3.74Å; D133-W140 PolarHBondContact OD1-N 3.35Å |
| 134 | K | 95.1 | Very high | 96.1 | Very high | 189 Ų | 189 | 50.8 Ų | 50.8 | 82% | 0.822 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -75 | -35.2 | 178.4 | -175.8 | 178.6 | 177.9 | -178.2 | 0 | 112.5 | E130 F131 L132 | E130-K134 WeakPolarHBondContact O-CB 3.45Å; E130-K134 PolarHBondContact O-N 2.95Å; E130-K134 VanDerWaalsContact O-N 3.11Å; F131-K134 PolarHBondContact O-N 2.84Å; L132-K134 VanDerWaalsContact C-N 3.26Å; L132-K134 PolarHBondContact O-N 2.58Å |
| 135 | T | 92.8 | Very high | 96 | Very high | 45 Ų | 45 | 52.4 Ų | 52.4 | 28% | 0.276 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -91.6 | -36.9 | -170.2 | -51.9 | 0 | 0 | 0 | 0 | 112.5 | F131 L132 | F131-T135 HydrophobicContact CZ-CG2 4.44Å; F131-T135 VanDerWaalsContact O-CB 3.27Å; F131-T135 WeakPolarHBondContact O-CB 3.27Å; F131-T135 PolarHBondContact O-N 3.29Å; F131-T135 PolarHBondContact O-OG1 2.91Å; L132-T135 PolarHBondContact O-N 2.88Å; L132-T135 VanDerWaalsContact O-N 3.17Å |
| 136 | F | 92.5 | Very high | 95.8 | Very high | 37 Ų | 37 | 56.7 Ų | 56.7 | 16% | 0.162 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -121.9 | 7.9 | -172.5 | -51.7 | -56.5 | 0 | 0 | 0 | 113.4 | Q101 V105 F131 L132 W140 | Q101-F136 HydrophobicContact CB-CE1 4.39Å; Q101-F136 HydrophobicContact CB-CZ 4.13Å; Q101-F136 HydrophobicContact CG-CE1 3.84Å; Q101-F136 HydrophobicContact CG-CZ 4.08Å; V105-F136 HydrophobicContact CG2-CE2 3.9Å; F131-F136 HydrophobicContact CE1-CE2 4.36Å; L132-F136 HydrophobicContact CD2-CD2 3.7Å; L132-F136 HydrophobicContact CD2-CE2 3.8Å; L132-F136 PolarHBondContact O-N 2.97Å; F136-W140 HydrophobicContact CB-CZ2 3.58Å; F136-W140 HydrophobicContact CD2-CZ2 4.07Å; F136-W140 HydrophobicContact CG-CZ2 4.17Å |
| 137 | G | 92.3 | Very high | 95.4 | Very high | 34 Ų | 34 | 55.8 Ų | 55.8 | 35% | 0.351 | 29% | 0.289 | S | S | . | . | trans | 80.8 | 155 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113 | D133 W140 | D133-G137 CarbonylContact O-C 3.48Å; D133-G137 WeakPolarHBondContact O-CA 3.46Å; D133-G137 PolarHBondContact O-N 3.43Å; G137-W140 PolarHBondContact O-NE1 3Å | ||
| 138 | R | 93 | Very high | 95 | Very high | 186 Ų | 186 | 58.7 Ų | 58.7 | 70% | 0.702 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -78.5 | 157.5 | -177.1 | -65.7 | 178.9 | 179.1 | -161 | -1.2 | 111.5 | D133 K174 | D133-R138 HydrophobicContact CB-CG 3.74Å; R138-K174 WeakPolarHBondContact O-CE 3.45Å |
| 139 | A | 94.4 | Very high | 94.7 | Very high | 43 Ų | 43 | 62 Ų | 62 | 36% | 0.355 | 33% | 0.333 | S | S | . | . | cis | -117 | 121 | 1.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | K174 T175 | A139-K174 WeakPolarHBondContact O-CG 3.21Å; A139-T175 PolarHBondContact O-N 3.01Å | ||
| 140 | W | 96.7 | Very high | 94.2 | Very high | 6 Ų | 6 | 63.4 Ų | 63.4 | 2% | 0.023 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 147.6 | 179.6 | -71.1 | 81.8 | 0 | 0 | 0 | 113.1 | M97 K129 L132 D133 F136 G137 T159 I172 K174 | M97-W140 HydrophobicContact CE-CH2 3.32Å; M97-W140 HydrophobicContact CE-CZ2 4.45Å; M97-W140 HydrophobicContact CE-CZ3 3.51Å; K129-W140 WeakPolarHBondContact CE-O 3.19Å; K129-W140 HydrophobicContact CG-CB 4.48Å; K129-W140 WeakPolarHBondContact CG-O 3.27Å; K129-W140 PolarHBondContact NZ-O 3.4Å; L132-W140 HydrophobicContact CB-CB 3.87Å; L132-W140 HydrophobicContact CB-CD2 3.7Å; L132-W140 HydrophobicContact CB-CE3 4.28Å; L132-W140 HydrophobicContact CB-CG 3.47Å; L132-W140 VanDerWaalsContact CB-CG 3.47Å; L132-W140 HydrophobicContact CD1-CB 4.2Å; L132-W140 HydrophobicContact CD1-CD2 4.15Å; L132-W140 HydrophobicContact CD1-CE3 3.91Å; L132-W140 HydrophobicContact CD1-CG 4.28Å; L132-W140 HydrophobicContact CD2-CD2 4.26Å; L132-W140 HydrophobicContact CD2-CE3 4.14Å; L132-W140 HydrophobicContact CD2-CZ3 4.29Å; L132-W140 HydrophobicContact CG-CD2 4.26Å; L132-W140 HydrophobicContact CG-CE3 4.35Å; L132-W140 HydrophobicContact CG-CG 4.41Å; L132-W140 PolarHBondContact O-NE1 3.45Å; D133-W140 PolarHBondContact OD1-N 3.35Å; F136-W140 HydrophobicContact CB-CZ2 3.58Å; F136-W140 HydrophobicContact CD2-CZ2 4.07Å; F136-W140 HydrophobicContact CG-CZ2 4.17Å; G137-W140 PolarHBondContact O-NE1 3Å; W140-T159 HydrophobicContact CH2-CG2 4.47Å; W140-T159 VanDerWaalsContact CH2-O 3.29Å; W140-T159 WeakPolarHBondContact CH2-O 3.25Å; W140-T159 WeakPolarHBondContact CZ3-O 3.48Å; W140-I172 HydrophobicContact CE3-CG2 3.54Å; W140-I172 HydrophobicContact CZ3-CG2 3.72Å; W140-K174 HydrophobicContact CD2-CB 3.97Å; W140-K174 HydrophobicContact CD2-CG 4.23Å; W140-K174 HydrophobicContact CE3-CB 4.11Å; W140-K174 HydrophobicContact CG-CG 4.38Å; W140-K174 HydrophobicContact CH2-CB 4.25Å; W140-K174 HydrophobicContact CZ2-CB 4.11Å; W140-K174 HydrophobicContact CZ2-CD 4.1Å; W140-K174 HydrophobicContact CZ2-CG 4.43Å; W140-K174 HydrophobicContact CZ3-CB 4.27Å |
| 141 | H | 96.7 | Very high | 93.8 | Very high | 79 Ų | 79 | 61.7 Ų | 61.7 | 37% | 0.366 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 136.7 | 167.2 | -67.3 | -84.3 | 0 | 0 | 0 | 109.6 | I172 W173 T175 | H141-I172 WeakPolarHBondContact O-CA 3.47Å; H141-W173 HydrophobicContact CB-CD2 3.75Å; H141-W173 VanDerWaalsContact CB-CE2 3.4Å; H141-W173 HydrophobicContact CB-CE3 4.15Å; H141-W173 HydrophobicContact CB-CG 4.3Å; H141-W173 HydrophobicContact CB-CH2 3.97Å; H141-W173 HydrophobicContact CB-CZ2 3.54Å; H141-W173 HydrophobicContact CB-CZ3 4.24Å; H141-W173 AromaticContact CD2-CD1 3.99Å; H141-W173 AromaticContact CD2-CE2 3.98Å; H141-W173 AromaticContact CD2-NE1 3.44Å; H141-W173 PolarHBondContact CD2-NE1 3.28Å; H141-W173 AromaticContact CG-CE2 3.76Å; H141-W173 AromaticContact CG-CZ2 3.86Å; H141-W173 AromaticContact CG-NE1 3.71Å; H141-W173 PolarHBondContact N-O 3.09Å; H141-W173 PolarHBondContact O-N 2.95Å; H141-T175 PolarHBondContact CD2-OG1 3.23Å; H141-T175 PolarHBondContact NE2-OG1 3Å |
| 142 | V | 97.6 | Very high | 93.3 | Very high | 21 Ų | 21 | 65.7 Ų | 65.7 | 13% | 0.127 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 122.1 | 176.1 | -179.7 | 0 | 0 | 0 | 0 | 108.5 | A125 L128 K129 L132 V144 I172 | A125-V142 HydrophobicContact CB-CG1 4.05Å; L128-V142 HydrophobicContact CB-CG1 4.27Å; L128-V142 HydrophobicContact CD2-CG1 3.99Å; L128-V142 HydrophobicContact CG-CG1 4.38Å; L128-V142 HydrophobicContact CG-CG2 4.42Å; K129-V142 HydrophobicContact CB-CB 4.34Å; K129-V142 HydrophobicContact CB-CG2 3.87Å; L132-V142 HydrophobicContact CD1-CG2 3.44Å; L132-V142 VanDerWaalsContact CD1-CG2 3.44Å; V142-V144 HydrophobicContact CG1-CG2 4.3Å; V142-I172 HydrophobicContact CG1-CG1 4.34Å; V142-I172 HydrophobicContact CG2-CG1 4.37Å; V142-I172 HydrophobicContact CG2-CG2 4.31Å |
| 143 | T | 96.6 | Very high | 92.8 | Very high | 57 Ų | 57 | 68.5 Ų | 68.5 | 35% | 0.35 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 132.6 | 171.6 | -52 | 0 | 0 | 0 | 0 | 109.2 | V145 F170 I171 | T143-V145 HydrophobicContact CG2-CG2 3.73Å; T143-F170 WeakPolarHBondContact O-CA 3.37Å; T143-I171 HydrophobicContact CG2-CD1 4.39Å; T143-I171 PolarHBondContact N-O 2.94Å; T143-I171 PolarHBondContact O-N 2.74Å |
| 144 | V | 96.8 | Very high | 92.3 | Very high | 17 Ų | 17 | 73.3 Ų | 73.3 | 10% | 0.103 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 114.8 | 176.2 | -178.2 | 0 | 0 | 0 | 0 | 108.5 | K121 I124 A125 V142 L168 C169 F170 | K121-V144 HydrophobicContact CB-CB 4.32Å; K121-V144 HydrophobicContact CB-CG1 4.16Å; K121-V144 HydrophobicContact CD-CG1 4.34Å; K121-V144 HydrophobicContact CG-CG1 4.08Å; I124-V144 HydrophobicContact CG2-CG2 4.41Å; A125-V144 HydrophobicContact CB-CG2 3.85Å; V142-V144 HydrophobicContact CG1-CG2 4.3Å; V144-L168 HydrophobicContact CG1-CB 4.2Å; V144-L168 HydrophobicContact CG1-CD1 3.9Å; V144-L168 HydrophobicContact CG1-CD2 4.42Å; V144-L168 HydrophobicContact CG1-CG 4.41Å; V144-C169 WeakPolarHBondContact CA-O 2.9Å; V144-F170 HydrophobicContact CG1-CE1 4.27Å; V144-F170 HydrophobicContact CG1-CZ 4.32Å; V144-F170 HydrophobicContact CG2-CD1 3.73Å; V144-F170 HydrophobicContact CG2-CE1 3.71Å |
| 145 | V | 95 | Very high | 92 | Very high | 34 Ų | 34 | 67 Ų | 67 | 21% | 0.206 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 140.8 | -173.9 | -171.7 | 0 | 0 | 0 | 0 | 109.8 | T143 F149 L168 C169 I171 | T143-V145 HydrophobicContact CG2-CG2 3.73Å; V145-F149 HydrophobicContact CG1-CB 4.47Å; V145-F149 HydrophobicContact CG2-CB 4.41Å; V145-L168 CarbonylContact O-C 3.57Å; V145-L168 WeakPolarHBondContact O-CA 3.36Å; V145-C169 HydrophobicContact CB-CB 4.41Å; V145-C169 PolarHBondContact N-O 3.12Å; V145-C169 PolarHBondContact O-N 2.68Å; V145-I171 HydrophobicContact CG2-CD1 4.01Å |
| 146 | D | 93.3 | Very high | 91.9 | Very high | 103 Ų | 103 | 67.7 Ų | 67.7 | 55% | 0.551 | 41% | 0.41 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 102.2 | 167.2 | -175.4 | 1.9 | 0 | 0 | 0 | 107 | K121 L168 | K121-D146 HydrophobicContact CD-CB 4.37Å; D146-L168 HydrophobicContact CB-CD2 3.81Å |
| 147 | G | 89.6 | Confident | 91.9 | Very high | 40 Ų | 40 | 71.1 Ų | 71.1 | 41% | 0.412 | 43% | 0.434 | S | S | . | . | S | Bend | trans | 116.6 | -158.6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 148 | S | 88.9 | Confident | 91.9 | Very high | 127 Ų | 127 | 73.9 Ų | 73.9 | 89% | 0.888 | 44% | 0.441 | S | S | * | . | trans | -85.9 | 148.3 | -177 | -55.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 149 | F | 90.7 | Very high | 92 | Very high | 71 Ų | 71 | 65.6 Ų | 65.6 | 31% | 0.311 | 41% | 0.411 | S | S | . | . | trans | -140 | 162.1 | 176.2 | 67.7 | -87.2 | 0 | 0 | 0 | 110.4 | I93 V145 C169 I171 | I93-F149 HydrophobicContact CD1-CE1 4.34Å; I93-F149 HydrophobicContact CD1-CZ 4.44Å; V145-F149 HydrophobicContact CG1-CB 4.47Å; V145-F149 HydrophobicContact CG2-CB 4.41Å; F149-C169 HydrophobicContact CD1-CB 3.97Å; F149-C169 HydrophobicContact CE1-CB 3.67Å; F149-I171 HydrophobicContact CB-CD1 4.11Å; F149-I171 HydrophobicContact CD1-CD1 3.88Å; F149-I171 HydrophobicContact CD1-CG1 4.33Å; F149-I171 HydrophobicContact CD2-CD1 3.2Å; F149-I171 HydrophobicContact CD2-CG1 4Å; F149-I171 HydrophobicContact CE1-CD1 4.07Å; F149-I171 HydrophobicContact CE1-CG1 4.03Å; F149-I171 HydrophobicContact CE2-CD1 3.4Å; F149-I171 HydrophobicContact CE2-CG1 3.65Å; F149-I171 HydrophobicContact CE2-CG2 4.41Å; F149-I171 HydrophobicContact CG-CD1 3.45Å; F149-I171 VanDerWaalsContact CG-CD1 3.45Å; F149-I171 HydrophobicContact CG-CG1 4.31Å; F149-I171 HydrophobicContact CZ-CD1 3.83Å; F149-I171 HydrophobicContact CZ-CG1 3.67Å | ||
| 150 | A | 88.9 | Confident | 92.1 | Very high | 102 Ų | 102 | 63.8 Ų | 63.8 | 84% | 0.843 | 40% | 0.395 | S | S | * | . | trans | -135.5 | 139.6 | 166.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 151 | S | 88.3 | Confident | 92.2 | Very high | 64 Ų | 64 | 63.5 Ų | 63.5 | 45% | 0.448 | 39% | 0.394 | S | S | . | . | trans | -145.9 | 145.3 | -178.8 | -175.6 | 0 | 0 | 0 | 0 | 110.1 | H153 | S151-H153 PolarHBondContact OG-ND1 3Š| ||
| 152 | A | 87.2 | Confident | 92.2 | Very high | 105 Ų | 105 | 60.5 Ų | 60.5 | 87% | 0.868 | 38% | 0.381 | S | S | * | . | trans | -136 | 122.6 | 169 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 153 | H | 85.5 | Confident | 92.2 | Very high | 60 Ų | 60 | 59.5 Ų | 59.5 | 28% | 0.278 | 37% | 0.374 | S | S | . | . | trans | -151.7 | 164.9 | -176.9 | 49.5 | -83.8 | 0 | 0 | 0 | 110.5 | S151 E155 H162 W173 | S151-H153 PolarHBondContact OG-ND1 3Å; H153-E155 IonicContact CD2-OE2 3.82Å; H153-E155 PolarHBondContact CD2-OE2 2.74Å; H153-E155 VanDerWaalsContact CD2-OE2 3.24Å; H153-E155 IonicContact NE2-OE2 3.63Å; H153-E155 PolarHBondContact NE2-OE2 3.47Å; H153-H162 AromaticContact CE1-CE1 3.79Å; H153-H162 AromaticContact CE1-NE2 3.85Å; H153-H162 AromaticContact NE2-NE2 3.89Å; H153-W173 AromaticContact CD2-CD1 3.79Å; H153-W173 AromaticContact CD2-CD2 3.93Å; H153-W173 AromaticContact CD2-CG 3.65Å; H153-W173 AromaticContact NE2-CD2 3.92Å; H153-W173 AromaticContact NE2-CG 3.82Å | ||
| 154 | T | 85.8 | Confident | 92.2 | Very high | 119 Ų | 119 | 60.1 Ų | 60.1 | 73% | 0.73 | 37% | 0.372 | S | S | * | . | trans | -108.8 | 134.9 | 168.1 | -56.7 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 155 | E | 88.8 | Confident | 92.1 | Very high | 57 Ų | 57 | 59.4 Ų | 59.4 | 27% | 0.266 | 37% | 0.368 | S | S | . | . | trans | -133.5 | 158.7 | -171.5 | 56.6 | -166.2 | -163.7 | 0 | 0 | 110.7 | H153 S160 W173 K174 | H153-E155 IonicContact CD2-OE2 3.82Å; H153-E155 PolarHBondContact CD2-OE2 2.74Å; H153-E155 VanDerWaalsContact CD2-OE2 3.24Å; H153-E155 IonicContact NE2-OE2 3.63Å; H153-E155 PolarHBondContact NE2-OE2 3.47Å; E155-S160 WeakPolarHBondContact OE1-CB 3.35Å; E155-S160 PolarHBondContact OE1-OG 3.21Å; E155-S160 WeakPolarHBondContact OE2-CB 3.25Å; E155-W173 HydrophobicContact CB-CB 4.12Å; E155-W173 WeakPolarHBondContact OE2-CB 3.42Å; E155-K174 WeakPolarHBondContact CA-O 3.23Å | ||
| 156 | E | 91 | Very high | 91.8 | Very high | 60 Ų | 60 | 63.3 Ų | 63.3 | 28% | 0.28 | 38% | 0.382 | S | S | . | . | trans | -70.2 | 141.5 | 171 | -175.1 | 179.3 | 149.4 | 0 | 0 | 110 | T159 K174 | E156-T159 HydrophobicContact CB-CG2 3.96Å; E156-T159 WeakPolarHBondContact CB-OG1 3.47Å; E156-T159 HydrophobicContact CG-CG2 3.95Å; E156-T159 WeakPolarHBondContact O-CB 3.16Å; E156-T159 PolarHBondContact O-N 3.49Å; E156-T159 PolarHBondContact O-OG1 2.93Å; E156-K174 HydrophobicContact CB-CB 4.48Å; E156-K174 PolarHBondContact N-O 2.86Å; E156-K174 IonicContact OE1-NZ 2.69Å; E156-K174 PolarHBondContact OE1-NZ 2.83Å; E156-K174 VanDerWaalsContact OE2-CD 3.28Å; E156-K174 WeakPolarHBondContact OE2-CD 3.27Å; E156-K174 WeakPolarHBondContact OE2-CE 3.45Å; E156-K174 IonicContact OE2-NZ 3.15Å; E156-K174 PolarHBondContact OE2-NZ 3.11Å | ||
| 157 | V | 92.5 | Very high | 91.7 | Very high | 109 Ų | 109 | 64.3 Ų | 64.3 | 66% | 0.661 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | 139.2 | -176.9 | -174.4 | 0 | 0 | 0 | 0 | 111.1 | T159 | V157-T159 VanDerWaalsContact C-N 3.29Š|
| 158 | N | 93.5 | Very high | 92 | Very high | 91 Ų | 91 | 62.5 Ų | 62.5 | 49% | 0.487 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.6 | 24.9 | -175.8 | -49.8 | -59.7 | 0 | 0 | 0 | 114.3 | D96 | D96-N158 WeakPolarHBondContact OD1-CA 3.46Å; D96-N158 PolarHBondContact OD1-N 3.2Å; D96-N158 WeakPolarHBondContact OD2-CA 3.36Å; D96-N158 PolarHBondContact OD2-N 3.01Å |
| 159 | T | 94.9 | Very high | 92.4 | Very high | 13 Ų | 13 | 57.1 Ų | 57.1 | 8% | 0.08 | 33% | 0.33 | C | S | . | . | trans | -125.9 | 13.7 | -176.1 | 75 | 0 | 0 | 0 | 0 | 114.3 | D96 W140 E156 V157 W173 K174 | D96-T159 PolarHBondContact OD1-N 3.27Å; W140-T159 HydrophobicContact CH2-CG2 4.47Å; W140-T159 VanDerWaalsContact CH2-O 3.29Å; W140-T159 WeakPolarHBondContact CH2-O 3.25Å; W140-T159 WeakPolarHBondContact CZ3-O 3.48Å; E156-T159 HydrophobicContact CB-CG2 3.96Å; E156-T159 WeakPolarHBondContact CB-OG1 3.47Å; E156-T159 HydrophobicContact CG-CG2 3.95Å; E156-T159 WeakPolarHBondContact O-CB 3.16Å; E156-T159 PolarHBondContact O-N 3.49Å; E156-T159 PolarHBondContact O-OG1 2.93Å; V157-T159 VanDerWaalsContact C-N 3.29Å; T159-W173 WeakPolarHBondContact O-CA 3.41Å; T159-K174 HydrophobicContact CG2-CB 4.16Å; T159-K174 HydrophobicContact CG2-CD 4.08Å; T159-K174 PolarHBondContact O-N 3.04Å; T159-K174 VanDerWaalsContact OG1-CB 3.27Å; T159-K174 WeakPolarHBondContact OG1-CB 3.35Å | ||
| 160 | S | 96.3 | Very high | 92.7 | Very high | 4 Ų | 4 | 53.7 Ų | 53.7 | 3% | 0.028 | 32% | 0.316 | C | S | . | . | trans | -111 | 141.1 | 177.1 | 74.9 | 0 | 0 | 0 | 0 | 113.4 | G95 D96 M97 E155 I172 | G95-S160 CarbonylContact C-O 3.55Å; G95-S160 VanDerWaalsContact CA-O 3.25Å; G95-S160 WeakPolarHBondContact CA-O 3.36Å; G95-S160 WeakPolarHBondContact CA-OG 3.42Å; D96-S160 PolarHBondContact N-O 3.17Å; D96-S160 PolarHBondContact N-OG 3.14Å; D96-S160 PolarHBondContact OD1-N 3.36Å; D96-S160 PolarHBondContact OD1-OG 3.44Å; D96-S160 VanDerWaalsContact OD1-OG 3.12Å; M97-S160 WeakPolarHBondContact CB-O 3.49Å; M97-S160 PolarHBondContact N-O 2.83Å; E155-S160 WeakPolarHBondContact OE1-CB 3.35Å; E155-S160 PolarHBondContact OE1-OG 3.21Å; E155-S160 WeakPolarHBondContact OE2-CB 3.25Å; S160-I172 WeakPolarHBondContact CA-O 3.28Å | ||
| 161 | F | 97.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 113.7 | 178.4 | -174.7 | -148.2 | 0 | 0 | 0 | 111.7 | L86 Y92 M97 Q102 V105 T106 F163 I172 | L86-F161 HydrophobicContact CD2-CZ 4.33Å; Y92-F161 HydrophobicContact CD2-CD2 4.42Å; Y92-F161 AromaticContact CD2-CE2 3.87Å; Y92-F161 HydrophobicContact CD2-CE2 3.87Å; Y92-F161 HydrophobicContact CE2-CD2 4.35Å; Y92-F161 HydrophobicContact CE2-CE2 4.23Å; M97-F161 HydrophobicContact CB-CB 4.06Å; M97-F161 HydrophobicContact CE-CB 4.13Å; M97-F161 HydrophobicContact SD-CB 3.92Å; M97-F161 HydrophobicContact SD-CD1 4.09Å; M97-F161 HydrophobicContact SD-CG 4.3Å; Q102-F161 HydrophobicContact CB-CD1 4.11Å; Q102-F161 HydrophobicContact CB-CE1 3.66Å; Q102-F161 HydrophobicContact CB-CE2 4.14Å; Q102-F161 HydrophobicContact CB-CZ 3.69Å; Q102-F161 HydrophobicContact CG-CD1 4.03Å; Q102-F161 HydrophobicContact CG-CD2 3.89Å; Q102-F161 HydrophobicContact CG-CE1 4.01Å; Q102-F161 HydrophobicContact CG-CE2 3.88Å; Q102-F161 HydrophobicContact CG-CG 3.99Å; Q102-F161 HydrophobicContact CG-CZ 3.94Å; V105-F161 HydrophobicContact CB-CD1 4.26Å; V105-F161 HydrophobicContact CB-CE1 4.41Å; V105-F161 HydrophobicContact CG1-CD1 4.03Å; V105-F161 HydrophobicContact CG1-CE1 4.33Å; T106-F161 HydrophobicContact CG2-CE1 3.55Å; T106-F161 HydrophobicContact CG2-CZ 3.71Å; F161-F163 AromaticContact CD1-CD1 3.65Å; F161-F163 HydrophobicContact CD1-CD1 3.65Å; F161-F163 AromaticContact CD1-CE1 3.93Å; F161-F163 HydrophobicContact CD1-CE1 3.93Å; F161-F163 HydrophobicContact CD2-CD1 4.31Å; F161-F163 HydrophobicContact CE1-CB 4.47Å; F161-F163 AromaticContact CE1-CD1 3.31Å; F161-F163 HydrophobicContact CE1-CD1 3.31Å; F161-F163 AromaticContact CE1-CE1 3.7Å; F161-F163 HydrophobicContact CE1-CE1 3.7Å; F161-F163 HydrophobicContact CE1-CG 4.05Å; F161-F163 HydrophobicContact CE2-CB 3.85Å; F161-F163 HydrophobicContact CE2-CD1 4.01Å; F161-F163 HydrophobicContact CE2-CG 4.3Å; F161-F163 HydrophobicContact CG-CD1 4.13Å; F161-F163 HydrophobicContact CZ-CB 3.77Å; F161-F163 AromaticContact CZ-CD1 3.51Å; F161-F163 HydrophobicContact CZ-CD1 3.51Å; F161-F163 HydrophobicContact CZ-CE1 4.31Å; F161-F163 AromaticContact CZ-CG 3.82Å; F161-F163 HydrophobicContact CZ-CG 3.82Å; F161-I172 PolarHBondContact N-O 2.89Å; F161-I172 WeakPolarHBondContact O-CB 3.5Å; F161-I172 PolarHBondContact O-N 3.25Å; F161-I172 VanDerWaalsContact O-N 3.12Å |
| 162 | H | 97 | Very high | 93.5 | Very high | 16 Ų | 16 | 46.2 Ų | 46.2 | 7% | 0.074 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 125.7 | 174 | -55.8 | 168.4 | 0 | 0 | 0 | 109 | I93 S94 H153 F170 I171 | I93-H162 HydrophobicContact CB-CB 3.94Å; I93-H162 WeakPolarHBondContact CB-O 3.44Å; I93-H162 HydrophobicContact CG2-CB 4.25Å; I93-H162 PolarHBondContact N-O 2.89Å; S94-H162 PolarHBondContact N-O 3.01Å; S94-H162 WeakPolarHBondContact O-CA 3.42Å; S94-H162 WeakPolarHBondContact O-CB 3.24Å; S94-H162 PolarHBondContact O-N 2.88Å; S94-H162 PolarHBondContact OG-ND1 2.85Å; H153-H162 AromaticContact CE1-CE1 3.79Å; H153-H162 AromaticContact CE1-NE2 3.85Å; H153-H162 AromaticContact NE2-NE2 3.89Å; H162-F170 VanDerWaalsContact CA-O 3.27Å; H162-F170 WeakPolarHBondContact CA-O 3.01Å; H162-I171 VanDerWaalsContact CD2-CG2 3.47Å; H162-I171 WeakPolarHBondContact CD2-CG2 3.45Å; H162-I171 WeakPolarHBondContact NE2-CG2 3.47Å |
| 163 | F | 97.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 161.1 | 177.8 | 67.3 | -85.4 | 0 | 0 | 0 | 110.7 | I90 E91 V105 T106 A109 F161 M165 F170 I172 | I90-F163 HydrophobicContact CD1-CD2 4.21Å; I90-F163 HydrophobicContact CD1-CE2 4.33Å; I90-F163 HydrophobicContact CG2-CB 3.97Å; I90-F163 HydrophobicContact CG2-CD2 4.07Å; I90-F163 HydrophobicContact CG2-CG 4.29Å; E91-F163 CarbonylContact O-C 3.52Å; E91-F163 VanDerWaalsContact O-CA 3.28Å; E91-F163 WeakPolarHBondContact O-CA 3.33Å; V105-F163 HydrophobicContact CG1-CE1 4.11Å; T106-F163 HydrophobicContact CG2-CD1 4.27Å; T106-F163 HydrophobicContact CG2-CD2 4.02Å; T106-F163 HydrophobicContact CG2-CE1 4.21Å; T106-F163 HydrophobicContact CG2-CE2 3.97Å; T106-F163 HydrophobicContact CG2-CG 4.18Å; T106-F163 HydrophobicContact CG2-CZ 4.06Å; A109-F163 HydrophobicContact CB-CE2 4.32Å; A109-F163 HydrophobicContact CB-CZ 3.83Å; F161-F163 AromaticContact CD1-CD1 3.65Å; F161-F163 HydrophobicContact CD1-CD1 3.65Å; F161-F163 AromaticContact CD1-CE1 3.93Å; F161-F163 HydrophobicContact CD1-CE1 3.93Å; F161-F163 HydrophobicContact CD2-CD1 4.31Å; F161-F163 HydrophobicContact CE1-CB 4.47Å; F161-F163 AromaticContact CE1-CD1 3.31Å; F161-F163 HydrophobicContact CE1-CD1 3.31Å; F161-F163 AromaticContact CE1-CE1 3.7Å; F161-F163 HydrophobicContact CE1-CE1 3.7Å; F161-F163 HydrophobicContact CE1-CG 4.05Å; F161-F163 HydrophobicContact CE2-CB 3.85Å; F161-F163 HydrophobicContact CE2-CD1 4.01Å; F161-F163 HydrophobicContact CE2-CG 4.3Å; F161-F163 HydrophobicContact CG-CD1 4.13Å; F161-F163 HydrophobicContact CZ-CB 3.77Å; F161-F163 AromaticContact CZ-CD1 3.51Å; F161-F163 HydrophobicContact CZ-CD1 3.51Å; F161-F163 HydrophobicContact CZ-CE1 4.31Å; F161-F163 AromaticContact CZ-CG 3.82Å; F161-F163 HydrophobicContact CZ-CG 3.82Å; F163-M165 HydrophobicContact CD2-CB 4.35Å; F163-M165 HydrophobicContact CE2-CB 4.19Å; F163-F170 HydrophobicContact CD1-CB 3.93Å; F163-F170 HydrophobicContact CD2-CB 4.32Å; F163-F170 HydrophobicContact CD2-CD2 4.1Å; F163-F170 HydrophobicContact CD2-CG 4.45Å; F163-F170 HydrophobicContact CE1-CB 3.52Å; F163-F170 HydrophobicContact CE1-CG 4.05Å; F163-F170 HydrophobicContact CE2-CB 3.93Å; F163-F170 HydrophobicContact CE2-CD1 4.48Å; F163-F170 AromaticContact CE2-CD2 3.49Å; F163-F170 HydrophobicContact CE2-CD2 3.49Å; F163-F170 VanDerWaalsContact CE2-CD2 3.49Å; F163-F170 HydrophobicContact CE2-CE2 4.13Å; F163-F170 AromaticContact CE2-CG 3.72Å; F163-F170 HydrophobicContact CE2-CG 3.72Å; F163-F170 HydrophobicContact CG-CB 4.32Å; F163-F170 HydrophobicContact CZ-CB 3.51Å; F163-F170 AromaticContact CZ-CD1 3.98Å; F163-F170 HydrophobicContact CZ-CD1 3.98Å; F163-F170 AromaticContact CZ-CD2 3.8Å; F163-F170 HydrophobicContact CZ-CD2 3.8Å; F163-F170 AromaticContact CZ-CG 3.49Å; F163-F170 HydrophobicContact CZ-CG 3.49Å; F163-F170 VanDerWaalsContact CZ-CG 3.49Å; F163-F170 PolarHBondContact N-O 2.74Å; F163-F170 PolarHBondContact O-N 3.3Å; F163-I172 HydrophobicContact CE1-CD1 3.77Å |
| 164 | K | 96.5 | Very high | 94.4 | Very high | 71 Ų | 71 | 41 Ų | 41 | 31% | 0.309 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 136.1 | 172.3 | 174 | 178.1 | 165 | -151.2 | 0 | 109.5 | I90 E91 I93 K166 L168 | I90-K164 WeakPolarHBondContact CA-O 3.27Å; E91-K164 HydrophobicContact CB-CB 4.18Å; E91-K164 PolarHBondContact N-O 3.06Å; E91-K164 PolarHBondContact O-N 3.12Å; E91-K164 WeakPolarHBondContact OE2-CD 3.48Å; E91-K164 IonicContact OE2-NZ 3.35Å; E91-K164 PolarHBondContact OE2-NZ 2.79Å; I93-K164 HydrophobicContact CD1-CB 4.13Å; K164-K166 VanDerWaalsContact CE-O 3.27Å; K164-K166 WeakPolarHBondContact CE-O 3.32Å; K164-L168 VanDerWaalsContact CA-O 3.32Å; K164-L168 WeakPolarHBondContact CA-O 3.47Å |
| 165 | M | 94.7 | Very high | 94.7 | Very high | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.01 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 117.5 | 174.7 | -177.5 | -177.2 | 65.1 | 0 | 0 | 107.8 | I90 R110 Y113 F163 N167 L168 F170 | I90-M165 HydrophobicContact CD1-CB 3.81Å; I90-M165 HydrophobicContact CD1-CG 3.76Å; I90-M165 HydrophobicContact CD1-SD 3.98Å; R110-M165 HydrophobicContact CB-SD 3.91Å; R110-M165 HydrophobicContact CG-SD 4.19Å; Y113-M165 HydrophobicContact CD2-CE 4.03Å; Y113-M165 HydrophobicContact CG-CE 3.86Å; F163-M165 HydrophobicContact CD2-CB 4.35Å; F163-M165 HydrophobicContact CE2-CB 4.19Å; M165-N167 PolarHBondContact O-N 2.87Å; M165-L168 PolarHBondContact N-O 2.92Å; M165-L168 PolarHBondContact O-N 2.8Å; M165-L168 VanDerWaalsContact O-N 3.11Å; M165-F170 HydrophobicContact CB-CE2 4.1Å; M165-F170 HydrophobicContact CE-CE2 3.99Å; M165-F170 HydrophobicContact CE-CZ 3.96Å |
| 166 | K | 90.7 | Very high | 94.6 | Very high | 116 Ų | 116 | 37.2 Ų | 37.2 | 50% | 0.504 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | -117.4 | -170.3 | -57.3 | 177.1 | 174 | -177.9 | 0 | 110.9 | Y113 K164 | Y113-K166 HydrophobicContact CD1-CD 4.44Å; Y113-K166 HydrophobicContact CE1-CD 3.68Å; Y113-K166 VanDerWaalsContact CE1-NZ 3.34Å; Y113-K166 HydrophobicContact CE2-CD 4.46Å; K164-K166 VanDerWaalsContact CE-O 3.27Å; K164-K166 WeakPolarHBondContact CE-O 3.32Å |
| 167 | N | 90.8 | Very high | 94.1 | Very high | 123 Ų | 123 | 40.2 Ų | 40.2 | 66% | 0.658 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.8 | 3.1 | -179.1 | -63 | -9.5 | 0 | 0 | 0 | 112.9 | M165 | M165-N167 PolarHBondContact O-N 2.87Š|
| 168 | L | 95.3 | Very high | 92.8 | Very high | 3 Ų | 3 | 40.5 Ų | 40.5 | 2% | 0.016 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 133.1 | -176.2 | -61 | -178 | 0 | 0 | 0 | 111.5 | Y113 K121 V144 V145 D146 K164 M165 F170 | Y113-L168 HydrophobicContact CD2-CD1 3.85Å; Y113-L168 HydrophobicContact CE2-CD1 3.66Å; Y113-L168 HydrophobicContact CE2-CG 4.36Å; K121-L168 HydrophobicContact CD-CD2 3.94Å; K121-L168 HydrophobicContact CG-CD2 4.43Å; V144-L168 HydrophobicContact CG1-CB 4.2Å; V144-L168 HydrophobicContact CG1-CD1 3.9Å; V144-L168 HydrophobicContact CG1-CD2 4.42Å; V144-L168 HydrophobicContact CG1-CG 4.41Å; V145-L168 CarbonylContact O-C 3.57Å; V145-L168 WeakPolarHBondContact O-CA 3.36Å; D146-L168 HydrophobicContact CB-CD2 3.81Å; K164-L168 VanDerWaalsContact CA-O 3.32Å; K164-L168 WeakPolarHBondContact CA-O 3.47Å; M165-L168 PolarHBondContact N-O 2.92Å; M165-L168 PolarHBondContact O-N 2.8Å; M165-L168 VanDerWaalsContact O-N 3.11Å; L168-F170 HydrophobicContact CB-CD2 4.46Å; L168-F170 HydrophobicContact CB-CE2 3.8Å; L168-F170 HydrophobicContact CB-CZ 4.4Å |
| 169 | C | 96.6 | Very high | 91.2 | Very high | 13 Ų | 13 | 46.8 Ų | 46.8 | 9% | 0.088 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 128.2 | 169.6 | -64.4 | 0 | 0 | 0 | 0 | 109.3 | V144 V145 F149 | V144-C169 WeakPolarHBondContact CA-O 2.9Å; V145-C169 HydrophobicContact CB-CB 4.41Å; V145-C169 PolarHBondContact N-O 3.12Å; V145-C169 PolarHBondContact O-N 2.68Å; F149-C169 HydrophobicContact CD1-CB 3.97Å; F149-C169 HydrophobicContact CE1-CB 3.67Å |
| 170 | F | 97.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 123.4 | 175.5 | -67.2 | -102.2 | 0 | 0 | 0 | 108.3 | A109 I124 L128 T143 V144 H162 F163 M165 L168 I172 | A109-F170 HydrophobicContact CB-CD1 4.41Å; A109-F170 HydrophobicContact CB-CE1 4.05Å; A109-F170 HydrophobicContact CB-CZ 4.36Å; I124-F170 HydrophobicContact CG2-CE1 3.9Å; I124-F170 HydrophobicContact CG2-CZ 4.42Å; L128-F170 HydrophobicContact CD2-CD1 3.93Å; L128-F170 HydrophobicContact CD2-CE1 4.3Å; T143-F170 WeakPolarHBondContact O-CA 3.37Å; V144-F170 HydrophobicContact CG1-CE1 4.27Å; V144-F170 HydrophobicContact CG1-CZ 4.32Å; V144-F170 HydrophobicContact CG2-CD1 3.73Å; V144-F170 HydrophobicContact CG2-CE1 3.71Å; H162-F170 VanDerWaalsContact CA-O 3.27Å; H162-F170 WeakPolarHBondContact CA-O 3.01Å; F163-F170 HydrophobicContact CD1-CB 3.93Å; F163-F170 HydrophobicContact CD2-CB 4.32Å; F163-F170 HydrophobicContact CD2-CD2 4.1Å; F163-F170 HydrophobicContact CD2-CG 4.45Å; F163-F170 HydrophobicContact CE1-CB 3.52Å; F163-F170 HydrophobicContact CE1-CG 4.05Å; F163-F170 HydrophobicContact CE2-CB 3.93Å; F163-F170 HydrophobicContact CE2-CD1 4.48Å; F163-F170 AromaticContact CE2-CD2 3.49Å; F163-F170 HydrophobicContact CE2-CD2 3.49Å; F163-F170 VanDerWaalsContact CE2-CD2 3.49Å; F163-F170 HydrophobicContact CE2-CE2 4.13Å; F163-F170 AromaticContact CE2-CG 3.72Å; F163-F170 HydrophobicContact CE2-CG 3.72Å; F163-F170 HydrophobicContact CG-CB 4.32Å; F163-F170 HydrophobicContact CZ-CB 3.51Å; F163-F170 AromaticContact CZ-CD1 3.98Å; F163-F170 HydrophobicContact CZ-CD1 3.98Å; F163-F170 AromaticContact CZ-CD2 3.8Å; F163-F170 HydrophobicContact CZ-CD2 3.8Å; F163-F170 AromaticContact CZ-CG 3.49Å; F163-F170 HydrophobicContact CZ-CG 3.49Å; F163-F170 VanDerWaalsContact CZ-CG 3.49Å; F163-F170 PolarHBondContact N-O 2.74Å; F163-F170 PolarHBondContact O-N 3.3Å; M165-F170 HydrophobicContact CB-CE2 4.1Å; M165-F170 HydrophobicContact CE-CE2 3.99Å; M165-F170 HydrophobicContact CE-CZ 3.96Å; L168-F170 HydrophobicContact CB-CD2 4.46Å; L168-F170 HydrophobicContact CB-CE2 3.8Å; L168-F170 HydrophobicContact CB-CZ 4.4Å; F170-I172 HydrophobicContact CB-CD1 4.44Å |
| 171 | I | 96.8 | Very high | 86.2 | Confident | 8 Ų | 8 | 66.4 Ų | 66.4 | 4% | 0.041 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 110.9 | 179.6 | -45.1 | 166.9 | 0 | 0 | 0 | 106.2 | T143 V145 F149 H162 W173 | T143-I171 HydrophobicContact CG2-CD1 4.39Å; T143-I171 PolarHBondContact N-O 2.94Å; T143-I171 PolarHBondContact O-N 2.74Å; V145-I171 HydrophobicContact CG2-CD1 4.01Å; F149-I171 HydrophobicContact CB-CD1 4.11Å; F149-I171 HydrophobicContact CD1-CD1 3.88Å; F149-I171 HydrophobicContact CD1-CG1 4.33Å; F149-I171 HydrophobicContact CD2-CD1 3.2Å; F149-I171 HydrophobicContact CD2-CG1 4Å; F149-I171 HydrophobicContact CE1-CD1 4.07Å; F149-I171 HydrophobicContact CE1-CG1 4.03Å; F149-I171 HydrophobicContact CE2-CD1 3.4Å; F149-I171 HydrophobicContact CE2-CG1 3.65Å; F149-I171 HydrophobicContact CE2-CG2 4.41Å; F149-I171 HydrophobicContact CG-CD1 3.45Å; F149-I171 VanDerWaalsContact CG-CD1 3.45Å; F149-I171 HydrophobicContact CG-CG1 4.31Å; F149-I171 HydrophobicContact CZ-CD1 3.83Å; F149-I171 HydrophobicContact CZ-CG1 3.67Å; H162-I171 VanDerWaalsContact CD2-CG2 3.47Å; H162-I171 WeakPolarHBondContact CD2-CG2 3.45Å; H162-I171 WeakPolarHBondContact NE2-CG2 3.47Å; I171-W173 HydrophobicContact CB-CZ3 4.1Å; I171-W173 HydrophobicContact CG2-CE3 3.79Å; I171-W173 HydrophobicContact CG2-CZ3 3.54Å |
| 172 | I | 97.3 | Very high | 85.6 | Confident | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 128.4 | -171.1 | -53.1 | 174 | 0 | 0 | 0 | 108.8 | V105 L128 L132 W140 H141 V142 S160 F161 F163 F170 | V105-I172 HydrophobicContact CG1-CD1 3.51Å; L128-I172 HydrophobicContact CD2-CD1 3.77Å; L132-I172 HydrophobicContact CD1-CD1 4.48Å; L132-I172 HydrophobicContact CD1-CG2 3.4Å; L132-I172 VanDerWaalsContact CD1-CG2 3.4Å; L132-I172 HydrophobicContact CD2-CG2 4.44Å; W140-I172 HydrophobicContact CE3-CG2 3.54Å; W140-I172 HydrophobicContact CZ3-CG2 3.72Å; H141-I172 WeakPolarHBondContact O-CA 3.47Å; V142-I172 HydrophobicContact CG1-CG1 4.34Å; V142-I172 HydrophobicContact CG2-CG1 4.37Å; V142-I172 HydrophobicContact CG2-CG2 4.31Å; S160-I172 WeakPolarHBondContact CA-O 3.28Å; F161-I172 PolarHBondContact N-O 2.89Å; F161-I172 WeakPolarHBondContact O-CB 3.5Å; F161-I172 PolarHBondContact O-N 3.25Å; F161-I172 VanDerWaalsContact O-N 3.12Å; F163-I172 HydrophobicContact CE1-CD1 3.77Å; F170-I172 HydrophobicContact CB-CD1 4.44Å |
| 173 | W | 96.1 | Very high | 85 | Confident | 37 Ų | 37 | 72.6 Ų | 72.6 | 14% | 0.14 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 157.2 | 174.4 | 68.3 | 97.6 | 0 | 0 | 0 | 110.5 | H141 H153 E155 T159 I171 | H141-W173 HydrophobicContact CB-CD2 3.75Å; H141-W173 VanDerWaalsContact CB-CE2 3.4Å; H141-W173 HydrophobicContact CB-CE3 4.15Å; H141-W173 HydrophobicContact CB-CG 4.3Å; H141-W173 HydrophobicContact CB-CH2 3.97Å; H141-W173 HydrophobicContact CB-CZ2 3.54Å; H141-W173 HydrophobicContact CB-CZ3 4.24Å; H141-W173 AromaticContact CD2-CD1 3.99Å; H141-W173 AromaticContact CD2-CE2 3.98Å; H141-W173 AromaticContact CD2-NE1 3.44Å; H141-W173 PolarHBondContact CD2-NE1 3.28Å; H141-W173 AromaticContact CG-CE2 3.76Å; H141-W173 AromaticContact CG-CZ2 3.86Å; H141-W173 AromaticContact CG-NE1 3.71Å; H141-W173 PolarHBondContact N-O 3.09Å; H141-W173 PolarHBondContact O-N 2.95Å; H153-W173 AromaticContact CD2-CD1 3.79Å; H153-W173 AromaticContact CD2-CD2 3.93Å; H153-W173 AromaticContact CD2-CG 3.65Å; H153-W173 AromaticContact NE2-CD2 3.92Å; H153-W173 AromaticContact NE2-CG 3.82Å; E155-W173 HydrophobicContact CB-CB 4.12Å; E155-W173 WeakPolarHBondContact OE2-CB 3.42Å; T159-W173 WeakPolarHBondContact O-CA 3.41Å; I171-W173 HydrophobicContact CB-CZ3 4.1Å; I171-W173 HydrophobicContact CG2-CE3 3.79Å; I171-W173 HydrophobicContact CG2-CZ3 3.54Å |
| 174 | K | 95.8 | Very high | 84.3 | Confident | 19 Ų | 19 | 76.6 Ų | 76.6 | 8% | 0.083 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 138.5 | 173.2 | -165 | -172.4 | 168.2 | -151.3 | 0 | 110.3 | R138 A139 W140 E155 E156 T159 | R138-K174 WeakPolarHBondContact O-CE 3.45Å; A139-K174 WeakPolarHBondContact O-CG 3.21Å; W140-K174 HydrophobicContact CD2-CB 3.97Å; W140-K174 HydrophobicContact CD2-CG 4.23Å; W140-K174 HydrophobicContact CE3-CB 4.11Å; W140-K174 HydrophobicContact CG-CG 4.38Å; W140-K174 HydrophobicContact CH2-CB 4.25Å; W140-K174 HydrophobicContact CZ2-CB 4.11Å; W140-K174 HydrophobicContact CZ2-CD 4.1Å; W140-K174 HydrophobicContact CZ2-CG 4.43Å; W140-K174 HydrophobicContact CZ3-CB 4.27Å; E155-K174 WeakPolarHBondContact CA-O 3.23Å; E156-K174 HydrophobicContact CB-CB 4.48Å; E156-K174 PolarHBondContact N-O 2.86Å; E156-K174 IonicContact OE1-NZ 2.69Å; E156-K174 PolarHBondContact OE1-NZ 2.83Å; E156-K174 VanDerWaalsContact OE2-CD 3.28Å; E156-K174 WeakPolarHBondContact OE2-CD 3.27Å; E156-K174 WeakPolarHBondContact OE2-CE 3.45Å; E156-K174 IonicContact OE2-NZ 3.15Å; E156-K174 PolarHBondContact OE2-NZ 3.11Å; T159-K174 HydrophobicContact CG2-CB 4.16Å; T159-K174 HydrophobicContact CG2-CD 4.08Å; T159-K174 PolarHBondContact O-N 3.04Å; T159-K174 VanDerWaalsContact OG1-CB 3.27Å; T159-K174 WeakPolarHBondContact OG1-CB 3.35Å |
| 175 | T | 92.7 | Very high | 83.6 | Confident | 49 Ų | 49 | 76.9 Ų | 76.9 | 30% | 0.301 | 39% | 0.385 | S | S | . | . | trans | -75.4 | 136.7 | 173 | -43.3 | 0 | 0 | 0 | 0 | 109.8 | A139 H141 D177 | A139-T175 PolarHBondContact O-N 3.01Å; H141-T175 PolarHBondContact CD2-OG1 3.23Å; H141-T175 PolarHBondContact NE2-OG1 3Å; T175-D177 PolarHBondContact O-N 3.24Å | ||
| 176 | P | 87.2 | Confident | 82.9 | Confident | 48 Ų | 48 | 81.6 Ų | 81.6 | 31% | 0.312 | 41% | 0.408 | S | S | . | . | trans | -55.5 | 136.5 | 170.5 | -22.3 | 32 | 0 | 0 | 0 | 111.3 | C178 | P176-C178 PolarHBondContact O-N 3.26Å; P176-C178 PolarHBondContact O-SG 2.93Å; P176-C178 VanDerWaalsContact O-SG 3.42Å | ||
| 177 | D | 79.8 | Confident | 82.4 | Confident | 122 Ų | 122 | 79.3 Ų | 79.3 | 65% | 0.652 | 40% | 0.402 | S | S | * | . | trans | -72.3 | 93.2 | 172.5 | -114.4 | -21.7 | 0 | 0 | 0 | 109 | T175 R179 | T175-D177 PolarHBondContact O-N 3.24Å; D177-R179 PolarHBondContact O-N 2.88Å | ||
| 178 | C | 64.6 | Low | 81.8 | Confident | 116 Ų | 116 | 76.2 Ų | 76.2 | 78% | 0.784 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | 21.6 | -178.8 | -51.8 | 0 | 0 | 0 | 0 | 114.2 | P176 | P176-C178 PolarHBondContact O-N 3.26Å; P176-C178 PolarHBondContact O-SG 2.93Å; P176-C178 VanDerWaalsContact O-SG 3.42Å |
| 179 | R | 60.5 | Low | 80.7 | Confident | 223 Ų | 223 | 81.8 Ų | 81.8 | 84% | 0.842 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | 2.3 | -172.8 | -80.7 | -172.7 | 177 | 176.8 | 0.8 | 115.7 | D177 | D177-R179 PolarHBondContact O-N 2.88Š|
| 180 | N | 44.5 | Very low | 79.4 | Confident | 159 Ų | 159 | 87.6 Ų | 87.6 | 85% | 0.85 | 44% | 0.439 | S | S | * | . | trans | -132.7 | 70.9 | 175 | -67.1 | -31.6 | 0 | 0 | 0 | 111.3 | ||||
| 181 | E | 40.4 | Very low | 77.8 | Confident | 270 Ų | 270 | 95.5 Ų | 95.5 | 100% | 1.262 | 48% | 0.479 | S | S | * | . | trans | -132.2 | 0 | 151.2 | -73.6 | -170.7 | 172.8 | 0 | 0 | 109.1 |
Retrieved 181 of 181 residues in 61.9 ms
(Link to these results)